Program PWSCF v.5.4.0 starts on 28Mar2017 at 17:16:37 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 144 processor cores Number of MPI processes: 72 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 72 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: ./SiO2.save/ 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: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 53 30 8 3324 1460 216 Max 54 31 9 3327 1480 226 Sum 3827 2207 627 239427 105875 15887 bravais-lattice index = 14 lattice parameter (alat) = 15.5235 a.u. unit-cell volume = 2430.7873 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 2 number of electrons = 64.00 number of Kohn-Sham states= 76 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 15.523504 celldm(2)= 0.615127 celldm(3)= 1.056376 celldm(4)= 0.005179 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 0.615127 0.000000 ) a(3) = ( 0.000000 0.005471 1.056362 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.625680 -0.008419 ) b(3) = ( 0.000000 0.000000 0.946645 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 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 O 6.00 15.99940 O( 1.00) Si 4.00 28.08550 Si( 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= 209 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047847 k( 2) = ( 0.0000000 0.0000000 0.0249117), wk = 0.0047847 k( 3) = ( 0.0000000 0.0000000 0.0498234), wk = 0.0047847 k( 4) = ( 0.0000000 0.0000000 0.0747351), wk = 0.0047847 k( 5) = ( 0.0000000 0.0000000 0.0996469), wk = 0.0047847 k( 6) = ( 0.0000000 0.0000000 0.1245586), wk = 0.0047847 k( 7) = ( 0.0000000 0.0000000 0.1494703), wk = 0.0047847 k( 8) = ( 0.0000000 0.0000000 0.1743820), wk = 0.0047847 k( 9) = ( 0.0000000 0.0000000 0.1992937), wk = 0.0047847 k( 10) = ( 0.0000000 0.0000000 0.2242054), wk = 0.0047847 k( 11) = ( 0.0000000 0.0000000 0.2491171), wk = 0.0047847 k( 12) = ( 0.0000000 0.0000000 0.2740288), wk = 0.0047847 k( 13) = ( 0.0000000 0.0000000 0.2989406), wk = 0.0047847 k( 14) = ( 0.0000000 0.0000000 0.3238523), wk = 0.0047847 k( 15) = ( 0.0000000 0.0000000 0.3487640), wk = 0.0047847 k( 16) = ( 0.0000000 0.0000000 0.3736757), wk = 0.0047847 k( 17) = ( 0.0000000 0.0000000 0.3985874), wk = 0.0047847 k( 18) = ( 0.0000000 0.0000000 0.4234991), wk = 0.0047847 k( 19) = ( 0.0000000 0.0000000 0.4484108), wk = 0.0047847 k( 20) = ( 0.0000000 0.0000000 0.4733226), wk = 0.0047847 k( 21) = ( 0.0000000 0.0000000 0.4733226), wk = 0.0047847 k( 22) = ( 0.0000000 0.0261423 0.4733226), wk = 0.0047847 k( 23) = ( 0.0000000 0.0522846 0.4733226), wk = 0.0047847 k( 24) = ( 0.0000000 0.0784268 0.4733226), wk = 0.0047847 k( 25) = ( 0.0000000 0.1045691 0.4733226), wk = 0.0047847 k( 26) = ( 0.0000000 0.1307114 0.4733226), wk = 0.0047847 k( 27) = ( 0.0000000 0.1568536 0.4733226), wk = 0.0047847 k( 28) = ( 0.0000000 0.1829959 0.4733226), wk = 0.0047847 k( 29) = ( 0.0000000 0.2091382 0.4733226), wk = 0.0047847 k( 30) = ( 0.0000000 0.2352805 0.4733226), wk = 0.0047847 k( 31) = ( 0.0000000 0.2614228 0.4733226), wk = 0.0047847 k( 32) = ( 0.0000000 0.2875650 0.4733226), wk = 0.0047847 k( 33) = ( 0.0000000 0.3137073 0.4733226), wk = 0.0047847 k( 34) = ( 0.0000000 0.3398496 0.4733226), wk = 0.0047847 k( 35) = ( 0.0000000 0.3659918 0.4733226), wk = 0.0047847 k( 36) = ( 0.0000000 0.3921341 0.4733226), wk = 0.0047847 k( 37) = ( 0.0000000 0.4182764 0.4733226), wk = 0.0047847 k( 38) = ( 0.0000000 0.4444187 0.4733226), wk = 0.0047847 k( 39) = ( 0.0000000 0.4705610 0.4733226), wk = 0.0047847 k( 40) = ( 0.0000000 0.4967032 0.4733226), wk = 0.0047847 k( 41) = ( 0.0000000 0.5228455 0.4733226), wk = 0.0047847 k( 42) = ( 0.0000000 0.5489878 0.4733226), wk = 0.0047847 k( 43) = ( 0.0000000 0.5751300 0.4733226), wk = 0.0047847 k( 44) = ( 0.0000000 0.6012723 0.4733226), wk = 0.0047847 k( 45) = ( 0.0000000 0.6274146 0.4733226), wk = 0.0047847 k( 46) = ( 0.0000000 0.6535569 0.4733226), wk = 0.0047847 k( 47) = ( 0.0000000 0.6796992 0.4733226), wk = 0.0047847 k( 48) = ( 0.0000000 0.7058414 0.4733226), wk = 0.0047847 k( 49) = ( 0.0000000 0.7319837 0.4733226), wk = 0.0047847 k( 50) = ( 0.0000000 0.7581260 0.4733226), wk = 0.0047847 k( 51) = ( 0.0000000 0.7842682 0.4733226), wk = 0.0047847 k( 52) = ( 0.0000000 0.8104105 0.4733226), wk = 0.0047847 k( 53) = ( 0.0000000 0.8104105 0.4733226), wk = 0.0047847 k( 54) = ( 0.0000000 0.8128400 0.4691129), wk = 0.0047847 k( 55) = ( 0.0000000 0.8128400 0.4691129), wk = 0.0047847 k( 56) = ( 0.0250000 0.8128400 0.4691129), wk = 0.0047847 k( 57) = ( 0.0500000 0.8128400 0.4691129), wk = 0.0047847 k( 58) = ( 0.0750000 0.8128400 0.4691129), wk = 0.0047847 k( 59) = ( 0.1000000 0.8128400 0.4691129), wk = 0.0047847 k( 60) = ( 0.1250000 0.8128400 0.4691129), wk = 0.0047847 k( 61) = ( 0.1500000 0.8128400 0.4691129), wk = 0.0047847 k( 62) = ( 0.1750000 0.8128400 0.4691129), wk = 0.0047847 k( 63) = ( 0.2000000 0.8128400 0.4691129), wk = 0.0047847 k( 64) = ( 0.2250000 0.8128400 0.4691129), wk = 0.0047847 k( 65) = ( 0.2500000 0.8128400 0.4691129), wk = 0.0047847 k( 66) = ( 0.2750000 0.8128400 0.4691129), wk = 0.0047847 k( 67) = ( 0.3000000 0.8128400 0.4691129), wk = 0.0047847 k( 68) = ( 0.3250000 0.8128400 0.4691129), wk = 0.0047847 k( 69) = ( 0.3500000 0.8128400 0.4691129), wk = 0.0047847 k( 70) = ( 0.3750000 0.8128400 0.4691129), wk = 0.0047847 k( 71) = ( 0.4000000 0.8128400 0.4691129), wk = 0.0047847 k( 72) = ( 0.4250000 0.8128400 0.4691129), wk = 0.0047847 k( 73) = ( 0.4500000 0.8128400 0.4691129), wk = 0.0047847 k( 74) = ( 0.4750000 0.8128400 0.4691129), wk = 0.0047847 k( 75) = ( 0.5000000 0.8128400 0.4691129), wk = 0.0047847 k( 76) = ( 0.5000000 0.8128400 0.4691129), wk = 0.0047847 k( 77) = ( 0.5000000 0.8152696 0.4649032), wk = 0.0047847 k( 78) = ( 0.5000000 0.8152696 0.4649032), wk = 0.0047847 k( 79) = ( 0.5000000 0.8151346 0.4388414), wk = 0.0047847 k( 80) = ( 0.5000000 0.8149996 0.4127796), wk = 0.0047847 k( 81) = ( 0.5000000 0.8148646 0.3867177), wk = 0.0047847 k( 82) = ( 0.5000000 0.8147297 0.3606559), wk = 0.0047847 k( 83) = ( 0.5000000 0.8145947 0.3345941), wk = 0.0047847 k( 84) = ( 0.5000000 0.8144597 0.3085323), wk = 0.0047847 k( 85) = ( 0.5000000 0.8143247 0.2824704), wk = 0.0047847 k( 86) = ( 0.5000000 0.8141898 0.2564086), wk = 0.0047847 k( 87) = ( 0.5000000 0.8140548 0.2303468), wk = 0.0047847 k( 88) = ( 0.5000000 0.8139198 0.2042849), wk = 0.0047847 k( 89) = ( 0.5000000 0.8137849 0.1782231), wk = 0.0047847 k( 90) = ( 0.5000000 0.8136499 0.1521613), wk = 0.0047847 k( 91) = ( 0.5000000 0.8135149 0.1260995), wk = 0.0047847 k( 92) = ( 0.5000000 0.8133799 0.1000376), wk = 0.0047847 k( 93) = ( 0.5000000 0.8132450 0.0739758), wk = 0.0047847 k( 94) = ( 0.5000000 0.8131100 0.0479140), wk = 0.0047847 k( 95) = ( 0.5000000 0.8129750 0.0218522), wk = 0.0047847 k( 96) = ( 0.5000000 0.8128400 -0.0042097), wk = 0.0047847 k( 97) = ( 0.5000000 0.8128400 -0.0042097), wk = 0.0047847 k( 98) = ( 0.4750000 0.8128400 -0.0042097), wk = 0.0047847 k( 99) = ( 0.4500000 0.8128400 -0.0042097), wk = 0.0047847 k( 100) = ( 0.4250000 0.8128400 -0.0042097), wk = 0.0047847 k( 101) = ( 0.4000000 0.8128400 -0.0042097), wk = 0.0047847 k( 102) = ( 0.3750000 0.8128400 -0.0042097), wk = 0.0047847 k( 103) = ( 0.3500000 0.8128400 -0.0042097), wk = 0.0047847 k( 104) = ( 0.3250000 0.8128400 -0.0042097), wk = 0.0047847 k( 105) = ( 0.3000000 0.8128400 -0.0042097), wk = 0.0047847 k( 106) = ( 0.2750000 0.8128400 -0.0042097), wk = 0.0047847 k( 107) = ( 0.2500000 0.8128400 -0.0042097), wk = 0.0047847 k( 108) = ( 0.2250000 0.8128400 -0.0042097), wk = 0.0047847 k( 109) = ( 0.2000000 0.8128400 -0.0042097), wk = 0.0047847 k( 110) = ( 0.1750000 0.8128400 -0.0042097), wk = 0.0047847 k( 111) = ( 0.1500000 0.8128400 -0.0042097), wk = 0.0047847 k( 112) = ( 0.1250000 0.8128400 -0.0042097), wk = 0.0047847 k( 113) = ( 0.1000000 0.8128400 -0.0042097), wk = 0.0047847 k( 114) = ( 0.0750000 0.8128400 -0.0042097), wk = 0.0047847 k( 115) = ( 0.0500000 0.8128400 -0.0042097), wk = 0.0047847 k( 116) = ( 0.0250000 0.8128400 -0.0042097), wk = 0.0047847 k( 117) = ( 0.0000000 0.8128400 -0.0042097), wk = 0.0047847 k( 118) = ( 0.0000000 0.8128400 -0.0042097), wk = 0.0047847 k( 119) = ( 0.0000000 0.8129750 0.0218522), wk = 0.0047847 k( 120) = ( 0.0000000 0.8131100 0.0479140), wk = 0.0047847 k( 121) = ( 0.0000000 0.8132450 0.0739758), wk = 0.0047847 k( 122) = ( 0.0000000 0.8133799 0.1000376), wk = 0.0047847 k( 123) = ( 0.0000000 0.8135149 0.1260995), wk = 0.0047847 k( 124) = ( 0.0000000 0.8136499 0.1521613), wk = 0.0047847 k( 125) = ( 0.0000000 0.8137849 0.1782231), wk = 0.0047847 k( 126) = ( 0.0000000 0.8139198 0.2042849), wk = 0.0047847 k( 127) = ( 0.0000000 0.8140548 0.2303468), wk = 0.0047847 k( 128) = ( 0.0000000 0.8141898 0.2564086), wk = 0.0047847 k( 129) = ( 0.0000000 0.8143247 0.2824704), wk = 0.0047847 k( 130) = ( 0.0000000 0.8144597 0.3085323), wk = 0.0047847 k( 131) = ( 0.0000000 0.8145947 0.3345941), wk = 0.0047847 k( 132) = ( 0.0000000 0.8147297 0.3606559), wk = 0.0047847 k( 133) = ( 0.0000000 0.8148646 0.3867177), wk = 0.0047847 k( 134) = ( 0.0000000 0.8149996 0.4127796), wk = 0.0047847 k( 135) = ( 0.0000000 0.8151346 0.4388414), wk = 0.0047847 k( 136) = ( 0.0000000 0.8152696 0.4649032), wk = 0.0047847 k( 137) = ( 0.5000000 0.8104105 0.4733226), wk = 0.0047847 k( 138) = ( 0.5000000 0.7842682 0.4733226), wk = 0.0047847 k( 139) = ( 0.5000000 0.7581260 0.4733226), wk = 0.0047847 k( 140) = ( 0.5000000 0.7319837 0.4733226), wk = 0.0047847 k( 141) = ( 0.5000000 0.7058414 0.4733226), wk = 0.0047847 k( 142) = ( 0.5000000 0.6796992 0.4733226), wk = 0.0047847 k( 143) = ( 0.5000000 0.6535569 0.4733226), wk = 0.0047847 k( 144) = ( 0.5000000 0.6274146 0.4733226), wk = 0.0047847 k( 145) = ( 0.5000000 0.6012723 0.4733226), wk = 0.0047847 k( 146) = ( 0.5000000 0.5751300 0.4733226), wk = 0.0047847 k( 147) = ( 0.5000000 0.5489878 0.4733226), wk = 0.0047847 k( 148) = ( 0.5000000 0.5228455 0.4733226), wk = 0.0047847 k( 149) = ( 0.5000000 0.4967032 0.4733226), wk = 0.0047847 k( 150) = ( 0.5000000 0.4705610 0.4733226), wk = 0.0047847 k( 151) = ( 0.5000000 0.4444187 0.4733226), wk = 0.0047847 k( 152) = ( 0.5000000 0.4182764 0.4733226), wk = 0.0047847 k( 153) = ( 0.5000000 0.3921341 0.4733226), wk = 0.0047847 k( 154) = ( 0.5000000 0.3659918 0.4733226), wk = 0.0047847 k( 155) = ( 0.5000000 0.3398496 0.4733226), wk = 0.0047847 k( 156) = ( 0.5000000 0.3137073 0.4733226), wk = 0.0047847 k( 157) = ( 0.5000000 0.2875650 0.4733226), wk = 0.0047847 k( 158) = ( 0.5000000 0.2614228 0.4733226), wk = 0.0047847 k( 159) = ( 0.5000000 0.2352805 0.4733226), wk = 0.0047847 k( 160) = ( 0.5000000 0.2091382 0.4733226), wk = 0.0047847 k( 161) = ( 0.5000000 0.1829959 0.4733226), wk = 0.0047847 k( 162) = ( 0.5000000 0.1568536 0.4733226), wk = 0.0047847 k( 163) = ( 0.5000000 0.1307114 0.4733226), wk = 0.0047847 k( 164) = ( 0.5000000 0.1045691 0.4733226), wk = 0.0047847 k( 165) = ( 0.5000000 0.0784268 0.4733226), wk = 0.0047847 k( 166) = ( 0.5000000 0.0522846 0.4733226), wk = 0.0047847 k( 167) = ( 0.5000000 0.0261423 0.4733226), wk = 0.0047847 k( 168) = ( 0.5000000 -0.0000000 0.4733226), wk = 0.0047847 k( 169) = ( 0.5000000 -0.0000000 0.4733226), wk = 0.0047847 k( 170) = ( 0.5000000 -0.0000000 0.4484108), wk = 0.0047847 k( 171) = ( 0.5000000 -0.0000000 0.4234991), wk = 0.0047847 k( 172) = ( 0.5000000 -0.0000000 0.3985874), wk = 0.0047847 k( 173) = ( 0.5000000 -0.0000000 0.3736757), wk = 0.0047847 k( 174) = ( 0.5000000 -0.0000000 0.3487640), wk = 0.0047847 k( 175) = ( 0.5000000 -0.0000000 0.3238523), wk = 0.0047847 k( 176) = ( 0.5000000 -0.0000000 0.2989406), wk = 0.0047847 k( 177) = ( 0.5000000 -0.0000000 0.2740288), wk = 0.0047847 k( 178) = ( 0.5000000 -0.0000000 0.2491171), wk = 0.0047847 k( 179) = ( 0.5000000 -0.0000000 0.2242054), wk = 0.0047847 k( 180) = ( 0.5000000 -0.0000000 0.1992937), wk = 0.0047847 k( 181) = ( 0.5000000 -0.0000000 0.1743820), wk = 0.0047847 k( 182) = ( 0.5000000 -0.0000000 0.1494703), wk = 0.0047847 k( 183) = ( 0.5000000 -0.0000000 0.1245586), wk = 0.0047847 k( 184) = ( 0.5000000 -0.0000000 0.0996469), wk = 0.0047847 k( 185) = ( 0.5000000 -0.0000000 0.0747351), wk = 0.0047847 k( 186) = ( 0.5000000 -0.0000000 0.0498234), wk = 0.0047847 k( 187) = ( 0.5000000 -0.0000000 0.0249117), wk = 0.0047847 k( 188) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0047847 k( 189) = ( 0.0000000 0.0000000 0.4733226), wk = 0.0047847 k( 190) = ( 0.0250000 -0.0000000 0.4733226), wk = 0.0047847 k( 191) = ( 0.0500000 -0.0000000 0.4733226), wk = 0.0047847 k( 192) = ( 0.0750000 -0.0000000 0.4733226), wk = 0.0047847 k( 193) = ( 0.1000000 -0.0000000 0.4733226), wk = 0.0047847 k( 194) = ( 0.1250000 -0.0000000 0.4733226), wk = 0.0047847 k( 195) = ( 0.1500000 -0.0000000 0.4733226), wk = 0.0047847 k( 196) = ( 0.1750000 -0.0000000 0.4733226), wk = 0.0047847 k( 197) = ( 0.2000000 -0.0000000 0.4733226), wk = 0.0047847 k( 198) = ( 0.2250000 -0.0000000 0.4733226), wk = 0.0047847 k( 199) = ( 0.2500000 -0.0000000 0.4733226), wk = 0.0047847 k( 200) = ( 0.2750000 -0.0000000 0.4733226), wk = 0.0047847 k( 201) = ( 0.3000000 -0.0000000 0.4733226), wk = 0.0047847 k( 202) = ( 0.3250000 -0.0000000 0.4733226), wk = 0.0047847 k( 203) = ( 0.3500000 -0.0000000 0.4733226), wk = 0.0047847 k( 204) = ( 0.3750000 -0.0000000 0.4733226), wk = 0.0047847 k( 205) = ( 0.4000000 -0.0000000 0.4733226), wk = 0.0047847 k( 206) = ( 0.4250000 -0.0000000 0.4733226), wk = 0.0047847 k( 207) = ( 0.4500000 -0.0000000 0.4733226), wk = 0.0047847 k( 208) = ( 0.4750000 -0.0000000 0.4733226), wk = 0.0047847 k( 209) = ( 0.5000000 -0.0000000 0.4733226), wk = 0.0047847 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0047847 k( 2) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0047847 k( 3) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0047847 k( 4) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0047847 k( 5) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0047847 k( 6) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0047847 k( 7) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0047847 k( 8) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0047847 k( 9) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0047847 k( 10) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0047847 k( 11) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0047847 k( 12) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0047847 k( 13) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0047847 k( 14) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0047847 k( 15) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0047847 k( 16) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0047847 k( 17) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0047847 k( 18) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0047847 k( 19) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0047847 k( 20) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0047847 k( 21) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0047847 k( 22) = ( 0.0000000 0.0160808 0.5001430), wk = 0.0047847 k( 23) = ( 0.0000000 0.0321616 0.5002860), wk = 0.0047847 k( 24) = ( 0.0000000 0.0482425 0.5004291), wk = 0.0047847 k( 25) = ( 0.0000000 0.0643233 0.5005721), wk = 0.0047847 k( 26) = ( 0.0000000 0.0804041 0.5007151), wk = 0.0047847 k( 27) = ( 0.0000000 0.0964849 0.5008581), wk = 0.0047847 k( 28) = ( 0.0000000 0.1125658 0.5010011), wk = 0.0047847 k( 29) = ( 0.0000000 0.1286466 0.5011442), wk = 0.0047847 k( 30) = ( 0.0000000 0.1447274 0.5012872), wk = 0.0047847 k( 31) = ( 0.0000000 0.1608082 0.5014302), wk = 0.0047847 k( 32) = ( 0.0000000 0.1768891 0.5015732), wk = 0.0047847 k( 33) = ( 0.0000000 0.1929699 0.5017163), wk = 0.0047847 k( 34) = ( 0.0000000 0.2090507 0.5018593), wk = 0.0047847 k( 35) = ( 0.0000000 0.2251315 0.5020023), wk = 0.0047847 k( 36) = ( 0.0000000 0.2412124 0.5021453), wk = 0.0047847 k( 37) = ( 0.0000000 0.2572932 0.5022883), wk = 0.0047847 k( 38) = ( 0.0000000 0.2733740 0.5024314), wk = 0.0047847 k( 39) = ( 0.0000000 0.2894548 0.5025744), wk = 0.0047847 k( 40) = ( 0.0000000 0.3055356 0.5027174), wk = 0.0047847 k( 41) = ( 0.0000000 0.3216165 0.5028604), wk = 0.0047847 k( 42) = ( 0.0000000 0.3376973 0.5030034), wk = 0.0047847 k( 43) = ( 0.0000000 0.3537781 0.5031465), wk = 0.0047847 k( 44) = ( 0.0000000 0.3698590 0.5032895), wk = 0.0047847 k( 45) = ( 0.0000000 0.3859398 0.5034325), wk = 0.0047847 k( 46) = ( 0.0000000 0.4020206 0.5035755), wk = 0.0047847 k( 47) = ( 0.0000000 0.4181014 0.5037185), wk = 0.0047847 k( 48) = ( 0.0000000 0.4341822 0.5038616), wk = 0.0047847 k( 49) = ( 0.0000000 0.4502631 0.5040046), wk = 0.0047847 k( 50) = ( 0.0000000 0.4663439 0.5041476), wk = 0.0047847 k( 51) = ( 0.0000000 0.4824247 0.5042906), wk = 0.0047847 k( 52) = ( 0.0000000 0.4985055 0.5044336), wk = 0.0047847 k( 53) = ( 0.0000000 0.4985055 0.5044336), wk = 0.0047847 k( 54) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0047847 k( 55) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0047847 k( 56) = ( 0.0250000 0.5000000 0.5000000), wk = 0.0047847 k( 57) = ( 0.0500000 0.5000000 0.5000000), wk = 0.0047847 k( 58) = ( 0.0750000 0.5000000 0.5000000), wk = 0.0047847 k( 59) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0047847 k( 60) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0047847 k( 61) = ( 0.1500000 0.5000000 0.5000000), wk = 0.0047847 k( 62) = ( 0.1750000 0.5000000 0.5000000), wk = 0.0047847 k( 63) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0047847 k( 64) = ( 0.2250000 0.5000000 0.5000000), wk = 0.0047847 k( 65) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0047847 k( 66) = ( 0.2750000 0.5000000 0.5000000), wk = 0.0047847 k( 67) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0047847 k( 68) = ( 0.3250000 0.5000000 0.5000000), wk = 0.0047847 k( 69) = ( 0.3500000 0.5000000 0.5000000), wk = 0.0047847 k( 70) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0047847 k( 71) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0047847 k( 72) = ( 0.4250000 0.5000000 0.5000000), wk = 0.0047847 k( 73) = ( 0.4500000 0.5000000 0.5000000), wk = 0.0047847 k( 74) = ( 0.4750000 0.5000000 0.5000000), wk = 0.0047847 k( 75) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0047847 k( 76) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0047847 k( 77) = ( 0.5000000 0.5014945 0.4955664), wk = 0.0047847 k( 78) = ( 0.5000000 0.5014945 0.4955664), wk = 0.0047847 k( 79) = ( 0.5000000 0.5014114 0.4680349), wk = 0.0047847 k( 80) = ( 0.5000000 0.5013284 0.4405034), wk = 0.0047847 k( 81) = ( 0.5000000 0.5012454 0.4129720), wk = 0.0047847 k( 82) = ( 0.5000000 0.5011624 0.3854405), wk = 0.0047847 k( 83) = ( 0.5000000 0.5010793 0.3579090), wk = 0.0047847 k( 84) = ( 0.5000000 0.5009963 0.3303776), wk = 0.0047847 k( 85) = ( 0.5000000 0.5009133 0.3028461), wk = 0.0047847 k( 86) = ( 0.5000000 0.5008303 0.2753146), wk = 0.0047847 k( 87) = ( 0.5000000 0.5007472 0.2477832), wk = 0.0047847 k( 88) = ( 0.5000000 0.5006642 0.2202517), wk = 0.0047847 k( 89) = ( 0.5000000 0.5005812 0.1927203), wk = 0.0047847 k( 90) = ( 0.5000000 0.5004981 0.1651888), wk = 0.0047847 k( 91) = ( 0.5000000 0.5004151 0.1376573), wk = 0.0047847 k( 92) = ( 0.5000000 0.5003321 0.1101259), wk = 0.0047847 k( 93) = ( 0.5000000 0.5002491 0.0825944), wk = 0.0047847 k( 94) = ( 0.5000000 0.5001661 0.0550629), wk = 0.0047847 k( 95) = ( 0.5000000 0.5000830 0.0275315), wk = 0.0047847 k( 96) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0047847 k( 97) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0047847 k( 98) = ( 0.4750000 0.5000000 0.0000000), wk = 0.0047847 k( 99) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0047847 k( 100) = ( 0.4250000 0.5000000 -0.0000000), wk = 0.0047847 k( 101) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0047847 k( 102) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0047847 k( 103) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0047847 k( 104) = ( 0.3250000 0.5000000 0.0000000), wk = 0.0047847 k( 105) = ( 0.3000000 0.5000000 0.0000000), wk = 0.0047847 k( 106) = ( 0.2750000 0.5000000 -0.0000000), wk = 0.0047847 k( 107) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0047847 k( 108) = ( 0.2250000 0.5000000 -0.0000000), wk = 0.0047847 k( 109) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0047847 k( 110) = ( 0.1750000 0.5000000 -0.0000000), wk = 0.0047847 k( 111) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0047847 k( 112) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0047847 k( 113) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0047847 k( 114) = ( 0.0750000 0.5000000 -0.0000000), wk = 0.0047847 k( 115) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0047847 k( 116) = ( 0.0250000 0.5000000 -0.0000000), wk = 0.0047847 k( 117) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0047847 k( 118) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0047847 k( 119) = ( 0.0000000 0.5000830 0.0275315), wk = 0.0047847 k( 120) = ( 0.0000000 0.5001661 0.0550629), wk = 0.0047847 k( 121) = ( 0.0000000 0.5002491 0.0825944), wk = 0.0047847 k( 122) = ( 0.0000000 0.5003321 0.1101259), wk = 0.0047847 k( 123) = ( 0.0000000 0.5004151 0.1376573), wk = 0.0047847 k( 124) = ( 0.0000000 0.5004981 0.1651888), wk = 0.0047847 k( 125) = ( 0.0000000 0.5005812 0.1927203), wk = 0.0047847 k( 126) = ( 0.0000000 0.5006642 0.2202517), wk = 0.0047847 k( 127) = ( 0.0000000 0.5007472 0.2477832), wk = 0.0047847 k( 128) = ( 0.0000000 0.5008303 0.2753146), wk = 0.0047847 k( 129) = ( 0.0000000 0.5009133 0.3028461), wk = 0.0047847 k( 130) = ( 0.0000000 0.5009963 0.3303776), wk = 0.0047847 k( 131) = ( 0.0000000 0.5010793 0.3579090), wk = 0.0047847 k( 132) = ( 0.0000000 0.5011624 0.3854405), wk = 0.0047847 k( 133) = ( 0.0000000 0.5012454 0.4129720), wk = 0.0047847 k( 134) = ( 0.0000000 0.5013284 0.4405034), wk = 0.0047847 k( 135) = ( 0.0000000 0.5014114 0.4680349), wk = 0.0047847 k( 136) = ( 0.0000000 0.5014945 0.4955664), wk = 0.0047847 k( 137) = ( 0.5000000 0.4985055 0.5044336), wk = 0.0047847 k( 138) = ( 0.5000000 0.4824247 0.5042906), wk = 0.0047847 k( 139) = ( 0.5000000 0.4663439 0.5041476), wk = 0.0047847 k( 140) = ( 0.5000000 0.4502631 0.5040046), wk = 0.0047847 k( 141) = ( 0.5000000 0.4341822 0.5038616), wk = 0.0047847 k( 142) = ( 0.5000000 0.4181014 0.5037185), wk = 0.0047847 k( 143) = ( 0.5000000 0.4020206 0.5035755), wk = 0.0047847 k( 144) = ( 0.5000000 0.3859398 0.5034325), wk = 0.0047847 k( 145) = ( 0.5000000 0.3698590 0.5032895), wk = 0.0047847 k( 146) = ( 0.5000000 0.3537781 0.5031465), wk = 0.0047847 k( 147) = ( 0.5000000 0.3376973 0.5030034), wk = 0.0047847 k( 148) = ( 0.5000000 0.3216165 0.5028604), wk = 0.0047847 k( 149) = ( 0.5000000 0.3055357 0.5027174), wk = 0.0047847 k( 150) = ( 0.5000000 0.2894548 0.5025744), wk = 0.0047847 k( 151) = ( 0.5000000 0.2733740 0.5024314), wk = 0.0047847 k( 152) = ( 0.5000000 0.2572932 0.5022883), wk = 0.0047847 k( 153) = ( 0.5000000 0.2412124 0.5021453), wk = 0.0047847 k( 154) = ( 0.5000000 0.2251315 0.5020023), wk = 0.0047847 k( 155) = ( 0.5000000 0.2090507 0.5018593), wk = 0.0047847 k( 156) = ( 0.5000000 0.1929699 0.5017163), wk = 0.0047847 k( 157) = ( 0.5000000 0.1768891 0.5015732), wk = 0.0047847 k( 158) = ( 0.5000000 0.1608082 0.5014302), wk = 0.0047847 k( 159) = ( 0.5000000 0.1447274 0.5012872), wk = 0.0047847 k( 160) = ( 0.5000000 0.1286466 0.5011442), wk = 0.0047847 k( 161) = ( 0.5000000 0.1125658 0.5010011), wk = 0.0047847 k( 162) = ( 0.5000000 0.0964849 0.5008581), wk = 0.0047847 k( 163) = ( 0.5000000 0.0804041 0.5007151), wk = 0.0047847 k( 164) = ( 0.5000000 0.0643233 0.5005721), wk = 0.0047847 k( 165) = ( 0.5000000 0.0482425 0.5004291), wk = 0.0047847 k( 166) = ( 0.5000000 0.0321616 0.5002860), wk = 0.0047847 k( 167) = ( 0.5000000 0.0160808 0.5001430), wk = 0.0047847 k( 168) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0047847 k( 169) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0047847 k( 170) = ( 0.5000000 0.0000000 0.4736842), wk = 0.0047847 k( 171) = ( 0.5000000 0.0000000 0.4473684), wk = 0.0047847 k( 172) = ( 0.5000000 0.0000000 0.4210526), wk = 0.0047847 k( 173) = ( 0.5000000 0.0000000 0.3947368), wk = 0.0047847 k( 174) = ( 0.5000000 0.0000000 0.3684211), wk = 0.0047847 k( 175) = ( 0.5000000 0.0000000 0.3421053), wk = 0.0047847 k( 176) = ( 0.5000000 0.0000000 0.3157895), wk = 0.0047847 k( 177) = ( 0.5000000 0.0000000 0.2894737), wk = 0.0047847 k( 178) = ( 0.5000000 0.0000000 0.2631579), wk = 0.0047847 k( 179) = ( 0.5000000 0.0000000 0.2368421), wk = 0.0047847 k( 180) = ( 0.5000000 0.0000000 0.2105263), wk = 0.0047847 k( 181) = ( 0.5000000 0.0000000 0.1842105), wk = 0.0047847 k( 182) = ( 0.5000000 0.0000000 0.1578947), wk = 0.0047847 k( 183) = ( 0.5000000 0.0000000 0.1315790), wk = 0.0047847 k( 184) = ( 0.5000000 0.0000000 0.1052632), wk = 0.0047847 k( 185) = ( 0.5000000 0.0000000 0.0789474), wk = 0.0047847 k( 186) = ( 0.5000000 0.0000000 0.0526316), wk = 0.0047847 k( 187) = ( 0.5000000 0.0000000 0.0263158), wk = 0.0047847 k( 188) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0047847 k( 189) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0047847 k( 190) = ( 0.0250000 -0.0000000 0.5000000), wk = 0.0047847 k( 191) = ( 0.0500000 -0.0000000 0.5000000), wk = 0.0047847 k( 192) = ( 0.0750000 -0.0000000 0.5000000), wk = 0.0047847 k( 193) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0047847 k( 194) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0047847 k( 195) = ( 0.1500000 -0.0000000 0.5000000), wk = 0.0047847 k( 196) = ( 0.1750000 -0.0000000 0.5000000), wk = 0.0047847 k( 197) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0047847 k( 198) = ( 0.2250000 0.0000000 0.5000000), wk = 0.0047847 k( 199) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0047847 k( 200) = ( 0.2750000 -0.0000000 0.5000000), wk = 0.0047847 k( 201) = ( 0.3000000 -0.0000000 0.5000000), wk = 0.0047847 k( 202) = ( 0.3250000 -0.0000000 0.5000000), wk = 0.0047847 k( 203) = ( 0.3500000 -0.0000000 0.5000000), wk = 0.0047847 k( 204) = ( 0.3750000 -0.0000000 0.5000000), wk = 0.0047847 k( 205) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0047847 k( 206) = ( 0.4250000 0.0000000 0.5000000), wk = 0.0047847 k( 207) = ( 0.4500000 0.0000000 0.5000000), wk = 0.0047847 k( 208) = ( 0.4750000 0.0000000 0.5000000), wk = 0.0047847 k( 209) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0047847 Dense grid: 239427 G-vectors FFT dimensions: ( 90, 60, 96) Smooth grid: 105875 G-vectors FFT dimensions: ( 72, 45, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.43 Mb ( 368, 76) NL pseudopotentials 0.70 Mb ( 184, 248) Each V/rho on FFT grid 0.16 Mb ( 10800) Each G-vector array 0.03 Mb ( 3326) G-vector shells 0.03 Mb ( 3280) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.71 Mb ( 368, 304) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.58 Mb ( 248, 2, 76) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./SiO2.save/charge-density.dat Starting wfc are 96 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.8 secs Computing kpt #: 2 total cpu time spent up to now is 6.9 secs Computing kpt #: 3 total cpu time spent up to now is 8.9 secs Computing kpt #: 4 total cpu time spent up to now is 10.9 secs Computing kpt #: 5 total cpu time spent up to now is 12.8 secs Computing kpt #: 6 total cpu time spent up to now is 14.9 secs Computing kpt #: 7 total cpu time spent up to now is 16.8 secs Computing kpt #: 8 total cpu time spent up to now is 18.8 secs Computing kpt #: 9 total cpu time spent up to now is 20.8 secs Computing kpt #: 10 total cpu time spent up to now is 22.8 secs Computing kpt #: 11 total cpu time spent up to now is 24.7 secs Computing kpt #: 12 total cpu time spent up to now is 26.7 secs Computing kpt #: 13 total cpu time spent up to now is 28.6 secs Computing kpt #: 14 total cpu time spent up to now is 30.7 secs Computing kpt #: 15 total cpu time spent up to now is 32.7 secs Computing kpt #: 16 total cpu time spent up to now is 34.7 secs Computing kpt #: 17 total cpu time spent up to now is 36.9 secs Computing kpt #: 18 total cpu time spent up to now is 39.1 secs Computing kpt #: 19 total cpu time spent up to now is 41.3 secs Computing kpt #: 20 total cpu time spent up to now is 43.6 secs Computing kpt #: 21 total cpu time spent up to now is 46.1 secs Computing kpt #: 22 total cpu time spent up to now is 48.3 secs Computing kpt #: 23 total cpu time spent up to now is 50.5 secs Computing kpt #: 24 total cpu time spent up to now is 52.7 secs Computing kpt #: 25 total cpu time spent up to now is 54.9 secs Computing kpt #: 26 total cpu time spent up to now is 57.2 secs Computing kpt #: 27 total cpu time spent up to now is 59.4 secs Computing kpt #: 28 total cpu time spent up to now is 61.5 secs Computing kpt #: 29 total cpu time spent up to now is 63.9 secs Computing kpt #: 30 total cpu time spent up to now is 66.1 secs Computing kpt #: 31 total cpu time spent up to now is 68.5 secs Computing kpt #: 32 total cpu time spent up to now is 71.0 secs Computing kpt #: 33 total cpu time spent up to now is 73.8 secs Computing kpt #: 34 total cpu time spent up to now is 76.8 secs Computing kpt #: 35 total cpu time spent up to now is 79.8 secs Computing kpt #: 36 total cpu time spent up to now is 83.5 secs Computing kpt #: 37 total cpu time spent up to now is 87.4 secs Computing kpt #: 38 total cpu time spent up to now is 91.4 secs Computing kpt #: 39 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 95.7 secs Computing kpt #: 40 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 100.4 secs Computing kpt #: 41 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 104.6 secs Computing kpt #: 42 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 108.8 secs Computing kpt #: 43 total cpu time spent up to now is 112.2 secs Computing kpt #: 44 total cpu time spent up to now is 114.9 secs Computing kpt #: 45 total cpu time spent up to now is 117.6 secs Computing kpt #: 46 total cpu time spent up to now is 120.0 secs Computing kpt #: 47 total cpu time spent up to now is 122.2 secs Computing kpt #: 48 total cpu time spent up to now is 124.4 secs Computing kpt #: 49 total cpu time spent up to now is 126.7 secs Computing kpt #: 50 total cpu time spent up to now is 128.9 secs Computing kpt #: 51 total cpu time spent up to now is 131.5 secs Computing kpt #: 52 total cpu time spent up to now is 133.8 secs Computing kpt #: 53 total cpu time spent up to now is 136.0 secs Computing kpt #: 54 total cpu time spent up to now is 138.3 secs Computing kpt #: 55 total cpu time spent up to now is 140.5 secs Computing kpt #: 56 total cpu time spent up to now is 142.7 secs Computing kpt #: 57 total cpu time spent up to now is 145.0 secs Computing kpt #: 58 total cpu time spent up to now is 147.0 secs Computing kpt #: 59 total cpu time spent up to now is 149.2 secs Computing kpt #: 60 total cpu time spent up to now is 151.4 secs Computing kpt #: 61 total cpu time spent up to now is 153.7 secs Computing kpt #: 62 total cpu time spent up to now is 156.0 secs Computing kpt #: 63 total cpu time spent up to now is 158.3 secs Computing kpt #: 64 total cpu time spent up to now is 160.5 secs Computing kpt #: 65 total cpu time spent up to now is 162.7 secs Computing kpt #: 66 total cpu time spent up to now is 164.9 secs Computing kpt #: 67 total cpu time spent up to now is 167.2 secs Computing kpt #: 68 total cpu time spent up to now is 169.1 secs Computing kpt #: 69 total cpu time spent up to now is 171.0 secs Computing kpt #: 70 total cpu time spent up to now is 172.9 secs Computing kpt #: 71 total cpu time spent up to now is 174.7 secs Computing kpt #: 72 total cpu time spent up to now is 176.6 secs Computing kpt #: 73 total cpu time spent up to now is 178.5 secs Computing kpt #: 74 total cpu time spent up to now is 180.4 secs Computing kpt #: 75 total cpu time spent up to now is 182.2 secs Computing kpt #: 76 total cpu time spent up to now is 184.0 secs Computing kpt #: 77 total cpu time spent up to now is 185.7 secs Computing kpt #: 78 total cpu time spent up to now is 187.5 secs Computing kpt #: 79 total cpu time spent up to now is 189.4 secs Computing kpt #: 80 total cpu time spent up to now is 191.1 secs Computing kpt #: 81 total cpu time spent up to now is 193.0 secs Computing kpt #: 82 total cpu time spent up to now is 194.7 secs Computing kpt #: 83 total cpu time spent up to now is 196.6 secs Computing kpt #: 84 total cpu time spent up to now is 198.3 secs Computing kpt #: 85 total cpu time spent up to now is 200.0 secs Computing kpt #: 86 total cpu time spent up to now is 201.7 secs Computing kpt #: 87 total cpu time spent up to now is 203.4 secs Computing kpt #: 88 total cpu time spent up to now is 205.1 secs Computing kpt #: 89 total cpu time spent up to now is 206.8 secs Computing kpt #: 90 total cpu time spent up to now is 208.5 secs Computing kpt #: 91 total cpu time spent up to now is 210.2 secs Computing kpt #: 92 total cpu time spent up to now is 212.0 secs Computing kpt #: 93 total cpu time spent up to now is 213.8 secs Computing kpt #: 94 total cpu time spent up to now is 215.6 secs Computing kpt #: 95 total cpu time spent up to now is 217.3 secs Computing kpt #: 96 total cpu time spent up to now is 219.1 secs Computing kpt #: 97 total cpu time spent up to now is 220.9 secs Computing kpt #: 98 total cpu time spent up to now is 222.8 secs Computing kpt #: 99 total cpu time spent up to now is 224.7 secs Computing kpt #: 100 total cpu time spent up to now is 226.4 secs Computing kpt #: 101 total cpu time spent up to now is 228.2 secs Computing kpt #: 102 total cpu time spent up to now is 230.1 secs Computing kpt #: 103 total cpu time spent up to now is 232.0 secs Computing kpt #: 104 total cpu time spent up to now is 233.9 secs Computing kpt #: 105 total cpu time spent up to now is 235.9 secs Computing kpt #: 106 total cpu time spent up to now is 237.9 secs Computing kpt #: 107 total cpu time spent up to now is 239.8 secs Computing kpt #: 108 total cpu time spent up to now is 241.8 secs Computing kpt #: 109 total cpu time spent up to now is 243.8 secs Computing kpt #: 110 total cpu time spent up to now is 245.7 secs Computing kpt #: 111 total cpu time spent up to now is 248.2 secs Computing kpt #: 112 total cpu time spent up to now is 250.1 secs Computing kpt #: 113 total cpu time spent up to now is 252.1 secs Computing kpt #: 114 total cpu time spent up to now is 254.2 secs Computing kpt #: 115 total cpu time spent up to now is 256.0 secs Computing kpt #: 116 total cpu time spent up to now is 257.7 secs Computing kpt #: 117 total cpu time spent up to now is 259.6 secs Computing kpt #: 118 total cpu time spent up to now is 261.3 secs Computing kpt #: 119 total cpu time spent up to now is 263.2 secs Computing kpt #: 120 total cpu time spent up to now is 265.1 secs Computing kpt #: 121 total cpu time spent up to now is 266.9 secs Computing kpt #: 122 total cpu time spent up to now is 268.7 secs Computing kpt #: 123 total cpu time spent up to now is 270.7 secs Computing kpt #: 124 total cpu time spent up to now is 272.6 secs Computing kpt #: 125 total cpu time spent up to now is 274.6 secs Computing kpt #: 126 total cpu time spent up to now is 276.5 secs Computing kpt #: 127 total cpu time spent up to now is 278.5 secs Computing kpt #: 128 total cpu time spent up to now is 280.6 secs Computing kpt #: 129 total cpu time spent up to now is 282.8 secs Computing kpt #: 130 total cpu time spent up to now is 285.0 secs Computing kpt #: 131 total cpu time spent up to now is 287.7 secs Computing kpt #: 132 total cpu time spent up to now is 289.6 secs Computing kpt #: 133 total cpu time spent up to now is 291.9 secs Computing kpt #: 134 total cpu time spent up to now is 294.1 secs Computing kpt #: 135 total cpu time spent up to now is 296.3 secs Computing kpt #: 136 total cpu time spent up to now is 298.5 secs Computing kpt #: 137 total cpu time spent up to now is 300.3 secs Computing kpt #: 138 total cpu time spent up to now is 302.2 secs Computing kpt #: 139 total cpu time spent up to now is 304.0 secs Computing kpt #: 140 total cpu time spent up to now is 305.8 secs Computing kpt #: 141 total cpu time spent up to now is 307.5 secs Computing kpt #: 142 total cpu time spent up to now is 309.3 secs Computing kpt #: 143 total cpu time spent up to now is 311.1 secs Computing kpt #: 144 total cpu time spent up to now is 312.8 secs Computing kpt #: 145 total cpu time spent up to now is 314.5 secs Computing kpt #: 146 total cpu time spent up to now is 316.3 secs Computing kpt #: 147 total cpu time spent up to now is 320.0 secs Computing kpt #: 148 total cpu time spent up to now is 321.7 secs Computing kpt #: 149 total cpu time spent up to now is 323.3 secs Computing kpt #: 150 total cpu time spent up to now is 325.0 secs Computing kpt #: 151 total cpu time spent up to now is 326.7 secs Computing kpt #: 152 total cpu time spent up to now is 328.2 secs Computing kpt #: 153 total cpu time spent up to now is 329.9 secs Computing kpt #: 154 total cpu time spent up to now is 331.5 secs Computing kpt #: 155 total cpu time spent up to now is 333.2 secs Computing kpt #: 156 total cpu time spent up to now is 334.9 secs Computing kpt #: 157 total cpu time spent up to now is 336.5 secs Computing kpt #: 158 total cpu time spent up to now is 338.0 secs Computing kpt #: 159 total cpu time spent up to now is 339.7 secs Computing kpt #: 160 total cpu time spent up to now is 341.2 secs Computing kpt #: 161 total cpu time spent up to now is 342.8 secs Computing kpt #: 162 total cpu time spent up to now is 344.7 secs Computing kpt #: 163 total cpu time spent up to now is 346.4 secs Computing kpt #: 164 total cpu time spent up to now is 347.9 secs Computing kpt #: 165 total cpu time spent up to now is 349.4 secs Computing kpt #: 166 total cpu time spent up to now is 350.9 secs Computing kpt #: 167 total cpu time spent up to now is 352.9 secs Computing kpt #: 168 total cpu time spent up to now is 354.4 secs Computing kpt #: 169 total cpu time spent up to now is 355.9 secs Computing kpt #: 170 total cpu time spent up to now is 357.4 secs Computing kpt #: 171 total cpu time spent up to now is 358.9 secs Computing kpt #: 172 total cpu time spent up to now is 360.4 secs Computing kpt #: 173 total cpu time spent up to now is 361.9 secs Computing kpt #: 174 total cpu time spent up to now is 363.4 secs Computing kpt #: 175 total cpu time spent up to now is 364.9 secs Computing kpt #: 176 total cpu time spent up to now is 366.3 secs Computing kpt #: 177 total cpu time spent up to now is 367.8 secs Computing kpt #: 178 total cpu time spent up to now is 369.3 secs Computing kpt #: 179 total cpu time spent up to now is 370.8 secs Computing kpt #: 180 total cpu time spent up to now is 372.3 secs Computing kpt #: 181 total cpu time spent up to now is 373.7 secs Computing kpt #: 182 total cpu time spent up to now is 375.2 secs Computing kpt #: 183 total cpu time spent up to now is 376.7 secs Computing kpt #: 184 total cpu time spent up to now is 378.1 secs Computing kpt #: 185 total cpu time spent up to now is 379.6 secs Computing kpt #: 186 total cpu time spent up to now is 381.1 secs Computing kpt #: 187 total cpu time spent up to now is 383.0 secs Computing kpt #: 188 total cpu time spent up to now is 384.5 secs Computing kpt #: 189 total cpu time spent up to now is 386.7 secs Computing kpt #: 190 total cpu time spent up to now is 388.9 secs Computing kpt #: 191 total cpu time spent up to now is 391.0 secs Computing kpt #: 192 total cpu time spent up to now is 393.1 secs Computing kpt #: 193 total cpu time spent up to now is 395.0 secs Computing kpt #: 194 total cpu time spent up to now is 396.8 secs Computing kpt #: 195 total cpu time spent up to now is 398.7 secs Computing kpt #: 196 total cpu time spent up to now is 400.5 secs Computing kpt #: 197 total cpu time spent up to now is 402.2 secs Computing kpt #: 198 total cpu time spent up to now is 403.9 secs Computing kpt #: 199 total cpu time spent up to now is 405.6 secs Computing kpt #: 200 total cpu time spent up to now is 407.3 secs Computing kpt #: 201 total cpu time spent up to now is 408.9 secs Computing kpt #: 202 total cpu time spent up to now is 411.5 secs Computing kpt #: 203 total cpu time spent up to now is 413.1 secs Computing kpt #: 204 total cpu time spent up to now is 414.8 secs Computing kpt #: 205 total cpu time spent up to now is 416.5 secs Computing kpt #: 206 total cpu time spent up to now is 418.1 secs Computing kpt #: 207 total cpu time spent up to now is 419.6 secs Computing kpt #: 208 total cpu time spent up to now is 421.1 secs Computing kpt #: 209 total cpu time spent up to now is 422.7 secs ethr = 1.56E-08, avg # of iterations = 35.1 total cpu time spent up to now is 422.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 13235 PWs) bands (ev): -23.1858 -23.1858 -23.1231 -23.1231 -20.6212 -20.6212 -20.4874 -20.4874 -17.7113 -17.7113 -17.7041 -17.7041 -17.1719 -17.1719 -17.1594 -17.1594 -12.8047 -12.8047 -12.0861 -12.0861 -9.8833 -9.8833 -8.8010 -8.8010 -7.5599 -7.5599 -7.3547 -7.3547 -7.1403 -7.1403 -7.0500 -7.0500 -6.0038 -6.0038 -5.5021 -5.5021 -5.1177 -5.1177 -4.6528 -4.6528 -4.3512 -4.3512 -4.2000 -4.2000 -3.9244 -3.9244 -3.2570 -3.2570 -3.1991 -3.1991 -3.1399 -3.1399 -2.5864 -2.5864 -2.4491 -2.4491 -2.4194 -2.4194 -2.2320 -2.2320 -2.2040 -2.2040 -2.1746 -2.1746 -2.0208 -2.0208 -2.0161 -2.0161 -0.9974 -0.9974 -0.8464 -0.8464 1.0679 1.0679 2.2940 2.2940 k = 0.0000 0.0000 0.0249 ( 13237 PWs) bands (ev): -23.1858 -23.1858 -23.1231 -23.1231 -20.6212 -20.6212 -20.4874 -20.4874 -17.7113 -17.7113 -17.7041 -17.7041 -17.1719 -17.1719 -17.1594 -17.1594 -12.8047 -12.8047 -12.0861 -12.0861 -9.8833 -9.8833 -8.8010 -8.8010 -7.5599 -7.5599 -7.3545 -7.3544 -7.1404 -7.1403 -7.0502 -7.0502 -6.0038 -6.0038 -5.5021 -5.5021 -5.1176 -5.1175 -4.6528 -4.6528 -4.3516 -4.3513 -4.2006 -4.2001 -3.9269 -3.9265 -3.2933 -3.2900 -3.1649 -3.1613 -3.1349 -3.1344 -2.5862 -2.5858 -2.4490 -2.4488 -2.4195 -2.4195 -2.2320 -2.2320 -2.2040 -2.2040 -2.1746 -2.1746 -2.0209 -2.0208 -2.0161 -2.0161 -1.0006 -1.0006 -0.8498 -0.8497 1.0691 1.0691 2.2953 2.2954 k = 0.0000 0.0000 0.0498 ( 13231 PWs) bands (ev): -23.1858 -23.1858 -23.1231 -23.1231 -20.6212 -20.6212 -20.4874 -20.4874 -17.7113 -17.7113 -17.7041 -17.7041 -17.1719 -17.1719 -17.1594 -17.1594 -12.8046 -12.8046 -12.0862 -12.0862 -9.8832 -9.8832 -8.8010 -8.8010 -7.5599 -7.5599 -7.3539 -7.3539 -7.1405 -7.1405 -7.0506 -7.0506 -6.0037 -6.0037 -5.5021 -5.5021 -5.1172 -5.1171 -4.6529 -4.6528 -4.3524 -4.3519 -4.2021 -4.2012 -3.9335 -3.9327 -3.3452 -3.3418 -3.1205 -3.1197 -3.1087 -3.1044 -2.5853 -2.5844 -2.4485 -2.4480 -2.4197 -2.4196 -2.2321 -2.2320 -2.2042 -2.2041 -2.1747 -2.1745 -2.0209 -2.0208 -2.0161 -2.0161 -1.0104 -1.0103 -0.8597 -0.8595 1.0727 1.0727 2.2993 2.2993 k = 0.0000 0.0000 0.0747 ( 13233 PWs) bands (ev): -23.1858 -23.1858 -23.1231 -23.1231 -20.6212 -20.6212 -20.4874 -20.4874 -17.7113 -17.7113 -17.7041 -17.7041 -17.1719 -17.1719 -17.1594 -17.1594 -12.8044 -12.8044 -12.0864 -12.0864 -9.8831 -9.8831 -8.8009 -8.8009 -7.5599 -7.5599 -7.3529 -7.3529 -7.1408 -7.1407 -7.0513 -7.0512 -6.0037 -6.0037 -5.5021 -5.5020 -5.1165 -5.1164 -4.6529 -4.6527 -4.3536 -4.3529 -4.2045 -4.2031 -3.9435 -3.9424 -3.3973 -3.3940 -3.0961 -3.0949 -3.0504 -3.0457 -2.5834 -2.5821 -2.4475 -2.4468 -2.4201 -2.4198 -2.2322 -2.2320 -2.2043 -2.2042 -2.1747 -2.1745 -2.0209 -2.0208 -2.0162 -2.0161 -1.0265 -1.0264 -0.8759 -0.8757 1.0786 1.0786 2.3058 2.3058 k = 0.0000 0.0000 0.0996 ( 13226 PWs) bands (ev): -23.1858 -23.1858 -23.1231 -23.1231 -20.6212 -20.6212 -20.4874 -20.4874 -17.7113 -17.7113 -17.7041 -17.7041 -17.1719 -17.1719 -17.1594 -17.1594 -12.8042 -12.8042 -12.0866 -12.0866 -9.8830 -9.8830 -8.8009 -8.8009 -7.5599 -7.5599 -7.3516 -7.3516 -7.1412 -7.1410 -7.0522 -7.0521 -6.0036 -6.0036 -5.5021 -5.5020 -5.1157 -5.1155 -4.6529 -4.6527 -4.3553 -4.3543 -4.2078 -4.2060 -3.9560 -3.9545 -3.4479 -3.4448 -3.0637 -3.0622 -2.9910 -2.9859 -2.5804 -2.5786 -2.4460 -2.4450 -2.4205 -2.4201 -2.2324 -2.2321 -2.2045 -2.2044 -2.1747 -2.1744 -2.0210 -2.0208 -2.0163 -2.0161 -1.0487 -1.0486 -0.8983 -0.8980 1.0865 1.0865 2.3145 2.3146 k = 0.0000 0.0000 0.1246 ( 13233 PWs) bands (ev): -23.1858 -23.1858 -23.1231 -23.1231 -20.6212 -20.6212 -20.4874 -20.4874 -17.7113 -17.7113 -17.7041 -17.7041 -17.1719 -17.1719 -17.1595 -17.1595 -12.8039 -12.8039 -12.0869 -12.0869 -9.8828 -9.8828 -8.8009 -8.8009 -7.5598 -7.5598 -7.3500 -7.3499 -7.1416 -7.1415 -7.0533 -7.0533 -6.0035 -6.0035 -5.5020 -5.5020 -5.1146 -5.1144 -4.6529 -4.6527 -4.3574 -4.3562 -4.2120 -4.2100 -3.9697 -3.9681 -3.4965 -3.4936 -3.0244 -3.0226 -2.9321 -2.9265 -2.5759 -2.5735 -2.4436 -2.4424 -2.4209 -2.4203 -2.2325 -2.2322 -2.2048 -2.2046 -2.1747 -2.1744 -2.0210 -2.0208 -2.0163 -2.0162 -1.0767 -1.0765 -0.9265 -0.9261 1.0961 1.0962 2.3254 2.3254 k = 0.0000 0.0000 0.1495 ( 13225 PWs) bands (ev): -23.1858 -23.1858 -23.1231 -23.1231 -20.6212 -20.6212 -20.4874 -20.4874 -17.7113 -17.7113 -17.7041 -17.7041 -17.1719 -17.1719 -17.1595 -17.1595 -12.8036 -12.8036 -12.0872 -12.0872 -9.8826 -9.8826 -8.8009 -8.8009 -7.5598 -7.5598 -7.3481 -7.3479 -7.1422 -7.1420 -7.0546 -7.0546 -6.0035 -6.0034 -5.5020 -5.5019 -5.1133 -5.1130 -4.6530 -4.6527 -4.3598 -4.3585 -4.2172 -4.2149 -3.9837 -3.9819 -3.5429 -3.5401 -2.9795 -2.9773 -2.8747 -2.8686 -2.5693 -2.5663 -2.4400 -2.4389 -2.4215 -2.4204 -2.2327 -2.2323 -2.2051 -2.2048 -2.1747 -2.1743 -2.0211 -2.0207 -2.0164 -2.0163 -1.1101 -1.1099 -0.9601 -0.9597 1.1073 1.1074 2.3380 2.3380 k = 0.0000 0.0000 0.1744 ( 13217 PWs) bands (ev): -23.1858 -23.1858 -23.1231 -23.1231 -20.6212 -20.6212 -20.4874 -20.4874 -17.7113 -17.7113 -17.7041 -17.7041 -17.1719 -17.1719 -17.1595 -17.1595 -12.8032 -12.8032 -12.0875 -12.0875 -9.8823 -9.8823 -8.8008 -8.8008 -7.5598 -7.5597 -7.3458 -7.3457 -7.1429 -7.1427 -7.0561 -7.0560 -6.0033 -6.0033 -5.5020 -5.5019 -5.1119 -5.1116 -4.6530 -4.6528 -4.3626 -4.3611 -4.2233 -4.2209 -3.9970 -3.9953 -3.5869 -3.5842 -2.9301 -2.9276 -2.8205 -2.8140 -2.5596 -2.5561 -2.4347 -2.4340 -2.4220 -2.4200 -2.2329 -2.2325 -2.2054 -2.2051 -2.1746 -2.1742 -2.0211 -2.0207 -2.0166 -2.0164 -1.1485 -1.1483 -0.9987 -0.9982 1.1196 1.1197 2.3520 2.3520 k = 0.0000 0.0000 0.1993 ( 13227 PWs) bands (ev): -23.1858 -23.1858 -23.1231 -23.1231 -20.6212 -20.6212 -20.4874 -20.4874 -17.7113 -17.7113 -17.7041 -17.7041 -17.1719 -17.1719 -17.1595 -17.1595 -12.8028 -12.8028 -12.0879 -12.0879 -9.8821 -9.8821 -8.8008 -8.8008 -7.5597 -7.5597 -7.3434 -7.3433 -7.1436 -7.1434 -7.0577 -7.0576 -6.0032 -6.0032 -5.5019 -5.5019 -5.1103 -5.1100 -4.6531 -4.6529 -4.3656 -4.3640 -4.2302 -4.2278 -4.0091 -4.0074 -3.6282 -3.6257 -2.8774 -2.8745 -2.7719 -2.7651 -2.5458 -2.5419 -2.4288 -2.4263 -2.4225 -2.4168 -2.2331 -2.2326 -2.2057 -2.2055 -2.1745 -2.1740 -2.0212 -2.0207 -2.0168 -2.0165 -1.1913 -1.1911 -1.0417 -1.0413 1.1327 1.1328 2.3670 2.3670 k = 0.0000 0.0000 0.2242 ( 13217 PWs) bands (ev): -23.1858 -23.1858 -23.1231 -23.1231 -20.6212 -20.6212 -20.4874 -20.4874 -17.7113 -17.7113 -17.7041 -17.7041 -17.1719 -17.1719 -17.1596 -17.1596 -12.8024 -12.8024 -12.0882 -12.0882 -9.8818 -9.8818 -8.8008 -8.8008 -7.5597 -7.5597 -7.3408 -7.3407 -7.1444 -7.1442 -7.0594 -7.0593 -6.0031 -6.0031 -5.5019 -5.5018 -5.1087 -5.1084 -4.6533 -4.6530 -4.3687 -4.3670 -4.2378 -4.2354 -4.0195 -4.0180 -3.6668 -3.6645 -2.8229 -2.8194 -2.7312 -2.7246 -2.5273 -2.5234 -2.4262 -2.4230 -2.4126 -2.4057 -2.2334 -2.2327 -2.2061 -2.2058 -2.1744 -2.1737 -2.0213 -2.0207 -2.0170 -2.0167 -1.2380 -1.2378 -1.0887 -1.0883 1.1462 1.1462 2.3826 2.3827 k = 0.0000 0.0000 0.2491 ( 13220 PWs) bands (ev): -23.1858 -23.1858 -23.1231 -23.1231 -20.6212 -20.6212 -20.4874 -20.4874 -17.7113 -17.7113 -17.7041 -17.7041 -17.1720 -17.1720 -17.1596 -17.1596 -12.8020 -12.8020 -12.0886 -12.0886 -9.8816 -9.8816 -8.8007 -8.8007 -7.5596 -7.5596 -7.3382 -7.3380 -7.1453 -7.1451 -7.0611 -7.0610 -6.0030 -6.0030 -5.5019 -5.5018 -5.1071 -5.1068 -4.6535 -4.6532 -4.3719 -4.3701 -4.2459 -4.2436 -4.0281 -4.0269 -3.7024 -3.7003 -2.7681 -2.7640 -2.6996 -2.6938 -2.5059 -2.5020 -2.4255 -2.4232 -2.3903 -2.3843 -2.2336 -2.2327 -2.2064 -2.2061 -2.1741 -2.1734 -2.0214 -2.0207 -2.0172 -2.0170 -1.2880 -1.2877 -1.1391 -1.1386 1.1597 1.1597 2.3984 2.3985 k = 0.0000 0.0000 0.2740 ( 13214 PWs) bands (ev): -23.1858 -23.1858 -23.1231 -23.1231 -20.6212 -20.6212 -20.4874 -20.4874 -17.7113 -17.7113 -17.7041 -17.7041 -17.1720 -17.1720 -17.1596 -17.1596 -12.8016 -12.8016 -12.0890 -12.0890 -9.8813 -9.8813 -8.8007 -8.8007 -7.5596 -7.5596 -7.3355 -7.3353 -7.1463 -7.1460 -7.0628 -7.0626 -6.0029 -6.0029 -5.5018 -5.5017 -5.1055 -5.1052 -4.6537 -4.6534 -4.3750 -4.3732 -4.2541 -4.2521 -4.0349 -4.0339 -3.7350 -3.7330 -2.7162 -2.7112 -2.6751 -2.6707 -2.4850 -2.4808 -2.4250 -2.4229 -2.3566 -2.3513 -2.2337 -2.2326 -2.2067 -2.2064 -2.1735 -2.1727 -2.0215 -2.0207 -2.0176 -2.0173 -1.3403 -1.3401 -1.1922 -1.1918 1.1728 1.1729 2.4141 2.4141 k = 0.0000 0.0000 0.2989 ( 13211 PWs) bands (ev): -23.1858 -23.1858 -23.1231 -23.1231 -20.6212 -20.6212 -20.4874 -20.4874 -17.7113 -17.7113 -17.7041 -17.7041 -17.1720 -17.1720 -17.1597 -17.1597 -12.8012 -12.8012 -12.0894 -12.0894 -9.8811 -9.8811 -8.8006 -8.8006 -7.5595 -7.5595 -7.3328 -7.3326 -7.1472 -7.1470 -7.0643 -7.0642 -6.0028 -6.0028 -5.5018 -5.5017 -5.1040 -5.1037 -4.6540 -4.6537 -4.3779 -4.3761 -4.2623 -4.2605 -4.0400 -4.0393 -3.7643 -3.7625 -2.6778 -2.6722 -2.6476 -2.6441 -2.4661 -2.4612 -2.4234 -2.4212 -2.3127 -2.3084 -2.2339 -2.2321 -2.2070 -2.2067 -2.1725 -2.1715 -2.0217 -2.0207 -2.0180 -2.0177 -1.3943 -1.3940 -1.2474 -1.2470 1.1854 1.1854 2.4290 2.4291 k = 0.0000 0.0000 0.3239 ( 13206 PWs) bands (ev): -23.1858 -23.1858 -23.1231 -23.1231 -20.6212 -20.6212 -20.4874 -20.4874 -17.7113 -17.7113 -17.7041 -17.7041 -17.1720 -17.1720 -17.1597 -17.1597 -12.8009 -12.8009 -12.0897 -12.0897 -9.8808 -9.8808 -8.8006 -8.8006 -7.5595 -7.5595 -7.3303 -7.3301 -7.1482 -7.1480 -7.0658 -7.0657 -6.0027 -6.0027 -5.5017 -5.5017 -5.1026 -5.1023 -4.6542 -4.6540 -4.3804 -4.3787 -4.2702 -4.2685 -4.0437 -4.0432 -3.7903 -3.7887 -2.6610 -2.6569 -2.6099 -2.6055 -2.4492 -2.4443 -2.4166 -2.4147 -2.2646 -2.2605 -2.2339 -2.2297 -2.2070 -2.2067 -2.1699 -2.1686 -2.0220 -2.0207 -2.0184 -2.0182 -1.4489 -1.4486 -1.3038 -1.3034 1.1969 1.1970 2.4430 2.4431 k = 0.0000 0.0000 0.3488 ( 13209 PWs) bands (ev): -23.1858 -23.1858 -23.1232 -23.1232 -20.6212 -20.6212 -20.4874 -20.4874 -17.7113 -17.7113 -17.7041 -17.7041 -17.1720 -17.1720 -17.1597 -17.1597 -12.8005 -12.8005 -12.0900 -12.0900 -9.8806 -9.8806 -8.8006 -8.8006 -7.5595 -7.5595 -7.3279 -7.3278 -7.1491 -7.1489 -7.0671 -7.0671 -6.0026 -6.0026 -5.5017 -5.5016 -5.1013 -5.1011 -4.6545 -4.6543 -4.3826 -4.3810 -4.2774 -4.2759 -4.0461 -4.0458 -3.8127 -3.8113 -2.6524 -2.6493 -2.5770 -2.5725 -2.4389 -2.4362 -2.3962 -2.3946 -2.2385 -2.2340 -2.2175 -2.2125 -2.2050 -2.2030 -2.1607 -2.1591 -2.0225 -2.0210 -2.0189 -2.0185 -1.5025 -1.5022 -1.3604 -1.3600 1.2072 1.2072 2.4556 2.4556 k = 0.0000 0.0000 0.3737 ( 13224 PWs) bands (ev): -23.1858 -23.1858 -23.1232 -23.1232 -20.6212 -20.6212 -20.4874 -20.4874 -17.7113 -17.7113 -17.7041 -17.7041 -17.1720 -17.1720 -17.1597 -17.1597 -12.8003 -12.8003 -12.0903 -12.0903 -9.8804 -9.8804 -8.8006 -8.8006 -7.5594 -7.5594 -7.3259 -7.3258 -7.1499 -7.1498 -7.0683 -7.0682 -6.0025 -6.0025 -5.5017 -5.5016 -5.1002 -5.1000 -4.6548 -4.6546 -4.3843 -4.3829 -4.2837 -4.2824 -4.0476 -4.0474 -3.8314 -3.8302 -2.6470 -2.6447 -2.5538 -2.5500 -2.4354 -2.4341 -2.3637 -2.3617 -2.2355 -2.2338 -2.2091 -2.2087 -2.1895 -2.1867 -2.1289 -2.1275 -2.0234 -2.0220 -2.0191 -2.0183 -1.5535 -1.5532 -1.4155 -1.4152 1.2160 1.2160 2.4664 2.4664 k = 0.0000 0.0000 0.3986 ( 13224 PWs) bands (ev): -23.1858 -23.1858 -23.1232 -23.1232 -20.6212 -20.6212 -20.4874 -20.4874 -17.7113 -17.7113 -17.7041 -17.7041 -17.1720 -17.1720 -17.1597 -17.1597 -12.8000 -12.8000 -12.0905 -12.0905 -9.8803 -9.8803 -8.8005 -8.8005 -7.5594 -7.5594 -7.3242 -7.3241 -7.1506 -7.1505 -7.0692 -7.0691 -6.0025 -6.0025 -5.5016 -5.5016 -5.0993 -5.0992 -4.6550 -4.6549 -4.3854 -4.3843 -4.2889 -4.2878 -4.0484 -4.0482 -3.8462 -3.8453 -2.6433 -2.6417 -2.5392 -2.5363 -2.4342 -2.4336 -2.3268 -2.3252 -2.2344 -2.2332 -2.2088 -2.2086 -2.1835 -2.1817 -2.0841 -2.0820 -2.0248 -2.0236 -2.0185 -2.0169 -1.5992 -1.5990 -1.4669 -1.4667 1.2230 1.2231 2.4751 2.4752 k = 0.0000 0.0000 0.4235 ( 13231 PWs) bands (ev): -23.1858 -23.1858 -23.1232 -23.1232 -20.6212 -20.6212 -20.4874 -20.4874 -17.7113 -17.7113 -17.7041 -17.7041 -17.1720 -17.1720 -17.1598 -17.1598 -12.7999 -12.7999 -12.0907 -12.0907 -9.8802 -9.8802 -8.8005 -8.8005 -7.5594 -7.5594 -7.3229 -7.3229 -7.1511 -7.1510 -7.0698 -7.0698 -6.0024 -6.0024 -5.5016 -5.5016 -5.0987 -5.0986 -4.6552 -4.6551 -4.3862 -4.3854 -4.2927 -4.2919 -4.0487 -4.0486 -3.8569 -3.8563 -2.6409 -2.6398 -2.5304 -2.5286 -2.4338 -2.4334 -2.2936 -2.2926 -2.2331 -2.2321 -2.2089 -2.2087 -2.1815 -2.1801 -2.0465 -2.0435 -2.0266 -2.0257 -2.0144 -2.0116 -1.6363 -1.6362 -1.5109 -1.5106 1.2282 1.2282 2.4816 2.4816 k = 0.0000 0.0000 0.4484 ( 13237 PWs) bands (ev): -23.1858 -23.1858 -23.1232 -23.1232 -20.6212 -20.6212 -20.4874 -20.4874 -17.7113 -17.7113 -17.7041 -17.7041 -17.1720 -17.1720 -17.1598 -17.1598 -12.7998 -12.7998 -12.0908 -12.0908 -9.8801 -9.8801 -8.8005 -8.8005 -7.5594 -7.5594 -7.3222 -7.3221 -7.1515 -7.1514 -7.0702 -7.0702 -6.0024 -6.0024 -5.5016 -5.5016 -5.0983 -5.0982 -4.6553 -4.6553 -4.3865 -4.3861 -4.2949 -4.2945 -4.0488 -4.0487 -3.8634 -3.8631 -2.6394 -2.6389 -2.5256 -2.5247 -2.4336 -2.4334 -2.2713 -2.2706 -2.2308 -2.2301 -2.2089 -2.2088 -2.1805 -2.1796 -2.0304 -2.0295 -2.0278 -2.0272 -1.9987 -1.9971 -1.6609 -1.6609 -1.5417 -1.5416 1.2314 1.2314 2.4855 2.4855 k = 0.0000 0.0000 0.4733 ( 13240 PWs) bands (ev): -23.1858 -23.1858 -23.1232 -23.1232 -20.6212 -20.6212 -20.4874 -20.4874 -17.7113 -17.7113 -17.7041 -17.7041 -17.1720 -17.1720 -17.1598 -17.1598 -12.7997 -12.7997 -12.0908 -12.0908 -9.8801 -9.8801 -8.8005 -8.8005 -7.5594 -7.5594 -7.3219 -7.3219 -7.1515 -7.1515 -7.0704 -7.0704 -6.0024 -6.0024 -5.5016 -5.5016 -5.0981 -5.0981 -4.6553 -4.6553 -4.3864 -4.3864 -4.2956 -4.2956 -4.0488 -4.0488 -3.8654 -3.8654 -2.6388 -2.6388 -2.5239 -2.5239 -2.4335 -2.4335 -2.2635 -2.2635 -2.2290 -2.2290 -2.2090 -2.2090 -2.1798 -2.1798 -2.0293 -2.0293 -2.0267 -2.0267 -1.9889 -1.9889 -1.6696 -1.6696 -1.5530 -1.5530 1.2324 1.2324 2.4869 2.4869 k = 0.0000 0.0000 0.4733 ( 13240 PWs) bands (ev): -23.1858 -23.1858 -23.1232 -23.1232 -20.6212 -20.6212 -20.4874 -20.4874 -17.7113 -17.7113 -17.7041 -17.7041 -17.1720 -17.1720 -17.1598 -17.1598 -12.7997 -12.7997 -12.0908 -12.0908 -9.8801 -9.8801 -8.8005 -8.8005 -7.5594 -7.5594 -7.3219 -7.3219 -7.1515 -7.1515 -7.0704 -7.0704 -6.0024 -6.0024 -5.5016 -5.5016 -5.0981 -5.0981 -4.6553 -4.6553 -4.3864 -4.3864 -4.2956 -4.2956 -4.0488 -4.0488 -3.8654 -3.8654 -2.6388 -2.6388 -2.5239 -2.5239 -2.4335 -2.4335 -2.2635 -2.2635 -2.2290 -2.2290 -2.2090 -2.2090 -2.1798 -2.1798 -2.0293 -2.0293 -2.0267 -2.0267 -1.9889 -1.9889 -1.6696 -1.6696 -1.5530 -1.5530 1.2324 1.2324 2.4869 2.4869 k = 0.0000 0.0261 0.4733 ( 13240 PWs) bands (ev): -23.1858 -23.1858 -23.1232 -23.1232 -20.6210 -20.6210 -20.4873 -20.4873 -17.7117 -17.7117 -17.7044 -17.7044 -17.1720 -17.1720 -17.1598 -17.1598 -12.7994 -12.7994 -12.0909 -12.0909 -9.8794 -9.8794 -8.8001 -8.8001 -7.5592 -7.5592 -7.3218 -7.3218 -7.1517 -7.1517 -7.0704 -7.0704 -6.0016 -6.0015 -5.5021 -5.5013 -5.0984 -5.0970 -4.6556 -4.6549 -4.4025 -4.4008 -4.2802 -4.2791 -4.0527 -4.0519 -3.8625 -3.8617 -2.6399 -2.6388 -2.5249 -2.5238 -2.4335 -2.4334 -2.2641 -2.2640 -2.2293 -2.2292 -2.2091 -2.2090 -2.1799 -2.1798 -2.0333 -2.0328 -2.0280 -2.0251 -1.9891 -1.9885 -1.6694 -1.6694 -1.5524 -1.5523 1.2329 1.2330 2.4857 2.4858 k = 0.0000 0.0523 0.4733 ( 13234 PWs) bands (ev): -23.1857 -23.1857 -23.1232 -23.1232 -20.6206 -20.6206 -20.4869 -20.4869 -17.7127 -17.7127 -17.7056 -17.7056 -17.1720 -17.1720 -17.1598 -17.1598 -12.7984 -12.7984 -12.0913 -12.0913 -9.8774 -9.8774 -8.7989 -8.7989 -7.5586 -7.5585 -7.3216 -7.3215 -7.1522 -7.1521 -7.0706 -7.0706 -5.9991 -5.9989 -5.5030 -5.5014 -5.0980 -5.0951 -4.6557 -4.6543 -4.4339 -4.4314 -4.2475 -4.2461 -4.0628 -4.0615 -3.8534 -3.8521 -2.6422 -2.6399 -2.5270 -2.5247 -2.4333 -2.4332 -2.2657 -2.2656 -2.2300 -2.2299 -2.2096 -2.2094 -2.1800 -2.1799 -2.0419 -2.0410 -2.0306 -2.0269 -1.9892 -1.9884 -1.6689 -1.6688 -1.5505 -1.5503 1.2344 1.2346 2.4824 2.4827 k = 0.0000 0.0784 0.4733 ( 13234 PWs) bands (ev): -23.1856 -23.1856 -23.1232 -23.1232 -20.6199 -20.6199 -20.4863 -20.4863 -17.7145 -17.7145 -17.7075 -17.7075 -17.1720 -17.1720 -17.1597 -17.1597 -12.7967 -12.7967 -12.0920 -12.0920 -9.8741 -9.8741 -8.7969 -8.7968 -7.5576 -7.5575 -7.3212 -7.3211 -7.1530 -7.1528 -7.0709 -7.0709 -5.9950 -5.9946 -5.5043 -5.5020 -5.0967 -5.0924 -4.6557 -4.6536 -4.4687 -4.4657 -4.2104 -4.2088 -4.0769 -4.0755 -3.8400 -3.8383 -2.6456 -2.6422 -2.5301 -2.5267 -2.4331 -2.4330 -2.2685 -2.2683 -2.2311 -2.2310 -2.2103 -2.2100 -2.1802 -2.1800 -2.0542 -2.0519 -2.0360 -2.0318 -1.9898 -1.9891 -1.6680 -1.6679 -1.5474 -1.5472 1.2370 1.2372 2.4770 2.4774 k = 0.0000 0.1046 0.4733 ( 13226 PWs) bands (ev): -23.1855 -23.1855 -23.1232 -23.1232 -20.6189 -20.6189 -20.4855 -20.4855 -17.7169 -17.7169 -17.7102 -17.7101 -17.1719 -17.1719 -17.1597 -17.1597 -12.7943 -12.7943 -12.0929 -12.0929 -9.8696 -9.8695 -8.7941 -8.7940 -7.5562 -7.5560 -7.3207 -7.3205 -7.1541 -7.1539 -7.0713 -7.0712 -5.9891 -5.9887 -5.5060 -5.5030 -5.0945 -5.0889 -4.6559 -4.6529 -4.5035 -4.5000 -4.1746 -4.1718 -4.0912 -4.0904 -3.8237 -3.8217 -2.6501 -2.6456 -2.5342 -2.5296 -2.4327 -2.4326 -2.2724 -2.2721 -2.2327 -2.2325 -2.2112 -2.2109 -2.1806 -2.1803 -2.0692 -2.0656 -2.0440 -2.0395 -1.9915 -1.9909 -1.6668 -1.6667 -1.5432 -1.5429 1.2405 1.2408 2.4697 2.4701 k = 0.0000 0.1307 0.4733 ( 13223 PWs) bands (ev): -23.1853 -23.1853 -23.1233 -23.1233 -20.6176 -20.6176 -20.4844 -20.4844 -17.7200 -17.7200 -17.7135 -17.7135 -17.1719 -17.1719 -17.1597 -17.1597 -12.7913 -12.7913 -12.0941 -12.0941 -9.8638 -9.8637 -8.7906 -8.7905 -7.5543 -7.5541 -7.3200 -7.3197 -7.1556 -7.1552 -7.0718 -7.0717 -5.9817 -5.9811 -5.5085 -5.5048 -5.0913 -5.0844 -4.6567 -4.6528 -4.5369 -4.5327 -4.1528 -4.1467 -4.0954 -4.0926 -3.8057 -3.8036 -2.6557 -2.6500 -2.5394 -2.5336 -2.4323 -2.4321 -2.2774 -2.2769 -2.2346 -2.2343 -2.2124 -2.2121 -2.1810 -2.1807 -2.0865 -2.0818 -2.0545 -2.0495 -1.9945 -1.9940 -1.6653 -1.6652 -1.5380 -1.5376 1.2450 1.2453 2.4605 2.4610 k = 0.0000 0.1569 0.4733 ( 13231 PWs) bands (ev): -23.1851 -23.1851 -23.1233 -23.1233 -20.6160 -20.6160 -20.4831 -20.4831 -17.7237 -17.7237 -17.7175 -17.7175 -17.1719 -17.1719 -17.1596 -17.1596 -12.7877 -12.7876 -12.0955 -12.0955 -9.8568 -9.8568 -8.7863 -8.7862 -7.5521 -7.5519 -7.3191 -7.3189 -7.1573 -7.1569 -7.0724 -7.0723 -5.9726 -5.9719 -5.5117 -5.5075 -5.0871 -5.0789 -4.6590 -4.6540 -4.5673 -4.5624 -4.1599 -4.1532 -4.0695 -4.0665 -3.7869 -3.7848 -2.6622 -2.6554 -2.5456 -2.5387 -2.4318 -2.4315 -2.2834 -2.2828 -2.2369 -2.2365 -2.2140 -2.2137 -2.1817 -2.1813 -2.1057 -2.0999 -2.0673 -2.0618 -1.9989 -1.9983 -1.6636 -1.6635 -1.5320 -1.5315 1.2504 1.2508 2.4496 2.4502 k = 0.0000 0.1830 0.4733 ( 13225 PWs) bands (ev): -23.1849 -23.1849 -23.1233 -23.1233 -20.6142 -20.6142 -20.4816 -20.4816 -17.7280 -17.7280 -17.7222 -17.7222 -17.1718 -17.1718 -17.1596 -17.1596 -12.7834 -12.7834 -12.0972 -12.0972 -9.8488 -9.8487 -8.7814 -8.7813 -7.5494 -7.5492 -7.3181 -7.3178 -7.1593 -7.1588 -7.0730 -7.0729 -5.9619 -5.9611 -5.5161 -5.5113 -5.0817 -5.0722 -4.6643 -4.6586 -4.5926 -4.5873 -4.1796 -4.1732 -4.0309 -4.0285 -3.7677 -3.7656 -2.6696 -2.6617 -2.5530 -2.5450 -2.4313 -2.4309 -2.2905 -2.2898 -2.2397 -2.2391 -2.2158 -2.2155 -2.1829 -2.1823 -2.1263 -2.1193 -2.0821 -2.0762 -2.0046 -2.0038 -1.6617 -1.6616 -1.5253 -1.5248 1.2568 1.2573 2.4372 2.4379 k = 0.0000 0.2091 0.4733 ( 13219 PWs) bands (ev): -23.1846 -23.1846 -23.1234 -23.1234 -20.6122 -20.6122 -20.4799 -20.4799 -17.7329 -17.7328 -17.7274 -17.7274 -17.1717 -17.1717 -17.1595 -17.1595 -12.7787 -12.7787 -12.0991 -12.0991 -9.8397 -9.8396 -8.7759 -8.7758 -7.5464 -7.5460 -7.3170 -7.3167 -7.1616 -7.1611 -7.0737 -7.0735 -5.9497 -5.9487 -5.5217 -5.5165 -5.0750 -5.0644 -4.6751 -4.6699 -4.6092 -4.6047 -4.2027 -4.1962 -3.9899 -3.9879 -3.7486 -3.7464 -2.6779 -2.6688 -2.5615 -2.5523 -2.4307 -2.4303 -2.2985 -2.2977 -2.2429 -2.2420 -2.2180 -2.2178 -2.1853 -2.1846 -2.1469 -2.1391 -2.0990 -2.0926 -2.0114 -2.0104 -1.6596 -1.6595 -1.5181 -1.5177 1.2640 1.2645 2.4237 2.4244 k = 0.0000 0.2353 0.4733 ( 13217 PWs) bands (ev): -23.1844 -23.1844 -23.1235 -23.1235 -20.6100 -20.6100 -20.4780 -20.4780 -17.7382 -17.7382 -17.7331 -17.7331 -17.1717 -17.1717 -17.1595 -17.1595 -12.7735 -12.7734 -12.1013 -12.1013 -9.8296 -9.8296 -8.7698 -8.7696 -7.5429 -7.5425 -7.3158 -7.3154 -7.1642 -7.1637 -7.0744 -7.0742 -5.9360 -5.9349 -5.5287 -5.5233 -5.0670 -5.0554 -4.6918 -4.6882 -4.6167 -4.6139 -4.2270 -4.2203 -3.9484 -3.9466 -3.7297 -3.7275 -2.6868 -2.6766 -2.5712 -2.5609 -2.4301 -2.4297 -2.3075 -2.3065 -2.2468 -2.2455 -2.2207 -2.2206 -2.1917 -2.1900 -2.1639 -2.1568 -2.1175 -2.1106 -2.0191 -2.0178 -1.6575 -1.6574 -1.5106 -1.5101 1.2721 1.2726 2.4091 2.4100 k = 0.0000 0.2614 0.4733 ( 13215 PWs) bands (ev): -23.1841 -23.1841 -23.1235 -23.1235 -20.6076 -20.6075 -20.4760 -20.4760 -17.7440 -17.7440 -17.7393 -17.7393 -17.1716 -17.1716 -17.1594 -17.1594 -12.7677 -12.7677 -12.1036 -12.1036 -9.8188 -9.8187 -8.7632 -8.7630 -7.5390 -7.5386 -7.3144 -7.3140 -7.1671 -7.1665 -7.0750 -7.0749 -5.9209 -5.9196 -5.5374 -5.5317 -5.0575 -5.0450 -4.7120 -4.7094 -4.6191 -4.6175 -4.2516 -4.2446 -3.9069 -3.9054 -3.7111 -3.7090 -2.6965 -2.6851 -2.5821 -2.5707 -2.4295 -2.4291 -2.3173 -2.3162 -2.2522 -2.2498 -2.2250 -2.2245 -2.2056 -2.2012 -2.1723 -2.1680 -2.1375 -2.1302 -2.0275 -2.0261 -1.6553 -1.6552 -1.5029 -1.5024 1.2810 1.2816 2.3939 2.3948 k = 0.0000 0.2876 0.4733 ( 13213 PWs) bands (ev): -23.1837 -23.1837 -23.1236 -23.1236 -20.6050 -20.6049 -20.4738 -20.4738 -17.7503 -17.7502 -17.7459 -17.7458 -17.1715 -17.1715 -17.1593 -17.1593 -12.7617 -12.7616 -12.1061 -12.1061 -9.8072 -9.8072 -8.7561 -8.7560 -7.5347 -7.5343 -7.3130 -7.3125 -7.1702 -7.1696 -7.0757 -7.0755 -5.9044 -5.9030 -5.5477 -5.5420 -5.0466 -5.0333 -4.7328 -4.7306 -4.6197 -4.6178 -4.2763 -4.2689 -3.8659 -3.8645 -3.6931 -3.6911 -2.7066 -2.6941 -2.5943 -2.5818 -2.4291 -2.4286 -2.3279 -2.3268 -2.2609 -2.2562 -2.2339 -2.2320 -2.2182 -2.2144 -2.1753 -2.1729 -2.1587 -2.1510 -2.0366 -2.0349 -1.6532 -1.6530 -1.4951 -1.4946 1.2906 1.2912 2.3783 2.3792 k = 0.0000 0.3137 0.4733 ( 13211 PWs) bands (ev): -23.1834 -23.1834 -23.1237 -23.1237 -20.6022 -20.6022 -20.4715 -20.4715 -17.7569 -17.7568 -17.7527 -17.7527 -17.1715 -17.1715 -17.1593 -17.1593 -12.7552 -12.7552 -12.1088 -12.1088 -9.7950 -9.7950 -8.7487 -8.7485 -7.5301 -7.5296 -7.3115 -7.3110 -7.1736 -7.1730 -7.0764 -7.0762 -5.8868 -5.8852 -5.5597 -5.5540 -5.0342 -5.0202 -4.7528 -4.7504 -4.6196 -4.6169 -4.3005 -4.2927 -3.8256 -3.8243 -3.6757 -3.6737 -2.7172 -2.7035 -2.6077 -2.5943 -2.4289 -2.4283 -2.3394 -2.3383 -2.2766 -2.2679 -2.2450 -2.2428 -2.2239 -2.2220 -2.1817 -2.1774 -2.1747 -2.1715 -2.0460 -2.0443 -1.6511 -1.6509 -1.4873 -1.4869 1.3010 1.3016 2.3625 2.3635 k = 0.0000 0.3398 0.4733 ( 13217 PWs) bands (ev): -23.1830 -23.1830 -23.1238 -23.1238 -20.5994 -20.5994 -20.4691 -20.4691 -17.7638 -17.7637 -17.7598 -17.7597 -17.1714 -17.1714 -17.1592 -17.1592 -12.7485 -12.7484 -12.1117 -12.1117 -9.7824 -9.7823 -8.7410 -8.7408 -7.5251 -7.5245 -7.3099 -7.3093 -7.1771 -7.1765 -7.0770 -7.0768 -5.8680 -5.8663 -5.5733 -5.5678 -5.0205 -5.0060 -4.7711 -4.7685 -4.6193 -4.6158 -4.3240 -4.3157 -3.7862 -3.7850 -3.6589 -3.6569 -2.7280 -2.7132 -2.6224 -2.6081 -2.4292 -2.4283 -2.3518 -2.3509 -2.2981 -2.2865 -2.2527 -2.2510 -2.2277 -2.2266 -2.2039 -2.1961 -2.1768 -2.1754 -2.0558 -2.0539 -1.6491 -1.6489 -1.4796 -1.4792 1.3120 1.3127 2.3469 2.3479 k = 0.0000 0.3660 0.4733 ( 13214 PWs) bands (ev): -23.1827 -23.1827 -23.1238 -23.1238 -20.5964 -20.5964 -20.4667 -20.4667 -17.7709 -17.7708 -17.7669 -17.7669 -17.1713 -17.1713 -17.1591 -17.1591 -12.7415 -12.7415 -12.1147 -12.1147 -9.7694 -9.7693 -8.7330 -8.7329 -7.5197 -7.5191 -7.3083 -7.3077 -7.1808 -7.1802 -7.0776 -7.0774 -5.8484 -5.8465 -5.5883 -5.5830 -5.0055 -4.9905 -4.7874 -4.7846 -4.6191 -4.6150 -4.3465 -4.3377 -3.7481 -3.7469 -3.6425 -3.6406 -2.7390 -2.7232 -2.6383 -2.6233 -2.4303 -2.4290 -2.3654 -2.3646 -2.3208 -2.3077 -2.2588 -2.2571 -2.2318 -2.2308 -2.2258 -2.2185 -2.1773 -2.1762 -2.0658 -2.0637 -1.6473 -1.6470 -1.4722 -1.4718 1.3238 1.3245 2.3316 2.3327 k = 0.0000 0.3921 0.4733 ( 13217 PWs) bands (ev): -23.1823 -23.1823 -23.1239 -23.1239 -20.5934 -20.5934 -20.4642 -20.4642 -17.7783 -17.7782 -17.7742 -17.7741 -17.1712 -17.1712 -17.1591 -17.1591 -12.7344 -12.7344 -12.1178 -12.1178 -9.7561 -9.7561 -8.7250 -8.7248 -7.5140 -7.5134 -7.3067 -7.3060 -7.1846 -7.1840 -7.0782 -7.0780 -5.8282 -5.8261 -5.6044 -5.5994 -4.9895 -4.9741 -4.8016 -4.7987 -4.6196 -4.6151 -4.3675 -4.3583 -3.7118 -3.7107 -3.6265 -3.6246 -2.7501 -2.7333 -2.6553 -2.6399 -2.4335 -2.4311 -2.3801 -2.3791 -2.3417 -2.3283 -2.2659 -2.2630 -2.2486 -2.2432 -2.2336 -2.2321 -2.1776 -2.1766 -2.0758 -2.0737 -1.6456 -1.6453 -1.4650 -1.4647 1.3362 1.3369 2.3170 2.3181 k = 0.0000 0.4183 0.4733 ( 13214 PWs) bands (ev): -23.1819 -23.1819 -23.1240 -23.1240 -20.5904 -20.5904 -20.4616 -20.4616 -17.7857 -17.7856 -17.7814 -17.7813 -17.1711 -17.1711 -17.1590 -17.1590 -12.7272 -12.7272 -12.1210 -12.1210 -9.7428 -9.7427 -8.7169 -8.7167 -7.5081 -7.5074 -7.3050 -7.3043 -7.1885 -7.1879 -7.0787 -7.0786 -5.8078 -5.8055 -5.6210 -5.6164 -4.9727 -4.9571 -4.8137 -4.8108 -4.6209 -4.6162 -4.3867 -4.3773 -3.6781 -3.6771 -3.6101 -3.6083 -2.7610 -2.7433 -2.6734 -2.6576 -2.4409 -2.4365 -2.3938 -2.3927 -2.3597 -2.3466 -2.2798 -2.2730 -2.2624 -2.2608 -2.2369 -2.2361 -2.1778 -2.1770 -2.0858 -2.0836 -1.6441 -1.6438 -1.4582 -1.4579 1.3492 1.3499 2.3032 2.3043 k = 0.0000 0.4444 0.4733 ( 13221 PWs) bands (ev): -23.1815 -23.1815 -23.1241 -23.1241 -20.5874 -20.5874 -20.4591 -20.4591 -17.7931 -17.7930 -17.7885 -17.7884 -17.1711 -17.1711 -17.1589 -17.1589 -12.7200 -12.7200 -12.1242 -12.1242 -9.7295 -9.7295 -8.7088 -8.7086 -7.5019 -7.5012 -7.3034 -7.3026 -7.1924 -7.1918 -7.0793 -7.0791 -5.7879 -5.7854 -5.6374 -5.6332 -4.9555 -4.9398 -4.8236 -4.8208 -4.6234 -4.6187 -4.4038 -4.3941 -3.6486 -3.6477 -3.5922 -3.5904 -2.7717 -2.7532 -2.6923 -2.6764 -2.4552 -2.4478 -2.4033 -2.4025 -2.3748 -2.3624 -2.3005 -2.2929 -2.2691 -2.2687 -2.2401 -2.2395 -2.1779 -2.1772 -2.0956 -2.0933 -1.6428 -1.6425 -1.4517 -1.4514 1.3627 1.3635 2.2904 2.2915 k = 0.0000 0.4706 0.4733 ( 13227 PWs) bands (ev): -23.1811 -23.1811 -23.1242 -23.1242 -20.5844 -20.5844 -20.4566 -20.4566 -17.8005 -17.8004 -17.7954 -17.7954 -17.1710 -17.1710 -17.1588 -17.1588 -12.7129 -12.7128 -12.1274 -12.1274 -9.7164 -9.7164 -8.7008 -8.7006 -7.4955 -7.4948 -7.3019 -7.3010 -7.1963 -7.1957 -7.0798 -7.0796 -5.7699 -5.7672 -5.6520 -5.6482 -4.9385 -4.9229 -4.8311 -4.8285 -4.6272 -4.6230 -4.4182 -4.4087 -3.6250 -3.6243 -3.5710 -3.5695 -2.7820 -2.7628 -2.7117 -2.6960 -2.4753 -2.4654 -2.4083 -2.4072 -2.3878 -2.3761 -2.3221 -2.3151 -2.2742 -2.2739 -2.2432 -2.2427 -2.1781 -2.1773 -2.1052 -2.1029 -1.6418 -1.6415 -1.4457 -1.4454 1.3769 1.3777 2.2783 2.2794 k = 0.0000 0.4967 0.4733 ( 13223 PWs) bands (ev): -23.1808 -23.1808 -23.1243 -23.1243 -20.5815 -20.5814 -20.4542 -20.4542 -17.8077 -17.8077 -17.8022 -17.8021 -17.1709 -17.1709 -17.1588 -17.1588 -12.7058 -12.7058 -12.1307 -12.1307 -9.7037 -9.7036 -8.6930 -8.6928 -7.4890 -7.4883 -7.3004 -7.2995 -7.2001 -7.1995 -7.0802 -7.0800 -5.7566 -5.7537 -5.6619 -5.6585 -4.9227 -4.9077 -4.8356 -4.8334 -4.6324 -4.6291 -4.4300 -4.4208 -3.6078 -3.6073 -3.5464 -3.5452 -2.7917 -2.7722 -2.7315 -2.7161 -2.4979 -2.4863 -2.4109 -2.4093 -2.3993 -2.3882 -2.3433 -2.3372 -2.2789 -2.2786 -2.2462 -2.2458 -2.1782 -2.1774 -2.1146 -2.1122 -1.6409 -1.6406 -1.4401 -1.4399 1.3915 1.3924 2.2649 2.2660 k = 0.0000 0.5228 0.4733 ( 13219 PWs) bands (ev): -23.1804 -23.1804 -23.1244 -23.1244 -20.5786 -20.5786 -20.4518 -20.4518 -17.8147 -17.8146 -17.8087 -17.8086 -17.1708 -17.1708 -17.1587 -17.1587 -12.6990 -12.6990 -12.1339 -12.1339 -9.6914 -9.6913 -8.6855 -8.6853 -7.4825 -7.4817 -7.2990 -7.2981 -7.2038 -7.2032 -7.0806 -7.0805 -5.7523 -5.7493 -5.6626 -5.6596 -4.9094 -4.8961 -4.8364 -4.8337 -4.6390 -4.6368 -4.4389 -4.4304 -3.5953 -3.5950 -3.5205 -3.5195 -2.8008 -2.7811 -2.7511 -2.7363 -2.5209 -2.5081 -2.4144 -2.4102 -2.4080 -2.3989 -2.3634 -2.3586 -2.2834 -2.2830 -2.2491 -2.2487 -2.1782 -2.1775 -2.1235 -2.1211 -1.6403 -1.6400 -1.4350 -1.4348 1.4066 1.4075 2.2321 2.2336 k = 0.0000 0.5490 0.4733 ( 13228 PWs) bands (ev): -23.1801 -23.1801 -23.1245 -23.1245 -20.5759 -20.5759 -20.4495 -20.4495 -17.8214 -17.8213 -17.8148 -17.8148 -17.1708 -17.1708 -17.1586 -17.1586 -12.6925 -12.6924 -12.1370 -12.1370 -9.6796 -9.6795 -8.6783 -8.6782 -7.4759 -7.4752 -7.2978 -7.2968 -7.2074 -7.2068 -7.0810 -7.0809 -5.7581 -5.7552 -5.6530 -5.6502 -4.9006 -4.8901 -4.8328 -4.8274 -4.6468 -4.6457 -4.4453 -4.4377 -3.5860 -3.5859 -3.4949 -3.4942 -2.8091 -2.7895 -2.7702 -2.7561 -2.5431 -2.5297 -2.4229 -2.4129 -2.4103 -2.4068 -2.3822 -2.3791 -2.2876 -2.2872 -2.2518 -2.2515 -2.1783 -2.1776 -2.1319 -2.1296 -1.6399 -1.6396 -1.4304 -1.4302 1.4221 1.4230 2.1945 2.1963 k = 0.0000 0.5751 0.4733 ( 13222 PWs) bands (ev): -23.1798 -23.1798 -23.1245 -23.1245 -20.5734 -20.5733 -20.4474 -20.4474 -17.8277 -17.8276 -17.8206 -17.8206 -17.1707 -17.1707 -17.1586 -17.1586 -12.6863 -12.6862 -12.1399 -12.1399 -9.6686 -9.6685 -8.6716 -8.6714 -7.4695 -7.4688 -7.2966 -7.2956 -7.2107 -7.2101 -7.0814 -7.0812 -5.7700 -5.7674 -5.6369 -5.6343 -4.8971 -4.8893 -4.8243 -4.8156 -4.6563 -4.6543 -4.4496 -4.4429 -3.5789 -3.5788 -3.4710 -3.4704 -2.8166 -2.7975 -2.7882 -2.7751 -2.5638 -2.5502 -2.4331 -2.4211 -2.4108 -2.4089 -2.3989 -2.3978 -2.2916 -2.2912 -2.2543 -2.2540 -2.1784 -2.1776 -2.1398 -2.1375 -1.6396 -1.6393 -1.4263 -1.4261 1.4378 1.4387 2.1577 2.1595 k = 0.0000 0.6013 0.4733 ( 13224 PWs) bands (ev): -23.1795 -23.1795 -23.1246 -23.1246 -20.5710 -20.5710 -20.4454 -20.4454 -17.8335 -17.8334 -17.8260 -17.8259 -17.1706 -17.1706 -17.1585 -17.1585 -12.6805 -12.6804 -12.1427 -12.1427 -9.6583 -9.6583 -8.6654 -8.6652 -7.4633 -7.4626 -7.2957 -7.2947 -7.2138 -7.2132 -7.0818 -7.0816 -5.7843 -5.7820 -5.6183 -5.6157 -4.8976 -4.8915 -4.8122 -4.8011 -4.6666 -4.6627 -4.4521 -4.4464 -3.5734 -3.5733 -3.4494 -3.4489 -2.8232 -2.8058 -2.8042 -2.7927 -2.5825 -2.5691 -2.4442 -2.4315 -2.4159 -2.4146 -2.4090 -2.4077 -2.2953 -2.2949 -2.2566 -2.2563 -2.1785 -2.1776 -2.1471 -2.1448 -1.6396 -1.6393 -1.4227 -1.4226 1.4536 1.4546 2.1225 2.1242 k = 0.0000 0.6274 0.4733 ( 13231 PWs) bands (ev): -23.1792 -23.1792 -23.1247 -23.1247 -20.5688 -20.5688 -20.4436 -20.4436 -17.8388 -17.8387 -17.8308 -17.8308 -17.1706 -17.1706 -17.1584 -17.1584 -12.6752 -12.6751 -12.1453 -12.1453 -9.6490 -9.6490 -8.6597 -8.6596 -7.4575 -7.4568 -7.2949 -7.2939 -7.2165 -7.2160 -7.0821 -7.0819 -5.7989 -5.7969 -5.5992 -5.5967 -4.9005 -4.8954 -4.7986 -4.7859 -4.6768 -4.6708 -4.4532 -4.4486 -3.5693 -3.5691 -3.4304 -3.4300 -2.8290 -2.8198 -2.8125 -2.8080 -2.5989 -2.5861 -2.4563 -2.4445 -2.4268 -2.4260 -2.4090 -2.4084 -2.2987 -2.2984 -2.2587 -2.2584 -2.1786 -2.1776 -2.1536 -2.1514 -1.6397 -1.6394 -1.4197 -1.4195 1.4694 1.4703 2.0892 2.0909 k = 0.0000 0.6536 0.4733 ( 13224 PWs) bands (ev): -23.1789 -23.1789 -23.1248 -23.1248 -20.5669 -20.5669 -20.4420 -20.4420 -17.8435 -17.8434 -17.8351 -17.8351 -17.1705 -17.1705 -17.1584 -17.1584 -12.6704 -12.6704 -12.1477 -12.1477 -9.6407 -9.6407 -8.6546 -8.6545 -7.4520 -7.4514 -7.2943 -7.2933 -7.2190 -7.2185 -7.0823 -7.0822 -5.8127 -5.8110 -5.5808 -5.5784 -4.9045 -4.9000 -4.7850 -4.7711 -4.6864 -4.6783 -4.4535 -4.4498 -3.5661 -3.5659 -3.4144 -3.4140 -2.8340 -2.8323 -2.8232 -2.8177 -2.6127 -2.6010 -2.4690 -2.4591 -2.4352 -2.4343 -2.4088 -2.4083 -2.3018 -2.3015 -2.2605 -2.2602 -2.1788 -2.1777 -2.1594 -2.1571 -1.6399 -1.6397 -1.4171 -1.4170 1.4848 1.4857 2.0585 2.0600 k = 0.0000 0.6797 0.4733 ( 13207 PWs) bands (ev): -23.1787 -23.1787 -23.1248 -23.1248 -20.5652 -20.5652 -20.4406 -20.4406 -17.8476 -17.8475 -17.8389 -17.8389 -17.1705 -17.1705 -17.1584 -17.1584 -12.6662 -12.6662 -12.1498 -12.1498 -9.6335 -9.6335 -8.6502 -8.6501 -7.4471 -7.4465 -7.2938 -7.2929 -7.2211 -7.2206 -7.0826 -7.0824 -5.8251 -5.8237 -5.5638 -5.5616 -4.9089 -4.9050 -4.7722 -4.7573 -4.6952 -4.6850 -4.4532 -4.4502 -3.5638 -3.5635 -3.4013 -3.4010 -2.8424 -2.8382 -2.8343 -2.8243 -2.6239 -2.6135 -2.4813 -2.4733 -2.4415 -2.4405 -2.4085 -2.4081 -2.3045 -2.3042 -2.2620 -2.2618 -2.1789 -2.1777 -2.1643 -2.1621 -1.6403 -1.6401 -1.4151 -1.4150 1.4995 1.5003 2.0306 2.0320 k = 0.0000 0.7058 0.4733 ( 13208 PWs) bands (ev): -23.1786 -23.1786 -23.1249 -23.1249 -20.5638 -20.5638 -20.4394 -20.4394 -17.8510 -17.8510 -17.8420 -17.8420 -17.1704 -17.1704 -17.1583 -17.1583 -12.6628 -12.6627 -12.1515 -12.1515 -9.6275 -9.6275 -8.6466 -8.6465 -7.4429 -7.4424 -7.2934 -7.2926 -7.2228 -7.2224 -7.0828 -7.0827 -5.8358 -5.8347 -5.5488 -5.5469 -4.9133 -4.9099 -4.7607 -4.7449 -4.7030 -4.6909 -4.4525 -4.4503 -3.5622 -3.5618 -3.3912 -3.3909 -2.8500 -2.8437 -2.8413 -2.8302 -2.6323 -2.6237 -2.4923 -2.4860 -2.4463 -2.4452 -2.4082 -2.4079 -2.3068 -2.3065 -2.2632 -2.2630 -2.1791 -2.1777 -2.1683 -2.1661 -1.6408 -1.6406 -1.4136 -1.4135 1.5130 1.5137 2.0063 2.0074 k = 0.0000 0.7320 0.4733 ( 13207 PWs) bands (ev): -23.1784 -23.1784 -23.1249 -23.1249 -20.5627 -20.5627 -20.4385 -20.4385 -17.8537 -17.8537 -17.8445 -17.8445 -17.1704 -17.1704 -17.1583 -17.1583 -12.6600 -12.6600 -12.1529 -12.1529 -9.6228 -9.6227 -8.6437 -8.6436 -7.4394 -7.4390 -7.2932 -7.2925 -7.2241 -7.2238 -7.0829 -7.0828 -5.8444 -5.8435 -5.5364 -5.5349 -4.9171 -4.9143 -4.7507 -4.7340 -4.7100 -4.6961 -4.4518 -4.4502 -3.5610 -3.5607 -3.3838 -3.3836 -2.8552 -2.8502 -2.8442 -2.8356 -2.6382 -2.6315 -2.5015 -2.4967 -2.4497 -2.4488 -2.4079 -2.4077 -2.3086 -2.3084 -2.2641 -2.2640 -2.1792 -2.1776 -2.1713 -2.1692 -1.6414 -1.6412 -1.4126 -1.4125 1.5247 1.5253 1.9861 1.9870 k = 0.0000 0.7581 0.4733 ( 13200 PWs) bands (ev): -23.1783 -23.1783 -23.1249 -23.1249 -20.5619 -20.5619 -20.4378 -20.4378 -17.8557 -17.8557 -17.8463 -17.8463 -17.1704 -17.1704 -17.1583 -17.1583 -12.6579 -12.6579 -12.1539 -12.1539 -9.6193 -9.6193 -8.6415 -8.6415 -7.4368 -7.4365 -7.2930 -7.2925 -7.2250 -7.2248 -7.0830 -7.0830 -5.8507 -5.8501 -5.5270 -5.5259 -4.9200 -4.9180 -4.7422 -4.7249 -4.7162 -4.7007 -4.4511 -4.4500 -3.5603 -3.5600 -3.3789 -3.3787 -2.8582 -2.8548 -2.8462 -2.8402 -2.6418 -2.6373 -2.5081 -2.5049 -2.4519 -2.4513 -2.4078 -2.4076 -2.3099 -2.3098 -2.2648 -2.2647 -2.1790 -2.1776 -2.1733 -2.1714 -1.6421 -1.6419 -1.4121 -1.4120 1.5341 1.5345 1.9707 1.9714 k = 0.0000 0.7843 0.4733 ( 13207 PWs) bands (ev): -23.1782 -23.1782 -23.1249 -23.1249 -20.5614 -20.5614 -20.4374 -20.4374 -17.8569 -17.8569 -17.8474 -17.8474 -17.1704 -17.1704 -17.1583 -17.1583 -12.6567 -12.6567 -12.1546 -12.1546 -9.6171 -9.6171 -8.6402 -8.6402 -7.4351 -7.4350 -7.2928 -7.2926 -7.2256 -7.2254 -7.0831 -7.0831 -5.8546 -5.8543 -5.5209 -5.5203 -4.9217 -4.9206 -4.7350 -4.7221 -4.7173 -4.7054 -4.4505 -4.4500 -3.5599 -3.5597 -3.3762 -3.3761 -2.8595 -2.8578 -2.8470 -2.8439 -2.6434 -2.6411 -2.5117 -2.5100 -2.4530 -2.4528 -2.4076 -2.4075 -2.3108 -2.3107 -2.2651 -2.2651 -2.1786 -2.1775 -2.1742 -2.1730 -1.6428 -1.6427 -1.4121 -1.4121 1.5404 1.5406 1.9609 1.9613 k = 0.0000 0.8104 0.4733 ( 13208 PWs) bands (ev): -23.1782 -23.1782 -23.1249 -23.1249 -20.5612 -20.5612 -20.4372 -20.4372 -17.8573 -17.8573 -17.8478 -17.8478 -17.1704 -17.1704 -17.1583 -17.1583 -12.6562 -12.6562 -12.1548 -12.1548 -9.6163 -9.6163 -8.6397 -8.6397 -7.4345 -7.4345 -7.2927 -7.2926 -7.2257 -7.2257 -7.0831 -7.0831 -5.8559 -5.8559 -5.5185 -5.5184 -4.9220 -4.9219 -4.7287 -4.7278 -4.7112 -4.7104 -4.4501 -4.4501 -3.5598 -3.5598 -3.3756 -3.3755 -2.8595 -2.8594 -2.8464 -2.8461 -2.6433 -2.6431 -2.5122 -2.5119 -2.4532 -2.4530 -2.4076 -2.4075 -2.3111 -2.3111 -2.2652 -2.2652 -2.1775 -2.1774 -2.1740 -2.1739 -1.6436 -1.6436 -1.4126 -1.4126 1.5431 1.5431 1.9571 1.9572 k = 0.0000 0.8104 0.4733 ( 13208 PWs) bands (ev): -23.1782 -23.1782 -23.1249 -23.1249 -20.5612 -20.5612 -20.4372 -20.4372 -17.8573 -17.8573 -17.8478 -17.8478 -17.1704 -17.1704 -17.1583 -17.1583 -12.6562 -12.6562 -12.1548 -12.1548 -9.6163 -9.6163 -8.6397 -8.6397 -7.4345 -7.4345 -7.2927 -7.2926 -7.2257 -7.2257 -7.0831 -7.0831 -5.8559 -5.8559 -5.5185 -5.5184 -4.9220 -4.9219 -4.7287 -4.7278 -4.7112 -4.7104 -4.4501 -4.4501 -3.5598 -3.5598 -3.3756 -3.3755 -2.8595 -2.8594 -2.8464 -2.8461 -2.6433 -2.6431 -2.5122 -2.5119 -2.4532 -2.4530 -2.4076 -2.4075 -2.3111 -2.3111 -2.2652 -2.2652 -2.1775 -2.1774 -2.1740 -2.1739 -1.6436 -1.6436 -1.4126 -1.4126 1.5431 1.5431 1.9571 1.9572 k = 0.0000 0.8128 0.4691 ( 13208 PWs) bands (ev): -23.1782 -23.1782 -23.1249 -23.1249 -20.5612 -20.5612 -20.4372 -20.4372 -17.8573 -17.8573 -17.8478 -17.8478 -17.1704 -17.1704 -17.1583 -17.1583 -12.6562 -12.6562 -12.1548 -12.1548 -9.6163 -9.6163 -8.6397 -8.6397 -7.4345 -7.4345 -7.2927 -7.2927 -7.2257 -7.2257 -7.0831 -7.0831 -5.8559 -5.8559 -5.5184 -5.5184 -4.9219 -4.9219 -4.7283 -4.7283 -4.7108 -4.7108 -4.4501 -4.4501 -3.5598 -3.5598 -3.3756 -3.3756 -2.8594 -2.8594 -2.8463 -2.8463 -2.6432 -2.6432 -2.5120 -2.5120 -2.4530 -2.4530 -2.4075 -2.4075 -2.3111 -2.3111 -2.2652 -2.2652 -2.1775 -2.1775 -2.1740 -2.1740 -1.6437 -1.6437 -1.4127 -1.4127 1.5431 1.5431 1.9571 1.9571 k = 0.0000 0.8128 0.4691 ( 13208 PWs) bands (ev): -23.1782 -23.1782 -23.1249 -23.1249 -20.5612 -20.5612 -20.4372 -20.4372 -17.8573 -17.8573 -17.8478 -17.8478 -17.1704 -17.1704 -17.1583 -17.1583 -12.6562 -12.6562 -12.1548 -12.1548 -9.6163 -9.6163 -8.6397 -8.6397 -7.4345 -7.4345 -7.2927 -7.2927 -7.2257 -7.2257 -7.0831 -7.0831 -5.8559 -5.8559 -5.5184 -5.5184 -4.9219 -4.9219 -4.7283 -4.7283 -4.7108 -4.7108 -4.4501 -4.4501 -3.5598 -3.5598 -3.3756 -3.3756 -2.8594 -2.8594 -2.8463 -2.8463 -2.6432 -2.6432 -2.5120 -2.5120 -2.4530 -2.4530 -2.4075 -2.4075 -2.3111 -2.3111 -2.2652 -2.2652 -2.1775 -2.1775 -2.1740 -2.1740 -1.6437 -1.6437 -1.4127 -1.4127 1.5431 1.5431 1.9571 1.9571 k = 0.0250 0.8128 0.4691 ( 13210 PWs) bands (ev): -23.1781 -23.1781 -23.1250 -23.1250 -20.5610 -20.5610 -20.4374 -20.4374 -17.8573 -17.8573 -17.8478 -17.8478 -17.1704 -17.1704 -17.1583 -17.1583 -12.6556 -12.6555 -12.1558 -12.1558 -9.6147 -9.6147 -8.6413 -8.6412 -7.4343 -7.4340 -7.2931 -7.2917 -7.2267 -7.2252 -7.0836 -7.0833 -5.8555 -5.8554 -5.5191 -5.5190 -4.9217 -4.9217 -4.7280 -4.7279 -4.7106 -4.7106 -4.4503 -4.4502 -3.5593 -3.5593 -3.3758 -3.3758 -2.8595 -2.8595 -2.8464 -2.8463 -2.6430 -2.6430 -2.5125 -2.5124 -2.4529 -2.4526 -2.4073 -2.4072 -2.3111 -2.3110 -2.2653 -2.2653 -2.1783 -2.1783 -2.1744 -2.1743 -1.6431 -1.6431 -1.4130 -1.4129 1.5437 1.5437 1.9557 1.9560 k = 0.0500 0.8128 0.4691 ( 13208 PWs) bands (ev): -23.1779 -23.1779 -23.1253 -23.1253 -20.5604 -20.5604 -20.4380 -20.4380 -17.8573 -17.8573 -17.8479 -17.8479 -17.1703 -17.1703 -17.1583 -17.1583 -12.6537 -12.6537 -12.1588 -12.1588 -9.6100 -9.6100 -8.6459 -8.6459 -7.4335 -7.4330 -7.2932 -7.2904 -7.2281 -7.2251 -7.0846 -7.0840 -5.8540 -5.8539 -5.5209 -5.5208 -4.9209 -4.9209 -4.7273 -4.7272 -4.7099 -4.7099 -4.4507 -4.4506 -3.5579 -3.5578 -3.3764 -3.3764 -2.8596 -2.8595 -2.8468 -2.8467 -2.6425 -2.6424 -2.5139 -2.5136 -2.4522 -2.4517 -2.4064 -2.4063 -2.3108 -2.3107 -2.2656 -2.2655 -2.1809 -2.1808 -2.1755 -2.1752 -1.6415 -1.6414 -1.4139 -1.4138 1.5452 1.5453 1.9520 1.9525 k = 0.0750 0.8128 0.4691 ( 13216 PWs) bands (ev): -23.1775 -23.1775 -23.1257 -23.1257 -20.5595 -20.5595 -20.4389 -20.4389 -17.8572 -17.8572 -17.8479 -17.8479 -17.1702 -17.1702 -17.1584 -17.1584 -12.6505 -12.6505 -12.1636 -12.1636 -9.6021 -9.6021 -8.6536 -8.6536 -7.4322 -7.4314 -7.2929 -7.2885 -7.2299 -7.2254 -7.0862 -7.0853 -5.8516 -5.8514 -5.5240 -5.5238 -4.9197 -4.9196 -4.7268 -4.7266 -4.7081 -4.7081 -4.4514 -4.4512 -3.5554 -3.5553 -3.3774 -3.3773 -2.8597 -2.8596 -2.8474 -2.8472 -2.6416 -2.6415 -2.5160 -2.5157 -2.4510 -2.4503 -2.4050 -2.4048 -2.3104 -2.3102 -2.2661 -2.2660 -2.1851 -2.1850 -2.1772 -2.1769 -1.6389 -1.6388 -1.4154 -1.4153 1.5478 1.5479 1.9460 1.9468 k = 0.1000 0.8128 0.4691 ( 13196 PWs) bands (ev): -23.1770 -23.1770 -23.1263 -23.1263 -20.5582 -20.5581 -20.4403 -20.4402 -17.8571 -17.8571 -17.8480 -17.8480 -17.1701 -17.1701 -17.1586 -17.1586 -12.6461 -12.6461 -12.1704 -12.1703 -9.5912 -9.5912 -8.6643 -8.6643 -7.4303 -7.4293 -7.2923 -7.2862 -7.2322 -7.2260 -7.0883 -7.0871 -5.8483 -5.8479 -5.5282 -5.5280 -4.9179 -4.9179 -4.7272 -4.7269 -4.7046 -4.7045 -4.4523 -4.4521 -3.5520 -3.5519 -3.3787 -3.3787 -2.8599 -2.8597 -2.8483 -2.8479 -2.6403 -2.6403 -2.5188 -2.5184 -2.4494 -2.4486 -2.4030 -2.4028 -2.3098 -2.3095 -2.2668 -2.2666 -2.1909 -2.1908 -2.1795 -2.1791 -1.6353 -1.6351 -1.4175 -1.4174 1.5515 1.5516 1.9381 1.9392 k = 0.1250 0.8128 0.4691 ( 13202 PWs) bands (ev): -23.1763 -23.1762 -23.1270 -23.1270 -20.5565 -20.5565 -20.4420 -20.4419 -17.8569 -17.8569 -17.8481 -17.8481 -17.1699 -17.1699 -17.1587 -17.1587 -12.6405 -12.6405 -12.1789 -12.1788 -9.5774 -9.5774 -8.6779 -8.6779 -7.4278 -7.4265 -7.2916 -7.2836 -7.2349 -7.2267 -7.0910 -7.0895 -5.8440 -5.8435 -5.5336 -5.5333 -4.9157 -4.9156 -4.7288 -4.7285 -4.6992 -4.6990 -4.4535 -4.4533 -3.5478 -3.5477 -3.3805 -3.3804 -2.8601 -2.8599 -2.8493 -2.8489 -2.6387 -2.6387 -2.5221 -2.5217 -2.4476 -2.4466 -2.4004 -2.4002 -2.3091 -2.3086 -2.2677 -2.2675 -2.1982 -2.1981 -2.1824 -2.1819 -1.6307 -1.6305 -1.4202 -1.4201 1.5561 1.5563 1.9286 1.9298 k = 0.1500 0.8128 0.4691 ( 13204 PWs) bands (ev): -23.1754 -23.1754 -23.1279 -23.1279 -20.5545 -20.5544 -20.4440 -20.4440 -17.8567 -17.8567 -17.8482 -17.8482 -17.1697 -17.1697 -17.1589 -17.1589 -12.6337 -12.6336 -12.1891 -12.1890 -9.5607 -9.5607 -8.6943 -8.6943 -7.4247 -7.4232 -7.2908 -7.2807 -7.2379 -7.2274 -7.0943 -7.0924 -5.8388 -5.8383 -5.5400 -5.5397 -4.9129 -4.9128 -4.7315 -4.7311 -4.6920 -4.6918 -4.4550 -4.4546 -3.5429 -3.5427 -3.3826 -3.3826 -2.8604 -2.8601 -2.8505 -2.8500 -2.6368 -2.6367 -2.5258 -2.5253 -2.4454 -2.4444 -2.3974 -2.3971 -2.3082 -2.3076 -2.2687 -2.2685 -2.2067 -2.2066 -2.1859 -2.1853 -1.6254 -1.6252 -1.4234 -1.4233 1.5617 1.5619 1.9178 1.9191 k = 0.1750 0.8128 0.4691 ( 13198 PWs) bands (ev): -23.1744 -23.1744 -23.1290 -23.1290 -20.5521 -20.5521 -20.4464 -20.4464 -17.8565 -17.8565 -17.8484 -17.8484 -17.1695 -17.1695 -17.1592 -17.1592 -12.6256 -12.6256 -12.2008 -12.2008 -9.5414 -9.5414 -8.7134 -8.7133 -7.4212 -7.4194 -7.2902 -7.2776 -7.2409 -7.2280 -7.0981 -7.0959 -5.8327 -5.8321 -5.5474 -5.5470 -4.9097 -4.9095 -4.7351 -4.7347 -4.6833 -4.6831 -4.4567 -4.4563 -3.5372 -3.5370 -3.3851 -3.3850 -2.8607 -2.8604 -2.8518 -2.8512 -2.6345 -2.6345 -2.5297 -2.5293 -2.4431 -2.4420 -2.3938 -2.3934 -2.3071 -2.3064 -2.2700 -2.2697 -2.2164 -2.2163 -2.1899 -2.1892 -1.6194 -1.6191 -1.4271 -1.4270 1.5683 1.5685 1.9058 1.9072 k = 0.2000 0.8128 0.4691 ( 13188 PWs) bands (ev): -23.1733 -23.1733 -23.1302 -23.1302 -20.5494 -20.5494 -20.4491 -20.4491 -17.8562 -17.8562 -17.8485 -17.8485 -17.1692 -17.1692 -17.1594 -17.1594 -12.6165 -12.6164 -12.2140 -12.2140 -9.5195 -9.5194 -8.7350 -8.7349 -7.4172 -7.4151 -7.2900 -7.2749 -7.2436 -7.2282 -7.1024 -7.0999 -5.8258 -5.8252 -5.5557 -5.5553 -4.9060 -4.9058 -4.7396 -4.7391 -4.6734 -4.6731 -4.4587 -4.4583 -3.5310 -3.5308 -3.3880 -3.3879 -2.8610 -2.8607 -2.8532 -2.8525 -2.6320 -2.6319 -2.5338 -2.5334 -2.4406 -2.4394 -2.3898 -2.3893 -2.3060 -2.3051 -2.2714 -2.2710 -2.2269 -2.2268 -2.1944 -2.1936 -1.6128 -1.6125 -1.4314 -1.4313 1.5757 1.5760 1.8930 1.8945 k = 0.2250 0.8128 0.4691 ( 13192 PWs) bands (ev): -23.1720 -23.1720 -23.1315 -23.1315 -20.5464 -20.5464 -20.4522 -20.4521 -17.8559 -17.8559 -17.8487 -17.8487 -17.1689 -17.1689 -17.1597 -17.1597 -12.6061 -12.6061 -12.2285 -12.2285 -9.4952 -9.4951 -8.7590 -8.7589 -7.4127 -7.4103 -7.2903 -7.2732 -7.2454 -7.2278 -7.1072 -7.1043 -5.8182 -5.8175 -5.5648 -5.5644 -4.9018 -4.9015 -4.7448 -4.7443 -4.6624 -4.6621 -4.4610 -4.4605 -3.5244 -3.5241 -3.3912 -3.3911 -2.8614 -2.8610 -2.8547 -2.8539 -2.6291 -2.6290 -2.5381 -2.5377 -2.4379 -2.4366 -2.3853 -2.3847 -2.3047 -2.3038 -2.2730 -2.2725 -2.2382 -2.2380 -2.1994 -2.1985 -1.6056 -1.6053 -1.4362 -1.4361 1.5841 1.5844 1.8796 1.8811 k = 0.2500 0.8128 0.4691 ( 13208 PWs) bands (ev): -23.1706 -23.1706 -23.1330 -23.1330 -20.5431 -20.5431 -20.4555 -20.4554 -17.8556 -17.8556 -17.8489 -17.8489 -17.1686 -17.1686 -17.1600 -17.1600 -12.5947 -12.5947 -12.2442 -12.2441 -9.4687 -9.4686 -8.7852 -8.7851 -7.4077 -7.4050 -7.2915 -7.2733 -7.2452 -7.2266 -7.1124 -7.1092 -5.8098 -5.8090 -5.5747 -5.5742 -4.8971 -4.8968 -4.7507 -4.7501 -4.6507 -4.6504 -4.4638 -4.4632 -3.5174 -3.5171 -3.3947 -3.3946 -2.8618 -2.8614 -2.8561 -2.8553 -2.6260 -2.6259 -2.5424 -2.5420 -2.4349 -2.4336 -2.3806 -2.3798 -2.3035 -2.3023 -2.2747 -2.2742 -2.2498 -2.2496 -2.2048 -2.2038 -1.5980 -1.5977 -1.4415 -1.4413 1.5932 1.5935 1.8656 1.8671 k = 0.2750 0.8128 0.4691 ( 13202 PWs) bands (ev): -23.1691 -23.1691 -23.1345 -23.1345 -20.5396 -20.5395 -20.4591 -20.4590 -17.8553 -17.8553 -17.8492 -17.8491 -17.1682 -17.1682 -17.1604 -17.1604 -12.5823 -12.5822 -12.2609 -12.2608 -9.4402 -9.4401 -8.8134 -8.8133 -7.4024 -7.3994 -7.2935 -7.2757 -7.2428 -7.2245 -7.1181 -7.1145 -5.8007 -5.7999 -5.5853 -5.5848 -4.8920 -4.8917 -4.7571 -4.7565 -4.6383 -4.6379 -4.4669 -4.4663 -3.5102 -3.5098 -3.3986 -3.3984 -2.8622 -2.8618 -2.8576 -2.8567 -2.6226 -2.6225 -2.5467 -2.5464 -2.4316 -2.4303 -2.3755 -2.3746 -2.3024 -2.3010 -2.2767 -2.2760 -2.2615 -2.2613 -2.2105 -2.2094 -1.5901 -1.5898 -1.4472 -1.4470 1.6031 1.6035 1.8513 1.8528 k = 0.3000 0.8128 0.4691 ( 13214 PWs) bands (ev): -23.1675 -23.1675 -23.1362 -23.1362 -20.5358 -20.5357 -20.4629 -20.4629 -17.8550 -17.8550 -17.8494 -17.8494 -17.1679 -17.1679 -17.1608 -17.1608 -12.5689 -12.5688 -12.2784 -12.2784 -9.4099 -9.4098 -8.8434 -8.8433 -7.3966 -7.3933 -7.2965 -7.2800 -7.2385 -7.2215 -7.1241 -7.1202 -5.7910 -5.7902 -5.5965 -5.5959 -4.8865 -4.8861 -4.7641 -4.7635 -4.6255 -4.6250 -4.4706 -4.4700 -3.5028 -3.5024 -3.4027 -3.4026 -2.8627 -2.8621 -2.8590 -2.8581 -2.6190 -2.6189 -2.5510 -2.5507 -2.4280 -2.4267 -2.3703 -2.3692 -2.3019 -2.3001 -2.2794 -2.2785 -2.2721 -2.2719 -2.2166 -2.2153 -1.5819 -1.5816 -1.4533 -1.4531 1.6137 1.6141 1.8366 1.8381 k = 0.3250 0.8128 0.4691 ( 13224 PWs) bands (ev): -23.1658 -23.1658 -23.1380 -23.1380 -20.5317 -20.5317 -20.4670 -20.4669 -17.8546 -17.8546 -17.8497 -17.8497 -17.1675 -17.1675 -17.1612 -17.1612 -12.5545 -12.5544 -12.2967 -12.2966 -9.3779 -9.3779 -8.8751 -8.8750 -7.3906 -7.3869 -7.3004 -7.2854 -7.2331 -7.2175 -7.1306 -7.1263 -5.7807 -5.7799 -5.6082 -5.6075 -4.8805 -4.8801 -4.7715 -4.7709 -4.6123 -4.6119 -4.4749 -4.4742 -3.4953 -3.4949 -3.4072 -3.4070 -2.8631 -2.8625 -2.8603 -2.8593 -2.6153 -2.6151 -2.5553 -2.5551 -2.4239 -2.4226 -2.3651 -2.3638 -2.3028 -2.3005 -2.2860 -2.2846 -2.2774 -2.2773 -2.2228 -2.2215 -1.5735 -1.5732 -1.4597 -1.4595 1.6249 1.6254 1.8218 1.8232 k = 0.3500 0.8128 0.4691 ( 13218 PWs) bands (ev): -23.1640 -23.1640 -23.1398 -23.1398 -20.5275 -20.5275 -20.4713 -20.4712 -17.8543 -17.8542 -17.8500 -17.8499 -17.1671 -17.1671 -17.1616 -17.1616 -12.5392 -12.5391 -12.3155 -12.3154 -9.3446 -9.3445 -8.9082 -8.9081 -7.3842 -7.3801 -7.3050 -7.2916 -7.2269 -7.2128 -7.1374 -7.1326 -5.7699 -5.7690 -5.6203 -5.6196 -4.8741 -4.8737 -4.7792 -4.7786 -4.5991 -4.5986 -4.4798 -4.4791 -3.4878 -3.4875 -3.4119 -3.4117 -2.8636 -2.8629 -2.8615 -2.8605 -2.6113 -2.6112 -2.5596 -2.5594 -2.4194 -2.4180 -2.3603 -2.3586 -2.3071 -2.3046 -2.2924 -2.2910 -2.2787 -2.2787 -2.2291 -2.2277 -1.5650 -1.5646 -1.4666 -1.4663 1.6368 1.6373 1.8068 1.8082 k = 0.3750 0.8128 0.4691 ( 13218 PWs) bands (ev): -23.1621 -23.1621 -23.1418 -23.1417 -20.5231 -20.5230 -20.4757 -20.4756 -17.8539 -17.8539 -17.8503 -17.8502 -17.1666 -17.1666 -17.1620 -17.1620 -12.5231 -12.5230 -12.3348 -12.3347 -9.3100 -9.3099 -8.9426 -8.9425 -7.3776 -7.3731 -7.3103 -7.2982 -7.2201 -7.2074 -7.1444 -7.1392 -5.7586 -5.7577 -5.6327 -5.6320 -4.8673 -4.8669 -4.7873 -4.7866 -4.5860 -4.5854 -4.4855 -4.4848 -3.4805 -3.4801 -3.4170 -3.4167 -2.8640 -2.8632 -2.8625 -2.8615 -2.6072 -2.6071 -2.5639 -2.5638 -2.4142 -2.4129 -2.3563 -2.3542 -2.3144 -2.3123 -2.2954 -2.2945 -2.2786 -2.2784 -2.2354 -2.2340 -1.5563 -1.5560 -1.4737 -1.4735 1.6492 1.6498 1.7918 1.7931 k = 0.4000 0.8128 0.4691 ( 13200 PWs) bands (ev): -23.1602 -23.1602 -23.1438 -23.1437 -20.5186 -20.5185 -20.4803 -20.4802 -17.8535 -17.8535 -17.8506 -17.8506 -17.1662 -17.1662 -17.1624 -17.1624 -12.5062 -12.5061 -12.3543 -12.3542 -9.2744 -9.2743 -8.9780 -8.9779 -7.3709 -7.3659 -7.3162 -7.3053 -7.2130 -7.2015 -7.1517 -7.1461 -5.7469 -5.7460 -5.6454 -5.6446 -4.8602 -4.8597 -4.7955 -4.7949 -4.5730 -4.5725 -4.4919 -4.4913 -3.4732 -3.4728 -3.4222 -3.4220 -2.8643 -2.8635 -2.8633 -2.8623 -2.6030 -2.6029 -2.5682 -2.5681 -2.4085 -2.4071 -2.3546 -2.3521 -2.3209 -2.3190 -2.2980 -2.2973 -2.2773 -2.2768 -2.2417 -2.2402 -1.5477 -1.5473 -1.4812 -1.4809 1.6621 1.6627 1.7768 1.7780 k = 0.4250 0.8128 0.4691 ( 13214 PWs) bands (ev): -23.1582 -23.1582 -23.1458 -23.1458 -20.5139 -20.5138 -20.4850 -20.4849 -17.8531 -17.8531 -17.8509 -17.8509 -17.1657 -17.1657 -17.1629 -17.1629 -12.4886 -12.4886 -12.3740 -12.3739 -9.2380 -9.2379 -9.0143 -9.0142 -7.3639 -7.3585 -7.3224 -7.3126 -7.2056 -7.1951 -7.1592 -7.1531 -5.7348 -5.7339 -5.6582 -5.6574 -4.8528 -4.8523 -4.8039 -4.8032 -4.5605 -4.5599 -4.4993 -4.4986 -3.4661 -3.4657 -3.4278 -3.4275 -2.8646 -2.8640 -2.8638 -2.8630 -2.5988 -2.5987 -2.5726 -2.5725 -2.4021 -2.4007 -2.3569 -2.3544 -2.3234 -2.3219 -2.3012 -2.3005 -2.2751 -2.2742 -2.2478 -2.2462 -1.5390 -1.5386 -1.4889 -1.4886 1.6754 1.6761 1.7618 1.7629 k = 0.4500 0.8128 0.4691 ( 13206 PWs) bands (ev): -23.1562 -23.1561 -23.1478 -23.1478 -20.5091 -20.5091 -20.4897 -20.4897 -17.8527 -17.8527 -17.8513 -17.8512 -17.1653 -17.1653 -17.1634 -17.1634 -12.4705 -12.4704 -12.3937 -12.3936 -9.2010 -9.2009 -9.0512 -9.0511 -7.3569 -7.3509 -7.3290 -7.3202 -7.1980 -7.1885 -7.1669 -7.1602 -5.7224 -5.7216 -5.6711 -5.6703 -4.8451 -4.8445 -4.8123 -4.8117 -4.5485 -4.5479 -4.5075 -4.5068 -3.4591 -3.4587 -3.4336 -3.4333 -2.8649 -2.8645 -2.8640 -2.8635 -2.5944 -2.5943 -2.5769 -2.5769 -2.3950 -2.3936 -2.3629 -2.3609 -2.3215 -2.3207 -2.3048 -2.3043 -2.2720 -2.2709 -2.2535 -2.2520 -1.5303 -1.5300 -1.4969 -1.4966 1.6891 1.6899 1.7468 1.7480 k = 0.4750 0.8128 0.4691 ( 13198 PWs) bands (ev): -23.1541 -23.1541 -23.1499 -23.1499 -20.5043 -20.5042 -20.4946 -20.4945 -17.8524 -17.8523 -17.8516 -17.8516 -17.1648 -17.1648 -17.1638 -17.1638 -12.4518 -12.4517 -12.4133 -12.4132 -9.1636 -9.1635 -9.0885 -9.0884 -7.3498 -7.3432 -7.3358 -7.3278 -7.1902 -7.1815 -7.1746 -7.1673 -5.7098 -5.7090 -5.6841 -5.6833 -4.8371 -4.8365 -4.8207 -4.8201 -4.5371 -4.5364 -4.5165 -4.5158 -3.4524 -3.4520 -3.4396 -3.4393 -2.8650 -2.8648 -2.8640 -2.8638 -2.5900 -2.5900 -2.5813 -2.5812 -2.3873 -2.3859 -2.3708 -2.3691 -2.3176 -2.3174 -2.3089 -2.3085 -2.2682 -2.2669 -2.2589 -2.2574 -1.5218 -1.5215 -1.5050 -1.5047 1.7032 1.7041 1.7321 1.7331 k = 0.5000 0.8128 0.4691 ( 13212 PWs) bands (ev): -23.1520 -23.1520 -23.1520 -23.1520 -20.4994 -20.4994 -20.4994 -20.4994 -17.8520 -17.8520 -17.8520 -17.8520 -17.1643 -17.1643 -17.1643 -17.1643 -12.4327 -12.4327 -12.4327 -12.4327 -9.1261 -9.1261 -9.1260 -9.1260 -7.3428 -7.3428 -7.3355 -7.3355 -7.1824 -7.1824 -7.1745 -7.1745 -5.6970 -5.6970 -5.6962 -5.6962 -4.8290 -4.8290 -4.8284 -4.8284 -4.5264 -4.5264 -4.5257 -4.5257 -3.4459 -3.4459 -3.4455 -3.4455 -2.8650 -2.8650 -2.8640 -2.8640 -2.5857 -2.5857 -2.5856 -2.5856 -2.3791 -2.3791 -2.3776 -2.3776 -2.3132 -2.3132 -2.3130 -2.3130 -2.2638 -2.2638 -2.2624 -2.2624 -1.5133 -1.5133 -1.5130 -1.5130 1.7175 1.7175 1.7185 1.7185 k = 0.5000 0.8128 0.4691 ( 13212 PWs) bands (ev): -23.1520 -23.1520 -23.1520 -23.1520 -20.4994 -20.4994 -20.4994 -20.4994 -17.8520 -17.8520 -17.8520 -17.8520 -17.1643 -17.1643 -17.1643 -17.1643 -12.4327 -12.4327 -12.4327 -12.4327 -9.1261 -9.1261 -9.1260 -9.1260 -7.3428 -7.3428 -7.3355 -7.3355 -7.1824 -7.1824 -7.1745 -7.1745 -5.6970 -5.6970 -5.6962 -5.6962 -4.8290 -4.8290 -4.8284 -4.8284 -4.5264 -4.5264 -4.5257 -4.5257 -3.4459 -3.4459 -3.4455 -3.4455 -2.8650 -2.8650 -2.8640 -2.8640 -2.5857 -2.5857 -2.5856 -2.5856 -2.3791 -2.3791 -2.3776 -2.3776 -2.3132 -2.3132 -2.3130 -2.3130 -2.2638 -2.2638 -2.2624 -2.2624 -1.5133 -1.5133 -1.5130 -1.5130 1.7175 1.7175 1.7185 1.7185 k = 0.5000 0.8153 0.4649 ( 13212 PWs) bands (ev): -23.1520 -23.1520 -23.1520 -23.1520 -20.4994 -20.4994 -20.4994 -20.4994 -17.8520 -17.8520 -17.8520 -17.8520 -17.1643 -17.1643 -17.1643 -17.1643 -12.4327 -12.4327 -12.4327 -12.4327 -9.1261 -9.1261 -9.1260 -9.1260 -7.3428 -7.3428 -7.3355 -7.3355 -7.1824 -7.1824 -7.1745 -7.1745 -5.6970 -5.6970 -5.6962 -5.6962 -4.8290 -4.8290 -4.8284 -4.8284 -4.5264 -4.5264 -4.5257 -4.5257 -3.4459 -3.4459 -3.4455 -3.4455 -2.8649 -2.8649 -2.8640 -2.8640 -2.5857 -2.5857 -2.5856 -2.5856 -2.3792 -2.3792 -2.3777 -2.3777 -2.3132 -2.3132 -2.3130 -2.3130 -2.2638 -2.2638 -2.2624 -2.2624 -1.5133 -1.5133 -1.5130 -1.5130 1.7175 1.7175 1.7185 1.7185 k = 0.5000 0.8153 0.4649 ( 13212 PWs) bands (ev): -23.1520 -23.1520 -23.1520 -23.1520 -20.4994 -20.4994 -20.4994 -20.4994 -17.8520 -17.8520 -17.8520 -17.8520 -17.1643 -17.1643 -17.1643 -17.1643 -12.4327 -12.4327 -12.4327 -12.4327 -9.1261 -9.1261 -9.1260 -9.1260 -7.3428 -7.3428 -7.3355 -7.3355 -7.1824 -7.1824 -7.1745 -7.1745 -5.6970 -5.6970 -5.6962 -5.6962 -4.8290 -4.8290 -4.8284 -4.8284 -4.5264 -4.5264 -4.5257 -4.5257 -3.4459 -3.4459 -3.4455 -3.4455 -2.8649 -2.8649 -2.8640 -2.8640 -2.5857 -2.5857 -2.5856 -2.5856 -2.3792 -2.3792 -2.3777 -2.3777 -2.3132 -2.3132 -2.3130 -2.3130 -2.2638 -2.2638 -2.2624 -2.2624 -1.5133 -1.5133 -1.5130 -1.5130 1.7175 1.7175 1.7185 1.7185 k = 0.5000 0.8151 0.4388 ( 13212 PWs) bands (ev): -23.1520 -23.1520 -23.1520 -23.1520 -20.4994 -20.4994 -20.4994 -20.4994 -17.8520 -17.8520 -17.8520 -17.8520 -17.1643 -17.1643 -17.1643 -17.1643 -12.4327 -12.4327 -12.4327 -12.4327 -9.1261 -9.1261 -9.1260 -9.1260 -7.3428 -7.3428 -7.3355 -7.3355 -7.1825 -7.1825 -7.1745 -7.1745 -5.6967 -5.6967 -5.6959 -5.6959 -4.8290 -4.8290 -4.8284 -4.8284 -4.5264 -4.5264 -4.5257 -4.5257 -3.4456 -3.4456 -3.4452 -3.4452 -2.8649 -2.8649 -2.8638 -2.8638 -2.5869 -2.5869 -2.5862 -2.5862 -2.3808 -2.3808 -2.3791 -2.3791 -2.3131 -2.3131 -2.3118 -2.3118 -2.2631 -2.2631 -2.2617 -2.2617 -1.5136 -1.5136 -1.5131 -1.5131 1.7189 1.7189 1.7199 1.7199 k = 0.5000 0.8150 0.4128 ( 13224 PWs) bands (ev): -23.1520 -23.1520 -23.1520 -23.1520 -20.4994 -20.4994 -20.4994 -20.4994 -17.8520 -17.8520 -17.8520 -17.8520 -17.1643 -17.1643 -17.1643 -17.1643 -12.4328 -12.4328 -12.4327 -12.4327 -9.1261 -9.1261 -9.1260 -9.1260 -7.3428 -7.3428 -7.3355 -7.3355 -7.1826 -7.1826 -7.1747 -7.1747 -5.6959 -5.6959 -5.6951 -5.6951 -4.8290 -4.8290 -4.8284 -4.8284 -4.5263 -4.5263 -4.5257 -4.5257 -3.4453 -3.4453 -3.4448 -3.4448 -2.8647 -2.8647 -2.8633 -2.8633 -2.5892 -2.5892 -2.5878 -2.5878 -2.3837 -2.3837 -2.3818 -2.3818 -2.3122 -2.3122 -2.3099 -2.3099 -2.2614 -2.2614 -2.2599 -2.2599 -1.5150 -1.5150 -1.5143 -1.5143 1.7226 1.7226 1.7236 1.7236 k = 0.5000 0.8149 0.3867 ( 13222 PWs) bands (ev): -23.1520 -23.1520 -23.1520 -23.1520 -20.4994 -20.4994 -20.4994 -20.4994 -17.8520 -17.8520 -17.8520 -17.8520 -17.1643 -17.1643 -17.1643 -17.1643 -12.4328 -12.4328 -12.4327 -12.4327 -9.1261 -9.1261 -9.1260 -9.1260 -7.3428 -7.3428 -7.3355 -7.3355 -7.1829 -7.1829 -7.1749 -7.1749 -5.6947 -5.6947 -5.6939 -5.6939 -4.8290 -4.8290 -4.8284 -4.8284 -4.5263 -4.5263 -4.5256 -4.5256 -3.4449 -3.4449 -3.4442 -3.4442 -2.8645 -2.8645 -2.8626 -2.8626 -2.5925 -2.5925 -2.5905 -2.5905 -2.3872 -2.3872 -2.3851 -2.3851 -2.3108 -2.3108 -2.3078 -2.3078 -2.2589 -2.2589 -2.2573 -2.2573 -1.5173 -1.5173 -1.5163 -1.5163 1.7284 1.7284 1.7294 1.7294 k = 0.5000 0.8147 0.3607 ( 13224 PWs) bands (ev): -23.1520 -23.1520 -23.1520 -23.1520 -20.4994 -20.4994 -20.4994 -20.4994 -17.8520 -17.8520 -17.8520 -17.8520 -17.1643 -17.1643 -17.1643 -17.1643 -12.4328 -12.4328 -12.4328 -12.4328 -9.1262 -9.1262 -9.1261 -9.1261 -7.3428 -7.3428 -7.3355 -7.3355 -7.1832 -7.1832 -7.1752 -7.1752 -5.6932 -5.6932 -5.6923 -5.6923 -4.8290 -4.8290 -4.8284 -4.8284 -4.5263 -4.5263 -4.5255 -4.5255 -3.4444 -3.4444 -3.4436 -3.4436 -2.8641 -2.8641 -2.8618 -2.8618 -2.5968 -2.5968 -2.5942 -2.5942 -2.3908 -2.3908 -2.3886 -2.3886 -2.3094 -2.3094 -2.3058 -2.3058 -2.2560 -2.2560 -2.2541 -2.2541 -1.5205 -1.5205 -1.5192 -1.5192 1.7362 1.7362 1.7372 1.7372 k = 0.5000 0.8146 0.3346 ( 13232 PWs) bands (ev): -23.1520 -23.1520 -23.1520 -23.1520 -20.4994 -20.4994 -20.4994 -20.4994 -17.8520 -17.8520 -17.8520 -17.8520 -17.1643 -17.1643 -17.1643 -17.1643 -12.4329 -12.4329 -12.4328 -12.4328 -9.1262 -9.1262 -9.1261 -9.1261 -7.3428 -7.3428 -7.3355 -7.3355 -7.1836 -7.1836 -7.1756 -7.1756 -5.6912 -5.6912 -5.6904 -5.6904 -4.8290 -4.8290 -4.8283 -4.8283 -4.5262 -4.5262 -4.5254 -4.5254 -3.4438 -3.4438 -3.4429 -3.4429 -2.8636 -2.8636 -2.8609 -2.8609 -2.6019 -2.6019 -2.5989 -2.5989 -2.3939 -2.3939 -2.3916 -2.3916 -2.3083 -2.3083 -2.3042 -2.3042 -2.2529 -2.2529 -2.2507 -2.2507 -1.5242 -1.5242 -1.5228 -1.5228 1.7456 1.7456 1.7467 1.7467 k = 0.5000 0.8145 0.3085 ( 13218 PWs) bands (ev): -23.1520 -23.1520 -23.1520 -23.1520 -20.4994 -20.4994 -20.4994 -20.4994 -17.8520 -17.8520 -17.8520 -17.8520 -17.1643 -17.1643 -17.1643 -17.1643 -12.4330 -12.4330 -12.4329 -12.4329 -9.1263 -9.1263 -9.1262 -9.1262 -7.3428 -7.3428 -7.3355 -7.3355 -7.1840 -7.1840 -7.1761 -7.1761 -5.6890 -5.6890 -5.6881 -5.6881 -4.8290 -4.8290 -4.8283 -4.8283 -4.5261 -4.5261 -4.5253 -4.5253 -3.4432 -3.4432 -3.4422 -3.4422 -2.8630 -2.8630 -2.8599 -2.8599 -2.6077 -2.6077 -2.6042 -2.6042 -2.3961 -2.3961 -2.3939 -2.3939 -2.3075 -2.3075 -2.3029 -2.3029 -2.2500 -2.2500 -2.2475 -2.2475 -1.5285 -1.5285 -1.5268 -1.5268 1.7565 1.7565 1.7576 1.7576 k = 0.5000 0.8143 0.2825 ( 13208 PWs) bands (ev): -23.1520 -23.1520 -23.1520 -23.1520 -20.4994 -20.4994 -20.4994 -20.4994 -17.8520 -17.8520 -17.8520 -17.8520 -17.1643 -17.1643 -17.1643 -17.1643 -12.4330 -12.4330 -12.4329 -12.4329 -9.1264 -9.1264 -9.1263 -9.1263 -7.3428 -7.3428 -7.3355 -7.3355 -7.1845 -7.1845 -7.1765 -7.1765 -5.6865 -5.6865 -5.6857 -5.6857 -4.8290 -4.8290 -4.8283 -4.8283 -4.5260 -4.5260 -4.5252 -4.5252 -3.4425 -3.4425 -3.4415 -3.4415 -2.8623 -2.8623 -2.8589 -2.8589 -2.6140 -2.6140 -2.6102 -2.6102 -2.3973 -2.3973 -2.3952 -2.3952 -2.3072 -2.3072 -2.3020 -2.3020 -2.2477 -2.2477 -2.2448 -2.2448 -1.5330 -1.5330 -1.5312 -1.5312 1.7683 1.7683 1.7694 1.7694 k = 0.5000 0.8142 0.2564 ( 13210 PWs) bands (ev): -23.1520 -23.1520 -23.1520 -23.1520 -20.4994 -20.4994 -20.4994 -20.4994 -17.8520 -17.8520 -17.8520 -17.8520 -17.1643 -17.1643 -17.1643 -17.1643 -12.4331 -12.4331 -12.4330 -12.4330 -9.1264 -9.1264 -9.1264 -9.1264 -7.3428 -7.3428 -7.3355 -7.3355 -7.1851 -7.1851 -7.1770 -7.1770 -5.6839 -5.6839 -5.6831 -5.6831 -4.8290 -4.8290 -4.8282 -4.8282 -4.5259 -4.5259 -4.5251 -4.5251 -3.4419 -3.4419 -3.4408 -3.4408 -2.8615 -2.8615 -2.8579 -2.8579 -2.6206 -2.6206 -2.6165 -2.6165 -2.3974 -2.3974 -2.3953 -2.3953 -2.3072 -2.3072 -2.3015 -2.3015 -2.2462 -2.2462 -2.2429 -2.2429 -1.5375 -1.5375 -1.5357 -1.5357 1.7808 1.7808 1.7820 1.7820 k = 0.5000 0.8141 0.2303 ( 13212 PWs) bands (ev): -23.1520 -23.1520 -23.1520 -23.1520 -20.4994 -20.4994 -20.4994 -20.4994 -17.8520 -17.8520 -17.8520 -17.8520 -17.1642 -17.1642 -17.1642 -17.1642 -12.4332 -12.4332 -12.4331 -12.4331 -9.1265 -9.1265 -9.1264 -9.1264 -7.3429 -7.3429 -7.3355 -7.3355 -7.1856 -7.1856 -7.1776 -7.1776 -5.6813 -5.6813 -5.6804 -5.6804 -4.8289 -4.8289 -4.8282 -4.8282 -4.5258 -4.5258 -4.5250 -4.5250 -3.4412 -3.4412 -3.4401 -3.4401 -2.8607 -2.8607 -2.8569 -2.8569 -2.6272 -2.6272 -2.6230 -2.6230 -2.3963 -2.3963 -2.3942 -2.3942 -2.3077 -2.3077 -2.3012 -2.3012 -2.2456 -2.2456 -2.2419 -2.2419 -1.5420 -1.5420 -1.5401 -1.5401 1.7936 1.7936 1.7947 1.7947 k = 0.5000 0.8139 0.2043 ( 13212 PWs) bands (ev): -23.1520 -23.1520 -23.1520 -23.1520 -20.4994 -20.4994 -20.4994 -20.4994 -17.8520 -17.8520 -17.8520 -17.8520 -17.1642 -17.1642 -17.1642 -17.1642 -12.4332 -12.4332 -12.4332 -12.4332 -9.1266 -9.1266 -9.1265 -9.1265 -7.3429 -7.3429 -7.3355 -7.3355 -7.1861 -7.1861 -7.1781 -7.1781 -5.6786 -5.6786 -5.6777 -5.6777 -4.8289 -4.8289 -4.8281 -4.8281 -4.5257 -4.5257 -4.5249 -4.5249 -3.4406 -3.4406 -3.4395 -3.4395 -2.8599 -2.8599 -2.8560 -2.8560 -2.6336 -2.6336 -2.6294 -2.6294 -2.3942 -2.3942 -2.3919 -2.3919 -2.3085 -2.3085 -2.3014 -2.3014 -2.2460 -2.2460 -2.2419 -2.2419 -1.5462 -1.5462 -1.5443 -1.5443 1.8061 1.8061 1.8073 1.8073 k = 0.5000 0.8138 0.1782 ( 13210 PWs) bands (ev): -23.1520 -23.1520 -23.1520 -23.1520 -20.4994 -20.4994 -20.4994 -20.4994 -17.8520 -17.8520 -17.8520 -17.8520 -17.1642 -17.1642 -17.1642 -17.1642 -12.4333 -12.4333 -12.4332 -12.4332 -9.1267 -9.1267 -9.1266 -9.1266 -7.3429 -7.3429 -7.3355 -7.3355 -7.1866 -7.1866 -7.1786 -7.1786 -5.6760 -5.6760 -5.6751 -5.6751 -4.8289 -4.8289 -4.8280 -4.8280 -4.5256 -4.5256 -4.5247 -4.5247 -3.4401 -3.4401 -3.4389 -3.4389 -2.8590 -2.8590 -2.8552 -2.8552 -2.6396 -2.6396 -2.6355 -2.6355 -2.3912 -2.3912 -2.3886 -2.3886 -2.3098 -2.3098 -2.3021 -2.3021 -2.2472 -2.2472 -2.2428 -2.2428 -1.5500 -1.5500 -1.5482 -1.5482 1.8182 1.8182 1.8193 1.8193 k = 0.5000 0.8136 0.1522 ( 13206 PWs) bands (ev): -23.1520 -23.1520 -23.1520 -23.1520 -20.4994 -20.4994 -20.4994 -20.4994 -17.8520 -17.8520 -17.8520 -17.8520 -17.1642 -17.1642 -17.1642 -17.1642 -12.4334 -12.4334 -12.4333 -12.4333 -9.1267 -9.1267 -9.1266 -9.1266 -7.3429 -7.3429 -7.3355 -7.3355 -7.1871 -7.1871 -7.1791 -7.1791 -5.6735 -5.6735 -5.6727 -5.6727 -4.8288 -4.8288 -4.8280 -4.8280 -4.5256 -4.5256 -4.5246 -4.5246 -3.4396 -3.4396 -3.4384 -3.4384 -2.8582 -2.8582 -2.8546 -2.8546 -2.6450 -2.6450 -2.6412 -2.6412 -2.3873 -2.3873 -2.3844 -2.3844 -2.3115 -2.3115 -2.3032 -2.3032 -2.2490 -2.2490 -2.2445 -2.2445 -1.5533 -1.5533 -1.5517 -1.5517 1.8294 1.8294 1.8305 1.8305 k = 0.5000 0.8135 0.1261 ( 13206 PWs) bands (ev): -23.1520 -23.1520 -23.1520 -23.1520 -20.4994 -20.4994 -20.4994 -20.4994 -17.8520 -17.8520 -17.8520 -17.8520 -17.1642 -17.1642 -17.1642 -17.1642 -12.4334 -12.4334 -12.4334 -12.4334 -9.1268 -9.1268 -9.1267 -9.1267 -7.3429 -7.3429 -7.3355 -7.3355 -7.1876 -7.1876 -7.1795 -7.1795 -5.6713 -5.6713 -5.6705 -5.6705 -4.8288 -4.8288 -4.8279 -4.8279 -4.5255 -4.5255 -4.5245 -4.5245 -3.4391 -3.4391 -3.4380 -3.4380 -2.8574 -2.8574 -2.8541 -2.8541 -2.6498 -2.6498 -2.6463 -2.6463 -2.3827 -2.3827 -2.3795 -2.3795 -2.3136 -2.3136 -2.3051 -2.3051 -2.2513 -2.2513 -2.2467 -2.2467 -1.5561 -1.5561 -1.5546 -1.5546 1.8393 1.8393 1.8405 1.8405 k = 0.5000 0.8134 0.1000 ( 13206 PWs) bands (ev): -23.1520 -23.1520 -23.1520 -23.1520 -20.4994 -20.4994 -20.4994 -20.4994 -17.8520 -17.8520 -17.8520 -17.8520 -17.1642 -17.1642 -17.1642 -17.1642 -12.4335 -12.4335 -12.4334 -12.4334 -9.1268 -9.1268 -9.1268 -9.1268 -7.3429 -7.3429 -7.3355 -7.3355 -7.1879 -7.1879 -7.1798 -7.1798 -5.6695 -5.6695 -5.6686 -5.6686 -4.8287 -4.8287 -4.8279 -4.8279 -4.5254 -4.5254 -4.5245 -4.5245 -3.4387 -3.4387 -3.4377 -3.4377 -2.8566 -2.8566 -2.8538 -2.8538 -2.6536 -2.6536 -2.6506 -2.6506 -2.3776 -2.3776 -2.3742 -2.3742 -2.3160 -2.3160 -2.3076 -2.3076 -2.2535 -2.2535 -2.2492 -2.2492 -1.5583 -1.5583 -1.5571 -1.5571 1.8479 1.8479 1.8490 1.8490 k = 0.5000 0.8132 0.0740 ( 13204 PWs) bands (ev): -23.1520 -23.1520 -23.1520 -23.1520 -20.4994 -20.4994 -20.4994 -20.4994 -17.8520 -17.8520 -17.8520 -17.8520 -17.1642 -17.1642 -17.1642 -17.1642 -12.4335 -12.4335 -12.4335 -12.4335 -9.1269 -9.1269 -9.1268 -9.1268 -7.3429 -7.3429 -7.3355 -7.3355 -7.1882 -7.1882 -7.1801 -7.1801 -5.6679 -5.6679 -5.6670 -5.6670 -4.8287 -4.8287 -4.8279 -4.8279 -4.5253 -4.5253 -4.5244 -4.5244 -3.4384 -3.4384 -3.4375 -3.4375 -2.8560 -2.8560 -2.8536 -2.8536 -2.6566 -2.6566 -2.6542 -2.6542 -2.3724 -2.3724 -2.3690 -2.3690 -2.3185 -2.3185 -2.3109 -2.3109 -2.2555 -2.2555 -2.2517 -2.2517 -1.5600 -1.5600 -1.5591 -1.5591 1.8547 1.8547 1.8558 1.8558 k = 0.5000 0.8131 0.0479 ( 13206 PWs) bands (ev): -23.1520 -23.1520 -23.1520 -23.1520 -20.4994 -20.4994 -20.4994 -20.4994 -17.8520 -17.8520 -17.8520 -17.8520 -17.1642 -17.1642 -17.1642 -17.1642 -12.4336 -12.4336 -12.4335 -12.4335 -9.1269 -9.1269 -9.1268 -9.1268 -7.3430 -7.3430 -7.3355 -7.3355 -7.1884 -7.1884 -7.1803 -7.1803 -5.6668 -5.6668 -5.6659 -5.6659 -4.8287 -4.8287 -4.8278 -4.8278 -4.5253 -4.5253 -4.5243 -4.5243 -3.4382 -3.4382 -3.4374 -3.4374 -2.8554 -2.8554 -2.8536 -2.8536 -2.6587 -2.6587 -2.6569 -2.6569 -2.3675 -2.3675 -2.3644 -2.3644 -2.3207 -2.3207 -2.3146 -2.3146 -2.2568 -2.2568 -2.2539 -2.2539 -1.5612 -1.5612 -1.5605 -1.5605 1.8598 1.8598 1.8608 1.8608 k = 0.5000 0.8130 0.0219 ( 13204 PWs) bands (ev): -23.1520 -23.1520 -23.1520 -23.1520 -20.4994 -20.4994 -20.4994 -20.4994 -17.8520 -17.8520 -17.8520 -17.8520 -17.1642 -17.1642 -17.1642 -17.1642 -12.4336 -12.4336 -12.4335 -12.4335 -9.1269 -9.1269 -9.1269 -9.1269 -7.3430 -7.3430 -7.3355 -7.3355 -7.1886 -7.1886 -7.1805 -7.1805 -5.6661 -5.6661 -5.6652 -5.6652 -4.8287 -4.8287 -4.8278 -4.8278 -4.5252 -4.5252 -4.5243 -4.5243 -3.4381 -3.4381 -3.4373 -3.4373 -2.8549 -2.8549 -2.8537 -2.8537 -2.6598 -2.6598 -2.6586 -2.6586 -2.3635 -2.3635 -2.3616 -2.3616 -2.3217 -2.3217 -2.3182 -2.3182 -2.2574 -2.2574 -2.2555 -2.2555 -1.5618 -1.5618 -1.5614 -1.5614 1.8628 1.8628 1.8638 1.8638 k = 0.5000 0.8128-0.0042 ( 13216 PWs) bands (ev): -23.1520 -23.1520 -23.1520 -23.1520 -20.4994 -20.4994 -20.4994 -20.4994 -17.8520 -17.8520 -17.8520 -17.8520 -17.1642 -17.1642 -17.1642 -17.1642 -12.4336 -12.4336 -12.4335 -12.4335 -9.1270 -9.1270 -9.1269 -9.1269 -7.3430 -7.3430 -7.3355 -7.3355 -7.1886 -7.1886 -7.1805 -7.1805 -5.6658 -5.6658 -5.6650 -5.6650 -4.8287 -4.8287 -4.8278 -4.8278 -4.5252 -4.5252 -4.5243 -4.5243 -3.4381 -3.4381 -3.4373 -3.4373 -2.8547 -2.8547 -2.8538 -2.8538 -2.6601 -2.6601 -2.6593 -2.6593 -2.3613 -2.3613 -2.3611 -2.3611 -2.3211 -2.3211 -2.3206 -2.3206 -2.2575 -2.2575 -2.2562 -2.2562 -1.5619 -1.5619 -1.5618 -1.5618 1.8638 1.8638 1.8648 1.8648 k = 0.5000 0.8128-0.0042 ( 13216 PWs) bands (ev): -23.1520 -23.1520 -23.1520 -23.1520 -20.4994 -20.4994 -20.4994 -20.4994 -17.8520 -17.8520 -17.8520 -17.8520 -17.1642 -17.1642 -17.1642 -17.1642 -12.4336 -12.4336 -12.4335 -12.4335 -9.1270 -9.1270 -9.1269 -9.1269 -7.3430 -7.3430 -7.3355 -7.3355 -7.1886 -7.1886 -7.1805 -7.1805 -5.6658 -5.6658 -5.6650 -5.6650 -4.8287 -4.8287 -4.8278 -4.8278 -4.5252 -4.5252 -4.5243 -4.5243 -3.4381 -3.4381 -3.4373 -3.4373 -2.8547 -2.8547 -2.8538 -2.8538 -2.6601 -2.6601 -2.6593 -2.6593 -2.3613 -2.3613 -2.3611 -2.3611 -2.3211 -2.3211 -2.3206 -2.3206 -2.2575 -2.2575 -2.2562 -2.2562 -1.5619 -1.5619 -1.5618 -1.5618 1.8638 1.8638 1.8648 1.8648 k = 0.4750 0.8128-0.0042 ( 13214 PWs) bands (ev): -23.1541 -23.1541 -23.1499 -23.1499 -20.5043 -20.5042 -20.4946 -20.4945 -17.8523 -17.8523 -17.8516 -17.8516 -17.1647 -17.1646 -17.1637 -17.1637 -12.4530 -12.4529 -12.4138 -12.4137 -9.1646 -9.1646 -9.0893 -9.0892 -7.3496 -7.3429 -7.3365 -7.3282 -7.1985 -7.1895 -7.1787 -7.1713 -5.6773 -5.6764 -5.6543 -5.6534 -4.8377 -4.8368 -4.8197 -4.8188 -4.5371 -4.5362 -4.5142 -4.5133 -3.4434 -3.4426 -3.4322 -3.4314 -2.8552 -2.8544 -2.8542 -2.8535 -2.6625 -2.6616 -2.6578 -2.6570 -2.3712 -2.3711 -2.3536 -2.3528 -2.3232 -2.3230 -2.3175 -2.3166 -2.2610 -2.2597 -2.2533 -2.2519 -1.5710 -1.5709 -1.5528 -1.5527 1.8591 1.8600 1.8685 1.8695 k = 0.4500 0.8128-0.0042 ( 13200 PWs) bands (ev): -23.1562 -23.1562 -23.1478 -23.1478 -20.5091 -20.5091 -20.4897 -20.4897 -17.8527 -17.8527 -17.8512 -17.8512 -17.1651 -17.1651 -17.1632 -17.1632 -12.4720 -12.4720 -12.3938 -12.3938 -9.2021 -9.2021 -9.0519 -9.0518 -7.3563 -7.3503 -7.3303 -7.3210 -7.2082 -7.1982 -7.1687 -7.1620 -5.6886 -5.6877 -5.6427 -5.6419 -4.8466 -4.8458 -4.8108 -4.8099 -4.5496 -4.5488 -4.5041 -4.5032 -3.4483 -3.4475 -3.4260 -3.4252 -2.8558 -2.8548 -2.8541 -2.8532 -2.6647 -2.6638 -2.6555 -2.6547 -2.3819 -2.3816 -2.3499 -2.3486 -2.3228 -2.3219 -2.3131 -2.3120 -2.2633 -2.2621 -2.2484 -2.2470 -1.5800 -1.5799 -1.5438 -1.5437 1.8542 1.8550 1.8729 1.8740 k = 0.4250 0.8128-0.0042 ( 13204 PWs) bands (ev): -23.1582 -23.1582 -23.1458 -23.1457 -20.5139 -20.5138 -20.4850 -20.4849 -17.8531 -17.8531 -17.8509 -17.8509 -17.1656 -17.1656 -17.1627 -17.1627 -12.4905 -12.4905 -12.3737 -12.3737 -9.2393 -9.2392 -9.0149 -9.0149 -7.3630 -7.3576 -7.3244 -7.3140 -7.2176 -7.2064 -7.1588 -7.1527 -5.6997 -5.6988 -5.6311 -5.6303 -4.8554 -4.8546 -4.8020 -4.8012 -4.5628 -4.5620 -4.4950 -4.4940 -3.4525 -3.4518 -3.4196 -3.4188 -2.8566 -2.8555 -2.8539 -2.8531 -2.6669 -2.6660 -2.6533 -2.6525 -2.3925 -2.3922 -2.3509 -2.3493 -2.3191 -2.3179 -2.3080 -2.3070 -2.2640 -2.2630 -2.2431 -2.2417 -1.5888 -1.5888 -1.5349 -1.5347 1.8492 1.8500 1.8771 1.8783 k = 0.4000 0.8128-0.0042 ( 13206 PWs) bands (ev): -23.1602 -23.1602 -23.1437 -23.1437 -20.5186 -20.5185 -20.4803 -20.4802 -17.8535 -17.8535 -17.8506 -17.8506 -17.1661 -17.1661 -17.1623 -17.1623 -12.5084 -12.5083 -12.3537 -12.3536 -9.2758 -9.2757 -8.9786 -8.9785 -7.3697 -7.3648 -7.3191 -7.3072 -7.2266 -7.2141 -7.1490 -7.1435 -5.7105 -5.7096 -5.6197 -5.6189 -4.8640 -4.8633 -4.7935 -4.7926 -4.5765 -4.5756 -4.4869 -4.4859 -3.4562 -3.4555 -3.4129 -3.4121 -2.8574 -2.8563 -2.8538 -2.8531 -2.6691 -2.6682 -2.6511 -2.6504 -2.4029 -2.4025 -2.3545 -2.3530 -2.3150 -2.3139 -2.3025 -2.3016 -2.2624 -2.2616 -2.2375 -2.2361 -1.5976 -1.5975 -1.5261 -1.5259 1.8442 1.8450 1.8810 1.8822 k = 0.3750 0.8128-0.0042 ( 13202 PWs) bands (ev): -23.1622 -23.1621 -23.1417 -23.1417 -20.5231 -20.5231 -20.4757 -20.4756 -17.8539 -17.8538 -17.8503 -17.8502 -17.1665 -17.1665 -17.1618 -17.1618 -12.5256 -12.5255 -12.3338 -12.3337 -9.3115 -9.3115 -8.9432 -8.9431 -7.3762 -7.3718 -7.3145 -7.3010 -7.2350 -7.2210 -7.1395 -7.1344 -5.7211 -5.7201 -5.6083 -5.6076 -4.8724 -4.8717 -4.7852 -4.7843 -4.5904 -4.5896 -4.4798 -4.4788 -3.4593 -3.4586 -3.4061 -3.4053 -2.8584 -2.8573 -2.8538 -2.8532 -2.6711 -2.6703 -2.6491 -2.6484 -2.4128 -2.4124 -2.3592 -2.3578 -2.3120 -2.3110 -2.2977 -2.2969 -2.2578 -2.2572 -2.2317 -2.2303 -1.6061 -1.6060 -1.5174 -1.5173 1.8393 1.8399 1.8847 1.8859 k = 0.3500 0.8128-0.0042 ( 13210 PWs) bands (ev): -23.1641 -23.1640 -23.1398 -23.1398 -20.5275 -20.5275 -20.4713 -20.4712 -17.8542 -17.8542 -17.8500 -17.8499 -17.1669 -17.1669 -17.1614 -17.1614 -12.5420 -12.5419 -12.3141 -12.3141 -9.3463 -9.3462 -8.9088 -8.9087 -7.3826 -7.3786 -7.3107 -7.2955 -7.2426 -7.2269 -7.1302 -7.1255 -5.7313 -5.7303 -5.5972 -5.5965 -4.8806 -4.8799 -4.7772 -4.7764 -4.6045 -4.6038 -4.4737 -4.4727 -3.4617 -3.4610 -3.3993 -3.3985 -2.8595 -2.8584 -2.8539 -2.8533 -2.6731 -2.6722 -2.6473 -2.6466 -2.4220 -2.4216 -2.3644 -2.3632 -2.3104 -2.3093 -2.2941 -2.2933 -2.2504 -2.2499 -2.2258 -2.2244 -1.6144 -1.6143 -1.5091 -1.5090 1.8344 1.8350 1.8880 1.8893 k = 0.3250 0.8128-0.0042 ( 13222 PWs) bands (ev): -23.1659 -23.1658 -23.1380 -23.1379 -20.5318 -20.5317 -20.4670 -20.4669 -17.8546 -17.8546 -17.8497 -17.8497 -17.1674 -17.1674 -17.1610 -17.1610 -12.5575 -12.5575 -12.2949 -12.2949 -9.3798 -9.3798 -8.8756 -8.8755 -7.3888 -7.3852 -7.3079 -7.2912 -7.2489 -7.2316 -7.1212 -7.1170 -5.7410 -5.7401 -5.5863 -5.5857 -4.8884 -4.8877 -4.7697 -4.7689 -4.6186 -4.6179 -4.4685 -4.4676 -3.4635 -3.4628 -3.3925 -3.3918 -2.8607 -2.8597 -2.8540 -2.8534 -2.6749 -2.6741 -2.6457 -2.6451 -2.4305 -2.4301 -2.3697 -2.3686 -2.3098 -2.3088 -2.2914 -2.2905 -2.2411 -2.2407 -2.2198 -2.2185 -1.6223 -1.6223 -1.5010 -1.5009 1.8296 1.8301 1.8910 1.8923 k = 0.3000 0.8128-0.0042 ( 13220 PWs) bands (ev): -23.1676 -23.1675 -23.1362 -23.1362 -20.5358 -20.5357 -20.4629 -20.4629 -17.8550 -17.8549 -17.8494 -17.8494 -17.1678 -17.1678 -17.1606 -17.1606 -12.5722 -12.5721 -12.2763 -12.2763 -9.4119 -9.4119 -8.8439 -8.8438 -7.3947 -7.3915 -7.3064 -7.2889 -7.2531 -7.2351 -7.1126 -7.1088 -5.7504 -5.7495 -5.5758 -5.5752 -4.8958 -4.8952 -4.7626 -4.7618 -4.6325 -4.6318 -4.4643 -4.4634 -3.4646 -3.4641 -3.3859 -3.3852 -2.8620 -2.8610 -2.8541 -2.8536 -2.6767 -2.6759 -2.6444 -2.6439 -2.4382 -2.4378 -2.3750 -2.3740 -2.3101 -2.3090 -2.2890 -2.2882 -2.2308 -2.2304 -2.2139 -2.2128 -1.6300 -1.6299 -1.4933 -1.4932 1.8249 1.8254 1.8937 1.8950 k = 0.2750 0.8128-0.0042 ( 13208 PWs) bands (ev): -23.1692 -23.1692 -23.1345 -23.1345 -20.5396 -20.5396 -20.4591 -20.4590 -17.8553 -17.8553 -17.8492 -17.8491 -17.1681 -17.1681 -17.1602 -17.1602 -12.5859 -12.5858 -12.2584 -12.2584 -9.4424 -9.4424 -8.8139 -8.8138 -7.4002 -7.3974 -7.3061 -7.2891 -7.2546 -7.2371 -7.1044 -7.1010 -5.7592 -5.7583 -5.5658 -5.5652 -4.9028 -4.9023 -4.7560 -4.7553 -4.6460 -4.6454 -4.4608 -4.4600 -3.4653 -3.4647 -3.3795 -3.3789 -2.8634 -2.8624 -2.8542 -2.8539 -2.6783 -2.6776 -2.6434 -2.6429 -2.4451 -2.4447 -2.3801 -2.3793 -2.3108 -2.3099 -2.2869 -2.2861 -2.2201 -2.2198 -2.2082 -2.2071 -1.6372 -1.6372 -1.4860 -1.4859 1.8205 1.8209 1.8961 1.8973 k = 0.2500 0.8128-0.0042 ( 13204 PWs) bands (ev): -23.1707 -23.1707 -23.1329 -23.1329 -20.5432 -20.5431 -20.4555 -20.4554 -17.8556 -17.8556 -17.8489 -17.8489 -17.1685 -17.1685 -17.1598 -17.1598 -12.5986 -12.5985 -12.2414 -12.2413 -9.4711 -9.4711 -8.7857 -8.7856 -7.4055 -7.4029 -7.3070 -7.2917 -7.2535 -7.2379 -7.0968 -7.0937 -5.7674 -5.7666 -5.5562 -5.5557 -4.9094 -4.9089 -4.7500 -4.7493 -4.6589 -4.6583 -4.4581 -4.4573 -3.4654 -3.4649 -3.3735 -3.3728 -2.8648 -2.8639 -2.8544 -2.8541 -2.6798 -2.6791 -2.6427 -2.6423 -2.4511 -2.4507 -2.3850 -2.3843 -2.3118 -2.3110 -2.2849 -2.2841 -2.2096 -2.2093 -2.2026 -2.2016 -1.6440 -1.6440 -1.4791 -1.4790 1.8162 1.8166 1.8981 1.8993 k = 0.2250 0.8128-0.0042 ( 13212 PWs) bands (ev): -23.1721 -23.1721 -23.1315 -23.1315 -20.5464 -20.5464 -20.4522 -20.4521 -17.8559 -17.8559 -17.8487 -17.8487 -17.1688 -17.1688 -17.1595 -17.1595 -12.6102 -12.6101 -12.2254 -12.2254 -9.4978 -9.4977 -8.7595 -8.7594 -7.4103 -7.4081 -7.3087 -7.2958 -7.2509 -7.2376 -7.0897 -7.0869 -5.7751 -5.7743 -5.5472 -5.5468 -4.9154 -4.9150 -4.7447 -4.7440 -4.6711 -4.6706 -4.4561 -4.4553 -3.4652 -3.4647 -3.3677 -3.3672 -2.8663 -2.8655 -2.8546 -2.8543 -2.6812 -2.6806 -2.6423 -2.6420 -2.4562 -2.4559 -2.3896 -2.3890 -2.3130 -2.3122 -2.2830 -2.2823 -2.1999 -2.1996 -2.1969 -2.1961 -1.6503 -1.6503 -1.4727 -1.4726 1.8123 1.8126 1.8998 1.9010 k = 0.2000 0.8128-0.0042 ( 13210 PWs) bands (ev): -23.1733 -23.1733 -23.1301 -23.1301 -20.5494 -20.5494 -20.4491 -20.4491 -17.8562 -17.8562 -17.8485 -17.8485 -17.1691 -17.1691 -17.1592 -17.1592 -12.6207 -12.6206 -12.2106 -12.2106 -9.5222 -9.5222 -8.7356 -8.7355 -7.4147 -7.4128 -7.3110 -7.3004 -7.2476 -7.2366 -7.0832 -7.0807 -5.7821 -5.7814 -5.5389 -5.5385 -4.9210 -4.9206 -4.7400 -4.7393 -4.6824 -4.6819 -4.4546 -4.4539 -3.4646 -3.4642 -3.3625 -3.3620 -2.8678 -2.8670 -2.8548 -2.8546 -2.6824 -2.6819 -2.6422 -2.6419 -2.4605 -2.4602 -2.3939 -2.3933 -2.3141 -2.3135 -2.2813 -2.2807 -2.1935 -2.1929 -2.1888 -2.1885 -1.6562 -1.6562 -1.4669 -1.4668 1.8086 1.8088 1.9013 1.9023 k = 0.1750 0.8128-0.0042 ( 13216 PWs) bands (ev): -23.1745 -23.1745 -23.1289 -23.1289 -20.5521 -20.5521 -20.4464 -20.4464 -17.8564 -17.8564 -17.8484 -17.8484 -17.1694 -17.1694 -17.1589 -17.1589 -12.6300 -12.6300 -12.1971 -12.1971 -9.5443 -9.5443 -8.7140 -8.7139 -7.4187 -7.4170 -7.3136 -7.3050 -7.2442 -7.2353 -7.0773 -7.0752 -5.7884 -5.7877 -5.5314 -5.5310 -4.9259 -4.9256 -4.7360 -4.7354 -4.6925 -4.6920 -4.4535 -4.4528 -3.4638 -3.4634 -3.3577 -3.3572 -2.8692 -2.8685 -2.8549 -2.8548 -2.6836 -2.6831 -2.6424 -2.6421 -2.4640 -2.4638 -2.3977 -2.3973 -2.3152 -2.3147 -2.2798 -2.2793 -2.1890 -2.1884 -2.1801 -2.1799 -1.6614 -1.6614 -1.4616 -1.4615 1.8053 1.8055 1.9024 1.9034 k = 0.1500 0.8128-0.0042 ( 13224 PWs) bands (ev): -23.1755 -23.1755 -23.1279 -23.1279 -20.5545 -20.5545 -20.4440 -20.4440 -17.8567 -17.8567 -17.8482 -17.8482 -17.1696 -17.1696 -17.1587 -17.1587 -12.6382 -12.6382 -12.1851 -12.1851 -9.5638 -9.5638 -8.6949 -8.6949 -7.4222 -7.4207 -7.3161 -7.3092 -7.2409 -7.2338 -7.0721 -7.0703 -5.7939 -5.7934 -5.5246 -5.5243 -4.9303 -4.9300 -4.7330 -4.7325 -4.7012 -4.7008 -4.4527 -4.4522 -3.4628 -3.4625 -3.3534 -3.3530 -2.8705 -2.8699 -2.8551 -2.8550 -2.6845 -2.6841 -2.6427 -2.6425 -2.4668 -2.4666 -2.4012 -2.4008 -2.3163 -2.3158 -2.2785 -2.2781 -2.1851 -2.1845 -2.1722 -2.1720 -1.6661 -1.6661 -1.4570 -1.4569 1.8023 1.8025 1.9034 1.9042 k = 0.1250 0.8128-0.0042 ( 13228 PWs) bands (ev): -23.1763 -23.1763 -23.1270 -23.1270 -20.5565 -20.5565 -20.4420 -20.4419 -17.8569 -17.8568 -17.8481 -17.8481 -17.1698 -17.1698 -17.1585 -17.1585 -12.6451 -12.6451 -12.1747 -12.1747 -9.5806 -9.5806 -8.6785 -8.6785 -7.4251 -7.4240 -7.3185 -7.3131 -7.2379 -7.2323 -7.0676 -7.0662 -5.7987 -5.7982 -5.5188 -5.5185 -4.9341 -4.9338 -4.7310 -4.7306 -4.7081 -4.7078 -4.4522 -4.4518 -3.4618 -3.4616 -3.3497 -3.3494 -2.8718 -2.8712 -2.8553 -2.8552 -2.6854 -2.6850 -2.6431 -2.6430 -2.4690 -2.4689 -2.4041 -2.4038 -2.3172 -2.3168 -2.2774 -2.2770 -2.1817 -2.1812 -2.1652 -2.1650 -1.6701 -1.6701 -1.4530 -1.4529 1.7998 1.7999 1.9041 1.9049 k = 0.1000 0.8128-0.0042 ( 13218 PWs) bands (ev): -23.1770 -23.1770 -23.1262 -23.1262 -20.5582 -20.5582 -20.4403 -20.4402 -17.8570 -17.8570 -17.8480 -17.8480 -17.1700 -17.1700 -17.1583 -17.1583 -12.6509 -12.6508 -12.1661 -12.1660 -9.5945 -9.5945 -8.6649 -8.6649 -7.4276 -7.4267 -7.3205 -7.3163 -7.2353 -7.2310 -7.0639 -7.0627 -5.8026 -5.8023 -5.5139 -5.5137 -4.9372 -4.9370 -4.7306 -4.7303 -4.7127 -4.7125 -4.4519 -4.4515 -3.4609 -3.4607 -3.3466 -3.3464 -2.8728 -2.8724 -2.8554 -2.8553 -2.6861 -2.6858 -2.6436 -2.6435 -2.4707 -2.4706 -2.4065 -2.4063 -2.3179 -2.3176 -2.2765 -2.2762 -2.1789 -2.1785 -2.1593 -2.1591 -1.6735 -1.6735 -1.4497 -1.4496 1.7977 1.7978 1.9047 1.9053 k = 0.0750 0.8128-0.0042 ( 13216 PWs) bands (ev): -23.1776 -23.1776 -23.1256 -23.1256 -20.5595 -20.5595 -20.4389 -20.4389 -17.8571 -17.8571 -17.8479 -17.8479 -17.1701 -17.1701 -17.1582 -17.1582 -12.6553 -12.6553 -12.1592 -12.1592 -9.6055 -9.6055 -8.6543 -8.6542 -7.4295 -7.4288 -7.3220 -7.3190 -7.2332 -7.2300 -7.0610 -7.0601 -5.8057 -5.8054 -5.5100 -5.5099 -4.9396 -4.9395 -4.7317 -4.7316 -4.7149 -4.7149 -4.4517 -4.4514 -3.4600 -3.4599 -3.3442 -3.3440 -2.8737 -2.8733 -2.8555 -2.8554 -2.6866 -2.6864 -2.6440 -2.6440 -2.4719 -2.4718 -2.4084 -2.4082 -2.3185 -2.3183 -2.2757 -2.2755 -2.1767 -2.1764 -2.1546 -2.1545 -1.6762 -1.6761 -1.4471 -1.4470 1.7960 1.7961 1.9051 1.9056 k = 0.0500 0.8128-0.0042 ( 13208 PWs) bands (ev): -23.1780 -23.1780 -23.1252 -23.1252 -20.5604 -20.5604 -20.4380 -20.4380 -17.8572 -17.8572 -17.8479 -17.8479 -17.1702 -17.1702 -17.1581 -17.1581 -12.6585 -12.6585 -12.1542 -12.1542 -9.6134 -9.6134 -8.6466 -8.6465 -7.4308 -7.4303 -7.3230 -7.3211 -7.2315 -7.2294 -7.0588 -7.0582 -5.8079 -5.8077 -5.5072 -5.5071 -4.9414 -4.9413 -4.7335 -4.7335 -4.7156 -4.7156 -4.4516 -4.4514 -3.4594 -3.4593 -3.3425 -3.3423 -2.8743 -2.8741 -2.8555 -2.8555 -2.6870 -2.6868 -2.6444 -2.6443 -2.4727 -2.4726 -2.4098 -2.4097 -2.3189 -2.3188 -2.2752 -2.2750 -2.1751 -2.1749 -2.1512 -2.1511 -1.6781 -1.6781 -1.4452 -1.4451 1.7948 1.7948 1.9055 1.9058 k = 0.0250 0.8128-0.0042 ( 13206 PWs) bands (ev): -23.1782 -23.1782 -23.1250 -23.1250 -20.5610 -20.5610 -20.4374 -20.4374 -17.8573 -17.8573 -17.8478 -17.8478 -17.1703 -17.1703 -17.1581 -17.1581 -12.6605 -12.6605 -12.1512 -12.1512 -9.6182 -9.6182 -8.6419 -8.6419 -7.4316 -7.4313 -7.3235 -7.3225 -7.2302 -7.2292 -7.0574 -7.0571 -5.8093 -5.8092 -5.5055 -5.5055 -4.9424 -4.9423 -4.7349 -4.7349 -4.7157 -4.7157 -4.4515 -4.4514 -3.4590 -3.4589 -3.3414 -3.3413 -2.8746 -2.8745 -2.8556 -2.8556 -2.6872 -2.6871 -2.6446 -2.6446 -2.4731 -2.4731 -2.4106 -2.4105 -2.3191 -2.3191 -2.2749 -2.2748 -2.1741 -2.1740 -2.1491 -2.1491 -1.6792 -1.6792 -1.4440 -1.4440 1.7941 1.7941 1.9057 1.9058 k = 0.0000 0.8128-0.0042 ( 13218 PWs) bands (ev): -23.1783 -23.1783 -23.1249 -23.1249 -20.5612 -20.5612 -20.4372 -20.4372 -17.8573 -17.8573 -17.8478 -17.8478 -17.1703 -17.1703 -17.1580 -17.1580 -12.6611 -12.6611 -12.1502 -12.1502 -9.6198 -9.6198 -8.6404 -8.6404 -7.4317 -7.4317 -7.3233 -7.3233 -7.2295 -7.2295 -7.0569 -7.0569 -5.8097 -5.8097 -5.5049 -5.5049 -4.9427 -4.9427 -4.7355 -4.7355 -4.7157 -4.7157 -4.4515 -4.4515 -3.4588 -3.4588 -3.3410 -3.3410 -2.8747 -2.8747 -2.8556 -2.8556 -2.6872 -2.6872 -2.6447 -2.6447 -2.4732 -2.4732 -2.4109 -2.4109 -2.3192 -2.3192 -2.2747 -2.2747 -2.1738 -2.1738 -2.1484 -2.1484 -1.6796 -1.6796 -1.4437 -1.4437 1.7938 1.7938 1.9058 1.9058 k = 0.0000 0.8128-0.0042 ( 13218 PWs) bands (ev): -23.1783 -23.1783 -23.1249 -23.1249 -20.5612 -20.5612 -20.4372 -20.4372 -17.8573 -17.8573 -17.8478 -17.8478 -17.1703 -17.1703 -17.1580 -17.1580 -12.6611 -12.6611 -12.1502 -12.1502 -9.6198 -9.6198 -8.6404 -8.6404 -7.4317 -7.4317 -7.3233 -7.3233 -7.2295 -7.2295 -7.0569 -7.0569 -5.8097 -5.8097 -5.5049 -5.5049 -4.9427 -4.9427 -4.7355 -4.7355 -4.7157 -4.7157 -4.4515 -4.4515 -3.4588 -3.4588 -3.3410 -3.3410 -2.8747 -2.8747 -2.8556 -2.8556 -2.6872 -2.6872 -2.6447 -2.6447 -2.4732 -2.4732 -2.4109 -2.4109 -2.3192 -2.3192 -2.2747 -2.2747 -2.1738 -2.1738 -2.1484 -2.1484 -1.6796 -1.6796 -1.4437 -1.4437 1.7938 1.7938 1.9058 1.9058 k = 0.0000 0.8130 0.0219 ( 13216 PWs) bands (ev): -23.1783 -23.1783 -23.1249 -23.1249 -20.5612 -20.5612 -20.4372 -20.4372 -17.8573 -17.8573 -17.8478 -17.8478 -17.1703 -17.1703 -17.1580 -17.1580 -12.6611 -12.6611 -12.1502 -12.1502 -9.6197 -9.6197 -8.6404 -8.6404 -7.4318 -7.4317 -7.3231 -7.3231 -7.2295 -7.2295 -7.0570 -7.0570 -5.8100 -5.8100 -5.5050 -5.5050 -4.9426 -4.9425 -4.7359 -4.7350 -4.7161 -4.7152 -4.4515 -4.4514 -3.4583 -3.4581 -3.3434 -3.3430 -2.8746 -2.8733 -2.8557 -2.8553 -2.6860 -2.6854 -2.6448 -2.6446 -2.4741 -2.4738 -2.4109 -2.4107 -2.3187 -2.3184 -2.2753 -2.2748 -2.1738 -2.1737 -2.1481 -2.1478 -1.6795 -1.6795 -1.4436 -1.4434 1.7912 1.7914 1.9067 1.9069 k = 0.0000 0.8131 0.0479 ( 13209 PWs) bands (ev): -23.1783 -23.1783 -23.1249 -23.1249 -20.5612 -20.5612 -20.4372 -20.4372 -17.8573 -17.8573 -17.8478 -17.8478 -17.1703 -17.1703 -17.1580 -17.1580 -12.6610 -12.6610 -12.1503 -12.1503 -9.6197 -9.6197 -8.6404 -8.6404 -7.4319 -7.4318 -7.3225 -7.3225 -7.2294 -7.2294 -7.0576 -7.0575 -5.8111 -5.8110 -5.5053 -5.5053 -4.9422 -4.9420 -4.7362 -4.7345 -4.7165 -4.7146 -4.4514 -4.4514 -3.4565 -3.4561 -3.3500 -3.3493 -2.8730 -2.8705 -2.8558 -2.8549 -2.6819 -2.6807 -2.6448 -2.6445 -2.4763 -2.4758 -2.4109 -2.4106 -2.3171 -2.3165 -2.2765 -2.2756 -2.1739 -2.1736 -2.1469 -2.1462 -1.6792 -1.6792 -1.4433 -1.4428 1.7839 1.7842 1.9093 1.9097 k = 0.0000 0.8132 0.0740 ( 13206 PWs) bands (ev): -23.1783 -23.1783 -23.1249 -23.1249 -20.5612 -20.5612 -20.4372 -20.4372 -17.8573 -17.8573 -17.8478 -17.8478 -17.1703 -17.1703 -17.1580 -17.1580 -12.6608 -12.6608 -12.1505 -12.1505 -9.6195 -9.6195 -8.6403 -8.6403 -7.4320 -7.4319 -7.3215 -7.3214 -7.2294 -7.2293 -7.0584 -7.0583 -5.8128 -5.8127 -5.5058 -5.5058 -4.9415 -4.9413 -4.7364 -4.7339 -4.7168 -4.7140 -4.4513 -4.4513 -3.4535 -3.4529 -3.3604 -3.3593 -2.8706 -2.8668 -2.8557 -2.8542 -2.6749 -2.6731 -2.6447 -2.6443 -2.4796 -2.4788 -2.4108 -2.4104 -2.3146 -2.3138 -2.2781 -2.2769 -2.1740 -2.1736 -2.1450 -2.1441 -1.6787 -1.6787 -1.4426 -1.4420 1.7725 1.7729 1.9132 1.9137 k = 0.0000 0.8134 0.1000 ( 13197 PWs) bands (ev): -23.1783 -23.1783 -23.1249 -23.1249 -20.5612 -20.5612 -20.4372 -20.4372 -17.8573 -17.8573 -17.8478 -17.8478 -17.1703 -17.1703 -17.1581 -17.1581 -12.6605 -12.6605 -12.1507 -12.1507 -9.6194 -9.6194 -8.6403 -8.6403 -7.4321 -7.4320 -7.3201 -7.3200 -7.2292 -7.2291 -7.0595 -7.0594 -5.8151 -5.8150 -5.5065 -5.5064 -4.9405 -4.9402 -4.7365 -4.7332 -4.7170 -4.7134 -4.4512 -4.4512 -3.4495 -3.4487 -3.3739 -3.3725 -2.8678 -2.8631 -2.8552 -2.8532 -2.6651 -2.6626 -2.6445 -2.6442 -2.4836 -2.4827 -2.4107 -2.4101 -2.3116 -2.3106 -2.2801 -2.2786 -2.1741 -2.1736 -2.1426 -2.1415 -1.6779 -1.6779 -1.4416 -1.4408 1.7580 1.7584 1.9177 1.9183 k = 0.0000 0.8135 0.1261 ( 13206 PWs) bands (ev): -23.1783 -23.1783 -23.1249 -23.1249 -20.5612 -20.5612 -20.4372 -20.4372 -17.8573 -17.8573 -17.8478 -17.8478 -17.1703 -17.1703 -17.1581 -17.1581 -12.6602 -12.6602 -12.1510 -12.1510 -9.6192 -9.6192 -8.6403 -8.6403 -7.4323 -7.4322 -7.3184 -7.3183 -7.2291 -7.2290 -7.0609 -7.0609 -5.8180 -5.8179 -5.5073 -5.5072 -4.9393 -4.9390 -4.7365 -4.7326 -4.7171 -4.7128 -4.4511 -4.4510 -3.4447 -3.4436 -3.3896 -3.3880 -2.8654 -2.8603 -2.8539 -2.8519 -2.6537 -2.6497 -2.6439 -2.6431 -2.4879 -2.4869 -2.4105 -2.4098 -2.3085 -2.3073 -2.2822 -2.2805 -2.1742 -2.1736 -2.1401 -2.1390 -1.6768 -1.6767 -1.4402 -1.4393 1.7409 1.7413 1.9224 1.9231 k = 0.0000 0.8136 0.1522 ( 13201 PWs) bands (ev): -23.1783 -23.1783 -23.1249 -23.1249 -20.5612 -20.5612 -20.4372 -20.4372 -17.8573 -17.8573 -17.8478 -17.8478 -17.1703 -17.1703 -17.1581 -17.1581 -12.6599 -12.6599 -12.1513 -12.1513 -9.6189 -9.6189 -8.6402 -8.6402 -7.4325 -7.4324 -7.3163 -7.3162 -7.2289 -7.2287 -7.0626 -7.0625 -5.8213 -5.8212 -5.5083 -5.5081 -4.9379 -4.9375 -4.7364 -4.7319 -4.7171 -4.7122 -4.4510 -4.4509 -3.4395 -3.4379 -3.4067 -3.4046 -2.8636 -2.8589 -2.8516 -2.8502 -2.6472 -2.6440 -2.6348 -2.6338 -2.4921 -2.4911 -2.4102 -2.4094 -2.3056 -2.3042 -2.2841 -2.2824 -2.1743 -2.1736 -2.1379 -2.1367 -1.6752 -1.6750 -1.4385 -1.4375 1.7220 1.7224 1.9271 1.9278 k = 0.0000 0.8138 0.1782 ( 13195 PWs) bands (ev): -23.1783 -23.1783 -23.1249 -23.1249 -20.5612 -20.5612 -20.4372 -20.4372 -17.8573 -17.8573 -17.8478 -17.8478 -17.1703 -17.1703 -17.1581 -17.1581 -12.6595 -12.6595 -12.1517 -12.1517 -9.6186 -9.6186 -8.6402 -8.6402 -7.4328 -7.4326 -7.3140 -7.3139 -7.2286 -7.2285 -7.0645 -7.0644 -5.8249 -5.8248 -5.5093 -5.5092 -4.9363 -4.9359 -4.7361 -4.7311 -4.7170 -4.7116 -4.4509 -4.4507 -3.4367 -3.4339 -3.4224 -3.4193 -2.8623 -2.8585 -2.8492 -2.8484 -2.6461 -2.6437 -2.6186 -2.6171 -2.4958 -2.4950 -2.4099 -2.4091 -2.3032 -2.3017 -2.2858 -2.2840 -2.1744 -2.1736 -2.1364 -2.1352 -1.6732 -1.6729 -1.4364 -1.4353 1.7019 1.7022 1.9316 1.9322 k = 0.0000 0.8139 0.2043 ( 13185 PWs) bands (ev): -23.1783 -23.1783 -23.1249 -23.1249 -20.5612 -20.5612 -20.4372 -20.4372 -17.8573 -17.8573 -17.8478 -17.8478 -17.1703 -17.1703 -17.1581 -17.1581 -12.6591 -12.6591 -12.1521 -12.1521 -9.6184 -9.6184 -8.6401 -8.6401 -7.4330 -7.4328 -7.3115 -7.3114 -7.2283 -7.2282 -7.0666 -7.0665 -5.8288 -5.8287 -5.5104 -5.5103 -4.9346 -4.9342 -4.7357 -4.7304 -4.7169 -4.7111 -4.4507 -4.4506 -3.4470 -3.4458 -3.4220 -3.4209 -2.8616 -2.8583 -2.8474 -2.8468 -2.6457 -2.6435 -2.6007 -2.5990 -2.4988 -2.4982 -2.4096 -2.4088 -2.3015 -2.2999 -2.2870 -2.2853 -2.1744 -2.1736 -2.1358 -2.1346 -1.6707 -1.6703 -1.4340 -1.4328 1.6810 1.6813 1.9358 1.9364 k = 0.0000 0.8141 0.2303 ( 13184 PWs) bands (ev): -23.1783 -23.1783 -23.1249 -23.1249 -20.5612 -20.5612 -20.4372 -20.4372 -17.8573 -17.8573 -17.8478 -17.8478 -17.1703 -17.1703 -17.1581 -17.1581 -12.6587 -12.6587 -12.1525 -12.1525 -9.6181 -9.6181 -8.6400 -8.6400 -7.4332 -7.4331 -7.3089 -7.3088 -7.2281 -7.2279 -7.0688 -7.0687 -5.8327 -5.8327 -5.5116 -5.5114 -4.9328 -4.9324 -4.7351 -4.7297 -4.7166 -4.7106 -4.4506 -4.4504 -3.4643 -3.4634 -3.4156 -3.4150 -2.8610 -2.8583 -2.8462 -2.8455 -2.6454 -2.6434 -2.5822 -2.5805 -2.5008 -2.5005 -2.4093 -2.4084 -2.3004 -2.2990 -2.2877 -2.2861 -2.1744 -2.1737 -2.1365 -2.1352 -1.6678 -1.6672 -1.4313 -1.4302 1.6600 1.6602 1.9397 1.9403 k = 0.0000 0.8142 0.2564 ( 13188 PWs) bands (ev): -23.1782 -23.1782 -23.1249 -23.1249 -20.5612 -20.5612 -20.4372 -20.4372 -17.8573 -17.8573 -17.8478 -17.8478 -17.1703 -17.1703 -17.1582 -17.1582 -12.6583 -12.6583 -12.1529 -12.1529 -9.6178 -9.6178 -8.6400 -8.6400 -7.4335 -7.4333 -7.3063 -7.3062 -7.2277 -7.2276 -7.0711 -7.0709 -5.8367 -5.8366 -5.5128 -5.5126 -4.9310 -4.9306 -4.7345 -4.7290 -4.7162 -4.7102 -4.4505 -4.4503 -3.4817 -3.4808 -3.4088 -3.4081 -2.8607 -2.8584 -2.8455 -2.8447 -2.6452 -2.6432 -2.5641 -2.5624 -2.5017 -2.5011 -2.4090 -2.4081 -2.3001 -2.2988 -2.2879 -2.2863 -2.1745 -2.1738 -2.1385 -2.1371 -1.6644 -1.6637 -1.4284 -1.4273 1.6394 1.6395 1.9432 1.9438 k = 0.0000 0.8143 0.2825 ( 13197 PWs) bands (ev): -23.1782 -23.1782 -23.1249 -23.1249 -20.5612 -20.5612 -20.4372 -20.4372 -17.8573 -17.8573 -17.8478 -17.8478 -17.1703 -17.1703 -17.1582 -17.1582 -12.6579 -12.6579 -12.1533 -12.1533 -9.6175 -9.6175 -8.6399 -8.6399 -7.4337 -7.4335 -7.3037 -7.3036 -7.2274 -7.2272 -7.0733 -7.0732 -5.8406 -5.8405 -5.5139 -5.5138 -4.9293 -4.9289 -4.7337 -4.7285 -4.7157 -4.7099 -4.4504 -4.4502 -3.4982 -3.4973 -3.4020 -3.4014 -2.8604 -2.8585 -2.8452 -2.8444 -2.6449 -2.6431 -2.5479 -2.5457 -2.5011 -2.4992 -2.4087 -2.4079 -2.3004 -2.2994 -2.2872 -2.2857 -2.1745 -2.1738 -2.1420 -2.1404 -1.6608 -1.6600 -1.4254 -1.4244 1.6196 1.6198 1.9464 1.9469 k = 0.0000 0.8145 0.3085 ( 13190 PWs) bands (ev): -23.1782 -23.1782 -23.1249 -23.1249 -20.5612 -20.5612 -20.4372 -20.4372 -17.8573 -17.8573 -17.8478 -17.8478 -17.1703 -17.1703 -17.1582 -17.1582 -12.6575 -12.6575 -12.1536 -12.1536 -9.6172 -9.6172 -8.6399 -8.6399 -7.4339 -7.4338 -7.3012 -7.3011 -7.2271 -7.2269 -7.0755 -7.0754 -5.8442 -5.8441 -5.5150 -5.5148 -4.9276 -4.9273 -4.7329 -4.7280 -4.7150 -4.7097 -4.4503 -4.4502 -3.5133 -3.5125 -3.3956 -3.3950 -2.8602 -2.8586 -2.8451 -2.8444 -2.6446 -2.6430 -2.5351 -2.5319 -2.4976 -2.4943 -2.4084 -2.4077 -2.3015 -2.3007 -2.2856 -2.2842 -2.1745 -2.1739 -2.1467 -2.1451 -1.6570 -1.6562 -1.4225 -1.4215 1.6012 1.6014 1.9492 1.9496 k = 0.0000 0.8146 0.3346 ( 13186 PWs) bands (ev): -23.1782 -23.1782 -23.1249 -23.1249 -20.5612 -20.5612 -20.4372 -20.4372 -17.8573 -17.8573 -17.8478 -17.8478 -17.1704 -17.1704 -17.1582 -17.1582 -12.6571 -12.6571 -12.1540 -12.1540 -9.6169 -9.6169 -8.6398 -8.6398 -7.4341 -7.4339 -7.2988 -7.2988 -7.2267 -7.2266 -7.0776 -7.0774 -5.8475 -5.8474 -5.5159 -5.5158 -4.9261 -4.9258 -4.7320 -4.7277 -4.7143 -4.7096 -4.4503 -4.4501 -3.5266 -3.5259 -3.3899 -3.3893 -2.8601 -2.8587 -2.8453 -2.8447 -2.6443 -2.6429 -2.5266 -2.5227 -2.4903 -2.4862 -2.4082 -2.4075 -2.3032 -2.3026 -2.2829 -2.2817 -2.1745 -2.1740 -2.1525 -2.1509 -1.6534 -1.6526 -1.4196 -1.4188 1.5848 1.5849 1.9516 1.9520 k = 0.0000 0.8147 0.3607 ( 13174 PWs) bands (ev): -23.1782 -23.1782 -23.1249 -23.1249 -20.5612 -20.5612 -20.4372 -20.4372 -17.8573 -17.8573 -17.8478 -17.8478 -17.1704 -17.1704 -17.1582 -17.1582 -12.6568 -12.6568 -12.1543 -12.1543 -9.6167 -9.6167 -8.6398 -8.6398 -7.4342 -7.4341 -7.2968 -7.2967 -7.2264 -7.2263 -7.0794 -7.0793 -5.8503 -5.8502 -5.5168 -5.5167 -4.9247 -4.9245 -4.7311 -4.7276 -4.7135 -4.7097 -4.4502 -4.4501 -3.5379 -3.5373 -3.3849 -3.3844 -2.8599 -2.8588 -2.8455 -2.8450 -2.6441 -2.6429 -2.5213 -2.5178 -2.4803 -2.4764 -2.4080 -2.4074 -2.3053 -2.3047 -2.2792 -2.2783 -2.1745 -2.1741 -2.1590 -2.1575 -1.6500 -1.6493 -1.4171 -1.4164 1.5706 1.5706 1.9536 1.9539 k = 0.0000 0.8149 0.3867 ( 13183 PWs) bands (ev): -23.1782 -23.1782 -23.1249 -23.1249 -20.5612 -20.5612 -20.4372 -20.4372 -17.8573 -17.8573 -17.8478 -17.8478 -17.1704 -17.1704 -17.1582 -17.1582 -12.6565 -12.6565 -12.1545 -12.1545 -9.6166 -9.6166 -8.6397 -8.6397 -7.4343 -7.4343 -7.2951 -7.2951 -7.2262 -7.2261 -7.0809 -7.0808 -5.8526 -5.8526 -5.5175 -5.5174 -4.9236 -4.9235 -4.7302 -4.7276 -4.7127 -4.7099 -4.4502 -4.4501 -3.5470 -3.5466 -3.3809 -3.3805 -2.8597 -2.8590 -2.8458 -2.8455 -2.6438 -2.6430 -2.5179 -2.5151 -2.4702 -2.4670 -2.4079 -2.4074 -2.3074 -2.3069 -2.2748 -2.2742 -2.1746 -2.1742 -2.1656 -2.1642 -1.6472 -1.6466 -1.4151 -1.4145 1.5590 1.5591 1.9552 1.9554 k = 0.0000 0.8150 0.4128 ( 13191 PWs) bands (ev): -23.1782 -23.1782 -23.1249 -23.1249 -20.5612 -20.5612 -20.4372 -20.4372 -17.8573 -17.8573 -17.8478 -17.8478 -17.1704 -17.1704 -17.1582 -17.1582 -12.6564 -12.6564 -12.1547 -12.1547 -9.6164 -9.6164 -8.6397 -8.6397 -7.4344 -7.4344 -7.2938 -7.2938 -7.2260 -7.2259 -7.0821 -7.0820 -5.8544 -5.8543 -5.5180 -5.5179 -4.9228 -4.9227 -4.7293 -4.7278 -4.7119 -4.7102 -4.4501 -4.4501 -3.5538 -3.5535 -3.3779 -3.3776 -2.8596 -2.8591 -2.8461 -2.8459 -2.6436 -2.6430 -2.5153 -2.5134 -2.4618 -2.4596 -2.4078 -2.4074 -2.3093 -2.3089 -2.2704 -2.2701 -2.1749 -2.1743 -2.1712 -2.1704 -1.6451 -1.6447 -1.4136 -1.4132 1.5505 1.5505 1.9563 1.9564 k = 0.0000 0.8151 0.4388 ( 13199 PWs) bands (ev): -23.1782 -23.1782 -23.1249 -23.1249 -20.5612 -20.5612 -20.4372 -20.4372 -17.8573 -17.8573 -17.8478 -17.8478 -17.1704 -17.1704 -17.1583 -17.1583 -12.6562 -12.6562 -12.1548 -12.1548 -9.6163 -9.6163 -8.6397 -8.6397 -7.4345 -7.4344 -7.2930 -7.2930 -7.2258 -7.2258 -7.0828 -7.0828 -5.8555 -5.8554 -5.5183 -5.5183 -4.9222 -4.9222 -4.7285 -4.7282 -4.7111 -4.7106 -4.4501 -4.4501 -3.5581 -3.5579 -3.3761 -3.3760 -2.8595 -2.8593 -2.8463 -2.8461 -2.6433 -2.6431 -2.5134 -2.5124 -2.4560 -2.4548 -2.4077 -2.4074 -2.3106 -2.3104 -2.2669 -2.2667 -2.1765 -2.1756 -2.1738 -2.1737 -1.6439 -1.6436 -1.4127 -1.4125 1.5451 1.5452 1.9569 1.9570 k = 0.0000 0.8153 0.4649 ( 13208 PWs) bands (ev): -23.1782 -23.1782 -23.1249 -23.1249 -20.5612 -20.5612 -20.4372 -20.4372 -17.8573 -17.8573 -17.8478 -17.8478 -17.1704 -17.1704 -17.1583 -17.1583 -12.6562 -12.6562 -12.1548 -12.1548 -9.6163 -9.6163 -8.6397 -8.6397 -7.4345 -7.4345 -7.2927 -7.2926 -7.2257 -7.2257 -7.0831 -7.0831 -5.8559 -5.8559 -5.5185 -5.5184 -4.9220 -4.9219 -4.7287 -4.7278 -4.7112 -4.7104 -4.4501 -4.4501 -3.5598 -3.5598 -3.3756 -3.3755 -2.8595 -2.8594 -2.8464 -2.8461 -2.6433 -2.6431 -2.5122 -2.5119 -2.4532 -2.4530 -2.4076 -2.4075 -2.3111 -2.3111 -2.2652 -2.2652 -2.1775 -2.1774 -2.1740 -2.1739 -1.6436 -1.6436 -1.4126 -1.4126 1.5431 1.5431 1.9571 1.9572 k = 0.5000 0.8104 0.4733 ( 13212 PWs) bands (ev): -23.1520 -23.1520 -23.1520 -23.1520 -20.4994 -20.4994 -20.4994 -20.4994 -17.8520 -17.8520 -17.8520 -17.8520 -17.1643 -17.1643 -17.1643 -17.1643 -12.4327 -12.4327 -12.4327 -12.4327 -9.1261 -9.1261 -9.1260 -9.1260 -7.3428 -7.3428 -7.3355 -7.3355 -7.1824 -7.1824 -7.1745 -7.1745 -5.6970 -5.6970 -5.6962 -5.6962 -4.8290 -4.8290 -4.8284 -4.8284 -4.5264 -4.5264 -4.5257 -4.5257 -3.4459 -3.4459 -3.4455 -3.4455 -2.8649 -2.8649 -2.8640 -2.8640 -2.5857 -2.5857 -2.5856 -2.5856 -2.3792 -2.3792 -2.3777 -2.3777 -2.3132 -2.3132 -2.3130 -2.3130 -2.2638 -2.2638 -2.2624 -2.2624 -1.5133 -1.5133 -1.5130 -1.5130 1.7175 1.7175 1.7185 1.7185 k = 0.5000 0.7843 0.4733 ( 13206 PWs) bands (ev): -23.1520 -23.1520 -23.1520 -23.1520 -20.4996 -20.4996 -20.4995 -20.4995 -17.8515 -17.8515 -17.8515 -17.8515 -17.1643 -17.1643 -17.1643 -17.1643 -12.4329 -12.4329 -12.4328 -12.4328 -9.1266 -9.1266 -9.1265 -9.1265 -7.3430 -7.3430 -7.3357 -7.3357 -7.1825 -7.1825 -7.1745 -7.1745 -5.6968 -5.6968 -5.6957 -5.6957 -4.8308 -4.8308 -4.8292 -4.8292 -4.5260 -4.5260 -4.5250 -4.5250 -3.4462 -3.4462 -3.4458 -3.4458 -2.8651 -2.8651 -2.8626 -2.8626 -2.5855 -2.5855 -2.5835 -2.5835 -2.3791 -2.3791 -2.3775 -2.3775 -2.3132 -2.3132 -2.3126 -2.3126 -2.2637 -2.2637 -2.2623 -2.2623 -1.5128 -1.5128 -1.5125 -1.5125 1.7170 1.7170 1.7179 1.7179 k = 0.5000 0.7581 0.4733 ( 13204 PWs) bands (ev): -23.1521 -23.1521 -23.1520 -23.1520 -20.5001 -20.5001 -20.5000 -20.5000 -17.8504 -17.8504 -17.8504 -17.8504 -17.1643 -17.1643 -17.1643 -17.1643 -12.4334 -12.4334 -12.4333 -12.4333 -9.1281 -9.1281 -9.1280 -9.1280 -7.3435 -7.3435 -7.3362 -7.3362 -7.1827 -7.1827 -7.1747 -7.1747 -5.6961 -5.6961 -5.6947 -5.6947 -4.8349 -4.8349 -4.8319 -4.8319 -4.5248 -4.5248 -4.5232 -4.5232 -3.4476 -3.4476 -3.4470 -3.4470 -2.8645 -2.8645 -2.8599 -2.8599 -2.5828 -2.5828 -2.5789 -2.5789 -2.3776 -2.3776 -2.3759 -2.3759 -2.3129 -2.3129 -2.3119 -2.3119 -2.2634 -2.2634 -2.2619 -2.2619 -1.5128 -1.5128 -1.5124 -1.5124 1.7159 1.7159 1.7169 1.7169 k = 0.5000 0.7320 0.4733 ( 13202 PWs) bands (ev): -23.1521 -23.1521 -23.1521 -23.1521 -20.5008 -20.5008 -20.5007 -20.5007 -17.8485 -17.8485 -17.8485 -17.8485 -17.1644 -17.1644 -17.1644 -17.1644 -12.4341 -12.4341 -12.4341 -12.4341 -9.1305 -9.1305 -9.1304 -9.1304 -7.3443 -7.3443 -7.3369 -7.3369 -7.1830 -7.1830 -7.1749 -7.1749 -5.6949 -5.6949 -5.6931 -5.6931 -4.8408 -4.8408 -4.8366 -4.8366 -4.5228 -4.5228 -4.5206 -4.5206 -3.4501 -3.4501 -3.4495 -3.4495 -2.8627 -2.8627 -2.8561 -2.8561 -2.5777 -2.5777 -2.5721 -2.5721 -2.3748 -2.3748 -2.3728 -2.3728 -2.3123 -2.3123 -2.3108 -2.3108 -2.2630 -2.2630 -2.2614 -2.2614 -1.5132 -1.5132 -1.5128 -1.5128 1.7144 1.7144 1.7154 1.7154 k = 0.5000 0.7058 0.4733 ( 13202 PWs) bands (ev): -23.1521 -23.1521 -23.1521 -23.1521 -20.5018 -20.5018 -20.5018 -20.5018 -17.8459 -17.8459 -17.8459 -17.8459 -17.1644 -17.1644 -17.1644 -17.1644 -12.4352 -12.4352 -12.4351 -12.4351 -9.1338 -9.1338 -9.1337 -9.1337 -7.3454 -7.3454 -7.3380 -7.3380 -7.1834 -7.1834 -7.1753 -7.1753 -5.6933 -5.6933 -5.6911 -5.6911 -4.8483 -4.8483 -4.8429 -4.8429 -4.5200 -4.5200 -4.5173 -4.5173 -3.4540 -3.4540 -3.4532 -3.4532 -2.8596 -2.8596 -2.8511 -2.8511 -2.5705 -2.5705 -2.5632 -2.5632 -2.3707 -2.3707 -2.3684 -2.3684 -2.3113 -2.3113 -2.3093 -2.3093 -2.2623 -2.2623 -2.2606 -2.2606 -1.5141 -1.5141 -1.5136 -1.5136 1.7125 1.7125 1.7135 1.7135 k = 0.5000 0.6797 0.4733 ( 13204 PWs) bands (ev): -23.1522 -23.1522 -23.1522 -23.1522 -20.5031 -20.5031 -20.5030 -20.5030 -17.8426 -17.8426 -17.8426 -17.8426 -17.1644 -17.1644 -17.1644 -17.1644 -12.4365 -12.4365 -12.4364 -12.4364 -9.1379 -9.1379 -9.1378 -9.1378 -7.3468 -7.3468 -7.3393 -7.3393 -7.1839 -7.1839 -7.1758 -7.1758 -5.6914 -5.6914 -5.6888 -5.6888 -4.8570 -4.8570 -4.8506 -4.8506 -4.5166 -4.5166 -4.5134 -4.5134 -3.4594 -3.4594 -3.4585 -3.4585 -2.8550 -2.8550 -2.8447 -2.8447 -2.5612 -2.5612 -2.5525 -2.5525 -2.3653 -2.3653 -2.3627 -2.3627 -2.3100 -2.3100 -2.3074 -2.3074 -2.2615 -2.2615 -2.2596 -2.2596 -1.5154 -1.5154 -1.5149 -1.5149 1.7103 1.7103 1.7114 1.7114 k = 0.5000 0.6536 0.4733 ( 13200 PWs) bands (ev): -23.1523 -23.1523 -23.1523 -23.1523 -20.5046 -20.5046 -20.5046 -20.5046 -17.8387 -17.8387 -17.8387 -17.8387 -17.1645 -17.1645 -17.1645 -17.1645 -12.4381 -12.4381 -12.4380 -12.4380 -9.1429 -9.1429 -9.1427 -9.1427 -7.3483 -7.3483 -7.3408 -7.3408 -7.1846 -7.1846 -7.1763 -7.1763 -5.6892 -5.6892 -5.6862 -5.6862 -4.8666 -4.8666 -4.8593 -4.8593 -4.5126 -4.5126 -4.5090 -4.5090 -3.4664 -3.4664 -3.4655 -3.4655 -2.8486 -2.8486 -2.8368 -2.8368 -2.5500 -2.5500 -2.5401 -2.5401 -2.3590 -2.3590 -2.3559 -2.3559 -2.3082 -2.3082 -2.3049 -2.3049 -2.2605 -2.2605 -2.2584 -2.2584 -1.5172 -1.5172 -1.5167 -1.5167 1.7079 1.7079 1.7091 1.7091 k = 0.5000 0.6274 0.4733 ( 13206 PWs) bands (ev): -23.1524 -23.1524 -23.1524 -23.1524 -20.5064 -20.5064 -20.5063 -20.5063 -17.8342 -17.8342 -17.8342 -17.8342 -17.1645 -17.1645 -17.1645 -17.1645 -12.4399 -12.4399 -12.4398 -12.4398 -9.1486 -9.1486 -9.1484 -9.1484 -7.3501 -7.3501 -7.3425 -7.3425 -7.1853 -7.1853 -7.1770 -7.1770 -5.6869 -5.6869 -5.6835 -5.6835 -4.8768 -4.8768 -4.8685 -4.8685 -4.5083 -4.5083 -4.5043 -4.5043 -3.4753 -3.4753 -3.4742 -3.4742 -2.8405 -2.8405 -2.8272 -2.8272 -2.5373 -2.5373 -2.5262 -2.5262 -2.3518 -2.3518 -2.3484 -2.3484 -2.3058 -2.3058 -2.3019 -2.3019 -2.2592 -2.2592 -2.2569 -2.2569 -1.5195 -1.5195 -1.5189 -1.5189 1.7055 1.7055 1.7067 1.7067 k = 0.5000 0.6013 0.4733 ( 13216 PWs) bands (ev): -23.1525 -23.1525 -23.1525 -23.1525 -20.5084 -20.5084 -20.5083 -20.5083 -17.8292 -17.8292 -17.8292 -17.8292 -17.1646 -17.1646 -17.1646 -17.1646 -12.4419 -12.4419 -12.4418 -12.4418 -9.1550 -9.1550 -9.1548 -9.1548 -7.3520 -7.3520 -7.3444 -7.3444 -7.1861 -7.1861 -7.1778 -7.1778 -5.6847 -5.6847 -5.6809 -5.6809 -4.8870 -4.8870 -4.8781 -4.8781 -4.5035 -4.5035 -4.4992 -4.4992 -3.4860 -3.4860 -3.4848 -3.4848 -2.8306 -2.8306 -2.8160 -2.8160 -2.5231 -2.5231 -2.5112 -2.5112 -2.3442 -2.3442 -2.3404 -2.3404 -2.3025 -2.3025 -2.2979 -2.2979 -2.2576 -2.2576 -2.2551 -2.2551 -1.5222 -1.5222 -1.5216 -1.5216 1.7031 1.7031 1.7044 1.7044 k = 0.5000 0.5751 0.4733 ( 13222 PWs) bands (ev): -23.1526 -23.1526 -23.1526 -23.1526 -20.5106 -20.5106 -20.5105 -20.5105 -17.8236 -17.8236 -17.8236 -17.8236 -17.1646 -17.1646 -17.1646 -17.1646 -12.4442 -12.4442 -12.4441 -12.4441 -9.1620 -9.1620 -9.1619 -9.1619 -7.3541 -7.3541 -7.3464 -7.3464 -7.1870 -7.1870 -7.1787 -7.1787 -5.6825 -5.6825 -5.6784 -5.6784 -4.8971 -4.8971 -4.8875 -4.8875 -4.4984 -4.4984 -4.4938 -4.4938 -3.4986 -3.4986 -3.4973 -3.4973 -2.8189 -2.8189 -2.8034 -2.8034 -2.5076 -2.5076 -2.4951 -2.4951 -2.3365 -2.3365 -2.3327 -2.3327 -2.2980 -2.2980 -2.2927 -2.2927 -2.2558 -2.2558 -2.2530 -2.2530 -1.5254 -1.5254 -1.5247 -1.5247 1.7008 1.7008 1.7022 1.7022 k = 0.5000 0.5490 0.4733 ( 13212 PWs) bands (ev): -23.1527 -23.1527 -23.1527 -23.1527 -20.5129 -20.5129 -20.5128 -20.5128 -17.8176 -17.8176 -17.8176 -17.8176 -17.1647 -17.1647 -17.1647 -17.1647 -12.4467 -12.4467 -12.4466 -12.4466 -9.1696 -9.1696 -9.1695 -9.1695 -7.3562 -7.3562 -7.3486 -7.3486 -7.1880 -7.1880 -7.1797 -7.1797 -5.6806 -5.6806 -5.6762 -5.6762 -4.9067 -4.9067 -4.8967 -4.8967 -4.4929 -4.4929 -4.4881 -4.4881 -3.5130 -3.5130 -3.5117 -3.5117 -2.8058 -2.8058 -2.7895 -2.7895 -2.4911 -2.4911 -2.4781 -2.4781 -2.3295 -2.3295 -2.3258 -2.3258 -2.2916 -2.2916 -2.2857 -2.2857 -2.2536 -2.2536 -2.2504 -2.2504 -1.5290 -1.5290 -1.5282 -1.5282 1.6987 1.6987 1.7001 1.7001 k = 0.5000 0.5228 0.4733 ( 13220 PWs) bands (ev): -23.1529 -23.1529 -23.1529 -23.1529 -20.5154 -20.5154 -20.5153 -20.5153 -17.8113 -17.8113 -17.8112 -17.8112 -17.1648 -17.1648 -17.1648 -17.1648 -12.4493 -12.4493 -12.4492 -12.4492 -9.1777 -9.1777 -9.1775 -9.1775 -7.3583 -7.3583 -7.3508 -7.3508 -7.1891 -7.1891 -7.1809 -7.1809 -5.6791 -5.6791 -5.6745 -5.6745 -4.9156 -4.9156 -4.9052 -4.9052 -4.4871 -4.4871 -4.4821 -4.4821 -3.5291 -3.5291 -3.5277 -3.5277 -2.7915 -2.7915 -2.7747 -2.7747 -2.4738 -2.4738 -2.4605 -2.4605 -2.3234 -2.3234 -2.3203 -2.3203 -2.2832 -2.2832 -2.2768 -2.2768 -2.2509 -2.2509 -2.2473 -2.2473 -1.5331 -1.5331 -1.5322 -1.5322 1.6969 1.6969 1.6983 1.6983 k = 0.5000 0.4967 0.4733 ( 13220 PWs) bands (ev): -23.1530 -23.1530 -23.1530 -23.1530 -20.5179 -20.5179 -20.5179 -20.5179 -17.8046 -17.8046 -17.8045 -17.8045 -17.1648 -17.1648 -17.1648 -17.1648 -12.4521 -12.4521 -12.4520 -12.4520 -9.1862 -9.1862 -9.1860 -9.1860 -7.3605 -7.3605 -7.3530 -7.3530 -7.1903 -7.1903 -7.1821 -7.1821 -5.6781 -5.6781 -5.6733 -5.6733 -4.9235 -4.9235 -4.9129 -4.9129 -4.4809 -4.4809 -4.4757 -4.4757 -3.5468 -3.5468 -3.5454 -3.5454 -2.7762 -2.7762 -2.7591 -2.7591 -2.4557 -2.4557 -2.4425 -2.4425 -2.3185 -2.3185 -2.3161 -2.3161 -2.2733 -2.2733 -2.2664 -2.2664 -2.2474 -2.2474 -2.2432 -2.2432 -1.5376 -1.5376 -1.5367 -1.5367 1.6953 1.6953 1.6968 1.6968 k = 0.5000 0.4706 0.4733 ( 13228 PWs) bands (ev): -23.1532 -23.1532 -23.1531 -23.1531 -20.5206 -20.5206 -20.5205 -20.5205 -17.7976 -17.7976 -17.7976 -17.7976 -17.1649 -17.1649 -17.1649 -17.1649 -12.4550 -12.4550 -12.4549 -12.4549 -9.1950 -9.1950 -9.1948 -9.1948 -7.3626 -7.3626 -7.3552 -7.3552 -7.1915 -7.1915 -7.1834 -7.1834 -5.6776 -5.6776 -5.6727 -5.6727 -4.9304 -4.9304 -4.9197 -4.9197 -4.4742 -4.4742 -4.4689 -4.4689 -3.5659 -3.5659 -3.5644 -3.5644 -2.7603 -2.7603 -2.7431 -2.7431 -2.4373 -2.4373 -2.4242 -2.4242 -2.3144 -2.3144 -2.3125 -2.3125 -2.2631 -2.2631 -2.2561 -2.2561 -2.2419 -2.2419 -2.2372 -2.2372 -1.5425 -1.5425 -1.5415 -1.5415 1.6941 1.6941 1.6956 1.6956 k = 0.5000 0.4444 0.4733 ( 13234 PWs) bands (ev): -23.1533 -23.1533 -23.1533 -23.1533 -20.5233 -20.5233 -20.5233 -20.5233 -17.7905 -17.7905 -17.7904 -17.7904 -17.1650 -17.1650 -17.1650 -17.1650 -12.4580 -12.4580 -12.4578 -12.4578 -9.2040 -9.2040 -9.2038 -9.2038 -7.3646 -7.3646 -7.3574 -7.3574 -7.1927 -7.1927 -7.1849 -7.1849 -5.6777 -5.6777 -5.6727 -5.6727 -4.9362 -4.9362 -4.9254 -4.9254 -4.4670 -4.4670 -4.4616 -4.4616 -3.5863 -3.5863 -3.5847 -3.5847 -2.7441 -2.7441 -2.7270 -2.7270 -2.4187 -2.4187 -2.4060 -2.4060 -2.3110 -2.3110 -2.3092 -2.3092 -2.2546 -2.2546 -2.2487 -2.2487 -2.2321 -2.2321 -2.2280 -2.2280 -1.5477 -1.5477 -1.5467 -1.5467 1.6931 1.6931 1.6947 1.6947 k = 0.5000 0.4183 0.4733 ( 13238 PWs) bands (ev): -23.1535 -23.1535 -23.1535 -23.1535 -20.5261 -20.5261 -20.5260 -20.5260 -17.7832 -17.7832 -17.7832 -17.7832 -17.1651 -17.1651 -17.1651 -17.1651 -12.4610 -12.4610 -12.4609 -12.4609 -9.2131 -9.2131 -9.2129 -9.2129 -7.3666 -7.3666 -7.3595 -7.3595 -7.1940 -7.1940 -7.1864 -7.1864 -5.6784 -5.6784 -5.6734 -5.6734 -4.9408 -4.9408 -4.9301 -4.9301 -4.4592 -4.4592 -4.4537 -4.4537 -3.6076 -3.6076 -3.6061 -3.6061 -2.7279 -2.7279 -2.7111 -2.7111 -2.4003 -2.4003 -2.3884 -2.3884 -2.3076 -2.3076 -2.3056 -2.3056 -2.2483 -2.2483 -2.2439 -2.2439 -2.2188 -2.2188 -2.2150 -2.2150 -1.5534 -1.5534 -1.5522 -1.5522 1.6924 1.6924 1.6940 1.6940 k = 0.5000 0.3921 0.4733 ( 13236 PWs) bands (ev): -23.1536 -23.1536 -23.1536 -23.1536 -20.5289 -20.5289 -20.5288 -20.5288 -17.7759 -17.7759 -17.7759 -17.7759 -17.1651 -17.1651 -17.1651 -17.1651 -12.4641 -12.4641 -12.4639 -12.4639 -9.2223 -9.2223 -9.2221 -9.2221 -7.3684 -7.3684 -7.3616 -7.3616 -7.1953 -7.1953 -7.1879 -7.1879 -5.6797 -5.6797 -5.6748 -5.6748 -4.9443 -4.9443 -4.9338 -4.9338 -4.4507 -4.4507 -4.4453 -4.4453 -3.6298 -3.6298 -3.6282 -3.6282 -2.7119 -2.7119 -2.6956 -2.6956 -2.3828 -2.3828 -2.3717 -2.3717 -2.3039 -2.3039 -2.3014 -2.3014 -2.2437 -2.2437 -2.2399 -2.2399 -2.2038 -2.2038 -2.1996 -2.1996 -1.5593 -1.5593 -1.5580 -1.5580 1.6919 1.6919 1.6936 1.6936 k = 0.5000 0.3660 0.4733 ( 13246 PWs) bands (ev): -23.1538 -23.1538 -23.1538 -23.1538 -20.5316 -20.5316 -20.5315 -20.5315 -17.7687 -17.7687 -17.7687 -17.7687 -17.1652 -17.1652 -17.1652 -17.1652 -12.4671 -12.4671 -12.4670 -12.4670 -9.2314 -9.2314 -9.2312 -9.2312 -7.3702 -7.3702 -7.3636 -7.3636 -7.1967 -7.1967 -7.1895 -7.1895 -5.6816 -5.6816 -5.6768 -5.6768 -4.9468 -4.9468 -4.9366 -4.9366 -4.4416 -4.4416 -4.4362 -4.4362 -3.6526 -3.6526 -3.6510 -3.6510 -2.6963 -2.6963 -2.6807 -2.6807 -2.3667 -2.3667 -2.3568 -2.3568 -2.2991 -2.2991 -2.2960 -2.2960 -2.2398 -2.2398 -2.2362 -2.2362 -2.1876 -2.1876 -2.1830 -2.1830 -1.5655 -1.5655 -1.5640 -1.5640 1.6917 1.6917 1.6933 1.6933 k = 0.5000 0.3398 0.4733 ( 13242 PWs) bands (ev): -23.1539 -23.1539 -23.1539 -23.1539 -20.5343 -20.5343 -20.5342 -20.5342 -17.7616 -17.7616 -17.7615 -17.7615 -17.1653 -17.1653 -17.1653 -17.1653 -12.4702 -12.4702 -12.4700 -12.4700 -9.2403 -9.2403 -9.2402 -9.2402 -7.3718 -7.3718 -7.3655 -7.3655 -7.1980 -7.1980 -7.1911 -7.1911 -5.6839 -5.6839 -5.6793 -5.6793 -4.9482 -4.9482 -4.9384 -4.9384 -4.4319 -4.4319 -4.4265 -4.4265 -3.6758 -3.6758 -3.6742 -3.6742 -2.6813 -2.6813 -2.6665 -2.6665 -2.3530 -2.3530 -2.3447 -2.3447 -2.2925 -2.2925 -2.2887 -2.2887 -2.2363 -2.2363 -2.2325 -2.2325 -2.1709 -2.1709 -2.1659 -2.1659 -1.5718 -1.5718 -1.5702 -1.5702 1.6916 1.6916 1.6933 1.6933 k = 0.5000 0.3137 0.4733 ( 13250 PWs) bands (ev): -23.1541 -23.1541 -23.1541 -23.1541 -20.5369 -20.5369 -20.5368 -20.5368 -17.7546 -17.7546 -17.7546 -17.7546 -17.1654 -17.1654 -17.1654 -17.1654 -12.4731 -12.4731 -12.4730 -12.4730 -9.2490 -9.2490 -9.2489 -9.2489 -7.3732 -7.3732 -7.3672 -7.3672 -7.1993 -7.1993 -7.1928 -7.1928 -5.6867 -5.6867 -5.6823 -5.6823 -4.9488 -4.9488 -4.9395 -4.9395 -4.4214 -4.4214 -4.4162 -4.4162 -3.6993 -3.6993 -3.6976 -3.6976 -2.6670 -2.6670 -2.6532 -2.6532 -2.3423 -2.3423 -2.3358 -2.3358 -2.2837 -2.2837 -2.2790 -2.2790 -2.2330 -2.2330 -2.2288 -2.2288 -2.1539 -2.1539 -2.1487 -2.1487 -1.5783 -1.5783 -1.5765 -1.5765 1.6917 1.6917 1.6934 1.6934 k = 0.5000 0.2876 0.4733 ( 13262 PWs) bands (ev): -23.1542 -23.1542 -23.1542 -23.1542 -20.5394 -20.5394 -20.5393 -20.5393 -17.7480 -17.7480 -17.7479 -17.7479 -17.1654 -17.1654 -17.1654 -17.1654 -12.4760 -12.4760 -12.4759 -12.4759 -9.2574 -9.2574 -9.2573 -9.2573 -7.3745 -7.3745 -7.3689 -7.3689 -7.2005 -7.2005 -7.1944 -7.1944 -5.6897 -5.6897 -5.6856 -5.6856 -4.9488 -4.9488 -4.9400 -4.9400 -4.4103 -4.4103 -4.4052 -4.4052 -3.7227 -3.7227 -3.7210 -3.7210 -2.6537 -2.6537 -2.6409 -2.6409 -2.3348 -2.3348 -2.3299 -2.3299 -2.2728 -2.2728 -2.2673 -2.2673 -2.2297 -2.2297 -2.2250 -2.2250 -2.1370 -2.1370 -2.1317 -2.1317 -1.5848 -1.5848 -1.5828 -1.5828 1.6919 1.6919 1.6936 1.6936 k = 0.5000 0.2614 0.4733 ( 13276 PWs) bands (ev): -23.1544 -23.1544 -23.1543 -23.1543 -20.5418 -20.5418 -20.5417 -20.5417 -17.7416 -17.7416 -17.7416 -17.7416 -17.1655 -17.1655 -17.1655 -17.1655 -12.4788 -12.4788 -12.4786 -12.4786 -9.2654 -9.2654 -9.2652 -9.2652 -7.3757 -7.3757 -7.3704 -7.3704 -7.2017 -7.2017 -7.1960 -7.1960 -5.6929 -5.6929 -5.6891 -5.6891 -4.9481 -4.9481 -4.9400 -4.9400 -4.3986 -4.3986 -4.3937 -4.3937 -3.7460 -3.7460 -3.7443 -3.7443 -2.6412 -2.6412 -2.6296 -2.6296 -2.3298 -2.3298 -2.3261 -2.3261 -2.2609 -2.2609 -2.2548 -2.2548 -2.2264 -2.2264 -2.2209 -2.2209 -2.1204 -2.1204 -2.1151 -2.1151 -1.5913 -1.5913 -1.5891 -1.5891 1.6921 1.6921 1.6939 1.6939 k = 0.5000 0.2353 0.4733 ( 13268 PWs) bands (ev): -23.1545 -23.1545 -23.1545 -23.1545 -20.5440 -20.5440 -20.5439 -20.5439 -17.7356 -17.7356 -17.7356 -17.7356 -17.1656 -17.1656 -17.1656 -17.1656 -12.4814 -12.4814 -12.4812 -12.4812 -9.2728 -9.2728 -9.2727 -9.2727 -7.3766 -7.3766 -7.3718 -7.3718 -7.2028 -7.2028 -7.1976 -7.1976 -5.6962 -5.6962 -5.6927 -5.6927 -4.9471 -4.9471 -4.9396 -4.9396 -4.3865 -4.3865 -4.3819 -4.3819 -3.7687 -3.7687 -3.7670 -3.7670 -2.6298 -2.6298 -2.6193 -2.6193 -2.3265 -2.3265 -2.3236 -2.3236 -2.2494 -2.2494 -2.2426 -2.2426 -2.2226 -2.2226 -2.2161 -2.2161 -2.1044 -2.1044 -2.0993 -2.0993 -1.5977 -1.5977 -1.5952 -1.5952 1.6924 1.6924 1.6942 1.6942 k = 0.5000 0.2091 0.4733 ( 13262 PWs) bands (ev): -23.1546 -23.1546 -23.1546 -23.1546 -20.5460 -20.5460 -20.5460 -20.5460 -17.7301 -17.7301 -17.7301 -17.7301 -17.1656 -17.1656 -17.1656 -17.1656 -12.4838 -12.4838 -12.4836 -12.4836 -9.2797 -9.2797 -9.2796 -9.2796 -7.3775 -7.3775 -7.3731 -7.3731 -7.2038 -7.2038 -7.1991 -7.1991 -5.6994 -5.6994 -5.6963 -5.6963 -4.9458 -4.9458 -4.9390 -4.9390 -4.3741 -4.3741 -4.3698 -4.3698 -3.7907 -3.7907 -3.7891 -3.7891 -2.6195 -2.6195 -2.6101 -2.6101 -2.3242 -2.3242 -2.3220 -2.3220 -2.2396 -2.2396 -2.2325 -2.2325 -2.2173 -2.2173 -2.2101 -2.2101 -2.0894 -2.0894 -2.0846 -2.0846 -1.6037 -1.6037 -1.6010 -1.6010 1.6927 1.6927 1.6945 1.6945 k = 0.5000 0.1830 0.4733 ( 13264 PWs) bands (ev): -23.1547 -23.1547 -23.1547 -23.1547 -20.5479 -20.5479 -20.5478 -20.5478 -17.7251 -17.7251 -17.7251 -17.7251 -17.1657 -17.1657 -17.1657 -17.1657 -12.4859 -12.4859 -12.4858 -12.4858 -9.2860 -9.2860 -9.2858 -9.2858 -7.3782 -7.3782 -7.3742 -7.3742 -7.2047 -7.2047 -7.2005 -7.2005 -5.7026 -5.7026 -5.6998 -5.6998 -4.9443 -4.9443 -4.9383 -4.9383 -4.3617 -4.3617 -4.3577 -4.3577 -3.8117 -3.8117 -3.8101 -3.8101 -2.6102 -2.6102 -2.6020 -2.6020 -2.3227 -2.3227 -2.3209 -2.3209 -2.2321 -2.2321 -2.2261 -2.2261 -2.2092 -2.2092 -2.2029 -2.2029 -2.0755 -2.0755 -2.0710 -2.0710 -1.6095 -1.6095 -1.6065 -1.6065 1.6930 1.6930 1.6948 1.6948 k = 0.5000 0.1569 0.4733 ( 13264 PWs) bands (ev): -23.1548 -23.1548 -23.1548 -23.1548 -20.5495 -20.5495 -20.5494 -20.5494 -17.7207 -17.7207 -17.7206 -17.7206 -17.1657 -17.1657 -17.1657 -17.1657 -12.4879 -12.4879 -12.4877 -12.4877 -9.2915 -9.2915 -9.2914 -9.2914 -7.3787 -7.3787 -7.3753 -7.3753 -7.2054 -7.2054 -7.2018 -7.2018 -5.7054 -5.7054 -5.7030 -5.7030 -4.9428 -4.9428 -4.9376 -4.9376 -4.3496 -4.3496 -4.3459 -4.3459 -3.8313 -3.8313 -3.8297 -3.8297 -2.6020 -2.6020 -2.5950 -2.5950 -2.3216 -2.3216 -2.3201 -2.3201 -2.2268 -2.2268 -2.2225 -2.2225 -2.1996 -2.1996 -2.1948 -2.1948 -2.0630 -2.0630 -2.0589 -2.0589 -1.6147 -1.6147 -1.6115 -1.6115 1.6933 1.6933 1.6951 1.6951 k = 0.5000 0.1307 0.4733 ( 13270 PWs) bands (ev): -23.1549 -23.1549 -23.1549 -23.1549 -20.5509 -20.5509 -20.5508 -20.5508 -17.7168 -17.7168 -17.7168 -17.7168 -17.1658 -17.1658 -17.1658 -17.1658 -12.4896 -12.4896 -12.4894 -12.4894 -9.2963 -9.2963 -9.2962 -9.2962 -7.3791 -7.3791 -7.3762 -7.3762 -7.2061 -7.2061 -7.2029 -7.2029 -5.7080 -5.7080 -5.7059 -5.7059 -4.9413 -4.9413 -4.9370 -4.9370 -4.3380 -4.3380 -4.3349 -4.3349 -3.8490 -3.8490 -3.8476 -3.8476 -2.5950 -2.5950 -2.5892 -2.5892 -2.3208 -2.3208 -2.3196 -2.3196 -2.2232 -2.2232 -2.2202 -2.2202 -2.1903 -2.1903 -2.1867 -2.1867 -2.0521 -2.0521 -2.0485 -2.0485 -1.6194 -1.6194 -1.6159 -1.6159 1.6935 1.6935 1.6953 1.6953 k = 0.5000 0.1046 0.4733 ( 13270 PWs) bands (ev): -23.1550 -23.1550 -23.1549 -23.1549 -20.5521 -20.5521 -20.5520 -20.5520 -17.7136 -17.7136 -17.7136 -17.7136 -17.1658 -17.1658 -17.1658 -17.1658 -12.4910 -12.4910 -12.4908 -12.4908 -9.3003 -9.3003 -9.3002 -9.3002 -7.3794 -7.3794 -7.3770 -7.3770 -7.2065 -7.2065 -7.2040 -7.2040 -5.7101 -5.7101 -5.7084 -5.7084 -4.9399 -4.9399 -4.9364 -4.9364 -4.3275 -4.3275 -4.3249 -4.3249 -3.8645 -3.8645 -3.8632 -3.8632 -2.5892 -2.5892 -2.5845 -2.5845 -2.3202 -2.3202 -2.3192 -2.3192 -2.2206 -2.2206 -2.2185 -2.2185 -2.1821 -2.1821 -2.1794 -2.1794 -2.0430 -2.0430 -2.0398 -2.0398 -1.6233 -1.6233 -1.6196 -1.6196 1.6937 1.6937 1.6955 1.6955 k = 0.5000 0.0784 0.4733 ( 13262 PWs) bands (ev): -23.1550 -23.1550 -23.1550 -23.1550 -20.5530 -20.5530 -20.5529 -20.5529 -17.7111 -17.7111 -17.7111 -17.7111 -17.1658 -17.1658 -17.1658 -17.1658 -12.4921 -12.4921 -12.4920 -12.4920 -9.3034 -9.3034 -9.3033 -9.3033 -7.3795 -7.3795 -7.3776 -7.3776 -7.2068 -7.2068 -7.2049 -7.2049 -5.7118 -5.7118 -5.7105 -5.7105 -4.9387 -4.9387 -4.9360 -4.9360 -4.3186 -4.3186 -4.3165 -4.3165 -3.8772 -3.8772 -3.8761 -3.8761 -2.5845 -2.5845 -2.5810 -2.5810 -2.3198 -2.3198 -2.3190 -2.3190 -2.2188 -2.2188 -2.2173 -2.2173 -2.1754 -2.1754 -2.1734 -2.1734 -2.0357 -2.0357 -2.0329 -2.0329 -1.6265 -1.6265 -1.6226 -1.6226 1.6939 1.6939 1.6957 1.6957 k = 0.5000 0.0523 0.4733 ( 13260 PWs) bands (ev): -23.1551 -23.1551 -23.1550 -23.1550 -20.5537 -20.5537 -20.5536 -20.5536 -17.7093 -17.7093 -17.7092 -17.7092 -17.1658 -17.1658 -17.1658 -17.1658 -12.4929 -12.4929 -12.4928 -12.4928 -9.3056 -9.3056 -9.3056 -9.3056 -7.3795 -7.3795 -7.3782 -7.3782 -7.2070 -7.2070 -7.2056 -7.2056 -5.7130 -5.7130 -5.7121 -5.7121 -4.9377 -4.9377 -4.9359 -4.9359 -4.3116 -4.3116 -4.3102 -4.3102 -3.8867 -3.8867 -3.8858 -3.8858 -2.5810 -2.5810 -2.5786 -2.5786 -2.3195 -2.3195 -2.3189 -2.3189 -2.2175 -2.2175 -2.2165 -2.2165 -2.1705 -2.1705 -2.1691 -2.1691 -2.0305 -2.0305 -2.0280 -2.0280 -1.6289 -1.6289 -1.6248 -1.6248 1.6940 1.6940 1.6958 1.6958 k = 0.5000 0.0261 0.4733 ( 13256 PWs) bands (ev): -23.1551 -23.1551 -23.1550 -23.1550 -20.5541 -20.5541 -20.5540 -20.5540 -17.7082 -17.7082 -17.7081 -17.7081 -17.1659 -17.1659 -17.1659 -17.1659 -12.4934 -12.4934 -12.4932 -12.4932 -9.3070 -9.3070 -9.3070 -9.3070 -7.3795 -7.3795 -7.3785 -7.3785 -7.2070 -7.2070 -7.2062 -7.2062 -5.7137 -5.7137 -5.7131 -5.7131 -4.9369 -4.9369 -4.9359 -4.9359 -4.3071 -4.3071 -4.3064 -4.3064 -3.8926 -3.8926 -3.8919 -3.8919 -2.5786 -2.5786 -2.5774 -2.5774 -2.3193 -2.3193 -2.3188 -2.3188 -2.2167 -2.2167 -2.2160 -2.2160 -2.1674 -2.1674 -2.1664 -2.1664 -2.0273 -2.0273 -2.0250 -2.0250 -1.6303 -1.6303 -1.6261 -1.6261 1.6940 1.6940 1.6959 1.6959 k = 0.5000-0.0000 0.4733 ( 13264 PWs) bands (ev): -23.1551 -23.1551 -23.1551 -23.1551 -20.5542 -20.5542 -20.5541 -20.5541 -17.7078 -17.7078 -17.7078 -17.7078 -17.1659 -17.1659 -17.1659 -17.1659 -12.4936 -12.4936 -12.4934 -12.4934 -9.3075 -9.3075 -9.3074 -9.3074 -7.3794 -7.3794 -7.3787 -7.3787 -7.2069 -7.2069 -7.2064 -7.2064 -5.7139 -5.7139 -5.7134 -5.7134 -4.9366 -4.9366 -4.9360 -4.9360 -4.3054 -4.3054 -4.3052 -4.3052 -3.8946 -3.8946 -3.8940 -3.8940 -2.5776 -2.5776 -2.5773 -2.5773 -2.3193 -2.3193 -2.3188 -2.3188 -2.2164 -2.2164 -2.2159 -2.2159 -2.1663 -2.1663 -2.1655 -2.1655 -2.0263 -2.0263 -2.0240 -2.0240 -1.6308 -1.6308 -1.6266 -1.6266 1.6941 1.6941 1.6959 1.6959 k = 0.5000-0.0000 0.4733 ( 13264 PWs) bands (ev): -23.1551 -23.1551 -23.1551 -23.1551 -20.5542 -20.5542 -20.5541 -20.5541 -17.7078 -17.7078 -17.7078 -17.7078 -17.1659 -17.1659 -17.1659 -17.1659 -12.4936 -12.4936 -12.4934 -12.4934 -9.3075 -9.3075 -9.3074 -9.3074 -7.3794 -7.3794 -7.3787 -7.3787 -7.2069 -7.2069 -7.2064 -7.2064 -5.7139 -5.7139 -5.7134 -5.7134 -4.9366 -4.9366 -4.9360 -4.9360 -4.3054 -4.3054 -4.3052 -4.3052 -3.8946 -3.8946 -3.8940 -3.8940 -2.5776 -2.5776 -2.5773 -2.5773 -2.3193 -2.3193 -2.3188 -2.3188 -2.2164 -2.2164 -2.2159 -2.2159 -2.1663 -2.1663 -2.1655 -2.1655 -2.0263 -2.0263 -2.0240 -2.0240 -1.6308 -1.6308 -1.6266 -1.6266 1.6941 1.6941 1.6959 1.6959 k = 0.5000-0.0000 0.4484 ( 13264 PWs) bands (ev): -23.1551 -23.1551 -23.1551 -23.1551 -20.5542 -20.5542 -20.5541 -20.5541 -17.7078 -17.7078 -17.7078 -17.7078 -17.1659 -17.1659 -17.1659 -17.1659 -12.4936 -12.4936 -12.4934 -12.4934 -9.3075 -9.3075 -9.3074 -9.3074 -7.3794 -7.3794 -7.3787 -7.3787 -7.2069 -7.2069 -7.2065 -7.2065 -5.7139 -5.7139 -5.7134 -5.7134 -4.9363 -4.9363 -4.9357 -4.9357 -4.3055 -4.3055 -4.3053 -4.3053 -3.8932 -3.8932 -3.8925 -3.8925 -2.5786 -2.5786 -2.5779 -2.5779 -2.3200 -2.3200 -2.3192 -2.3192 -2.2169 -2.2169 -2.2160 -2.2160 -2.1752 -2.1752 -2.1742 -2.1742 -2.0257 -2.0257 -2.0236 -2.0236 -1.6214 -1.6214 -1.6174 -1.6174 1.6931 1.6931 1.6950 1.6950 k = 0.5000-0.0000 0.4235 ( 13258 PWs) bands (ev): -23.1551 -23.1551 -23.1551 -23.1551 -20.5542 -20.5542 -20.5541 -20.5541 -17.7078 -17.7078 -17.7078 -17.7078 -17.1659 -17.1659 -17.1659 -17.1659 -12.4936 -12.4936 -12.4934 -12.4934 -9.3075 -9.3075 -9.3074 -9.3074 -7.3794 -7.3794 -7.3787 -7.3787 -7.2071 -7.2071 -7.2066 -7.2066 -5.7139 -5.7139 -5.7134 -5.7134 -4.9356 -4.9356 -4.9350 -4.9350 -4.3060 -4.3060 -4.3055 -4.3055 -3.8888 -3.8888 -3.8880 -3.8880 -2.5813 -2.5813 -2.5800 -2.5800 -2.3222 -2.3222 -2.3210 -2.3210 -2.2199 -2.2199 -2.2170 -2.2170 -2.1984 -2.1984 -2.1961 -2.1961 -2.0246 -2.0246 -2.0228 -2.0228 -1.5952 -1.5952 -1.5915 -1.5915 1.6904 1.6904 1.6922 1.6922 k = 0.5000-0.0000 0.3986 ( 13264 PWs) bands (ev): -23.1551 -23.1551 -23.1551 -23.1551 -20.5542 -20.5542 -20.5541 -20.5541 -17.7078 -17.7078 -17.7078 -17.7078 -17.1659 -17.1659 -17.1659 -17.1659 -12.4936 -12.4936 -12.4935 -12.4935 -9.3075 -9.3075 -9.3074 -9.3074 -7.3794 -7.3794 -7.3787 -7.3787 -7.2073 -7.2073 -7.2068 -7.2068 -5.7139 -5.7139 -5.7134 -5.7134 -4.9344 -4.9344 -4.9338 -4.9338 -4.3066 -4.3066 -4.3060 -4.3060 -3.8815 -3.8815 -3.8805 -3.8805 -2.5862 -2.5862 -2.5842 -2.5842 -2.3276 -2.3276 -2.3255 -2.3255 -2.2398 -2.2398 -2.2345 -2.2345 -2.2136 -2.2136 -2.2103 -2.2103 -2.0235 -2.0235 -2.0219 -2.0219 -1.5565 -1.5565 -1.5531 -1.5531 1.6859 1.6859 1.6877 1.6877 k = 0.5000-0.0000 0.3737 ( 13244 PWs) bands (ev): -23.1551 -23.1551 -23.1551 -23.1551 -20.5542 -20.5542 -20.5541 -20.5541 -17.7078 -17.7078 -17.7078 -17.7078 -17.1658 -17.1658 -17.1658 -17.1658 -12.4937 -12.4937 -12.4935 -12.4935 -9.3075 -9.3075 -9.3075 -9.3075 -7.3794 -7.3794 -7.3787 -7.3787 -7.2076 -7.2076 -7.2071 -7.2071 -5.7138 -5.7138 -5.7134 -5.7134 -4.9328 -4.9328 -4.9321 -4.9321 -4.3074 -4.3074 -4.3067 -4.3067 -3.8713 -3.8713 -3.8702 -3.8702 -2.5941 -2.5941 -2.5912 -2.5912 -2.3403 -2.3403 -2.3373 -2.3373 -2.2707 -2.2707 -2.2657 -2.2657 -2.2144 -2.2144 -2.2124 -2.2124 -2.0226 -2.0226 -2.0213 -2.0213 -1.5095 -1.5095 -1.5065 -1.5065 1.6798 1.6798 1.6816 1.6816 k = 0.5000-0.0000 0.3488 ( 13252 PWs) bands (ev): -23.1551 -23.1551 -23.1551 -23.1551 -20.5542 -20.5542 -20.5541 -20.5541 -17.7078 -17.7078 -17.7078 -17.7078 -17.1658 -17.1658 -17.1658 -17.1658 -12.4937 -12.4937 -12.4936 -12.4936 -9.3075 -9.3075 -9.3075 -9.3075 -7.3794 -7.3794 -7.3787 -7.3787 -7.2080 -7.2080 -7.2075 -7.2075 -5.7138 -5.7138 -5.7134 -5.7134 -4.9308 -4.9308 -4.9301 -4.9301 -4.3084 -4.3084 -4.3075 -4.3075 -3.8583 -3.8583 -3.8570 -3.8570 -2.6063 -2.6063 -2.6025 -2.6025 -2.3665 -2.3665 -2.3632 -2.3632 -2.2906 -2.2906 -2.2862 -2.2862 -2.2145 -2.2145 -2.2129 -2.2129 -2.0219 -2.0219 -2.0208 -2.0208 -1.4579 -1.4579 -1.4551 -1.4551 1.6722 1.6722 1.6740 1.6740 k = 0.5000-0.0000 0.3239 ( 13262 PWs) bands (ev): -23.1551 -23.1551 -23.1551 -23.1551 -20.5542 -20.5542 -20.5541 -20.5541 -17.7078 -17.7078 -17.7078 -17.7078 -17.1658 -17.1658 -17.1658 -17.1658 -12.4938 -12.4938 -12.4937 -12.4937 -9.3076 -9.3076 -9.3075 -9.3075 -7.3795 -7.3795 -7.3787 -7.3787 -7.2084 -7.2084 -7.2079 -7.2079 -5.7138 -5.7138 -5.7133 -5.7133 -4.9284 -4.9284 -4.9278 -4.9278 -4.3095 -4.3095 -4.3084 -4.3084 -3.8424 -3.8424 -3.8409 -3.8409 -2.6251 -2.6251 -2.6203 -2.6203 -2.4016 -2.4016 -2.3979 -2.3979 -2.2989 -2.2989 -2.2956 -2.2956 -2.2144 -2.2144 -2.2130 -2.2130 -2.0214 -2.0214 -2.0204 -2.0204 -1.4040 -1.4040 -1.4014 -1.4014 1.6632 1.6632 1.6651 1.6651 k = 0.5000-0.0000 0.2989 ( 13248 PWs) bands (ev): -23.1551 -23.1551 -23.1551 -23.1551 -20.5542 -20.5542 -20.5541 -20.5541 -17.7078 -17.7078 -17.7078 -17.7078 -17.1658 -17.1658 -17.1658 -17.1658 -12.4939 -12.4939 -12.4937 -12.4937 -9.3076 -9.3076 -9.3076 -9.3076 -7.3795 -7.3795 -7.3787 -7.3787 -7.2089 -7.2089 -7.2084 -7.2084 -5.7138 -5.7138 -5.7133 -5.7133 -4.9258 -4.9258 -4.9251 -4.9251 -4.3106 -4.3106 -4.3095 -4.3095 -3.8237 -3.8237 -3.8221 -3.8221 -2.6527 -2.6527 -2.6472 -2.6472 -2.4350 -2.4350 -2.4308 -2.4308 -2.3024 -2.3024 -2.2999 -2.2999 -2.2142 -2.2142 -2.2129 -2.2129 -2.0211 -2.0211 -2.0202 -2.0202 -1.3495 -1.3495 -1.3471 -1.3471 1.6532 1.6532 1.6551 1.6551 k = 0.5000-0.0000 0.2740 ( 13244 PWs) bands (ev): -23.1551 -23.1551 -23.1551 -23.1551 -20.5542 -20.5542 -20.5541 -20.5541 -17.7078 -17.7078 -17.7078 -17.7078 -17.1658 -17.1658 -17.1658 -17.1658 -12.4940 -12.4940 -12.4938 -12.4938 -9.3076 -9.3076 -9.3076 -9.3076 -7.3795 -7.3795 -7.3788 -7.3788 -7.2094 -7.2094 -7.2089 -7.2089 -5.7137 -5.7137 -5.7133 -5.7133 -4.9231 -4.9231 -4.9224 -4.9224 -4.3117 -4.3117 -4.3106 -4.3106 -3.8024 -3.8024 -3.8006 -3.8006 -2.6903 -2.6903 -2.6846 -2.6846 -2.4611 -2.4611 -2.4568 -2.4568 -2.3043 -2.3043 -2.3022 -2.3022 -2.2141 -2.2141 -2.2128 -2.2128 -2.0208 -2.0208 -2.0200 -2.0200 -1.2958 -1.2958 -1.2936 -1.2936 1.6424 1.6424 1.6443 1.6443 k = 0.5000-0.0000 0.2491 ( 13240 PWs) bands (ev): -23.1551 -23.1551 -23.1551 -23.1551 -20.5542 -20.5542 -20.5541 -20.5541 -17.7078 -17.7078 -17.7078 -17.7078 -17.1658 -17.1658 -17.1658 -17.1658 -12.4940 -12.4940 -12.4939 -12.4939 -9.3077 -9.3077 -9.3076 -9.3076 -7.3795 -7.3795 -7.3788 -7.3788 -7.2099 -7.2099 -7.2094 -7.2094 -5.7137 -5.7137 -5.7133 -5.7133 -4.9202 -4.9202 -4.9195 -4.9195 -4.3129 -4.3129 -4.3117 -4.3117 -3.7784 -3.7784 -3.7766 -3.7766 -2.7364 -2.7364 -2.7310 -2.7310 -2.4792 -2.4792 -2.4753 -2.4753 -2.3053 -2.3053 -2.3035 -2.3035 -2.2138 -2.2138 -2.2126 -2.2126 -2.0206 -2.0206 -2.0199 -2.0199 -1.2438 -1.2438 -1.2417 -1.2417 1.6310 1.6310 1.6329 1.6329 k = 0.5000-0.0000 0.2242 ( 13244 PWs) bands (ev): -23.1551 -23.1551 -23.1551 -23.1551 -20.5542 -20.5542 -20.5542 -20.5542 -17.7078 -17.7078 -17.7078 -17.7078 -17.1658 -17.1658 -17.1658 -17.1658 -12.4941 -12.4941 -12.4940 -12.4940 -9.3077 -9.3077 -9.3077 -9.3077 -7.3795 -7.3795 -7.3788 -7.3788 -7.2104 -7.2104 -7.2100 -7.2100 -5.7137 -5.7137 -5.7132 -5.7132 -4.9173 -4.9173 -4.9166 -4.9166 -4.3140 -4.3140 -4.3129 -4.3129 -3.7519 -3.7519 -3.7500 -3.7500 -2.7886 -2.7886 -2.7836 -2.7836 -2.4912 -2.4912 -2.4878 -2.4878 -2.3061 -2.3061 -2.3044 -2.3044 -2.2136 -2.2136 -2.2124 -2.2124 -2.0205 -2.0205 -2.0198 -2.0198 -1.1944 -1.1944 -1.1924 -1.1924 1.6193 1.6193 1.6212 1.6212 k = 0.5000-0.0000 0.1993 ( 13258 PWs) bands (ev): -23.1551 -23.1551 -23.1551 -23.1551 -20.5542 -20.5542 -20.5542 -20.5542 -17.7078 -17.7078 -17.7078 -17.7078 -17.1658 -17.1658 -17.1657 -17.1657 -12.4942 -12.4942 -12.4941 -12.4941 -9.3078 -9.3078 -9.3077 -9.3077 -7.3795 -7.3795 -7.3788 -7.3788 -7.2109 -7.2109 -7.2105 -7.2105 -5.7136 -5.7136 -5.7132 -5.7132 -4.9144 -4.9144 -4.9137 -4.9137 -4.3151 -4.3151 -4.3140 -4.3140 -3.7232 -3.7232 -3.7212 -3.7212 -2.8441 -2.8441 -2.8395 -2.8395 -2.4992 -2.4992 -2.4963 -2.4963 -2.3065 -2.3065 -2.3051 -2.3051 -2.2134 -2.2134 -2.2122 -2.2122 -2.0203 -2.0203 -2.0197 -2.0197 -1.1482 -1.1482 -1.1463 -1.1463 1.6077 1.6077 1.6096 1.6096 k = 0.5000-0.0000 0.1744 ( 13256 PWs) bands (ev): -23.1551 -23.1551 -23.1551 -23.1551 -20.5542 -20.5542 -20.5542 -20.5542 -17.7078 -17.7078 -17.7078 -17.7078 -17.1657 -17.1657 -17.1657 -17.1657 -12.4943 -12.4943 -12.4942 -12.4942 -9.3078 -9.3078 -9.3077 -9.3077 -7.3795 -7.3795 -7.3788 -7.3788 -7.2114 -7.2114 -7.2110 -7.2110 -5.7136 -5.7136 -5.7132 -5.7132 -4.9117 -4.9117 -4.9110 -4.9110 -4.3160 -4.3160 -4.3150 -4.3150 -3.6923 -3.6923 -3.6902 -3.6902 -2.9008 -2.9008 -2.8966 -2.8966 -2.5046 -2.5046 -2.5022 -2.5022 -2.3069 -2.3069 -2.3055 -2.3055 -2.2132 -2.2132 -2.2120 -2.2120 -2.0202 -2.0202 -2.0196 -2.0196 -1.1058 -1.1058 -1.1040 -1.1040 1.5965 1.5965 1.5983 1.5983 k = 0.5000-0.0000 0.1495 ( 13266 PWs) bands (ev): -23.1551 -23.1551 -23.1551 -23.1551 -20.5542 -20.5542 -20.5542 -20.5542 -17.7078 -17.7078 -17.7078 -17.7078 -17.1657 -17.1657 -17.1657 -17.1657 -12.4944 -12.4944 -12.4942 -12.4942 -9.3078 -9.3078 -9.3078 -9.3078 -7.3795 -7.3795 -7.3788 -7.3788 -7.2119 -7.2119 -7.2115 -7.2115 -5.7136 -5.7136 -5.7131 -5.7131 -4.9092 -4.9092 -4.9086 -4.9086 -4.3169 -4.3169 -4.3159 -4.3159 -3.6598 -3.6598 -3.6577 -3.6577 -2.9572 -2.9572 -2.9534 -2.9534 -2.5083 -2.5083 -2.5064 -2.5064 -2.3072 -2.3072 -2.3059 -2.3059 -2.2130 -2.2130 -2.2119 -2.2119 -2.0202 -2.0202 -2.0196 -2.0196 -1.0679 -1.0679 -1.0661 -1.0661 1.5859 1.5859 1.5878 1.5878 k = 0.5000-0.0000 0.1246 ( 13276 PWs) bands (ev): -23.1551 -23.1551 -23.1551 -23.1551 -20.5542 -20.5542 -20.5542 -20.5542 -17.7078 -17.7078 -17.7078 -17.7078 -17.1657 -17.1657 -17.1657 -17.1657 -12.4944 -12.4944 -12.4943 -12.4943 -9.3079 -9.3079 -9.3078 -9.3078 -7.3795 -7.3795 -7.3788 -7.3788 -7.2123 -7.2123 -7.2119 -7.2119 -5.7136 -5.7136 -5.7131 -5.7131 -4.9070 -4.9070 -4.9063 -4.9063 -4.3176 -4.3176 -4.3168 -4.3168 -3.6261 -3.6261 -3.6240 -3.6240 -3.0119 -3.0119 -3.0085 -3.0085 -2.5109 -2.5109 -2.5094 -2.5094 -2.3074 -2.3074 -2.3061 -2.3061 -2.2128 -2.2128 -2.2117 -2.2117 -2.0201 -2.0201 -2.0195 -2.0195 -1.0348 -1.0348 -1.0331 -1.0331 1.5764 1.5764 1.5782 1.5782 k = 0.5000-0.0000 0.0996 ( 13274 PWs) bands (ev): -23.1551 -23.1551 -23.1551 -23.1551 -20.5542 -20.5542 -20.5542 -20.5542 -17.7078 -17.7078 -17.7078 -17.7078 -17.1657 -17.1657 -17.1657 -17.1657 -12.4945 -12.4945 -12.4944 -12.4944 -9.3079 -9.3079 -9.3078 -9.3078 -7.3795 -7.3795 -7.3788 -7.3788 -7.2127 -7.2127 -7.2122 -7.2122 -5.7135 -5.7135 -5.7131 -5.7131 -4.9050 -4.9050 -4.9044 -4.9044 -4.3182 -4.3182 -4.3175 -4.3175 -3.5921 -3.5921 -3.5901 -3.5901 -3.0635 -3.0635 -3.0605 -3.0605 -2.5127 -2.5127 -2.5115 -2.5115 -2.3075 -2.3075 -2.3063 -2.3063 -2.2127 -2.2127 -2.2115 -2.2115 -2.0200 -2.0200 -2.0195 -2.0195 -1.0071 -1.0071 -1.0055 -1.0055 1.5681 1.5681 1.5699 1.5699 k = 0.5000-0.0000 0.0747 ( 13280 PWs) bands (ev): -23.1551 -23.1551 -23.1551 -23.1551 -20.5542 -20.5542 -20.5542 -20.5542 -17.7078 -17.7078 -17.7078 -17.7078 -17.1657 -17.1657 -17.1657 -17.1657 -12.4946 -12.4946 -12.4944 -12.4944 -9.3079 -9.3079 -9.3078 -9.3078 -7.3795 -7.3795 -7.3788 -7.3788 -7.2130 -7.2130 -7.2125 -7.2125 -5.7135 -5.7135 -5.7131 -5.7131 -4.9035 -4.9035 -4.9029 -4.9029 -4.3186 -4.3186 -4.3181 -4.3181 -3.5595 -3.5595 -3.5576 -3.5576 -3.1100 -3.1100 -3.1075 -3.1075 -2.5140 -2.5140 -2.5131 -2.5131 -2.3076 -2.3076 -2.3065 -2.3065 -2.2125 -2.2125 -2.2114 -2.2114 -2.0200 -2.0200 -2.0194 -2.0194 -0.9851 -0.9851 -0.9835 -0.9835 1.5614 1.5614 1.5631 1.5631 k = 0.5000-0.0000 0.0498 ( 13284 PWs) bands (ev): -23.1551 -23.1551 -23.1551 -23.1551 -20.5542 -20.5542 -20.5542 -20.5542 -17.7078 -17.7078 -17.7078 -17.7078 -17.1657 -17.1657 -17.1657 -17.1657 -12.4946 -12.4946 -12.4944 -12.4944 -9.3079 -9.3079 -9.3079 -9.3079 -7.3795 -7.3795 -7.3788 -7.3788 -7.2132 -7.2132 -7.2127 -7.2127 -5.7135 -5.7135 -5.7131 -5.7131 -4.9023 -4.9023 -4.9018 -4.9018 -4.3189 -4.3189 -4.3185 -4.3185 -3.5307 -3.5307 -3.5291 -3.5291 -3.1486 -3.1486 -3.1467 -3.1467 -2.5147 -2.5147 -2.5141 -2.5141 -2.3077 -2.3077 -2.3066 -2.3066 -2.2124 -2.2124 -2.2113 -2.2113 -2.0200 -2.0200 -2.0194 -2.0194 -0.9692 -0.9692 -0.9676 -0.9676 1.5564 1.5564 1.5581 1.5581 k = 0.5000-0.0000 0.0249 ( 13278 PWs) bands (ev): -23.1551 -23.1551 -23.1551 -23.1551 -20.5542 -20.5542 -20.5542 -20.5542 -17.7078 -17.7078 -17.7078 -17.7078 -17.1657 -17.1657 -17.1657 -17.1657 -12.4946 -12.4946 -12.4945 -12.4945 -9.3079 -9.3079 -9.3079 -9.3079 -7.3795 -7.3795 -7.3788 -7.3788 -7.2133 -7.2133 -7.2129 -7.2129 -5.7135 -5.7135 -5.7131 -5.7131 -4.9016 -4.9016 -4.9011 -4.9011 -4.3191 -4.3191 -4.3188 -4.3188 -3.5098 -3.5098 -3.5087 -3.5087 -3.1751 -3.1751 -3.1740 -3.1740 -2.5151 -2.5151 -2.5148 -2.5148 -2.3077 -2.3077 -2.3066 -2.3066 -2.2124 -2.2124 -2.2113 -2.2113 -2.0200 -2.0200 -2.0194 -2.0194 -0.9596 -0.9596 -0.9580 -0.9580 1.5534 1.5534 1.5551 1.5551 k = 0.5000-0.0000-0.0000 ( 13282 PWs) bands (ev): -23.1551 -23.1551 -23.1551 -23.1551 -20.5542 -20.5542 -20.5542 -20.5542 -17.7078 -17.7078 -17.7078 -17.7078 -17.1657 -17.1657 -17.1657 -17.1657 -12.4946 -12.4946 -12.4945 -12.4945 -9.3079 -9.3079 -9.3079 -9.3079 -7.3795 -7.3795 -7.3788 -7.3788 -7.2133 -7.2133 -7.2129 -7.2129 -5.7135 -5.7135 -5.7131 -5.7131 -4.9014 -4.9014 -4.9009 -4.9009 -4.3191 -4.3191 -4.3189 -4.3189 -3.5019 -3.5019 -3.5012 -3.5012 -3.1843 -3.1843 -3.1843 -3.1843 -2.5152 -2.5152 -2.5150 -2.5150 -2.3078 -2.3078 -2.3066 -2.3066 -2.2124 -2.2124 -2.2113 -2.2113 -2.0200 -2.0200 -2.0194 -2.0194 -0.9563 -0.9563 -0.9548 -0.9548 1.5523 1.5523 1.5540 1.5540 k = 0.0000 0.0000 0.4733 ( 13240 PWs) bands (ev): -23.1858 -23.1858 -23.1232 -23.1232 -20.6212 -20.6212 -20.4874 -20.4874 -17.7113 -17.7113 -17.7041 -17.7041 -17.1720 -17.1720 -17.1598 -17.1598 -12.7997 -12.7997 -12.0908 -12.0908 -9.8801 -9.8801 -8.8005 -8.8005 -7.5594 -7.5594 -7.3219 -7.3219 -7.1515 -7.1515 -7.0704 -7.0704 -6.0024 -6.0024 -5.5016 -5.5016 -5.0981 -5.0981 -4.6553 -4.6553 -4.3864 -4.3864 -4.2956 -4.2956 -4.0488 -4.0488 -3.8654 -3.8654 -2.6388 -2.6388 -2.5239 -2.5239 -2.4335 -2.4335 -2.2635 -2.2635 -2.2290 -2.2290 -2.2090 -2.2090 -2.1798 -2.1798 -2.0293 -2.0293 -2.0267 -2.0267 -1.9889 -1.9889 -1.6696 -1.6696 -1.5530 -1.5530 1.2324 1.2324 2.4869 2.4869 k = 0.0250-0.0000 0.4733 ( 13236 PWs) bands (ev): -23.1857 -23.1857 -23.1233 -23.1233 -20.6210 -20.6210 -20.4876 -20.4876 -17.7113 -17.7113 -17.7041 -17.7041 -17.1720 -17.1720 -17.1598 -17.1598 -12.7989 -12.7989 -12.0923 -12.0923 -9.8781 -9.8781 -8.8020 -8.8020 -7.5589 -7.5589 -7.3215 -7.3215 -7.1524 -7.1522 -7.0710 -7.0709 -6.0013 -6.0013 -5.5022 -5.5021 -5.0978 -5.0978 -4.6566 -4.6565 -4.3859 -4.3859 -4.2954 -4.2954 -4.0483 -4.0482 -3.8652 -3.8652 -2.6386 -2.6386 -2.5240 -2.5240 -2.4332 -2.4332 -2.2634 -2.2633 -2.2290 -2.2289 -2.2091 -2.2090 -2.1801 -2.1801 -2.0295 -2.0293 -2.0268 -2.0266 -1.9895 -1.9893 -1.6698 -1.6693 -1.5535 -1.5532 1.2337 1.2338 2.4804 2.4808 k = 0.0500-0.0000 0.4733 ( 13232 PWs) bands (ev): -23.1854 -23.1854 -23.1236 -23.1236 -20.6204 -20.6204 -20.4882 -20.4882 -17.7113 -17.7113 -17.7041 -17.7041 -17.1719 -17.1719 -17.1598 -17.1598 -12.7963 -12.7963 -12.0968 -12.0968 -9.8721 -9.8721 -8.8066 -8.8066 -7.5574 -7.5573 -7.3205 -7.3205 -7.1546 -7.1544 -7.0728 -7.0725 -5.9980 -5.9980 -5.5039 -5.5038 -5.0968 -5.0967 -4.6602 -4.6601 -4.3844 -4.3844 -4.2950 -4.2950 -4.0468 -4.0467 -3.8647 -3.8646 -2.6380 -2.6380 -2.5244 -2.5244 -2.4322 -2.4322 -2.2630 -2.2629 -2.2288 -2.2288 -2.2095 -2.2093 -2.1811 -2.1810 -2.0301 -2.0297 -2.0269 -2.0266 -1.9910 -1.9906 -1.6697 -1.6688 -1.5545 -1.5540 1.2375 1.2378 2.4626 2.4632 k = 0.0750-0.0000 0.4733 ( 13220 PWs) bands (ev): -23.1849 -23.1849 -23.1241 -23.1241 -20.6193 -20.6193 -20.4893 -20.4892 -17.7112 -17.7112 -17.7042 -17.7042 -17.1718 -17.1718 -17.1599 -17.1599 -12.7921 -12.7920 -12.1042 -12.1042 -9.8623 -9.8623 -8.8143 -8.8143 -7.5549 -7.5548 -7.3188 -7.3188 -7.1584 -7.1580 -7.0756 -7.0753 -5.9927 -5.9926 -5.5068 -5.5067 -5.0952 -5.0950 -4.6661 -4.6660 -4.3820 -4.3819 -4.2944 -4.2944 -4.0443 -4.0441 -3.8638 -3.8637 -2.6371 -2.6370 -2.5252 -2.5251 -2.4305 -2.4305 -2.2623 -2.2622 -2.2286 -2.2285 -2.2101 -2.2099 -2.1825 -2.1825 -2.0311 -2.0305 -2.0270 -2.0266 -1.9935 -1.9927 -1.6696 -1.6682 -1.5561 -1.5553 1.2438 1.2443 2.4357 2.4366 k = 0.1000-0.0000 0.4733 ( 13220 PWs) bands (ev): -23.1843 -23.1843 -23.1248 -23.1247 -20.6179 -20.6179 -20.4907 -20.4907 -17.7111 -17.7111 -17.7042 -17.7042 -17.1717 -17.1717 -17.1601 -17.1601 -12.7861 -12.7861 -12.1145 -12.1144 -9.8487 -9.8486 -8.8249 -8.8249 -7.5514 -7.5513 -7.3164 -7.3164 -7.1636 -7.1631 -7.0794 -7.0790 -5.9853 -5.9852 -5.5108 -5.5107 -5.0928 -5.0926 -4.6742 -4.6741 -4.3787 -4.3786 -4.2937 -4.2936 -4.0408 -4.0405 -3.8626 -3.8625 -2.6358 -2.6357 -2.5262 -2.5261 -2.4282 -2.4282 -2.2613 -2.2612 -2.2283 -2.2282 -2.2109 -2.2107 -2.1845 -2.1844 -2.0327 -2.0318 -2.0272 -2.0266 -1.9966 -1.9956 -1.6692 -1.6674 -1.5583 -1.5572 1.2528 1.2534 2.4023 2.4033 k = 0.1250-0.0000 0.4733 ( 13218 PWs) bands (ev): -23.1835 -23.1835 -23.1256 -23.1256 -20.6161 -20.6161 -20.4925 -20.4925 -17.7110 -17.7110 -17.7043 -17.7043 -17.1715 -17.1715 -17.1602 -17.1602 -12.7785 -12.7784 -12.1274 -12.1273 -9.8315 -9.8314 -8.8384 -8.8384 -7.5470 -7.5468 -7.3134 -7.3133 -7.1703 -7.1697 -7.0841 -7.0836 -5.9759 -5.9758 -5.5159 -5.5158 -5.0897 -5.0894 -4.6843 -4.6842 -4.3747 -4.3745 -4.2929 -4.2928 -4.0363 -4.0359 -3.8612 -3.8611 -2.6341 -2.6340 -2.5275 -2.5274 -2.4252 -2.4252 -2.2601 -2.2599 -2.2279 -2.2278 -2.2121 -2.2118 -2.1869 -2.1868 -2.0348 -2.0338 -2.0273 -2.0265 -2.0002 -1.9991 -1.6687 -1.6665 -1.5609 -1.5597 1.2642 1.2650 2.3643 2.3655 k = 0.1500-0.0000 0.4733 ( 13232 PWs) bands (ev): -23.1825 -23.1825 -23.1267 -23.1267 -20.6139 -20.6139 -20.4947 -20.4947 -17.7109 -17.7109 -17.7045 -17.7045 -17.1713 -17.1713 -17.1604 -17.1604 -12.7692 -12.7692 -12.1428 -12.1427 -9.8108 -9.8108 -8.8548 -8.8548 -7.5415 -7.5413 -7.3097 -7.3096 -7.1784 -7.1777 -7.0896 -7.0890 -5.9648 -5.9647 -5.5222 -5.5220 -5.0858 -5.0854 -4.6962 -4.6960 -4.3700 -4.3699 -4.2921 -4.2920 -4.0308 -4.0303 -3.8598 -3.8596 -2.6321 -2.6320 -2.5291 -2.5289 -2.4216 -2.4216 -2.2587 -2.2585 -2.2275 -2.2273 -2.2136 -2.2132 -2.1896 -2.1894 -2.0379 -2.0367 -2.0274 -2.0265 -2.0041 -2.0028 -1.6679 -1.6653 -1.5641 -1.5626 1.2781 1.2790 2.3233 2.3246 k = 0.1750-0.0000 0.4733 ( 13238 PWs) bands (ev): -23.1813 -23.1813 -23.1280 -23.1279 -20.6113 -20.6113 -20.4973 -20.4972 -17.7108 -17.7108 -17.7046 -17.7046 -17.1711 -17.1711 -17.1607 -17.1607 -12.7583 -12.7583 -12.1604 -12.1603 -9.7870 -9.7870 -8.8740 -8.8739 -7.5352 -7.5349 -7.3054 -7.3053 -7.1878 -7.1870 -7.0958 -7.0951 -5.9521 -5.9519 -5.5296 -5.5293 -5.0811 -5.0807 -4.7096 -4.7094 -4.3650 -4.3648 -4.2914 -4.2913 -4.0243 -4.0238 -3.8583 -3.8582 -2.6297 -2.6296 -2.5310 -2.5308 -2.4174 -2.4173 -2.2570 -2.2568 -2.2271 -2.2269 -2.2154 -2.2150 -2.1924 -2.1922 -2.0421 -2.0408 -2.0275 -2.0265 -2.0078 -2.0064 -1.6670 -1.6640 -1.5677 -1.5660 1.2945 1.2955 2.2802 2.2815 k = 0.2000-0.0000 0.4733 ( 13244 PWs) bands (ev): -23.1800 -23.1800 -23.1294 -23.1293 -20.6084 -20.6083 -20.5002 -20.5001 -17.7106 -17.7106 -17.7048 -17.7048 -17.1708 -17.1708 -17.1609 -17.1609 -12.7459 -12.7458 -12.1801 -12.1800 -9.7603 -9.7602 -8.8957 -8.8957 -7.5278 -7.5275 -7.3005 -7.3003 -7.1985 -7.1977 -7.1025 -7.1018 -5.9379 -5.9377 -5.5381 -5.5378 -5.0755 -5.0750 -4.7243 -4.7241 -4.3596 -4.3594 -4.2909 -4.2908 -4.0168 -4.0163 -3.8571 -3.8569 -2.6270 -2.6269 -2.5331 -2.5330 -2.4125 -2.4124 -2.2553 -2.2550 -2.2270 -2.2267 -2.2173 -2.2168 -2.1951 -2.1949 -2.0477 -2.0461 -2.0276 -2.0264 -2.0112 -2.0096 -1.6658 -1.6625 -1.5718 -1.5697 1.3132 1.3144 2.2356 2.2370 k = 0.2250-0.0000 0.4733 ( 13258 PWs) bands (ev): -23.1785 -23.1785 -23.1309 -23.1309 -20.6051 -20.6051 -20.5034 -20.5034 -17.7105 -17.7105 -17.7050 -17.7050 -17.1705 -17.1705 -17.1612 -17.1612 -12.7319 -12.7318 -12.2016 -12.2015 -9.7309 -9.7308 -8.9200 -8.9200 -7.5196 -7.5193 -7.2950 -7.2948 -7.2104 -7.2095 -7.1097 -7.1090 -5.9224 -5.9222 -5.5476 -5.5473 -5.0690 -5.0685 -4.7402 -4.7399 -4.3540 -4.3538 -4.2906 -4.2905 -4.0085 -4.0079 -3.8561 -3.8559 -2.6240 -2.6239 -2.5356 -2.5354 -2.4071 -2.4070 -2.2538 -2.2534 -2.2276 -2.2270 -2.2188 -2.2182 -2.1976 -2.1975 -2.0545 -2.0529 -2.0277 -2.0264 -2.0140 -2.0124 -1.6643 -1.6608 -1.5761 -1.5739 1.3343 1.3355 2.1900 2.1915 k = 0.2500-0.0000 0.4733 ( 13264 PWs) bands (ev): -23.1769 -23.1769 -23.1327 -23.1326 -20.6016 -20.6015 -20.5070 -20.5069 -17.7103 -17.7103 -17.7052 -17.7052 -17.1702 -17.1702 -17.1616 -17.1616 -12.7164 -12.7163 -12.2247 -12.2246 -9.6990 -9.6990 -8.9467 -8.9466 -7.5105 -7.5101 -7.2890 -7.2888 -7.2233 -7.2224 -7.1174 -7.1166 -5.9058 -5.9055 -5.5582 -5.5579 -5.0616 -5.0611 -4.7569 -4.7566 -4.3484 -4.3482 -4.2906 -4.2905 -3.9993 -3.9986 -3.8555 -3.8553 -2.6207 -2.6206 -2.5383 -2.5381 -2.4011 -2.4009 -2.2529 -2.2523 -2.2290 -2.2282 -2.2191 -2.2185 -2.1999 -2.1998 -2.0626 -2.0609 -2.0278 -2.0263 -2.0163 -2.0146 -1.6627 -1.6589 -1.5807 -1.5783 1.3575 1.3589 2.1439 2.1454 k = 0.2750-0.0000 0.4733 ( 13260 PWs) bands (ev): -23.1752 -23.1751 -23.1345 -23.1345 -20.5977 -20.5976 -20.5108 -20.5108 -17.7101 -17.7101 -17.7054 -17.7054 -17.1698 -17.1698 -17.1619 -17.1619 -12.6994 -12.6993 -12.2492 -12.2490 -9.6651 -9.6650 -8.9755 -8.9755 -7.5006 -7.5001 -7.2825 -7.2822 -7.2371 -7.2362 -7.1254 -7.1246 -5.8883 -5.8880 -5.5699 -5.5695 -5.0532 -5.0527 -4.7744 -4.7740 -4.3429 -4.3427 -4.2908 -4.2907 -3.9894 -3.9887 -3.8555 -3.8552 -2.6171 -2.6170 -2.5413 -2.5411 -2.3945 -2.3944 -2.2536 -2.2528 -2.2304 -2.2293 -2.2182 -2.2177 -2.2019 -2.2018 -2.0717 -2.0700 -2.0278 -2.0262 -2.0182 -2.0163 -1.6607 -1.6568 -1.5856 -1.5829 1.3830 1.3844 2.0974 2.0989 k = 0.3000-0.0000 0.4733 ( 13250 PWs) bands (ev): -23.1733 -23.1732 -23.1365 -23.1365 -20.5936 -20.5935 -20.5149 -20.5149 -17.7099 -17.7099 -17.7056 -17.7056 -17.1695 -17.1695 -17.1623 -17.1623 -12.6811 -12.6809 -12.2747 -12.2745 -9.6293 -9.6292 -9.0065 -9.0065 -7.4898 -7.4893 -7.2755 -7.2752 -7.2516 -7.2508 -7.1337 -7.1330 -5.8699 -5.8696 -5.5825 -5.5822 -5.0439 -5.0434 -4.7924 -4.7920 -4.3376 -4.3374 -4.2913 -4.2912 -3.9790 -3.9783 -3.8562 -3.8559 -2.6133 -2.6132 -2.5446 -2.5443 -2.3875 -2.3873 -2.2564 -2.2555 -2.2305 -2.2293 -2.2164 -2.2160 -2.2036 -2.2036 -2.0816 -2.0799 -2.0278 -2.0261 -2.0197 -2.0178 -1.6585 -1.6544 -1.5906 -1.5877 1.4105 1.4120 2.0508 2.0524 k = 0.3250-0.0000 0.4733 ( 13248 PWs) bands (ev): -23.1713 -23.1712 -23.1386 -23.1385 -20.5892 -20.5891 -20.5193 -20.5192 -17.7097 -17.7096 -17.7059 -17.7059 -17.1691 -17.1691 -17.1627 -17.1627 -12.6614 -12.6613 -12.3011 -12.3009 -9.5919 -9.5919 -9.0394 -9.0393 -7.4782 -7.4777 -7.2690 -7.2685 -7.2655 -7.2654 -7.1423 -7.1416 -5.8510 -5.8507 -5.5961 -5.5957 -5.0337 -5.0331 -4.8107 -4.8102 -4.3325 -4.3323 -4.2921 -4.2920 -3.9681 -3.9674 -3.8577 -3.8573 -2.6092 -2.6091 -2.5480 -2.5478 -2.3801 -2.3798 -2.2614 -2.2604 -2.2293 -2.2280 -2.2137 -2.2135 -2.2053 -2.2051 -2.0920 -2.0904 -2.0278 -2.0260 -2.0210 -2.0190 -1.6560 -1.6518 -1.5958 -1.5927 1.4400 1.4416 2.0043 2.0060 k = 0.3500-0.0000 0.4733 ( 13250 PWs) bands (ev): -23.1692 -23.1691 -23.1408 -23.1407 -20.5846 -20.5845 -20.5239 -20.5238 -17.7094 -17.7094 -17.7061 -17.7061 -17.1686 -17.1686 -17.1631 -17.1631 -12.6405 -12.6404 -12.3281 -12.3280 -9.5532 -9.5532 -9.0740 -9.0739 -7.4659 -7.4654 -7.2827 -7.2818 -7.2600 -7.2596 -7.1511 -7.1505 -5.8317 -5.8313 -5.6107 -5.6103 -5.0224 -5.0218 -4.8292 -4.8287 -4.3277 -4.3275 -4.2932 -4.2931 -3.9570 -3.9562 -3.8600 -3.8596 -2.6050 -2.6049 -2.5518 -2.5515 -2.3722 -2.3719 -2.2679 -2.2670 -2.2273 -2.2262 -2.2107 -2.2102 -2.2065 -2.2059 -2.1028 -2.1012 -2.0277 -2.0258 -2.0221 -2.0200 -1.6532 -1.6489 -1.6010 -1.5977 1.4714 1.4731 1.9581 1.9598 k = 0.3750-0.0000 0.4733 ( 13242 PWs) bands (ev): -23.1670 -23.1669 -23.1430 -23.1430 -20.5798 -20.5798 -20.5286 -20.5286 -17.7092 -17.7092 -17.7064 -17.7064 -17.1682 -17.1682 -17.1635 -17.1635 -12.6184 -12.6183 -12.3557 -12.3555 -9.5135 -9.5134 -9.1101 -9.1101 -7.4529 -7.4523 -7.2986 -7.2978 -7.2518 -7.2514 -7.1602 -7.1595 -5.8120 -5.8116 -5.6261 -5.6256 -5.0103 -5.0097 -4.8477 -4.8472 -4.3232 -4.3230 -4.2946 -4.2944 -3.9458 -3.9450 -3.8633 -3.8628 -2.6006 -2.6005 -2.5557 -2.5554 -2.3640 -2.3636 -2.2753 -2.2745 -2.2252 -2.2242 -2.2098 -2.2090 -2.2043 -2.2035 -2.1138 -2.1123 -2.0276 -2.0257 -2.0230 -2.0209 -1.6501 -1.6458 -1.6062 -1.6027 1.5046 1.5063 1.9123 1.9140 k = 0.4000-0.0000 0.4733 ( 13248 PWs) bands (ev): -23.1647 -23.1647 -23.1454 -23.1453 -20.5749 -20.5748 -20.5336 -20.5335 -17.7089 -17.7089 -17.7067 -17.7066 -17.1678 -17.1678 -17.1640 -17.1640 -12.5952 -12.5951 -12.3834 -12.3833 -9.4729 -9.4728 -9.1476 -9.1476 -7.4393 -7.4387 -7.3148 -7.3140 -7.2433 -7.2429 -7.1694 -7.1688 -5.7922 -5.7918 -5.6423 -5.6418 -4.9972 -4.9966 -4.8661 -4.8656 -4.3190 -4.3188 -4.2962 -4.2961 -3.9347 -3.9339 -3.8675 -3.8670 -2.5961 -2.5959 -2.5598 -2.5595 -2.3554 -2.3550 -2.2835 -2.2827 -2.2232 -2.2223 -2.2108 -2.2102 -2.1985 -2.1982 -2.1248 -2.1234 -2.0275 -2.0254 -2.0239 -2.0217 -1.6468 -1.6424 -1.6114 -1.6077 1.5395 1.5413 1.8671 1.8688 k = 0.4250-0.0000 0.4733 ( 13260 PWs) bands (ev): -23.1624 -23.1623 -23.1477 -23.1477 -20.5698 -20.5698 -20.5386 -20.5385 -17.7086 -17.7086 -17.7069 -17.7069 -17.1673 -17.1673 -17.1644 -17.1644 -12.5710 -12.5709 -12.4113 -12.4111 -9.4318 -9.4317 -9.1863 -9.1863 -7.4250 -7.4244 -7.3311 -7.3303 -7.2345 -7.2340 -7.1787 -7.1781 -5.7723 -5.7719 -5.6592 -5.6588 -4.9832 -4.9826 -4.8844 -4.8838 -4.3151 -4.3150 -4.2981 -4.2980 -3.9238 -3.9231 -3.8728 -3.8723 -2.5915 -2.5913 -2.5640 -2.5638 -2.3466 -2.3462 -2.2921 -2.2914 -2.2213 -2.2206 -2.2121 -2.2116 -2.1916 -2.1915 -2.1357 -2.1344 -2.0272 -2.0252 -2.0246 -2.0224 -1.6432 -1.6388 -1.6164 -1.6126 1.5760 1.5778 1.8225 1.8243 k = 0.4500-0.0000 0.4733 ( 13266 PWs) bands (ev): -23.1600 -23.1599 -23.1502 -23.1501 -20.5647 -20.5646 -20.5438 -20.5437 -17.7083 -17.7083 -17.7072 -17.7072 -17.1668 -17.1668 -17.1649 -17.1649 -12.5460 -12.5458 -12.4390 -12.4389 -9.3904 -9.3903 -9.2260 -9.2259 -7.4103 -7.4096 -7.3474 -7.3466 -7.2254 -7.2250 -7.1881 -7.1875 -5.7526 -5.7522 -5.6769 -5.6764 -4.9684 -4.9678 -4.9022 -4.9017 -4.3116 -4.3114 -4.3003 -4.3001 -3.9135 -3.9127 -3.8791 -3.8785 -2.5869 -2.5867 -2.5684 -2.5682 -2.3376 -2.3372 -2.3010 -2.3004 -2.2196 -2.2190 -2.2135 -2.2130 -2.1839 -2.1836 -2.1463 -2.1452 -2.0270 -2.0252 -2.0248 -2.0230 -1.6393 -1.6350 -1.6214 -1.6174 1.6140 1.6158 1.7787 1.7805 k = 0.4750-0.0000 0.4733 ( 13260 PWs) bands (ev): -23.1575 -23.1575 -23.1526 -23.1526 -20.5595 -20.5594 -20.5490 -20.5489 -17.7081 -17.7081 -17.7075 -17.7075 -17.1663 -17.1663 -17.1654 -17.1654 -12.5201 -12.5199 -12.4665 -12.4663 -9.3488 -9.3488 -9.2664 -9.2664 -7.3950 -7.3944 -7.3635 -7.3628 -7.2162 -7.2158 -7.1975 -7.1970 -5.7331 -5.7326 -5.6951 -5.6947 -4.9528 -4.9522 -4.9197 -4.9191 -4.3083 -4.3082 -4.3027 -4.3025 -3.9037 -3.9030 -3.8864 -3.8858 -2.5822 -2.5820 -2.5730 -2.5727 -2.3285 -2.3280 -2.3101 -2.3095 -2.2180 -2.2174 -2.2149 -2.2145 -2.1755 -2.1749 -2.1565 -2.1556 -2.0266 -2.0258 -2.0245 -2.0236 -1.6351 -1.6309 -1.6262 -1.6221 1.6534 1.6552 1.7359 1.7377 k = 0.5000-0.0000 0.4733 ( 13264 PWs) bands (ev): -23.1551 -23.1551 -23.1551 -23.1551 -20.5542 -20.5542 -20.5541 -20.5541 -17.7078 -17.7078 -17.7078 -17.7078 -17.1659 -17.1659 -17.1659 -17.1659 -12.4936 -12.4936 -12.4934 -12.4934 -9.3075 -9.3075 -9.3074 -9.3074 -7.3794 -7.3794 -7.3787 -7.3787 -7.2069 -7.2069 -7.2064 -7.2064 -5.7139 -5.7139 -5.7134 -5.7134 -4.9366 -4.9366 -4.9360 -4.9360 -4.3054 -4.3054 -4.3052 -4.3052 -3.8946 -3.8946 -3.8940 -3.8940 -2.5776 -2.5776 -2.5773 -2.5773 -2.3193 -2.3193 -2.3188 -2.3188 -2.2164 -2.2164 -2.2159 -2.2159 -2.1663 -2.1663 -2.1655 -2.1655 -2.0263 -2.0263 -2.0240 -2.0240 -1.6308 -1.6308 -1.6266 -1.6266 1.6941 1.6941 1.6959 1.6959 Writing output data file SiO2.save init_run : 1.42s CPU 1.39s WALL ( 1 calls) electrons : 487.37s CPU 419.87s WALL ( 1 calls) Called by init_run: wfcinit : 0.03s CPU 0.04s WALL ( 1 calls) potinit : 0.18s CPU 0.63s WALL ( 1 calls) Called by electrons: c_bands : 487.36s CPU 419.86s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.38s CPU 0.21s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.39s CPU 0.44s WALL ( 209 calls) cegterg : 420.24s CPU 379.34s WALL ( 472 calls) Called by sum_band: Called by *egterg: h_psi : 276.73s CPU 219.30s WALL ( 8015 calls) s_psi : 16.86s CPU 14.07s WALL ( 8015 calls) g_psi : 0.45s CPU 0.43s WALL ( 7334 calls) cdiaghg : 128.79s CPU 125.85s WALL ( 7543 calls) cegterg:over : 18.92s CPU 18.55s WALL ( 7334 calls) cegterg:upda : 14.67s CPU 14.31s WALL ( 7334 calls) cegterg:last : 8.06s CPU 8.05s WALL ( 1099 calls) cdiaghg:chol : 5.34s CPU 5.50s WALL ( 7543 calls) cdiaghg:inve : 3.70s CPU 3.73s WALL ( 7543 calls) cdiaghg:para : 6.97s CPU 6.96s WALL ( 15086 calls) Called by h_psi: h_psi:vloc : 239.27s CPU 187.14s WALL ( 8015 calls) h_psi:vnl : 36.90s CPU 31.63s WALL ( 8015 calls) add_vuspsi : 19.01s CPU 15.83s WALL ( 8015 calls) General routines calbec : 17.82s CPU 15.78s WALL ( 8015 calls) fft : 0.08s CPU 0.04s WALL ( 19 calls) ffts : 0.06s CPU 0.03s WALL ( 4 calls) fftw : 229.17s CPU 178.08s WALL ( 955104 calls) interpolate : 0.06s CPU 0.03s WALL ( 4 calls) davcio : 0.34s CPU 1.30s WALL ( 418 calls) Parallel routines fft_scatter : 135.85s CPU 119.29s WALL ( 955127 calls) PWSCF : 8m50.55s CPU 9m10.47s WALL This run was terminated on: 17:25:47 28Mar2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=