Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 6:15:30 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 72 processors 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: ./HCO2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 52 30 8 4368 1899 279 Max 53 31 9 4380 1918 286 Sum 3745 2169 611 315025 137357 20285 bravais-lattice index = 14 lattice parameter (alat) = 12.4798 a.u. unit-cell volume = 3155.8124 (a.u.)^3 number of atoms/cell = 16 number of atomic types = 3 number of electrons = 68.00 number of Kohn-Sham states= 82 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.479750 celldm(2)= 0.926560 celldm(3)= 1.824803 celldm(4)= 0.278991 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 0.926560 0.000000 ) a(3) = ( 0.000000 0.509104 1.752347 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.079261 -0.313554 ) b(3) = ( 0.000000 0.000000 0.570663 ) 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 H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 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 1073 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 atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) H 1.00 1.00790 H( 1.00) C 4.00 12.01070 C( 1.00) 2 Sym. Ops., with inversion, found (note: 2 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 189 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0052910 k( 2) = ( 0.0000000 0.0000000 0.0203808), wk = 0.0052910 k( 3) = ( 0.0000000 0.0000000 0.0407617), wk = 0.0052910 k( 4) = ( 0.0000000 0.0000000 0.0611425), wk = 0.0052910 k( 5) = ( 0.0000000 0.0000000 0.0815233), wk = 0.0052910 k( 6) = ( 0.0000000 0.0000000 0.1019042), wk = 0.0052910 k( 7) = ( 0.0000000 0.0000000 0.1222850), wk = 0.0052910 k( 8) = ( 0.0000000 0.0000000 0.1426658), wk = 0.0052910 k( 9) = ( 0.0000000 0.0000000 0.1630466), wk = 0.0052910 k( 10) = ( 0.0000000 0.0000000 0.1834275), wk = 0.0052910 k( 11) = ( 0.0000000 0.0000000 0.2038083), wk = 0.0052910 k( 12) = ( 0.0000000 0.0000000 0.2241891), wk = 0.0052910 k( 13) = ( 0.0000000 0.0000000 0.2445700), wk = 0.0052910 k( 14) = ( 0.0000000 0.0000000 0.2649508), wk = 0.0052910 k( 15) = ( 0.0000000 0.0000000 0.2853316), wk = 0.0052910 k( 16) = ( 0.0000000 0.0000000 0.2853316), wk = 0.0052910 k( 17) = ( 0.0000000 0.0209284 0.2853316), wk = 0.0052910 k( 18) = ( 0.0000000 0.0418568 0.2853316), wk = 0.0052910 k( 19) = ( 0.0000000 0.0627853 0.2853316), wk = 0.0052910 k( 20) = ( 0.0000000 0.0837137 0.2853316), wk = 0.0052910 k( 21) = ( 0.0000000 0.1046421 0.2853316), wk = 0.0052910 k( 22) = ( 0.0000000 0.1255705 0.2853316), wk = 0.0052910 k( 23) = ( 0.0000000 0.1464990 0.2853316), wk = 0.0052910 k( 24) = ( 0.0000000 0.1674274 0.2853316), wk = 0.0052910 k( 25) = ( 0.0000000 0.1883558 0.2853316), wk = 0.0052910 k( 26) = ( 0.0000000 0.2092842 0.2853316), wk = 0.0052910 k( 27) = ( 0.0000000 0.2302126 0.2853316), wk = 0.0052910 k( 28) = ( 0.0000000 0.2511411 0.2853316), wk = 0.0052910 k( 29) = ( 0.0000000 0.2720695 0.2853316), wk = 0.0052910 k( 30) = ( 0.0000000 0.2929979 0.2853316), wk = 0.0052910 k( 31) = ( 0.0000000 0.3139263 0.2853316), wk = 0.0052910 k( 32) = ( 0.0000000 0.3348548 0.2853316), wk = 0.0052910 k( 33) = ( 0.0000000 0.3557832 0.2853316), wk = 0.0052910 k( 34) = ( 0.0000000 0.3767116 0.2853316), wk = 0.0052910 k( 35) = ( 0.0000000 0.3976400 0.2853316), wk = 0.0052910 k( 36) = ( 0.0000000 0.4185685 0.2853316), wk = 0.0052910 k( 37) = ( 0.0000000 0.4394969 0.2853316), wk = 0.0052910 k( 38) = ( 0.0000000 0.4604253 0.2853316), wk = 0.0052910 k( 39) = ( 0.0000000 0.4813537 0.2853316), wk = 0.0052910 k( 40) = ( 0.0000000 0.5022821 0.2853316), wk = 0.0052910 k( 41) = ( 0.0000000 0.5022821 0.2853316), wk = 0.0052910 k( 42) = ( 0.0000000 0.5069507 0.2657345), wk = 0.0052910 k( 43) = ( 0.0000000 0.5116193 0.2461373), wk = 0.0052910 k( 44) = ( 0.0000000 0.5162878 0.2265402), wk = 0.0052910 k( 45) = ( 0.0000000 0.5209564 0.2069430), wk = 0.0052910 k( 46) = ( 0.0000000 0.5256250 0.1873459), wk = 0.0052910 k( 47) = ( 0.0000000 0.5302935 0.1677487), wk = 0.0052910 k( 48) = ( 0.0000000 0.5349621 0.1481516), wk = 0.0052910 k( 49) = ( 0.0000000 0.5396307 0.1285544), wk = 0.0052910 k( 50) = ( 0.0000000 0.5396307 0.1285544), wk = 0.0052910 k( 51) = ( 0.0208333 0.5396307 0.1285544), wk = 0.0052910 k( 52) = ( 0.0416667 0.5396307 0.1285544), wk = 0.0052910 k( 53) = ( 0.0625000 0.5396307 0.1285544), wk = 0.0052910 k( 54) = ( 0.0833333 0.5396307 0.1285544), wk = 0.0052910 k( 55) = ( 0.1041667 0.5396307 0.1285544), wk = 0.0052910 k( 56) = ( 0.1250000 0.5396307 0.1285544), wk = 0.0052910 k( 57) = ( 0.1458333 0.5396307 0.1285544), wk = 0.0052910 k( 58) = ( 0.1666667 0.5396307 0.1285544), wk = 0.0052910 k( 59) = ( 0.1875000 0.5396307 0.1285544), wk = 0.0052910 k( 60) = ( 0.2083333 0.5396307 0.1285544), wk = 0.0052910 k( 61) = ( 0.2291667 0.5396307 0.1285544), wk = 0.0052910 k( 62) = ( 0.2500000 0.5396307 0.1285544), wk = 0.0052910 k( 63) = ( 0.2708333 0.5396307 0.1285544), wk = 0.0052910 k( 64) = ( 0.2916667 0.5396307 0.1285544), wk = 0.0052910 k( 65) = ( 0.3125000 0.5396307 0.1285544), wk = 0.0052910 k( 66) = ( 0.3333333 0.5396307 0.1285544), wk = 0.0052910 k( 67) = ( 0.3541667 0.5396307 0.1285544), wk = 0.0052910 k( 68) = ( 0.3750000 0.5396307 0.1285544), wk = 0.0052910 k( 69) = ( 0.3958333 0.5396307 0.1285544), wk = 0.0052910 k( 70) = ( 0.4166667 0.5396307 0.1285544), wk = 0.0052910 k( 71) = ( 0.4375000 0.5396307 0.1285544), wk = 0.0052910 k( 72) = ( 0.4583333 0.5396307 0.1285544), wk = 0.0052910 k( 73) = ( 0.4791667 0.5396307 0.1285544), wk = 0.0052910 k( 74) = ( 0.5000000 0.5396307 0.1285544), wk = 0.0052910 k( 75) = ( 0.5000000 0.5396307 0.1285544), wk = 0.0052910 k( 76) = ( 0.5000000 0.5442992 0.1089573), wk = 0.0052910 k( 77) = ( 0.5000000 0.5489678 0.0893601), wk = 0.0052910 k( 78) = ( 0.5000000 0.5536364 0.0697630), wk = 0.0052910 k( 79) = ( 0.5000000 0.5583049 0.0501658), wk = 0.0052910 k( 80) = ( 0.5000000 0.5629735 0.0305687), wk = 0.0052910 k( 81) = ( 0.5000000 0.5676420 0.0109715), wk = 0.0052910 k( 82) = ( 0.5000000 0.5723106 -0.0086256), wk = 0.0052910 k( 83) = ( 0.5000000 0.5769792 -0.0282228), wk = 0.0052910 k( 84) = ( 0.5000000 0.5769792 -0.0282228), wk = 0.0052910 k( 85) = ( 0.5000000 0.5716437 -0.0465877), wk = 0.0052910 k( 86) = ( 0.5000000 0.5663082 -0.0649526), wk = 0.0052910 k( 87) = ( 0.5000000 0.5609727 -0.0833175), wk = 0.0052910 k( 88) = ( 0.5000000 0.5556372 -0.1016824), wk = 0.0052910 k( 89) = ( 0.5000000 0.5503017 -0.1200474), wk = 0.0052910 k( 90) = ( 0.5000000 0.5449662 -0.1384123), wk = 0.0052910 k( 91) = ( 0.5000000 0.5396307 -0.1567772), wk = 0.0052910 k( 92) = ( 0.5000000 0.5396307 -0.1567772), wk = 0.0052910 k( 93) = ( 0.4791667 0.5396307 -0.1567772), wk = 0.0052910 k( 94) = ( 0.4583333 0.5396307 -0.1567772), wk = 0.0052910 k( 95) = ( 0.4375000 0.5396307 -0.1567772), wk = 0.0052910 k( 96) = ( 0.4166667 0.5396307 -0.1567772), wk = 0.0052910 k( 97) = ( 0.3958333 0.5396307 -0.1567772), wk = 0.0052910 k( 98) = ( 0.3750000 0.5396307 -0.1567772), wk = 0.0052910 k( 99) = ( 0.3541667 0.5396307 -0.1567772), wk = 0.0052910 k( 100) = ( 0.3333333 0.5396307 -0.1567772), wk = 0.0052910 k( 101) = ( 0.3125000 0.5396307 -0.1567772), wk = 0.0052910 k( 102) = ( 0.2916667 0.5396307 -0.1567772), wk = 0.0052910 k( 103) = ( 0.2708333 0.5396307 -0.1567772), wk = 0.0052910 k( 104) = ( 0.2500000 0.5396307 -0.1567772), wk = 0.0052910 k( 105) = ( 0.2291667 0.5396307 -0.1567772), wk = 0.0052910 k( 106) = ( 0.2083333 0.5396307 -0.1567772), wk = 0.0052910 k( 107) = ( 0.1875000 0.5396307 -0.1567772), wk = 0.0052910 k( 108) = ( 0.1666667 0.5396307 -0.1567772), wk = 0.0052910 k( 109) = ( 0.1458333 0.5396307 -0.1567772), wk = 0.0052910 k( 110) = ( 0.1250000 0.5396307 -0.1567772), wk = 0.0052910 k( 111) = ( 0.1041667 0.5396307 -0.1567772), wk = 0.0052910 k( 112) = ( 0.0833333 0.5396307 -0.1567772), wk = 0.0052910 k( 113) = ( 0.0625000 0.5396307 -0.1567772), wk = 0.0052910 k( 114) = ( 0.0416667 0.5396307 -0.1567772), wk = 0.0052910 k( 115) = ( 0.0208333 0.5396307 -0.1567772), wk = 0.0052910 k( 116) = ( 0.0000000 0.5396307 -0.1567772), wk = 0.0052910 k( 117) = ( 0.0000000 0.5396307 -0.1567772), wk = 0.0052910 k( 118) = ( 0.0000000 0.5449662 -0.1384123), wk = 0.0052910 k( 119) = ( 0.0000000 0.5503017 -0.1200474), wk = 0.0052910 k( 120) = ( 0.0000000 0.5556372 -0.1016824), wk = 0.0052910 k( 121) = ( 0.0000000 0.5609727 -0.0833175), wk = 0.0052910 k( 122) = ( 0.0000000 0.5663082 -0.0649526), wk = 0.0052910 k( 123) = ( 0.0000000 0.5716437 -0.0465877), wk = 0.0052910 k( 124) = ( 0.0000000 0.5769792 -0.0282228), wk = 0.0052910 k( 125) = ( 0.5000000 0.5022821 0.2853316), wk = 0.0052910 k( 126) = ( 0.5000000 0.4813537 0.2853316), wk = 0.0052910 k( 127) = ( 0.5000000 0.4604253 0.2853316), wk = 0.0052910 k( 128) = ( 0.5000000 0.4394969 0.2853316), wk = 0.0052910 k( 129) = ( 0.5000000 0.4185685 0.2853316), wk = 0.0052910 k( 130) = ( 0.5000000 0.3976400 0.2853316), wk = 0.0052910 k( 131) = ( 0.5000000 0.3767116 0.2853316), wk = 0.0052910 k( 132) = ( 0.5000000 0.3557832 0.2853316), wk = 0.0052910 k( 133) = ( 0.5000000 0.3348548 0.2853316), wk = 0.0052910 k( 134) = ( 0.5000000 0.3139263 0.2853316), wk = 0.0052910 k( 135) = ( 0.5000000 0.2929979 0.2853316), wk = 0.0052910 k( 136) = ( 0.5000000 0.2720695 0.2853316), wk = 0.0052910 k( 137) = ( 0.5000000 0.2511411 0.2853316), wk = 0.0052910 k( 138) = ( 0.5000000 0.2302126 0.2853316), wk = 0.0052910 k( 139) = ( 0.5000000 0.2092842 0.2853316), wk = 0.0052910 k( 140) = ( 0.5000000 0.1883558 0.2853316), wk = 0.0052910 k( 141) = ( 0.5000000 0.1674274 0.2853316), wk = 0.0052910 k( 142) = ( 0.5000000 0.1464990 0.2853316), wk = 0.0052910 k( 143) = ( 0.5000000 0.1255705 0.2853316), wk = 0.0052910 k( 144) = ( 0.5000000 0.1046421 0.2853316), wk = 0.0052910 k( 145) = ( 0.5000000 0.0837137 0.2853316), wk = 0.0052910 k( 146) = ( 0.5000000 0.0627853 0.2853316), wk = 0.0052910 k( 147) = ( 0.5000000 0.0418568 0.2853316), wk = 0.0052910 k( 148) = ( 0.5000000 0.0209284 0.2853316), wk = 0.0052910 k( 149) = ( 0.5000000 -0.0000000 0.2853316), wk = 0.0052910 k( 150) = ( 0.5000000 -0.0000000 0.2853316), wk = 0.0052910 k( 151) = ( 0.5000000 -0.0000000 0.2649508), wk = 0.0052910 k( 152) = ( 0.5000000 -0.0000000 0.2445700), wk = 0.0052910 k( 153) = ( 0.5000000 -0.0000000 0.2241891), wk = 0.0052910 k( 154) = ( 0.5000000 -0.0000000 0.2038083), wk = 0.0052910 k( 155) = ( 0.5000000 -0.0000000 0.1834275), wk = 0.0052910 k( 156) = ( 0.5000000 -0.0000000 0.1630466), wk = 0.0052910 k( 157) = ( 0.5000000 -0.0000000 0.1426658), wk = 0.0052910 k( 158) = ( 0.5000000 -0.0000000 0.1222850), wk = 0.0052910 k( 159) = ( 0.5000000 -0.0000000 0.1019042), wk = 0.0052910 k( 160) = ( 0.5000000 -0.0000000 0.0815233), wk = 0.0052910 k( 161) = ( 0.5000000 -0.0000000 0.0611425), wk = 0.0052910 k( 162) = ( 0.5000000 -0.0000000 0.0407617), wk = 0.0052910 k( 163) = ( 0.5000000 -0.0000000 0.0203808), wk = 0.0052910 k( 164) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0052910 k( 165) = ( 0.0000000 0.0000000 0.2853316), wk = 0.0052910 k( 166) = ( 0.0208333 -0.0000000 0.2853316), wk = 0.0052910 k( 167) = ( 0.0416667 -0.0000000 0.2853316), wk = 0.0052910 k( 168) = ( 0.0625000 -0.0000000 0.2853316), wk = 0.0052910 k( 169) = ( 0.0833333 -0.0000000 0.2853316), wk = 0.0052910 k( 170) = ( 0.1041667 -0.0000000 0.2853316), wk = 0.0052910 k( 171) = ( 0.1250000 -0.0000000 0.2853316), wk = 0.0052910 k( 172) = ( 0.1458333 -0.0000000 0.2853316), wk = 0.0052910 k( 173) = ( 0.1666667 -0.0000000 0.2853316), wk = 0.0052910 k( 174) = ( 0.1875000 -0.0000000 0.2853316), wk = 0.0052910 k( 175) = ( 0.2083333 -0.0000000 0.2853316), wk = 0.0052910 k( 176) = ( 0.2291667 -0.0000000 0.2853316), wk = 0.0052910 k( 177) = ( 0.2500000 -0.0000000 0.2853316), wk = 0.0052910 k( 178) = ( 0.2708333 -0.0000000 0.2853316), wk = 0.0052910 k( 179) = ( 0.2916667 -0.0000000 0.2853316), wk = 0.0052910 k( 180) = ( 0.3125000 -0.0000000 0.2853316), wk = 0.0052910 k( 181) = ( 0.3333333 -0.0000000 0.2853316), wk = 0.0052910 k( 182) = ( 0.3541667 -0.0000000 0.2853316), wk = 0.0052910 k( 183) = ( 0.3750000 -0.0000000 0.2853316), wk = 0.0052910 k( 184) = ( 0.3958333 -0.0000000 0.2853316), wk = 0.0052910 k( 185) = ( 0.4166667 -0.0000000 0.2853316), wk = 0.0052910 k( 186) = ( 0.4375000 -0.0000000 0.2853316), wk = 0.0052910 k( 187) = ( 0.4583333 -0.0000000 0.2853316), wk = 0.0052910 k( 188) = ( 0.4791667 -0.0000000 0.2853316), wk = 0.0052910 k( 189) = ( 0.5000000 -0.0000000 0.2853316), wk = 0.0052910 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0052910 k( 2) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0052910 k( 3) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0052910 k( 4) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0052910 k( 5) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0052910 k( 6) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0052910 k( 7) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0052910 k( 8) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0052910 k( 9) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0052910 k( 10) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0052910 k( 11) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0052910 k( 12) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0052910 k( 13) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0052910 k( 14) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0052910 k( 15) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0052910 k( 16) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0052910 k( 17) = ( 0.0000000 0.0193914 0.5106547), wk = 0.0052910 k( 18) = ( 0.0000000 0.0387829 0.5213095), wk = 0.0052910 k( 19) = ( 0.0000000 0.0581743 0.5319642), wk = 0.0052910 k( 20) = ( 0.0000000 0.0775657 0.5426190), wk = 0.0052910 k( 21) = ( 0.0000000 0.0969572 0.5532737), wk = 0.0052910 k( 22) = ( 0.0000000 0.1163486 0.5639284), wk = 0.0052910 k( 23) = ( 0.0000000 0.1357400 0.5745832), wk = 0.0052910 k( 24) = ( 0.0000000 0.1551315 0.5852379), wk = 0.0052910 k( 25) = ( 0.0000000 0.1745229 0.5958927), wk = 0.0052910 k( 26) = ( 0.0000000 0.1939143 0.6065474), wk = 0.0052910 k( 27) = ( 0.0000000 0.2133057 0.6172022), wk = 0.0052910 k( 28) = ( 0.0000000 0.2326972 0.6278569), wk = 0.0052910 k( 29) = ( 0.0000000 0.2520886 0.6385116), wk = 0.0052910 k( 30) = ( 0.0000000 0.2714800 0.6491664), wk = 0.0052910 k( 31) = ( 0.0000000 0.2908715 0.6598211), wk = 0.0052910 k( 32) = ( 0.0000000 0.3102629 0.6704758), wk = 0.0052910 k( 33) = ( 0.0000000 0.3296543 0.6811306), wk = 0.0052910 k( 34) = ( 0.0000000 0.3490458 0.6917853), wk = 0.0052910 k( 35) = ( 0.0000000 0.3684372 0.7024401), wk = 0.0052910 k( 36) = ( 0.0000000 0.3878286 0.7130948), wk = 0.0052910 k( 37) = ( 0.0000000 0.4072201 0.7237495), wk = 0.0052910 k( 38) = ( 0.0000000 0.4266115 0.7344043), wk = 0.0052910 k( 39) = ( 0.0000000 0.4460029 0.7450590), wk = 0.0052910 k( 40) = ( 0.0000000 0.4653944 0.7557138), wk = 0.0052910 k( 41) = ( 0.0000000 0.4653944 0.7557138), wk = 0.0052910 k( 42) = ( 0.0000000 0.4697201 0.7237495), wk = 0.0052910 k( 43) = ( 0.0000000 0.4740458 0.6917853), wk = 0.0052910 k( 44) = ( 0.0000000 0.4783715 0.6598211), wk = 0.0052910 k( 45) = ( 0.0000000 0.4826972 0.6278569), wk = 0.0052910 k( 46) = ( 0.0000000 0.4870229 0.5958927), wk = 0.0052910 k( 47) = ( 0.0000000 0.4913486 0.5639284), wk = 0.0052910 k( 48) = ( 0.0000000 0.4956743 0.5319642), wk = 0.0052910 k( 49) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0052910 k( 50) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0052910 k( 51) = ( 0.0208333 0.5000000 0.5000000), wk = 0.0052910 k( 52) = ( 0.0416667 0.5000000 0.5000000), wk = 0.0052910 k( 53) = ( 0.0625000 0.5000000 0.5000000), wk = 0.0052910 k( 54) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0052910 k( 55) = ( 0.1041667 0.5000000 0.5000000), wk = 0.0052910 k( 56) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0052910 k( 57) = ( 0.1458333 0.5000000 0.5000000), wk = 0.0052910 k( 58) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0052910 k( 59) = ( 0.1875000 0.5000000 0.5000000), wk = 0.0052910 k( 60) = ( 0.2083333 0.5000000 0.5000000), wk = 0.0052910 k( 61) = ( 0.2291667 0.5000000 0.5000000), wk = 0.0052910 k( 62) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0052910 k( 63) = ( 0.2708333 0.5000000 0.5000000), wk = 0.0052910 k( 64) = ( 0.2916667 0.5000000 0.5000000), wk = 0.0052910 k( 65) = ( 0.3125000 0.5000000 0.5000000), wk = 0.0052910 k( 66) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0052910 k( 67) = ( 0.3541667 0.5000000 0.5000000), wk = 0.0052910 k( 68) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0052910 k( 69) = ( 0.3958333 0.5000000 0.5000000), wk = 0.0052910 k( 70) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0052910 k( 71) = ( 0.4375000 0.5000000 0.5000000), wk = 0.0052910 k( 72) = ( 0.4583333 0.5000000 0.5000000), wk = 0.0052910 k( 73) = ( 0.4791667 0.5000000 0.5000000), wk = 0.0052910 k( 74) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0052910 k( 75) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0052910 k( 76) = ( 0.5000000 0.5043257 0.4680358), wk = 0.0052910 k( 77) = ( 0.5000000 0.5086514 0.4360716), wk = 0.0052910 k( 78) = ( 0.5000000 0.5129771 0.4041073), wk = 0.0052910 k( 79) = ( 0.5000000 0.5173028 0.3721431), wk = 0.0052910 k( 80) = ( 0.5000000 0.5216285 0.3401789), wk = 0.0052910 k( 81) = ( 0.5000000 0.5259542 0.3082147), wk = 0.0052910 k( 82) = ( 0.5000000 0.5302799 0.2762505), wk = 0.0052910 k( 83) = ( 0.5000000 0.5346056 0.2442862), wk = 0.0052910 k( 84) = ( 0.5000000 0.5346056 0.2442862), wk = 0.0052910 k( 85) = ( 0.5000000 0.5296620 0.2093882), wk = 0.0052910 k( 86) = ( 0.5000000 0.5247183 0.1744902), wk = 0.0052910 k( 87) = ( 0.5000000 0.5197746 0.1395921), wk = 0.0052910 k( 88) = ( 0.5000000 0.5148310 0.1046941), wk = 0.0052910 k( 89) = ( 0.5000000 0.5098873 0.0697961), wk = 0.0052910 k( 90) = ( 0.5000000 0.5049437 0.0348980), wk = 0.0052910 k( 91) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0052910 k( 92) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0052910 k( 93) = ( 0.4791667 0.5000000 0.0000000), wk = 0.0052910 k( 94) = ( 0.4583333 0.5000000 0.0000000), wk = 0.0052910 k( 95) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0052910 k( 96) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0052910 k( 97) = ( 0.3958333 0.5000000 -0.0000000), wk = 0.0052910 k( 98) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0052910 k( 99) = ( 0.3541667 0.5000000 -0.0000000), wk = 0.0052910 k( 100) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0052910 k( 101) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0052910 k( 102) = ( 0.2916667 0.5000000 -0.0000000), wk = 0.0052910 k( 103) = ( 0.2708333 0.5000000 -0.0000000), wk = 0.0052910 k( 104) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0052910 k( 105) = ( 0.2291667 0.5000000 -0.0000000), wk = 0.0052910 k( 106) = ( 0.2083333 0.5000000 -0.0000000), wk = 0.0052910 k( 107) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0052910 k( 108) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0052910 k( 109) = ( 0.1458333 0.5000000 -0.0000000), wk = 0.0052910 k( 110) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0052910 k( 111) = ( 0.1041667 0.5000000 -0.0000000), wk = 0.0052910 k( 112) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0052910 k( 113) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0052910 k( 114) = ( 0.0416667 0.5000000 -0.0000000), wk = 0.0052910 k( 115) = ( 0.0208333 0.5000000 -0.0000000), wk = 0.0052910 k( 116) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0052910 k( 117) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0052910 k( 118) = ( 0.0000000 0.5049437 0.0348980), wk = 0.0052910 k( 119) = ( 0.0000000 0.5098873 0.0697961), wk = 0.0052910 k( 120) = ( 0.0000000 0.5148310 0.1046941), wk = 0.0052910 k( 121) = ( 0.0000000 0.5197746 0.1395921), wk = 0.0052910 k( 122) = ( 0.0000000 0.5247183 0.1744902), wk = 0.0052910 k( 123) = ( 0.0000000 0.5296620 0.2093882), wk = 0.0052910 k( 124) = ( 0.0000000 0.5346056 0.2442862), wk = 0.0052910 k( 125) = ( 0.5000000 0.4653944 0.7557138), wk = 0.0052910 k( 126) = ( 0.5000000 0.4460029 0.7450590), wk = 0.0052910 k( 127) = ( 0.5000000 0.4266115 0.7344043), wk = 0.0052910 k( 128) = ( 0.5000000 0.4072201 0.7237495), wk = 0.0052910 k( 129) = ( 0.5000000 0.3878286 0.7130948), wk = 0.0052910 k( 130) = ( 0.5000000 0.3684372 0.7024401), wk = 0.0052910 k( 131) = ( 0.5000000 0.3490458 0.6917853), wk = 0.0052910 k( 132) = ( 0.5000000 0.3296543 0.6811306), wk = 0.0052910 k( 133) = ( 0.5000000 0.3102629 0.6704758), wk = 0.0052910 k( 134) = ( 0.5000000 0.2908715 0.6598211), wk = 0.0052910 k( 135) = ( 0.5000000 0.2714800 0.6491664), wk = 0.0052910 k( 136) = ( 0.5000000 0.2520886 0.6385116), wk = 0.0052910 k( 137) = ( 0.5000000 0.2326972 0.6278569), wk = 0.0052910 k( 138) = ( 0.5000000 0.2133057 0.6172022), wk = 0.0052910 k( 139) = ( 0.5000000 0.1939143 0.6065474), wk = 0.0052910 k( 140) = ( 0.5000000 0.1745229 0.5958927), wk = 0.0052910 k( 141) = ( 0.5000000 0.1551315 0.5852379), wk = 0.0052910 k( 142) = ( 0.5000000 0.1357400 0.5745832), wk = 0.0052910 k( 143) = ( 0.5000000 0.1163486 0.5639284), wk = 0.0052910 k( 144) = ( 0.5000000 0.0969572 0.5532737), wk = 0.0052910 k( 145) = ( 0.5000000 0.0775657 0.5426190), wk = 0.0052910 k( 146) = ( 0.5000000 0.0581743 0.5319642), wk = 0.0052910 k( 147) = ( 0.5000000 0.0387829 0.5213095), wk = 0.0052910 k( 148) = ( 0.5000000 0.0193914 0.5106547), wk = 0.0052910 k( 149) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0052910 k( 150) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0052910 k( 151) = ( 0.5000000 0.0000000 0.4642857), wk = 0.0052910 k( 152) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0052910 k( 153) = ( 0.5000000 0.0000000 0.3928571), wk = 0.0052910 k( 154) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0052910 k( 155) = ( 0.5000000 0.0000000 0.3214286), wk = 0.0052910 k( 156) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0052910 k( 157) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0052910 k( 158) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0052910 k( 159) = ( 0.5000000 0.0000000 0.1785714), wk = 0.0052910 k( 160) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0052910 k( 161) = ( 0.5000000 0.0000000 0.1071429), wk = 0.0052910 k( 162) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0052910 k( 163) = ( 0.5000000 0.0000000 0.0357143), wk = 0.0052910 k( 164) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0052910 k( 165) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0052910 k( 166) = ( 0.0208333 0.0000000 0.5000000), wk = 0.0052910 k( 167) = ( 0.0416667 -0.0000000 0.5000000), wk = 0.0052910 k( 168) = ( 0.0625000 0.0000000 0.5000000), wk = 0.0052910 k( 169) = ( 0.0833333 -0.0000000 0.5000000), wk = 0.0052910 k( 170) = ( 0.1041667 0.0000000 0.5000000), wk = 0.0052910 k( 171) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0052910 k( 172) = ( 0.1458333 0.0000000 0.5000000), wk = 0.0052910 k( 173) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0052910 k( 174) = ( 0.1875000 -0.0000000 0.5000000), wk = 0.0052910 k( 175) = ( 0.2083333 0.0000000 0.5000000), wk = 0.0052910 k( 176) = ( 0.2291667 0.0000000 0.5000000), wk = 0.0052910 k( 177) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0052910 k( 178) = ( 0.2708333 -0.0000000 0.5000000), wk = 0.0052910 k( 179) = ( 0.2916667 -0.0000000 0.5000000), wk = 0.0052910 k( 180) = ( 0.3125000 0.0000000 0.5000000), wk = 0.0052910 k( 181) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0052910 k( 182) = ( 0.3541667 0.0000000 0.5000000), wk = 0.0052910 k( 183) = ( 0.3750000 -0.0000000 0.5000000), wk = 0.0052910 k( 184) = ( 0.3958333 0.0000000 0.5000000), wk = 0.0052910 k( 185) = ( 0.4166667 -0.0000000 0.5000000), wk = 0.0052910 k( 186) = ( 0.4375000 0.0000000 0.5000000), wk = 0.0052910 k( 187) = ( 0.4583333 -0.0000000 0.5000000), wk = 0.0052910 k( 188) = ( 0.4791667 0.0000000 0.5000000), wk = 0.0052910 k( 189) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0052910 Dense grid: 315025 G-vectors FFT dimensions: ( 72, 72, 135) Smooth grid: 137357 G-vectors FFT dimensions: ( 60, 54, 100) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.62 Mb ( 494, 82) NL pseudopotentials 0.66 Mb ( 247, 176) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.03 Mb ( 4376) G-vector shells 0.03 Mb ( 4263) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.47 Mb ( 494, 328) Each subspace H/S matrix 0.04 Mb ( 54, 54) Each matrix 0.44 Mb ( 176, 2, 82) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./HCO2.save/charge-density.dat Starting wfc are 104 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 7.6 secs Computing kpt #: 2 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 13.3 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 19.0 secs Computing kpt #: 4 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 24.7 secs Computing kpt #: 5 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 30.6 secs Computing kpt #: 6 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 36.4 secs Computing kpt #: 7 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 42.4 secs Computing kpt #: 8 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 48.3 secs Computing kpt #: 9 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 54.3 secs Computing kpt #: 10 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 59.9 secs Computing kpt #: 11 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 65.6 secs Computing kpt #: 12 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 71.0 secs Computing kpt #: 13 total cpu time spent up to now is 74.8 secs Computing kpt #: 14 total cpu time spent up to now is 77.3 secs Computing kpt #: 15 total cpu time spent up to now is 79.6 secs Computing kpt #: 16 total cpu time spent up to now is 81.9 secs Computing kpt #: 17 total cpu time spent up to now is 84.3 secs Computing kpt #: 18 total cpu time spent up to now is 86.8 secs Computing kpt #: 19 total cpu time spent up to now is 89.1 secs Computing kpt #: 20 total cpu time spent up to now is 92.8 secs Computing kpt #: 21 total cpu time spent up to now is 96.2 secs Computing kpt #: 22 total cpu time spent up to now is 99.8 secs Computing kpt #: 23 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 105.5 secs Computing kpt #: 24 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 111.3 secs Computing kpt #: 25 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 117.3 secs Computing kpt #: 26 total cpu time spent up to now is 119.8 secs Computing kpt #: 27 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 125.2 secs Computing kpt #: 28 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 130.9 secs Computing kpt #: 29 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 136.5 secs Computing kpt #: 30 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 142.1 secs Computing kpt #: 31 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 147.9 secs Computing kpt #: 32 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 154.1 secs Computing kpt #: 33 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 159.9 secs Computing kpt #: 34 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 165.4 secs Computing kpt #: 35 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 171.4 secs Computing kpt #: 36 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 177.0 secs Computing kpt #: 37 total cpu time spent up to now is 180.9 secs Computing kpt #: 38 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 186.6 secs Computing kpt #: 39 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 192.4 secs Computing kpt #: 40 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 197.9 secs Computing kpt #: 41 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 203.4 secs Computing kpt #: 42 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 208.9 secs Computing kpt #: 43 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 214.9 secs Computing kpt #: 44 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 221.1 secs Computing kpt #: 45 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 226.5 secs Computing kpt #: 46 total cpu time spent up to now is 230.0 secs Computing kpt #: 47 total cpu time spent up to now is 232.4 secs Computing kpt #: 48 total cpu time spent up to now is 234.8 secs Computing kpt #: 49 total cpu time spent up to now is 237.2 secs Computing kpt #: 50 total cpu time spent up to now is 239.6 secs Computing kpt #: 51 total cpu time spent up to now is 242.0 secs Computing kpt #: 52 total cpu time spent up to now is 244.3 secs Computing kpt #: 53 total cpu time spent up to now is 246.8 secs Computing kpt #: 54 total cpu time spent up to now is 249.4 secs Computing kpt #: 55 total cpu time spent up to now is 251.8 secs Computing kpt #: 56 total cpu time spent up to now is 254.2 secs Computing kpt #: 57 total cpu time spent up to now is 256.6 secs Computing kpt #: 58 total cpu time spent up to now is 259.1 secs Computing kpt #: 59 total cpu time spent up to now is 261.5 secs Computing kpt #: 60 total cpu time spent up to now is 263.9 secs Computing kpt #: 61 total cpu time spent up to now is 266.4 secs Computing kpt #: 62 total cpu time spent up to now is 269.2 secs Computing kpt #: 63 total cpu time spent up to now is 271.7 secs Computing kpt #: 64 total cpu time spent up to now is 274.1 secs Computing kpt #: 65 total cpu time spent up to now is 276.2 secs Computing kpt #: 66 total cpu time spent up to now is 278.6 secs Computing kpt #: 67 total cpu time spent up to now is 280.7 secs Computing kpt #: 68 total cpu time spent up to now is 283.1 secs Computing kpt #: 69 total cpu time spent up to now is 285.5 secs Computing kpt #: 70 total cpu time spent up to now is 287.7 secs Computing kpt #: 71 total cpu time spent up to now is 290.1 secs Computing kpt #: 72 total cpu time spent up to now is 292.0 secs Computing kpt #: 73 total cpu time spent up to now is 294.1 secs Computing kpt #: 74 total cpu time spent up to now is 296.3 secs Computing kpt #: 75 total cpu time spent up to now is 298.5 secs Computing kpt #: 76 total cpu time spent up to now is 300.7 secs Computing kpt #: 77 total cpu time spent up to now is 302.8 secs Computing kpt #: 78 total cpu time spent up to now is 304.8 secs Computing kpt #: 79 total cpu time spent up to now is 306.7 secs Computing kpt #: 80 total cpu time spent up to now is 308.7 secs Computing kpt #: 81 total cpu time spent up to now is 310.8 secs Computing kpt #: 82 total cpu time spent up to now is 312.8 secs Computing kpt #: 83 total cpu time spent up to now is 314.9 secs Computing kpt #: 84 total cpu time spent up to now is 316.9 secs Computing kpt #: 85 total cpu time spent up to now is 319.0 secs Computing kpt #: 86 total cpu time spent up to now is 321.0 secs Computing kpt #: 87 total cpu time spent up to now is 323.2 secs Computing kpt #: 88 total cpu time spent up to now is 325.3 secs Computing kpt #: 89 total cpu time spent up to now is 327.4 secs Computing kpt #: 90 total cpu time spent up to now is 329.4 secs Computing kpt #: 91 total cpu time spent up to now is 331.4 secs Computing kpt #: 92 total cpu time spent up to now is 333.5 secs Computing kpt #: 93 total cpu time spent up to now is 335.5 secs Computing kpt #: 94 total cpu time spent up to now is 337.5 secs Computing kpt #: 95 total cpu time spent up to now is 339.6 secs Computing kpt #: 96 total cpu time spent up to now is 342.0 secs Computing kpt #: 97 total cpu time spent up to now is 344.3 secs Computing kpt #: 98 total cpu time spent up to now is 346.7 secs Computing kpt #: 99 total cpu time spent up to now is 349.2 secs Computing kpt #: 100 total cpu time spent up to now is 351.6 secs Computing kpt #: 101 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 357.2 secs Computing kpt #: 102 total cpu time spent up to now is 359.6 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 365.6 secs Computing kpt #: 104 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 371.2 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 377.2 secs Computing kpt #: 106 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 383.1 secs Computing kpt #: 107 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 388.7 secs Computing kpt #: 108 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 394.6 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 400.3 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 406.2 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 412.1 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 418.0 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 423.7 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 429.5 secs Computing kpt #: 115 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 434.8 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 440.7 secs Computing kpt #: 117 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 446.4 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 452.1 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 457.8 secs Computing kpt #: 120 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 463.5 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 469.2 secs Computing kpt #: 122 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 474.7 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 480.6 secs Computing kpt #: 124 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 485.9 secs Computing kpt #: 125 total cpu time spent up to now is 487.8 secs Computing kpt #: 126 total cpu time spent up to now is 489.7 secs Computing kpt #: 127 total cpu time spent up to now is 491.7 secs Computing kpt #: 128 total cpu time spent up to now is 493.7 secs Computing kpt #: 129 total cpu time spent up to now is 495.7 secs Computing kpt #: 130 total cpu time spent up to now is 498.0 secs Computing kpt #: 131 total cpu time spent up to now is 500.3 secs Computing kpt #: 132 total cpu time spent up to now is 502.4 secs Computing kpt #: 133 total cpu time spent up to now is 504.6 secs Computing kpt #: 134 total cpu time spent up to now is 506.8 secs Computing kpt #: 135 total cpu time spent up to now is 509.0 secs Computing kpt #: 136 total cpu time spent up to now is 511.3 secs Computing kpt #: 137 total cpu time spent up to now is 513.7 secs Computing kpt #: 138 total cpu time spent up to now is 516.1 secs Computing kpt #: 139 total cpu time spent up to now is 518.5 secs Computing kpt #: 140 total cpu time spent up to now is 521.1 secs Computing kpt #: 141 total cpu time spent up to now is 523.4 secs Computing kpt #: 142 total cpu time spent up to now is 525.7 secs Computing kpt #: 143 total cpu time spent up to now is 528.2 secs Computing kpt #: 144 total cpu time spent up to now is 530.7 secs Computing kpt #: 145 total cpu time spent up to now is 533.2 secs Computing kpt #: 146 total cpu time spent up to now is 535.5 secs Computing kpt #: 147 total cpu time spent up to now is 537.8 secs Computing kpt #: 148 total cpu time spent up to now is 540.2 secs Computing kpt #: 149 total cpu time spent up to now is 542.5 secs Computing kpt #: 150 total cpu time spent up to now is 544.8 secs Computing kpt #: 151 total cpu time spent up to now is 547.3 secs Computing kpt #: 152 total cpu time spent up to now is 549.7 secs Computing kpt #: 153 total cpu time spent up to now is 552.2 secs Computing kpt #: 154 total cpu time spent up to now is 554.5 secs Computing kpt #: 155 total cpu time spent up to now is 556.9 secs Computing kpt #: 156 total cpu time spent up to now is 559.5 secs Computing kpt #: 157 total cpu time spent up to now is 561.9 secs Computing kpt #: 158 total cpu time spent up to now is 564.2 secs Computing kpt #: 159 total cpu time spent up to now is 566.7 secs Computing kpt #: 160 total cpu time spent up to now is 569.3 secs Computing kpt #: 161 total cpu time spent up to now is 571.6 secs Computing kpt #: 162 total cpu time spent up to now is 574.0 secs Computing kpt #: 163 total cpu time spent up to now is 576.4 secs Computing kpt #: 164 total cpu time spent up to now is 578.8 secs Computing kpt #: 165 total cpu time spent up to now is 581.1 secs Computing kpt #: 166 total cpu time spent up to now is 583.7 secs Computing kpt #: 167 total cpu time spent up to now is 586.0 secs Computing kpt #: 168 total cpu time spent up to now is 588.5 secs Computing kpt #: 169 total cpu time spent up to now is 590.7 secs Computing kpt #: 170 total cpu time spent up to now is 593.1 secs Computing kpt #: 171 total cpu time spent up to now is 595.6 secs Computing kpt #: 172 total cpu time spent up to now is 598.3 secs Computing kpt #: 173 total cpu time spent up to now is 600.8 secs Computing kpt #: 174 total cpu time spent up to now is 603.2 secs Computing kpt #: 175 total cpu time spent up to now is 605.6 secs Computing kpt #: 176 total cpu time spent up to now is 607.9 secs Computing kpt #: 177 total cpu time spent up to now is 610.2 secs Computing kpt #: 178 total cpu time spent up to now is 612.5 secs Computing kpt #: 179 total cpu time spent up to now is 614.8 secs Computing kpt #: 180 total cpu time spent up to now is 617.2 secs Computing kpt #: 181 total cpu time spent up to now is 619.6 secs Computing kpt #: 182 total cpu time spent up to now is 622.1 secs Computing kpt #: 183 total cpu time spent up to now is 624.6 secs Computing kpt #: 184 total cpu time spent up to now is 627.1 secs Computing kpt #: 185 total cpu time spent up to now is 629.4 secs Computing kpt #: 186 total cpu time spent up to now is 631.8 secs Computing kpt #: 187 total cpu time spent up to now is 634.0 secs Computing kpt #: 188 total cpu time spent up to now is 636.1 secs Computing kpt #: 189 total cpu time spent up to now is 638.6 secs ethr = 1.47E-08, avg # of iterations = 52.3 total cpu time spent up to now is 638.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 17203 PWs) bands (ev): -23.7855 -23.7855 -23.7813 -23.7813 -23.0417 -23.0417 -23.0365 -23.0365 -21.8537 -21.8537 -21.8511 -21.8511 -21.5460 -21.5460 -21.5421 -21.5421 -14.3715 -14.3715 -14.3552 -14.3552 -10.9320 -10.9320 -10.9166 -10.9166 -9.3915 -9.3915 -9.3879 -9.3879 -9.3097 -9.3097 -9.2883 -9.2883 -8.5318 -8.5318 -8.4786 -8.4786 -8.3886 -8.3886 -8.3724 -8.3724 -7.0358 -7.0358 -7.0036 -7.0036 -5.8570 -5.8570 -5.8359 -5.8359 -5.6581 -5.6581 -5.5998 -5.5998 -5.5882 -5.5882 -5.5029 -5.5029 -5.2792 -5.2792 -5.2554 -5.2554 -5.0106 -5.0106 -4.7779 -4.7779 -4.7484 -4.7484 -4.6682 -4.6682 -4.6318 -4.6318 -4.5079 -4.5079 -4.3746 -4.3746 -4.3711 -4.3711 -1.9740 -1.9740 -1.9561 -1.9561 0.6203 0.6236 k = 0.0000 0.0000 0.0204 ( 17204 PWs) bands (ev): -23.7855 -23.7855 -23.7813 -23.7813 -23.0417 -23.0417 -23.0365 -23.0365 -21.8537 -21.8537 -21.8511 -21.8511 -21.5460 -21.5460 -21.5421 -21.5421 -14.3715 -14.3715 -14.3552 -14.3552 -10.9319 -10.9319 -10.9167 -10.9167 -9.3915 -9.3915 -9.3879 -9.3879 -9.3097 -9.3097 -9.2883 -9.2883 -8.5317 -8.5317 -8.4787 -8.4787 -8.3885 -8.3885 -8.3725 -8.3725 -7.0357 -7.0357 -7.0037 -7.0037 -5.8570 -5.8570 -5.8359 -5.8359 -5.6581 -5.6581 -5.5999 -5.5999 -5.5878 -5.5878 -5.5034 -5.5034 -5.2794 -5.2794 -5.2556 -5.2556 -5.0093 -5.0093 -4.7778 -4.7778 -4.7485 -4.7485 -4.6697 -4.6697 -4.6311 -4.6311 -4.5084 -4.5084 -4.3743 -4.3743 -4.3708 -4.3708 -1.9740 -1.9740 -1.9562 -1.9562 0.6201 0.6213 k = 0.0000 0.0000 0.0408 ( 17200 PWs) bands (ev): -23.7855 -23.7855 -23.7813 -23.7813 -23.0416 -23.0416 -23.0366 -23.0366 -21.8537 -21.8537 -21.8511 -21.8511 -21.5459 -21.5459 -21.5422 -21.5422 -14.3713 -14.3713 -14.3554 -14.3554 -10.9318 -10.9318 -10.9168 -10.9168 -9.3915 -9.3915 -9.3879 -9.3879 -9.3095 -9.3095 -9.2886 -9.2886 -8.5312 -8.5312 -8.4792 -8.4792 -8.3884 -8.3884 -8.3726 -8.3726 -7.0354 -7.0354 -7.0040 -7.0040 -5.8568 -5.8568 -5.8361 -5.8361 -5.6579 -5.6579 -5.6002 -5.6002 -5.5867 -5.5867 -5.5048 -5.5048 -5.2798 -5.2798 -5.2564 -5.2564 -5.0056 -5.0056 -4.7773 -4.7773 -4.7486 -4.7486 -4.6739 -4.6739 -4.6293 -4.6293 -4.5101 -4.5101 -4.3733 -4.3733 -4.3700 -4.3700 -1.9739 -1.9739 -1.9564 -1.9564 0.6207 0.6216 k = 0.0000 0.0000 0.0611 ( 17198 PWs) bands (ev): -23.7854 -23.7854 -23.7814 -23.7814 -23.0416 -23.0416 -23.0366 -23.0366 -21.8536 -21.8536 -21.8511 -21.8511 -21.5459 -21.5459 -21.5422 -21.5422 -14.3711 -14.3711 -14.3556 -14.3556 -10.9315 -10.9315 -10.9171 -10.9171 -9.3914 -9.3914 -9.3880 -9.3880 -9.3091 -9.3091 -9.2889 -9.2889 -8.5303 -8.5303 -8.4801 -8.4801 -8.3881 -8.3881 -8.3729 -8.3729 -7.0349 -7.0349 -7.0045 -7.0045 -5.8565 -5.8565 -5.8364 -5.8364 -5.6577 -5.6577 -5.6007 -5.6007 -5.5849 -5.5849 -5.5070 -5.5070 -5.2804 -5.2804 -5.2576 -5.2576 -4.9995 -4.9995 -4.7765 -4.7765 -4.7489 -4.7489 -4.6804 -4.6804 -4.6268 -4.6268 -4.5127 -4.5127 -4.3719 -4.3719 -4.3688 -4.3688 -1.9737 -1.9737 -1.9568 -1.9568 0.6204 0.6207 k = 0.0000 0.0000 0.0815 ( 17203 PWs) bands (ev): -23.7853 -23.7853 -23.7815 -23.7815 -23.0415 -23.0415 -23.0367 -23.0367 -21.8536 -21.8536 -21.8512 -21.8512 -21.5458 -21.5458 -21.5423 -21.5423 -14.3707 -14.3707 -14.3560 -14.3560 -10.9312 -10.9312 -10.9174 -10.9174 -9.3914 -9.3914 -9.3881 -9.3881 -9.3087 -9.3087 -9.2894 -9.2894 -8.5292 -8.5292 -8.4812 -8.4812 -8.3878 -8.3878 -8.3732 -8.3732 -7.0342 -7.0342 -7.0052 -7.0052 -5.8561 -5.8561 -5.8369 -5.8369 -5.6572 -5.6572 -5.6016 -5.6016 -5.5826 -5.5826 -5.5099 -5.5099 -5.2812 -5.2812 -5.2593 -5.2593 -4.9913 -4.9913 -4.7754 -4.7754 -4.7492 -4.7492 -4.6888 -4.6888 -4.6237 -4.6237 -4.5163 -4.5163 -4.3701 -4.3701 -4.3672 -4.3672 -1.9734 -1.9734 -1.9573 -1.9573 0.6211 0.6224 k = 0.0000 0.0000 0.1019 ( 17201 PWs) bands (ev): -23.7852 -23.7852 -23.7816 -23.7816 -23.0413 -23.0413 -23.0369 -23.0369 -21.8535 -21.8535 -21.8513 -21.8513 -21.5457 -21.5457 -21.5424 -21.5424 -14.3703 -14.3703 -14.3564 -14.3564 -10.9308 -10.9308 -10.9178 -10.9178 -9.3913 -9.3913 -9.3882 -9.3882 -9.3081 -9.3081 -9.2900 -9.2900 -8.5277 -8.5277 -8.4826 -8.4826 -8.3873 -8.3873 -8.3737 -8.3737 -7.0333 -7.0333 -7.0060 -7.0060 -5.8556 -5.8556 -5.8375 -5.8375 -5.6565 -5.6565 -5.6027 -5.6027 -5.5797 -5.5797 -5.5133 -5.5133 -5.2821 -5.2821 -5.2613 -5.2613 -4.9811 -4.9811 -4.7740 -4.7740 -4.7497 -4.7497 -4.6988 -4.6988 -4.6203 -4.6203 -4.5207 -4.5207 -4.3679 -4.3679 -4.3653 -4.3653 -1.9731 -1.9731 -1.9580 -1.9580 0.6215 0.6217 k = 0.0000 0.0000 0.1223 ( 17191 PWs) bands (ev): -23.7851 -23.7851 -23.7817 -23.7817 -23.0412 -23.0412 -23.0370 -23.0370 -21.8534 -21.8534 -21.8513 -21.8513 -21.5456 -21.5456 -21.5426 -21.5426 -14.3698 -14.3698 -14.3570 -14.3570 -10.9303 -10.9303 -10.9183 -10.9183 -9.3912 -9.3912 -9.3883 -9.3883 -9.3075 -9.3075 -9.2907 -9.2907 -8.5260 -8.5260 -8.4843 -8.4843 -8.3868 -8.3868 -8.3742 -8.3742 -7.0323 -7.0323 -7.0071 -7.0071 -5.8550 -5.8550 -5.8381 -5.8381 -5.6554 -5.6554 -5.6043 -5.6043 -5.5765 -5.5765 -5.5171 -5.5171 -5.2830 -5.2830 -5.2636 -5.2636 -4.9691 -4.9691 -4.7725 -4.7725 -4.7503 -4.7503 -4.7103 -4.7103 -4.6166 -4.6166 -4.5257 -4.5257 -4.3656 -4.3656 -4.3632 -4.3632 -1.9727 -1.9727 -1.9587 -1.9587 0.6232 0.6311 k = 0.0000 0.0000 0.1427 ( 17202 PWs) bands (ev): -23.7849 -23.7849 -23.7819 -23.7819 -23.0410 -23.0410 -23.0372 -23.0372 -21.8533 -21.8533 -21.8515 -21.8515 -21.5454 -21.5454 -21.5427 -21.5427 -14.3692 -14.3692 -14.3576 -14.3576 -10.9297 -10.9297 -10.9189 -10.9189 -9.3911 -9.3911 -9.3884 -9.3884 -9.3067 -9.3067 -9.2915 -9.2915 -8.5240 -8.5240 -8.4863 -8.4863 -8.3862 -8.3862 -8.3748 -8.3748 -7.0311 -7.0311 -7.0083 -7.0083 -5.8543 -5.8543 -5.8390 -5.8390 -5.6539 -5.6539 -5.6063 -5.6063 -5.5730 -5.5730 -5.5211 -5.5211 -5.2838 -5.2838 -5.2661 -5.2661 -4.9556 -4.9556 -4.7709 -4.7709 -4.7510 -4.7510 -4.7230 -4.7230 -4.6126 -4.6126 -4.5312 -4.5312 -4.3633 -4.3633 -4.3611 -4.3611 -1.9723 -1.9723 -1.9596 -1.9596 0.6229 0.6241 k = 0.0000 0.0000 0.1630 ( 17201 PWs) bands (ev): -23.7848 -23.7848 -23.7820 -23.7820 -23.0408 -23.0408 -23.0374 -23.0374 -21.8532 -21.8532 -21.8516 -21.8516 -21.5453 -21.5453 -21.5429 -21.5429 -14.3685 -14.3685 -14.3583 -14.3583 -10.9291 -10.9291 -10.9195 -10.9195 -9.3909 -9.3909 -9.3886 -9.3886 -9.3058 -9.3058 -9.2925 -9.2925 -8.5217 -8.5217 -8.4885 -8.4885 -8.3855 -8.3855 -8.3755 -8.3755 -7.0298 -7.0298 -7.0097 -7.0097 -5.8535 -5.8535 -5.8399 -5.8399 -5.6520 -5.6520 -5.6089 -5.6089 -5.5693 -5.5693 -5.5251 -5.5251 -5.2845 -5.2845 -5.2688 -5.2688 -4.9408 -4.9408 -4.7691 -4.7691 -4.7522 -4.7522 -4.7365 -4.7365 -4.6082 -4.6082 -4.5371 -4.5371 -4.3610 -4.3610 -4.3591 -4.3591 -1.9717 -1.9717 -1.9606 -1.9606 0.6235 0.6239 k = 0.0000 0.0000 0.1834 ( 17188 PWs) bands (ev): -23.7846 -23.7846 -23.7822 -23.7822 -23.0405 -23.0405 -23.0376 -23.0376 -21.8531 -21.8531 -21.8517 -21.8517 -21.5451 -21.5451 -21.5430 -21.5430 -14.3677 -14.3677 -14.3590 -14.3590 -10.9284 -10.9284 -10.9202 -10.9202 -9.3908 -9.3908 -9.3888 -9.3888 -9.3049 -9.3049 -9.2935 -9.2935 -8.5193 -8.5193 -8.4909 -8.4909 -8.3848 -8.3848 -8.3762 -8.3762 -7.0283 -7.0283 -7.0111 -7.0111 -5.8526 -5.8526 -5.8409 -5.8409 -5.6496 -5.6496 -5.6119 -5.6119 -5.5655 -5.5655 -5.5290 -5.5290 -5.2850 -5.2850 -5.2714 -5.2714 -4.9250 -4.9250 -4.7675 -4.7675 -4.7558 -4.7558 -4.7486 -4.7486 -4.6035 -4.6035 -4.5433 -4.5433 -4.3588 -4.3588 -4.3573 -4.3573 -1.9711 -1.9711 -1.9616 -1.9616 0.6250 0.6262 k = 0.0000 0.0000 0.2038 ( 17200 PWs) bands (ev): -23.7844 -23.7844 -23.7824 -23.7824 -23.0403 -23.0403 -23.0379 -23.0379 -21.8530 -21.8530 -21.8518 -21.8518 -21.5449 -21.5449 -21.5432 -21.5432 -14.3669 -14.3669 -14.3598 -14.3598 -10.9276 -10.9276 -10.9209 -10.9209 -9.3906 -9.3906 -9.3889 -9.3889 -9.3038 -9.3038 -9.2945 -9.2945 -8.5166 -8.5166 -8.4935 -8.4935 -8.3840 -8.3840 -8.3770 -8.3770 -7.0267 -7.0267 -7.0127 -7.0127 -5.8516 -5.8516 -5.8420 -5.8420 -5.6468 -5.6468 -5.6153 -5.6153 -5.5617 -5.5617 -5.5329 -5.5329 -5.2852 -5.2852 -5.2741 -5.2741 -4.9084 -4.9084 -4.7703 -4.7703 -4.7643 -4.7643 -4.7523 -4.7523 -4.5985 -4.5985 -4.5497 -4.5497 -4.3570 -4.3570 -4.3557 -4.3557 -1.9704 -1.9704 -1.9626 -1.9626 0.6250 0.6255 k = 0.0000 0.0000 0.2242 ( 17203 PWs) bands (ev): -23.7842 -23.7842 -23.7826 -23.7826 -23.0401 -23.0401 -23.0381 -23.0381 -21.8528 -21.8528 -21.8520 -21.8520 -21.5447 -21.5447 -21.5434 -21.5434 -14.3661 -14.3661 -14.3607 -14.3607 -10.9268 -10.9268 -10.9217 -10.9217 -9.3904 -9.3904 -9.3891 -9.3891 -9.3027 -9.3027 -9.2957 -9.2957 -8.5139 -8.5139 -8.4963 -8.4963 -8.3831 -8.3831 -8.3778 -8.3778 -7.0250 -7.0250 -7.0144 -7.0144 -5.8505 -5.8505 -5.8432 -5.8432 -5.6435 -5.6435 -5.6192 -5.6192 -5.5580 -5.5580 -5.5366 -5.5366 -5.2850 -5.2850 -5.2765 -5.2765 -4.8912 -4.8912 -4.7857 -4.7857 -4.7632 -4.7632 -4.7539 -4.7539 -4.5932 -4.5932 -4.5562 -4.5562 -4.3554 -4.3554 -4.3544 -4.3544 -1.9696 -1.9696 -1.9637 -1.9637 0.6256 0.6268 k = 0.0000 0.0000 0.2446 ( 17189 PWs) bands (ev): -23.7840 -23.7840 -23.7828 -23.7828 -23.0398 -23.0398 -23.0383 -23.0383 -21.8527 -21.8527 -21.8521 -21.8521 -21.5445 -21.5445 -21.5436 -21.5436 -14.3652 -14.3652 -14.3615 -14.3615 -10.9260 -10.9260 -10.9226 -10.9226 -9.3902 -9.3902 -9.3893 -9.3893 -9.3016 -9.3016 -9.2968 -9.2968 -8.5110 -8.5110 -8.4991 -8.4991 -8.3823 -8.3823 -8.3787 -8.3787 -7.0233 -7.0233 -7.0161 -7.0161 -5.8494 -5.8494 -5.8444 -5.8444 -5.6399 -5.6399 -5.6233 -5.6233 -5.5543 -5.5543 -5.5401 -5.5401 -5.2845 -5.2845 -5.2788 -5.2788 -4.8736 -4.8736 -4.8026 -4.8026 -4.7615 -4.7615 -4.7552 -4.7552 -4.5875 -4.5875 -4.5627 -4.5627 -4.3542 -4.3542 -4.3535 -4.3535 -1.9688 -1.9688 -1.9647 -1.9647 0.6267 0.6283 k = 0.0000 0.0000 0.2650 ( 17197 PWs) bands (ev): -23.7839 -23.7839 -23.7829 -23.7829 -23.0397 -23.0397 -23.0385 -23.0385 -21.8526 -21.8526 -21.8522 -21.8522 -21.5443 -21.5443 -21.5438 -21.5438 -14.3644 -14.3644 -14.3624 -14.3624 -10.9252 -10.9252 -10.9234 -10.9234 -9.3901 -9.3901 -9.3895 -9.3895 -9.3004 -9.3004 -9.2980 -9.2980 -8.5080 -8.5080 -8.5021 -8.5021 -8.3814 -8.3814 -8.3795 -8.3795 -7.0216 -7.0216 -7.0179 -7.0179 -5.8482 -5.8482 -5.8456 -5.8456 -5.6360 -5.6360 -5.6275 -5.6275 -5.5507 -5.5507 -5.5436 -5.5436 -5.2837 -5.2837 -5.2808 -5.2808 -4.8558 -4.8558 -4.8201 -4.8201 -4.7598 -4.7598 -4.7567 -4.7567 -4.5816 -4.5816 -4.5691 -4.5691 -4.3534 -4.3534 -4.3531 -4.3531 -1.9678 -1.9678 -1.9658 -1.9658 0.6277 0.6282 k = 0.0000 0.0000 0.2853 ( 17206 PWs) bands (ev): -23.7838 -23.7838 -23.7830 -23.7830 -23.0396 -23.0396 -23.0386 -23.0386 -21.8525 -21.8525 -21.8523 -21.8523 -21.5441 -21.5441 -21.5440 -21.5440 -14.3637 -14.3637 -14.3630 -14.3630 -10.9245 -10.9245 -10.9240 -10.9240 -9.3900 -9.3900 -9.3895 -9.3895 -9.2995 -9.2995 -9.2990 -9.2990 -8.5052 -8.5052 -8.5049 -8.5049 -8.3808 -8.3808 -8.3802 -8.3802 -7.0200 -7.0200 -7.0194 -7.0194 -5.8474 -5.8474 -5.8464 -5.8464 -5.6319 -5.6319 -5.6317 -5.6317 -5.5472 -5.5472 -5.5470 -5.5470 -5.2825 -5.2825 -5.2823 -5.2823 -4.8381 -4.8381 -4.8377 -4.8377 -4.7583 -4.7583 -4.7581 -4.7581 -4.5757 -4.5757 -4.5752 -4.5752 -4.3531 -4.3531 -4.3530 -4.3530 -1.9671 -1.9671 -1.9666 -1.9666 0.6276 0.6278 k = 0.0000 0.0000 0.2853 ( 17206 PWs) bands (ev): -23.7838 -23.7838 -23.7830 -23.7830 -23.0396 -23.0396 -23.0386 -23.0386 -21.8525 -21.8525 -21.8523 -21.8523 -21.5441 -21.5441 -21.5440 -21.5440 -14.3637 -14.3637 -14.3630 -14.3630 -10.9245 -10.9245 -10.9240 -10.9240 -9.3900 -9.3900 -9.3895 -9.3895 -9.2995 -9.2995 -9.2990 -9.2990 -8.5052 -8.5052 -8.5049 -8.5049 -8.3808 -8.3808 -8.3802 -8.3802 -7.0200 -7.0200 -7.0194 -7.0194 -5.8474 -5.8474 -5.8464 -5.8464 -5.6319 -5.6319 -5.6317 -5.6317 -5.5472 -5.5472 -5.5470 -5.5470 -5.2825 -5.2825 -5.2823 -5.2823 -4.8381 -4.8381 -4.8377 -4.8377 -4.7583 -4.7583 -4.7581 -4.7581 -4.5757 -4.5757 -4.5752 -4.5752 -4.3531 -4.3531 -4.3530 -4.3530 -1.9671 -1.9671 -1.9666 -1.9666 0.6277 0.6278 k = 0.0000 0.0209 0.2853 ( 17192 PWs) bands (ev): -23.7838 -23.7838 -23.7830 -23.7830 -23.0396 -23.0396 -23.0386 -23.0386 -21.8525 -21.8525 -21.8523 -21.8523 -21.5441 -21.5441 -21.5440 -21.5440 -14.3638 -14.3638 -14.3630 -14.3630 -10.9247 -10.9247 -10.9238 -10.9238 -9.3903 -9.3903 -9.3893 -9.3893 -9.3004 -9.3004 -9.2981 -9.2981 -8.5057 -8.5057 -8.5044 -8.5044 -8.3812 -8.3812 -8.3800 -8.3800 -7.0206 -7.0206 -7.0188 -7.0188 -5.8482 -5.8482 -5.8458 -5.8458 -5.6329 -5.6329 -5.6300 -5.6300 -5.5486 -5.5486 -5.5456 -5.5456 -5.2827 -5.2827 -5.2820 -5.2820 -4.8393 -4.8393 -4.8375 -4.8375 -4.7611 -4.7611 -4.7542 -4.7542 -4.5794 -4.5794 -4.5717 -4.5717 -4.3592 -4.3592 -4.3470 -4.3470 -1.9670 -1.9670 -1.9665 -1.9665 0.6274 0.6277 k = 0.0000 0.0419 0.2853 ( 17196 PWs) bands (ev): -23.7838 -23.7838 -23.7830 -23.7830 -23.0396 -23.0396 -23.0386 -23.0386 -21.8526 -21.8526 -21.8523 -21.8523 -21.5441 -21.5441 -21.5439 -21.5439 -14.3640 -14.3640 -14.3628 -14.3628 -10.9251 -10.9251 -10.9234 -10.9234 -9.3907 -9.3907 -9.3888 -9.3888 -9.3016 -9.3016 -9.2970 -9.2970 -8.5063 -8.5063 -8.5037 -8.5037 -8.3820 -8.3820 -8.3798 -8.3798 -7.0212 -7.0212 -7.0179 -7.0179 -5.8495 -5.8495 -5.8449 -5.8449 -5.6334 -5.6334 -5.6276 -5.6276 -5.5499 -5.5499 -5.5439 -5.5439 -5.2830 -5.2830 -5.2816 -5.2816 -4.8416 -4.8416 -4.8385 -4.8385 -4.7627 -4.7627 -4.7496 -4.7496 -4.5835 -4.5835 -4.5680 -4.5680 -4.3654 -4.3654 -4.3410 -4.3410 -1.9667 -1.9667 -1.9661 -1.9661 0.6268 0.6273 k = 0.0000 0.0628 0.2853 ( 17190 PWs) bands (ev): -23.7838 -23.7838 -23.7829 -23.7829 -23.0397 -23.0397 -23.0385 -23.0385 -21.8527 -21.8527 -21.8523 -21.8523 -21.5442 -21.5442 -21.5438 -21.5438 -14.3642 -14.3642 -14.3627 -14.3627 -10.9256 -10.9256 -10.9231 -10.9231 -9.3910 -9.3910 -9.3883 -9.3883 -9.3028 -9.3028 -9.2960 -9.2960 -8.5069 -8.5069 -8.5030 -8.5030 -8.3830 -8.3830 -8.3798 -8.3798 -7.0218 -7.0218 -7.0169 -7.0169 -5.8509 -5.8509 -5.8442 -5.8442 -5.6332 -5.6332 -5.6246 -5.6246 -5.5511 -5.5511 -5.5423 -5.5423 -5.2833 -5.2833 -5.2812 -5.2812 -4.8445 -4.8445 -4.8408 -4.8408 -4.7627 -4.7627 -4.7445 -4.7445 -4.5877 -4.5877 -4.5645 -4.5645 -4.3717 -4.3717 -4.3353 -4.3353 -1.9662 -1.9662 -1.9654 -1.9654 0.6262 0.6266 k = 0.0000 0.0837 0.2853 ( 17191 PWs) bands (ev): -23.7838 -23.7838 -23.7829 -23.7829 -23.0397 -23.0397 -23.0385 -23.0385 -21.8528 -21.8528 -21.8523 -21.8523 -21.5442 -21.5442 -21.5437 -21.5437 -14.3644 -14.3644 -14.3625 -14.3625 -10.9260 -10.9260 -10.9227 -10.9227 -9.3914 -9.3914 -9.3878 -9.3878 -9.3041 -9.3041 -9.2951 -9.2951 -8.5075 -8.5075 -8.5023 -8.5023 -8.3843 -8.3843 -8.3800 -8.3800 -7.0223 -7.0223 -7.0158 -7.0158 -5.8525 -5.8525 -5.8435 -5.8435 -5.6323 -5.6323 -5.6211 -5.6211 -5.5520 -5.5520 -5.5406 -5.5406 -5.2835 -5.2835 -5.2807 -5.2807 -4.8483 -4.8483 -4.8441 -4.8441 -4.7613 -4.7613 -4.7393 -4.7393 -4.5921 -4.5921 -4.5611 -4.5611 -4.3779 -4.3779 -4.3297 -4.3297 -1.9656 -1.9656 -1.9646 -1.9646 0.6252 0.6263 k = 0.0000 0.1046 0.2853 ( 17191 PWs) bands (ev): -23.7838 -23.7838 -23.7828 -23.7828 -23.0398 -23.0398 -23.0385 -23.0385 -21.8529 -21.8529 -21.8524 -21.8524 -21.5442 -21.5442 -21.5436 -21.5436 -14.3646 -14.3646 -14.3623 -14.3623 -10.9264 -10.9264 -10.9223 -10.9223 -9.3917 -9.3917 -9.3873 -9.3873 -9.3054 -9.3054 -9.2942 -9.2942 -8.5081 -8.5081 -8.5016 -8.5016 -8.3857 -8.3857 -8.3804 -8.3804 -7.0227 -7.0227 -7.0147 -7.0147 -5.8543 -5.8543 -5.8430 -5.8430 -5.6308 -5.6308 -5.6171 -5.6171 -5.5527 -5.5527 -5.5390 -5.5390 -5.2838 -5.2838 -5.2802 -5.2802 -4.8532 -4.8532 -4.8477 -4.8477 -4.7586 -4.7586 -4.7340 -4.7340 -4.5966 -4.5966 -4.5579 -4.5579 -4.3840 -4.3840 -4.3244 -4.3244 -1.9647 -1.9647 -1.9636 -1.9636 0.6243 0.6247 k = 0.0000 0.1256 0.2853 ( 17200 PWs) bands (ev): -23.7839 -23.7839 -23.7827 -23.7827 -23.0398 -23.0398 -23.0384 -23.0384 -21.8531 -21.8531 -21.8524 -21.8524 -21.5441 -21.5441 -21.5434 -21.5434 -14.3649 -14.3649 -14.3621 -14.3621 -10.9269 -10.9269 -10.9220 -10.9220 -9.3920 -9.3920 -9.3867 -9.3867 -9.3067 -9.3067 -9.2934 -9.2934 -8.5086 -8.5086 -8.5009 -8.5009 -8.3873 -8.3873 -8.3810 -8.3810 -7.0231 -7.0231 -7.0134 -7.0134 -5.8561 -5.8561 -5.8427 -5.8427 -5.6285 -5.6285 -5.6127 -5.6127 -5.5531 -5.5531 -5.5374 -5.5374 -5.2841 -5.2841 -5.2797 -5.2797 -4.8592 -4.8592 -4.8511 -4.8511 -4.7548 -4.7548 -4.7289 -4.7289 -4.6014 -4.6014 -4.5548 -4.5548 -4.3900 -4.3900 -4.3194 -4.3194 -1.9636 -1.9636 -1.9624 -1.9624 0.6241 0.6259 k = 0.0000 0.1465 0.2853 ( 17218 PWs) bands (ev): -23.7839 -23.7839 -23.7827 -23.7827 -23.0399 -23.0399 -23.0384 -23.0384 -21.8532 -21.8532 -21.8525 -21.8525 -21.5441 -21.5441 -21.5433 -21.5433 -14.3651 -14.3651 -14.3620 -14.3620 -10.9273 -10.9273 -10.9216 -10.9216 -9.3922 -9.3922 -9.3861 -9.3861 -9.3080 -9.3080 -9.2926 -9.2926 -8.5091 -8.5091 -8.5001 -8.5001 -8.3890 -8.3890 -8.3818 -8.3818 -7.0234 -7.0234 -7.0122 -7.0122 -5.8581 -5.8581 -5.8424 -5.8424 -5.6257 -5.6257 -5.6079 -5.6079 -5.5531 -5.5531 -5.5359 -5.5359 -5.2844 -5.2844 -5.2793 -5.2793 -4.8661 -4.8661 -4.8544 -4.8544 -4.7502 -4.7502 -4.7240 -4.7240 -4.6063 -4.6063 -4.5518 -4.5518 -4.3959 -4.3959 -4.3146 -4.3146 -1.9623 -1.9623 -1.9611 -1.9611 0.6221 0.6231 k = 0.0000 0.1674 0.2853 ( 17210 PWs) bands (ev): -23.7839 -23.7839 -23.7826 -23.7826 -23.0400 -23.0400 -23.0383 -23.0383 -21.8534 -21.8534 -21.8526 -21.8526 -21.5441 -21.5441 -21.5431 -21.5431 -14.3654 -14.3654 -14.3618 -14.3618 -10.9277 -10.9277 -10.9213 -10.9213 -9.3924 -9.3924 -9.3856 -9.3856 -9.3093 -9.3093 -9.2919 -9.2919 -8.5096 -8.5096 -8.4993 -8.4993 -8.3909 -8.3909 -8.3828 -8.3828 -7.0236 -7.0236 -7.0109 -7.0109 -5.8601 -5.8601 -5.8422 -5.8422 -5.6222 -5.6222 -5.6030 -5.6030 -5.5527 -5.5527 -5.5345 -5.5345 -5.2847 -5.2847 -5.2789 -5.2789 -4.8737 -4.8737 -4.8573 -4.8573 -4.7449 -4.7449 -4.7195 -4.7195 -4.6114 -4.6114 -4.5489 -4.5489 -4.4015 -4.4015 -4.3101 -4.3101 -1.9609 -1.9609 -1.9596 -1.9596 0.6207 0.6217 k = 0.0000 0.1884 0.2853 ( 17204 PWs) bands (ev): -23.7839 -23.7839 -23.7825 -23.7825 -23.0400 -23.0400 -23.0382 -23.0382 -21.8536 -21.8536 -21.8527 -21.8527 -21.5440 -21.5440 -21.5430 -21.5430 -14.3657 -14.3657 -14.3616 -14.3616 -10.9282 -10.9282 -10.9210 -10.9210 -9.3926 -9.3926 -9.3850 -9.3850 -9.3106 -9.3106 -9.2913 -9.2913 -8.5101 -8.5101 -8.4985 -8.4985 -8.3929 -8.3929 -8.3838 -8.3838 -7.0237 -7.0237 -7.0096 -7.0096 -5.8621 -5.8621 -5.8422 -5.8422 -5.6183 -5.6183 -5.5979 -5.5979 -5.5518 -5.5518 -5.5332 -5.5332 -5.2851 -5.2851 -5.2786 -5.2786 -4.8816 -4.8816 -4.8601 -4.8601 -4.7392 -4.7392 -4.7152 -4.7152 -4.6167 -4.6167 -4.5462 -4.5462 -4.4068 -4.4068 -4.3058 -4.3058 -1.9593 -1.9593 -1.9580 -1.9580 0.6193 0.6220 k = 0.0000 0.2093 0.2853 ( 17188 PWs) bands (ev): -23.7839 -23.7839 -23.7824 -23.7824 -23.0401 -23.0401 -23.0382 -23.0382 -21.8538 -21.8538 -21.8528 -21.8528 -21.5440 -21.5440 -21.5428 -21.5428 -14.3659 -14.3659 -14.3615 -14.3615 -10.9286 -10.9286 -10.9207 -10.9207 -9.3928 -9.3928 -9.3844 -9.3844 -9.3119 -9.3119 -9.2907 -9.2907 -8.5106 -8.5106 -8.4977 -8.4977 -8.3949 -8.3949 -8.3851 -8.3851 -7.0239 -7.0239 -7.0082 -7.0082 -5.8642 -5.8642 -5.8423 -5.8423 -5.6138 -5.6138 -5.5928 -5.5928 -5.5503 -5.5503 -5.5320 -5.5320 -5.2856 -5.2856 -5.2784 -5.2784 -4.8896 -4.8896 -4.8627 -4.8627 -4.7332 -4.7332 -4.7114 -4.7114 -4.6222 -4.6222 -4.5436 -4.5436 -4.4117 -4.4117 -4.3019 -4.3019 -1.9575 -1.9575 -1.9564 -1.9564 0.6169 0.6212 k = 0.0000 0.2302 0.2853 ( 17176 PWs) bands (ev): -23.7839 -23.7839 -23.7823 -23.7823 -23.0402 -23.0402 -23.0381 -23.0381 -21.8540 -21.8540 -21.8529 -21.8529 -21.5439 -21.5439 -21.5426 -21.5426 -14.3662 -14.3662 -14.3613 -14.3613 -10.9290 -10.9290 -10.9204 -10.9204 -9.3929 -9.3929 -9.3838 -9.3838 -9.3132 -9.3132 -9.2902 -9.2902 -8.5110 -8.5110 -8.4969 -8.4969 -8.3971 -8.3971 -8.3864 -8.3864 -7.0239 -7.0239 -7.0069 -7.0069 -5.8662 -5.8662 -5.8424 -5.8424 -5.6089 -5.6089 -5.5878 -5.5878 -5.5483 -5.5483 -5.5309 -5.5309 -5.2862 -5.2862 -5.2784 -5.2784 -4.8976 -4.8976 -4.8650 -4.8650 -4.7269 -4.7269 -4.7080 -4.7080 -4.6278 -4.6278 -4.5412 -4.5412 -4.4162 -4.4162 -4.2984 -4.2984 -1.9557 -1.9557 -1.9546 -1.9546 0.6156 0.6165 k = 0.0000 0.2511 0.2853 ( 17172 PWs) bands (ev): -23.7839 -23.7839 -23.7822 -23.7822 -23.0403 -23.0403 -23.0381 -23.0381 -21.8542 -21.8542 -21.8530 -21.8530 -21.5438 -21.5438 -21.5424 -21.5424 -14.3665 -14.3665 -14.3612 -14.3612 -10.9294 -10.9294 -10.9202 -10.9202 -9.3931 -9.3931 -9.3833 -9.3833 -9.3144 -9.3144 -9.2898 -9.2898 -8.5114 -8.5114 -8.4960 -8.4960 -8.3992 -8.3992 -8.3878 -8.3878 -7.0240 -7.0240 -7.0056 -7.0056 -5.8682 -5.8682 -5.8427 -5.8427 -5.6037 -5.6037 -5.5830 -5.5830 -5.5456 -5.5456 -5.5300 -5.5300 -5.2869 -5.2869 -5.2785 -5.2785 -4.9055 -4.9055 -4.8671 -4.8671 -4.7205 -4.7205 -4.7050 -4.7050 -4.6337 -4.6337 -4.5389 -4.5389 -4.4203 -4.4203 -4.2951 -4.2951 -1.9538 -1.9538 -1.9529 -1.9529 0.6135 0.6179 k = 0.0000 0.2721 0.2853 ( 17175 PWs) bands (ev): -23.7839 -23.7839 -23.7821 -23.7821 -23.0403 -23.0403 -23.0380 -23.0380 -21.8544 -21.8544 -21.8531 -21.8531 -21.5438 -21.5438 -21.5422 -21.5422 -14.3667 -14.3667 -14.3610 -14.3610 -10.9298 -10.9298 -10.9199 -10.9199 -9.3931 -9.3931 -9.3828 -9.3828 -9.3156 -9.3156 -9.2894 -9.2894 -8.5118 -8.5118 -8.4952 -8.4952 -8.4014 -8.4014 -8.3892 -8.3892 -7.0240 -7.0240 -7.0042 -7.0042 -5.8701 -5.8701 -5.8431 -5.8431 -5.5983 -5.5983 -5.5786 -5.5786 -5.5422 -5.5422 -5.5291 -5.5291 -5.2878 -5.2878 -5.2787 -5.2787 -4.9132 -4.9132 -4.8690 -4.8690 -4.7142 -4.7142 -4.7024 -4.7024 -4.6396 -4.6396 -4.5368 -4.5368 -4.4239 -4.4239 -4.2922 -4.2922 -1.9519 -1.9519 -1.9511 -1.9511 0.6119 0.6142 k = 0.0000 0.2930 0.2853 ( 17178 PWs) bands (ev): -23.7839 -23.7839 -23.7820 -23.7820 -23.0404 -23.0404 -23.0379 -23.0379 -21.8546 -21.8546 -21.8533 -21.8533 -21.5437 -21.5437 -21.5421 -21.5421 -14.3670 -14.3670 -14.3608 -14.3608 -10.9302 -10.9302 -10.9197 -10.9197 -9.3932 -9.3932 -9.3822 -9.3822 -9.3167 -9.3167 -9.2891 -9.2891 -8.5122 -8.5122 -8.4943 -8.4943 -8.4036 -8.4036 -8.3907 -8.3907 -7.0240 -7.0240 -7.0030 -7.0030 -5.8718 -5.8718 -5.8436 -5.8436 -5.5927 -5.5927 -5.5745 -5.5745 -5.5382 -5.5382 -5.5284 -5.5284 -5.2887 -5.2887 -5.2791 -5.2791 -4.9205 -4.9205 -4.8708 -4.8708 -4.7081 -4.7081 -4.7000 -4.7000 -4.6456 -4.6456 -4.5348 -4.5348 -4.4269 -4.4269 -4.2896 -4.2896 -1.9499 -1.9499 -1.9493 -1.9493 0.6099 0.6123 k = 0.0000 0.3139 0.2853 ( 17186 PWs) bands (ev): -23.7839 -23.7839 -23.7819 -23.7819 -23.0405 -23.0405 -23.0379 -23.0379 -21.8548 -21.8548 -21.8534 -21.8534 -21.5436 -21.5436 -21.5419 -21.5419 -14.3673 -14.3673 -14.3607 -14.3607 -10.9305 -10.9305 -10.9195 -10.9195 -9.3932 -9.3932 -9.3818 -9.3818 -9.3178 -9.3178 -9.2888 -9.2888 -8.5125 -8.5125 -8.4934 -8.4934 -8.4057 -8.4057 -8.3922 -8.3922 -7.0239 -7.0239 -7.0017 -7.0017 -5.8735 -5.8735 -5.8441 -5.8441 -5.5872 -5.5872 -5.5709 -5.5709 -5.5336 -5.5336 -5.5278 -5.5278 -5.2898 -5.2898 -5.2797 -5.2797 -4.9274 -4.9274 -4.8723 -4.8723 -4.7029 -4.7029 -4.6977 -4.6977 -4.6515 -4.6515 -4.5330 -4.5330 -4.4295 -4.4295 -4.2873 -4.2873 -1.9481 -1.9481 -1.9475 -1.9475 0.6090 0.6101 k = 0.0000 0.3349 0.2853 ( 17168 PWs) bands (ev): -23.7839 -23.7839 -23.7817 -23.7817 -23.0406 -23.0406 -23.0378 -23.0378 -21.8550 -21.8550 -21.8535 -21.8535 -21.5436 -21.5436 -21.5417 -21.5417 -14.3676 -14.3676 -14.3605 -14.3605 -10.9309 -10.9309 -10.9193 -10.9193 -9.3932 -9.3932 -9.3813 -9.3813 -9.3187 -9.3187 -9.2886 -9.2886 -8.5129 -8.5129 -8.4925 -8.4925 -8.4078 -8.4078 -8.3936 -8.3936 -7.0239 -7.0239 -7.0005 -7.0005 -5.8749 -5.8749 -5.8448 -5.8448 -5.5817 -5.5817 -5.5675 -5.5675 -5.5288 -5.5288 -5.5272 -5.5272 -5.2910 -5.2910 -5.2805 -5.2805 -4.9337 -4.9337 -4.8736 -4.8736 -4.6994 -4.6994 -4.6948 -4.6948 -4.6568 -4.6568 -4.5313 -4.5313 -4.4314 -4.4314 -4.2853 -4.2853 -1.9464 -1.9464 -1.9456 -1.9456 0.6083 0.6094 k = 0.0000 0.3558 0.2853 ( 17152 PWs) bands (ev): -23.7839 -23.7839 -23.7816 -23.7816 -23.0407 -23.0407 -23.0378 -23.0378 -21.8552 -21.8552 -21.8536 -21.8536 -21.5435 -21.5435 -21.5415 -21.5415 -14.3678 -14.3678 -14.3604 -14.3604 -10.9312 -10.9312 -10.9191 -10.9191 -9.3932 -9.3932 -9.3810 -9.3810 -9.3196 -9.3196 -9.2884 -9.2884 -8.5132 -8.5132 -8.4916 -8.4916 -8.4097 -8.4097 -8.3950 -8.3950 -7.0239 -7.0239 -6.9994 -6.9994 -5.8762 -5.8762 -5.8455 -5.8455 -5.5766 -5.5766 -5.5643 -5.5643 -5.5268 -5.5268 -5.5234 -5.5234 -5.2923 -5.2923 -5.2814 -5.2814 -4.9393 -4.9393 -4.8748 -4.8748 -4.6977 -4.6977 -4.6921 -4.6921 -4.6607 -4.6607 -4.5298 -4.5298 -4.4329 -4.4329 -4.2837 -4.2837 -1.9449 -1.9449 -1.9437 -1.9437 0.6063 0.6073 k = 0.0000 0.3767 0.2853 ( 17140 PWs) bands (ev): -23.7839 -23.7839 -23.7815 -23.7815 -23.0407 -23.0407 -23.0377 -23.0377 -21.8554 -21.8554 -21.8537 -21.8537 -21.5434 -21.5434 -21.5414 -21.5414 -14.3681 -14.3681 -14.3602 -14.3602 -10.9315 -10.9315 -10.9189 -10.9189 -9.3932 -9.3932 -9.3806 -9.3806 -9.3204 -9.3204 -9.2883 -9.2883 -8.5136 -8.5136 -8.4907 -8.4907 -8.4116 -8.4116 -8.3963 -8.3963 -7.0239 -7.0239 -6.9983 -6.9983 -5.8773 -5.8773 -5.8463 -5.8463 -5.5719 -5.5719 -5.5614 -5.5614 -5.5261 -5.5261 -5.5182 -5.5182 -5.2937 -5.2937 -5.2824 -5.2824 -4.9443 -4.9443 -4.8758 -4.8758 -4.6968 -4.6968 -4.6921 -4.6921 -4.6618 -4.6618 -4.5285 -4.5285 -4.4338 -4.4338 -4.2823 -4.2823 -1.9435 -1.9435 -1.9419 -1.9419 0.6033 0.6066 k = 0.0000 0.3976 0.2853 ( 17150 PWs) bands (ev): -23.7839 -23.7839 -23.7815 -23.7815 -23.0408 -23.0408 -23.0376 -23.0376 -21.8555 -21.8555 -21.8538 -21.8538 -21.5434 -21.5434 -21.5412 -21.5412 -14.3684 -14.3684 -14.3600 -14.3600 -10.9318 -10.9318 -10.9187 -10.9187 -9.3931 -9.3931 -9.3804 -9.3804 -9.3211 -9.3211 -9.2882 -9.2882 -8.5140 -8.5140 -8.4898 -8.4898 -8.4133 -8.4133 -8.3976 -8.3976 -7.0240 -7.0240 -6.9973 -6.9973 -5.8782 -5.8782 -5.8472 -5.8472 -5.5680 -5.5680 -5.5587 -5.5587 -5.5252 -5.5252 -5.5131 -5.5131 -5.2952 -5.2952 -5.2835 -5.2835 -4.9484 -4.9484 -4.8768 -4.8768 -4.6969 -4.6969 -4.6948 -4.6948 -4.6596 -4.6596 -4.5273 -4.5273 -4.4342 -4.4342 -4.2813 -4.2813 -1.9423 -1.9423 -1.9401 -1.9401 0.6025 0.6068 k = 0.0000 0.4186 0.2853 ( 17149 PWs) bands (ev): -23.7840 -23.7840 -23.7814 -23.7814 -23.0409 -23.0409 -23.0376 -23.0376 -21.8557 -21.8557 -21.8539 -21.8539 -21.5434 -21.5434 -21.5411 -21.5411 -14.3686 -14.3686 -14.3599 -14.3599 -10.9321 -10.9321 -10.9185 -10.9185 -9.3930 -9.3930 -9.3802 -9.3802 -9.3216 -9.3216 -9.2881 -9.2881 -8.5144 -8.5144 -8.4889 -8.4889 -8.4148 -8.4148 -8.3987 -8.3987 -7.0240 -7.0240 -6.9964 -6.9964 -5.8788 -5.8788 -5.8481 -5.8481 -5.5650 -5.5650 -5.5560 -5.5560 -5.5239 -5.5239 -5.5082 -5.5082 -5.2968 -5.2968 -5.2847 -5.2847 -4.9517 -4.9517 -4.8776 -4.8776 -4.7020 -4.7020 -4.6953 -4.6953 -4.6554 -4.6554 -4.5263 -4.5263 -4.4341 -4.4341 -4.2806 -4.2806 -1.9412 -1.9412 -1.9386 -1.9386 0.6006 0.6019 k = 0.0000 0.4395 0.2853 ( 17159 PWs) bands (ev): -23.7840 -23.7840 -23.7813 -23.7813 -23.0409 -23.0409 -23.0375 -23.0375 -21.8558 -21.8558 -21.8540 -21.8540 -21.5433 -21.5433 -21.5410 -21.5410 -14.3688 -14.3688 -14.3597 -14.3597 -10.9323 -10.9323 -10.9184 -10.9184 -9.3929 -9.3929 -9.3801 -9.3801 -9.3221 -9.3221 -9.2881 -9.2881 -8.5148 -8.5148 -8.4880 -8.4880 -8.4162 -8.4162 -8.3996 -8.3996 -7.0241 -7.0241 -6.9956 -6.9956 -5.8791 -5.8791 -5.8491 -5.8491 -5.5631 -5.5631 -5.5536 -5.5536 -5.5222 -5.5222 -5.5035 -5.5035 -5.2984 -5.2984 -5.2859 -5.2859 -4.9541 -4.9541 -4.8782 -4.8782 -4.7092 -4.7092 -4.6951 -4.6951 -4.6502 -4.6502 -4.5255 -4.5255 -4.4336 -4.4336 -4.2802 -4.2802 -1.9403 -1.9403 -1.9371 -1.9371 0.5998 0.6052 k = 0.0000 0.4604 0.2853 ( 17165 PWs) bands (ev): -23.7840 -23.7840 -23.7812 -23.7812 -23.0410 -23.0410 -23.0375 -23.0375 -21.8559 -21.8559 -21.8540 -21.8540 -21.5433 -21.5433 -21.5409 -21.5409 -14.3691 -14.3691 -14.3595 -14.3595 -10.9325 -10.9325 -10.9182 -10.9182 -9.3928 -9.3928 -9.3800 -9.3800 -9.3224 -9.3224 -9.2881 -9.2881 -8.5153 -8.5153 -8.4872 -8.4872 -8.4173 -8.4173 -8.4004 -8.4004 -7.0243 -7.0243 -6.9949 -6.9949 -5.8793 -5.8793 -5.8501 -5.8501 -5.5623 -5.5623 -5.5513 -5.5513 -5.5201 -5.5201 -5.4992 -5.4992 -5.3001 -5.3001 -5.2870 -5.2870 -4.9555 -4.9555 -4.8788 -4.8788 -4.7173 -4.7173 -4.6949 -4.6949 -4.6445 -4.6445 -4.5249 -4.5249 -4.4327 -4.4327 -4.2801 -4.2801 -1.9397 -1.9397 -1.9359 -1.9359 0.6002 0.6027 k = 0.0000 0.4814 0.2853 ( 17157 PWs) bands (ev): -23.7840 -23.7840 -23.7811 -23.7811 -23.0411 -23.0411 -23.0374 -23.0374 -21.8560 -21.8560 -21.8540 -21.8540 -21.5433 -21.5433 -21.5408 -21.5408 -14.3693 -14.3693 -14.3593 -14.3593 -10.9327 -10.9327 -10.9181 -10.9181 -9.3927 -9.3927 -9.3801 -9.3801 -9.3226 -9.3226 -9.2881 -9.2881 -8.5158 -8.5158 -8.4864 -8.4864 -8.4182 -8.4182 -8.4010 -8.4010 -7.0245 -7.0245 -6.9943 -6.9943 -5.8791 -5.8791 -5.8511 -5.8511 -5.5628 -5.5628 -5.5493 -5.5493 -5.5177 -5.5177 -5.4954 -5.4954 -5.3018 -5.3018 -5.2881 -5.2881 -4.9560 -4.9560 -4.8792 -4.8792 -4.7259 -4.7259 -4.6947 -4.6947 -4.6387 -4.6387 -4.5244 -4.5244 -4.4315 -4.4315 -4.2803 -4.2803 -1.9393 -1.9393 -1.9348 -1.9348 0.5988 0.5999 k = 0.0000 0.5023 0.2853 ( 17160 PWs) bands (ev): -23.7841 -23.7841 -23.7811 -23.7811 -23.0411 -23.0411 -23.0374 -23.0374 -21.8561 -21.8561 -21.8541 -21.8541 -21.5433 -21.5433 -21.5407 -21.5407 -14.3695 -14.3695 -14.3592 -14.3592 -10.9329 -10.9329 -10.9180 -10.9180 -9.3926 -9.3926 -9.3802 -9.3802 -9.3227 -9.3227 -9.2881 -9.2881 -8.5163 -8.5163 -8.4857 -8.4857 -8.4189 -8.4189 -8.4014 -8.4014 -7.0247 -7.0247 -6.9938 -6.9938 -5.8788 -5.8788 -5.8521 -5.8521 -5.5642 -5.5642 -5.5474 -5.5474 -5.5151 -5.5151 -5.4920 -5.4920 -5.3035 -5.3035 -5.2891 -5.2891 -4.9556 -4.9556 -4.8794 -4.8794 -4.7348 -4.7348 -4.6944 -4.6944 -4.6329 -4.6329 -4.5242 -4.5242 -4.4300 -4.4300 -4.2808 -4.2808 -1.9390 -1.9390 -1.9340 -1.9340 0.5977 0.5991 k = 0.0000 0.5023 0.2853 ( 17160 PWs) bands (ev): -23.7841 -23.7841 -23.7811 -23.7811 -23.0411 -23.0411 -23.0374 -23.0374 -21.8561 -21.8561 -21.8541 -21.8541 -21.5433 -21.5433 -21.5407 -21.5407 -14.3695 -14.3695 -14.3592 -14.3592 -10.9329 -10.9329 -10.9180 -10.9180 -9.3926 -9.3926 -9.3802 -9.3802 -9.3227 -9.3227 -9.2881 -9.2881 -8.5163 -8.5163 -8.4857 -8.4857 -8.4189 -8.4189 -8.4014 -8.4014 -7.0247 -7.0247 -6.9938 -6.9938 -5.8788 -5.8788 -5.8521 -5.8521 -5.5642 -5.5642 -5.5474 -5.5474 -5.5151 -5.5151 -5.4920 -5.4920 -5.3035 -5.3035 -5.2891 -5.2891 -4.9556 -4.9556 -4.8794 -4.8794 -4.7348 -4.7348 -4.6944 -4.6944 -4.6329 -4.6329 -4.5242 -4.5242 -4.4300 -4.4300 -4.2808 -4.2808 -1.9390 -1.9390 -1.9340 -1.9340 0.5978 0.6019 k = 0.0000 0.5070 0.2657 ( 17165 PWs) bands (ev): -23.7839 -23.7839 -23.7812 -23.7812 -23.0410 -23.0410 -23.0375 -23.0375 -21.8560 -21.8560 -21.8542 -21.8542 -21.5432 -21.5432 -21.5408 -21.5408 -14.3690 -14.3690 -14.3597 -14.3597 -10.9322 -10.9322 -10.9187 -10.9187 -9.3922 -9.3922 -9.3810 -9.3810 -9.3208 -9.3208 -9.2897 -9.2897 -8.5147 -8.5147 -8.4872 -8.4872 -8.4181 -8.4181 -8.4023 -8.4023 -7.0231 -7.0231 -6.9953 -6.9953 -5.8777 -5.8777 -5.8533 -5.8533 -5.5655 -5.5655 -5.5514 -5.5514 -5.5103 -5.5103 -5.4888 -5.4888 -5.3044 -5.3044 -5.2912 -5.2912 -4.9480 -4.9480 -4.8773 -4.8773 -4.7428 -4.7428 -4.7092 -4.7092 -4.6237 -4.6237 -4.5272 -4.5272 -4.4180 -4.4180 -4.2854 -4.2854 -1.9385 -1.9385 -1.9340 -1.9340 0.6009 0.6016 k = 0.0000 0.5116 0.2461 ( 17168 PWs) bands (ev): -23.7838 -23.7838 -23.7814 -23.7814 -23.0408 -23.0408 -23.0377 -23.0377 -21.8559 -21.8559 -21.8543 -21.8543 -21.5430 -21.5430 -21.5410 -21.5410 -14.3684 -14.3684 -14.3603 -14.3603 -10.9313 -10.9313 -10.9195 -10.9195 -9.3917 -9.3917 -9.3819 -9.3819 -9.3187 -9.3187 -9.2914 -9.2914 -8.5129 -8.5129 -8.4889 -8.4889 -8.4172 -8.4172 -8.4034 -8.4034 -7.0214 -7.0214 -6.9970 -6.9970 -5.8765 -5.8765 -5.8547 -5.8547 -5.5667 -5.5667 -5.5549 -5.5549 -5.5054 -5.5054 -5.4860 -5.4860 -5.3052 -5.3052 -5.2935 -5.2935 -4.9394 -4.9394 -4.8752 -4.8752 -4.7507 -4.7507 -4.7239 -4.7239 -4.6145 -4.6145 -4.5308 -4.5308 -4.4058 -4.4058 -4.2907 -4.2907 -1.9380 -1.9380 -1.9341 -1.9341 0.6001 0.6010 k = 0.0000 0.5163 0.2265 ( 17162 PWs) bands (ev): -23.7836 -23.7836 -23.7815 -23.7815 -23.0406 -23.0406 -23.0379 -23.0379 -21.8558 -21.8558 -21.8544 -21.8544 -21.5429 -21.5429 -21.5411 -21.5411 -14.3678 -14.3678 -14.3609 -14.3609 -10.9305 -10.9305 -10.9204 -10.9204 -9.3911 -9.3911 -9.3828 -9.3828 -9.3166 -9.3166 -9.2933 -9.2933 -8.5110 -8.5110 -8.4907 -8.4907 -8.4162 -8.4162 -8.4045 -8.4045 -7.0196 -7.0196 -6.9989 -6.9989 -5.8750 -5.8750 -5.8563 -5.8563 -5.5677 -5.5677 -5.5581 -5.5581 -5.5005 -5.5005 -5.4838 -5.4838 -5.3060 -5.3060 -5.2958 -5.2958 -4.9301 -4.9301 -4.8732 -4.8732 -4.7584 -4.7584 -4.7381 -4.7381 -4.6053 -4.6053 -4.5350 -4.5350 -4.3936 -4.3936 -4.2968 -4.2968 -1.9375 -1.9375 -1.9342 -1.9342 0.5982 0.5989 k = 0.0000 0.5210 0.2069 ( 17152 PWs) bands (ev): -23.7835 -23.7835 -23.7817 -23.7817 -23.0404 -23.0404 -23.0381 -23.0381 -21.8557 -21.8557 -21.8545 -21.8545 -21.5427 -21.5427 -21.5413 -21.5413 -14.3672 -14.3672 -14.3615 -14.3615 -10.9295 -10.9295 -10.9213 -10.9213 -9.3905 -9.3905 -9.3837 -9.3837 -9.3143 -9.3143 -9.2954 -9.2954 -8.5091 -8.5091 -8.4926 -8.4926 -8.4152 -8.4152 -8.4056 -8.4056 -7.0177 -7.0177 -7.0008 -7.0008 -5.8734 -5.8734 -5.8580 -5.8580 -5.5684 -5.5684 -5.5609 -5.5609 -5.4960 -5.4960 -5.4821 -5.4821 -5.3065 -5.3065 -5.2982 -5.2982 -4.9202 -4.9202 -4.8718 -4.8718 -4.7654 -4.7654 -4.7511 -4.7511 -4.5964 -4.5964 -4.5398 -4.5398 -4.3816 -4.3816 -4.3036 -4.3036 -1.9370 -1.9370 -1.9343 -1.9343 0.5996 0.6006 k = 0.0000 0.5256 0.1873 ( 17172 PWs) bands (ev): -23.7833 -23.7833 -23.7819 -23.7819 -23.0401 -23.0401 -23.0383 -23.0383 -21.8556 -21.8556 -21.8547 -21.8547 -21.5425 -21.5425 -21.5415 -21.5415 -14.3665 -14.3665 -14.3622 -14.3622 -10.9285 -10.9285 -10.9223 -10.9223 -9.3898 -9.3898 -9.3847 -9.3847 -9.3119 -9.3119 -9.2976 -9.2976 -8.5071 -8.5071 -8.4945 -8.4945 -8.4141 -8.4141 -8.4068 -8.4068 -7.0157 -7.0157 -7.0029 -7.0029 -5.8717 -5.8717 -5.8599 -5.8599 -5.5688 -5.5688 -5.5633 -5.5633 -5.4918 -5.4918 -5.4811 -5.4811 -5.3069 -5.3069 -5.3004 -5.3004 -4.9100 -4.9100 -4.8716 -4.8716 -4.7715 -4.7715 -4.7624 -4.7624 -4.5878 -4.5878 -4.5452 -4.5452 -4.3699 -4.3699 -4.3111 -4.3111 -1.9365 -1.9365 -1.9345 -1.9345 0.5989 0.6003 k = 0.0000 0.5303 0.1677 ( 17168 PWs) bands (ev): -23.7831 -23.7831 -23.7820 -23.7820 -23.0400 -23.0400 -23.0385 -23.0385 -21.8554 -21.8554 -21.8548 -21.8548 -21.5424 -21.5424 -21.5416 -21.5416 -14.3658 -14.3658 -14.3629 -14.3629 -10.9275 -10.9275 -10.9233 -10.9233 -9.3891 -9.3891 -9.3856 -9.3856 -9.3095 -9.3095 -9.2998 -9.2998 -8.5050 -8.5050 -8.4966 -8.4966 -8.4129 -8.4129 -8.4080 -8.4080 -7.0136 -7.0136 -7.0050 -7.0050 -5.8698 -5.8698 -5.8618 -5.8618 -5.5689 -5.5689 -5.5652 -5.5652 -5.4882 -5.4882 -5.4809 -5.4809 -5.3068 -5.3068 -5.3024 -5.3024 -4.9000 -4.9000 -4.8730 -4.8730 -4.7764 -4.7764 -4.7712 -4.7712 -4.5796 -4.5796 -4.5511 -4.5511 -4.3587 -4.3587 -4.3193 -4.3193 -1.9361 -1.9361 -1.9347 -1.9347 0.5989 0.5997 k = 0.0000 0.5350 0.1482 ( 17163 PWs) bands (ev): -23.7830 -23.7830 -23.7821 -23.7821 -23.0398 -23.0398 -23.0387 -23.0387 -21.8553 -21.8553 -21.8550 -21.8550 -21.5422 -21.5422 -21.5418 -21.5418 -14.3652 -14.3652 -14.3636 -14.3636 -10.9265 -10.9265 -10.9244 -10.9244 -9.3883 -9.3883 -9.3865 -9.3865 -9.3070 -9.3070 -9.3022 -9.3022 -8.5029 -8.5029 -8.4987 -8.4987 -8.4118 -8.4118 -8.4092 -8.4092 -7.0115 -7.0115 -7.0071 -7.0071 -5.8679 -5.8679 -5.8638 -5.8638 -5.5686 -5.5686 -5.5668 -5.5668 -5.4852 -5.4852 -5.4816 -5.4816 -5.3063 -5.3063 -5.3041 -5.3041 -4.8906 -4.8906 -4.8766 -4.8766 -4.7793 -4.7793 -4.7770 -4.7770 -4.5718 -4.5718 -4.5575 -4.5575 -4.3480 -4.3480 -4.3282 -4.3282 -1.9357 -1.9357 -1.9349 -1.9349 0.5991 0.5994 k = 0.0000 0.5396 0.1286 ( 17164 PWs) bands (ev): -23.7830 -23.7830 -23.7822 -23.7822 -23.0397 -23.0397 -23.0388 -23.0388 -21.8552 -21.8552 -21.8550 -21.8550 -21.5420 -21.5420 -21.5420 -21.5420 -14.3647 -14.3647 -14.3640 -14.3640 -10.9257 -10.9257 -10.9252 -10.9252 -9.3877 -9.3877 -9.3872 -9.3872 -9.3048 -9.3048 -9.3044 -9.3044 -8.5010 -8.5010 -8.5006 -8.5006 -8.4108 -8.4108 -8.4102 -8.4102 -7.0096 -7.0096 -7.0090 -7.0090 -5.8663 -5.8663 -5.8654 -5.8654 -5.5680 -5.5680 -5.5678 -5.5678 -5.4831 -5.4831 -5.4829 -5.4829 -5.3055 -5.3055 -5.3054 -5.3054 -4.8827 -4.8827 -4.8826 -4.8826 -4.7798 -4.7798 -4.7794 -4.7794 -4.5645 -4.5645 -4.5642 -4.5642 -4.3378 -4.3378 -4.3377 -4.3377 -1.9356 -1.9356 -1.9351 -1.9351 0.5989 0.5991 k = 0.0000 0.5396 0.1286 ( 17164 PWs) bands (ev): -23.7830 -23.7830 -23.7822 -23.7822 -23.0397 -23.0397 -23.0388 -23.0388 -21.8552 -21.8552 -21.8550 -21.8550 -21.5420 -21.5420 -21.5420 -21.5420 -14.3647 -14.3647 -14.3640 -14.3640 -10.9257 -10.9257 -10.9252 -10.9252 -9.3877 -9.3877 -9.3872 -9.3872 -9.3048 -9.3048 -9.3044 -9.3044 -8.5010 -8.5010 -8.5006 -8.5006 -8.4108 -8.4108 -8.4102 -8.4102 -7.0096 -7.0096 -7.0090 -7.0090 -5.8663 -5.8663 -5.8654 -5.8654 -5.5680 -5.5680 -5.5678 -5.5678 -5.4831 -5.4831 -5.4829 -5.4829 -5.3055 -5.3055 -5.3054 -5.3054 -4.8827 -4.8827 -4.8826 -4.8826 -4.7798 -4.7798 -4.7794 -4.7794 -4.5645 -4.5645 -4.5642 -4.5642 -4.3378 -4.3378 -4.3377 -4.3377 -1.9356 -1.9356 -1.9351 -1.9351 0.5989 0.5991 k = 0.0208 0.5396 0.1286 ( 17170 PWs) bands (ev): -23.7830 -23.7830 -23.7822 -23.7822 -23.0397 -23.0397 -23.0388 -23.0388 -21.8552 -21.8552 -21.8550 -21.8550 -21.5420 -21.5420 -21.5420 -21.5420 -14.3647 -14.3647 -14.3640 -14.3640 -10.9256 -10.9256 -10.9252 -10.9252 -9.3877 -9.3877 -9.3872 -9.3872 -9.3048 -9.3048 -9.3043 -9.3043 -8.5010 -8.5010 -8.5006 -8.5006 -8.4108 -8.4108 -8.4103 -8.4103 -7.0096 -7.0096 -7.0090 -7.0090 -5.8663 -5.8663 -5.8653 -5.8653 -5.5679 -5.5679 -5.5677 -5.5677 -5.4832 -5.4832 -5.4830 -5.4830 -5.3056 -5.3056 -5.3052 -5.3052 -4.8823 -4.8823 -4.8822 -4.8822 -4.7799 -4.7799 -4.7793 -4.7793 -4.5645 -4.5645 -4.5642 -4.5642 -4.3383 -4.3383 -4.3382 -4.3382 -1.9356 -1.9356 -1.9351 -1.9351 0.5989 0.5991 k = 0.0417 0.5396 0.1286 ( 17162 PWs) bands (ev): -23.7830 -23.7830 -23.7822 -23.7822 -23.0397 -23.0397 -23.0388 -23.0388 -21.8552 -21.8552 -21.8551 -21.8551 -21.5420 -21.5420 -21.5420 -21.5420 -14.3647 -14.3647 -14.3640 -14.3640 -10.9256 -10.9256 -10.9251 -10.9251 -9.3877 -9.3877 -9.3872 -9.3872 -9.3047 -9.3047 -9.3043 -9.3043 -8.5012 -8.5012 -8.5008 -8.5008 -8.4110 -8.4110 -8.4104 -8.4104 -7.0096 -7.0096 -7.0090 -7.0090 -5.8662 -5.8662 -5.8652 -5.8652 -5.5676 -5.5676 -5.5673 -5.5673 -5.4836 -5.4836 -5.4834 -5.4834 -5.3056 -5.3056 -5.3050 -5.3050 -4.8813 -4.8813 -4.8812 -4.8812 -4.7799 -4.7799 -4.7791 -4.7791 -4.5644 -4.5644 -4.5641 -4.5641 -4.3395 -4.3395 -4.3394 -4.3394 -1.9355 -1.9355 -1.9350 -1.9350 0.5988 0.5991 k = 0.0625 0.5396 0.1286 ( 17160 PWs) bands (ev): -23.7830 -23.7830 -23.7822 -23.7822 -23.0397 -23.0397 -23.0388 -23.0388 -21.8552 -21.8552 -21.8551 -21.8551 -21.5420 -21.5420 -21.5420 -21.5420 -14.3647 -14.3647 -14.3640 -14.3640 -10.9255 -10.9255 -10.9250 -10.9250 -9.3878 -9.3878 -9.3873 -9.3873 -9.3046 -9.3046 -9.3041 -9.3041 -8.5014 -8.5014 -8.5010 -8.5010 -8.4112 -8.4112 -8.4107 -8.4107 -7.0096 -7.0096 -7.0090 -7.0090 -5.8660 -5.8660 -5.8650 -5.8650 -5.5671 -5.5671 -5.5667 -5.5667 -5.4842 -5.4842 -5.4840 -5.4840 -5.3056 -5.3056 -5.3047 -5.3047 -4.8795 -4.8795 -4.8794 -4.8794 -4.7798 -4.7798 -4.7789 -4.7789 -4.5643 -4.5643 -4.5640 -4.5640 -4.3416 -4.3416 -4.3414 -4.3414 -1.9355 -1.9355 -1.9350 -1.9350 0.5986 0.5988 k = 0.0833 0.5396 0.1286 ( 17162 PWs) bands (ev): -23.7830 -23.7830 -23.7822 -23.7822 -23.0397 -23.0397 -23.0388 -23.0388 -21.8552 -21.8552 -21.8551 -21.8551 -21.5420 -21.5420 -21.5420 -21.5420 -14.3648 -14.3648 -14.3641 -14.3641 -10.9253 -10.9253 -10.9249 -10.9249 -9.3878 -9.3878 -9.3874 -9.3874 -9.3044 -9.3044 -9.3040 -9.3040 -8.5018 -8.5018 -8.5014 -8.5014 -8.4116 -8.4116 -8.4110 -8.4110 -7.0096 -7.0096 -7.0090 -7.0090 -5.8657 -5.8657 -5.8647 -5.8647 -5.5663 -5.5663 -5.5659 -5.5659 -5.4850 -5.4850 -5.4848 -5.4848 -5.3055 -5.3055 -5.3043 -5.3043 -4.8771 -4.8771 -4.8771 -4.8771 -4.7797 -4.7797 -4.7785 -4.7785 -4.5641 -4.5641 -4.5638 -4.5638 -4.3445 -4.3445 -4.3442 -4.3442 -1.9354 -1.9354 -1.9349 -1.9349 0.5986 0.5987 k = 0.1042 0.5396 0.1286 ( 17154 PWs) bands (ev): -23.7830 -23.7830 -23.7821 -23.7821 -23.0397 -23.0397 -23.0387 -23.0387 -21.8552 -21.8552 -21.8551 -21.8551 -21.5420 -21.5420 -21.5420 -21.5420 -14.3648 -14.3648 -14.3641 -14.3641 -10.9252 -10.9252 -10.9247 -10.9247 -9.3879 -9.3879 -9.3874 -9.3874 -9.3042 -9.3042 -9.3038 -9.3038 -8.5022 -8.5022 -8.5018 -8.5018 -8.4120 -8.4120 -8.4114 -8.4114 -7.0096 -7.0096 -7.0090 -7.0090 -5.8653 -5.8653 -5.8643 -5.8643 -5.5655 -5.5655 -5.5650 -5.5650 -5.4860 -5.4860 -5.4858 -5.4858 -5.3054 -5.3054 -5.3039 -5.3039 -4.8742 -4.8742 -4.8741 -4.8741 -4.7795 -4.7795 -4.7779 -4.7779 -4.5639 -4.5639 -4.5635 -4.5635 -4.3481 -4.3481 -4.3478 -4.3478 -1.9353 -1.9353 -1.9348 -1.9348 0.5980 0.5982 k = 0.1250 0.5396 0.1286 ( 17160 PWs) bands (ev): -23.7830 -23.7830 -23.7821 -23.7821 -23.0397 -23.0397 -23.0387 -23.0387 -21.8553 -21.8553 -21.8551 -21.8551 -21.5420 -21.5420 -21.5420 -21.5420 -14.3648 -14.3648 -14.3641 -14.3641 -10.9250 -10.9250 -10.9245 -10.9245 -9.3880 -9.3880 -9.3875 -9.3875 -9.3040 -9.3040 -9.3035 -9.3035 -8.5027 -8.5027 -8.5023 -8.5023 -8.4125 -8.4125 -8.4120 -8.4120 -7.0096 -7.0096 -7.0090 -7.0090 -5.8649 -5.8649 -5.8639 -5.8639 -5.5644 -5.5644 -5.5638 -5.5638 -5.4871 -5.4871 -5.4869 -5.4869 -5.3053 -5.3053 -5.3035 -5.3035 -4.8707 -4.8707 -4.8706 -4.8706 -4.7792 -4.7792 -4.7772 -4.7772 -4.5636 -4.5636 -4.5632 -4.5632 -4.3525 -4.3525 -4.3521 -4.3521 -1.9352 -1.9352 -1.9347 -1.9347 0.5977 0.5979 k = 0.1458 0.5396 0.1286 ( 17150 PWs) bands (ev): -23.7829 -23.7829 -23.7821 -23.7821 -23.0397 -23.0397 -23.0387 -23.0387 -21.8553 -21.8553 -21.8551 -21.8551 -21.5420 -21.5420 -21.5420 -21.5420 -14.3649 -14.3649 -14.3642 -14.3642 -10.9247 -10.9247 -10.9243 -10.9243 -9.3881 -9.3881 -9.3876 -9.3876 -9.3037 -9.3037 -9.3033 -9.3033 -8.5033 -8.5033 -8.5029 -8.5029 -8.4131 -8.4131 -8.4125 -8.4125 -7.0096 -7.0096 -7.0090 -7.0090 -5.8645 -5.8645 -5.8634 -5.8634 -5.5632 -5.5632 -5.5625 -5.5625 -5.4884 -5.4884 -5.4882 -5.4882 -5.3051 -5.3051 -5.3030 -5.3030 -4.8669 -4.8669 -4.8666 -4.8666 -4.7786 -4.7786 -4.7763 -4.7763 -4.5632 -4.5632 -4.5628 -4.5628 -4.3577 -4.3577 -4.3572 -4.3572 -1.9351 -1.9351 -1.9346 -1.9346 0.5973 0.5975 k = 0.1667 0.5396 0.1286 ( 17156 PWs) bands (ev): -23.7829 -23.7829 -23.7821 -23.7821 -23.0397 -23.0397 -23.0387 -23.0387 -21.8553 -21.8553 -21.8551 -21.8551 -21.5420 -21.5420 -21.5420 -21.5420 -14.3649 -14.3649 -14.3642 -14.3642 -10.9245 -10.9245 -10.9240 -10.9240 -9.3882 -9.3882 -9.3878 -9.3878 -9.3034 -9.3034 -9.3029 -9.3029 -8.5040 -8.5040 -8.5036 -8.5036 -8.4137 -8.4137 -8.4132 -8.4132 -7.0096 -7.0096 -7.0090 -7.0090 -5.8640 -5.8640 -5.8629 -5.8629 -5.5619 -5.5619 -5.5611 -5.5611 -5.4898 -5.4898 -5.4895 -5.4895 -5.3049 -5.3049 -5.3026 -5.3026 -4.8627 -4.8627 -4.8623 -4.8623 -4.7778 -4.7778 -4.7752 -4.7752 -4.5627 -4.5627 -4.5623 -4.5623 -4.3635 -4.3635 -4.3629 -4.3629 -1.9350 -1.9350 -1.9345 -1.9345 0.5968 0.5970 k = 0.1875 0.5396 0.1286 ( 17162 PWs) bands (ev): -23.7829 -23.7829 -23.7821 -23.7821 -23.0397 -23.0397 -23.0387 -23.0387 -21.8553 -21.8553 -21.8552 -21.8552 -21.5420 -21.5420 -21.5420 -21.5420 -14.3649 -14.3649 -14.3642 -14.3642 -10.9242 -10.9242 -10.9237 -10.9237 -9.3884 -9.3884 -9.3879 -9.3879 -9.3031 -9.3031 -9.3026 -9.3026 -8.5047 -8.5047 -8.5043 -8.5043 -8.4145 -8.4145 -8.4139 -8.4139 -7.0096 -7.0096 -7.0090 -7.0090 -5.8634 -5.8634 -5.8623 -5.8623 -5.5605 -5.5605 -5.5596 -5.5596 -5.4911 -5.4911 -5.4909 -5.4909 -5.3047 -5.3047 -5.3022 -5.3022 -4.8583 -4.8583 -4.8577 -4.8577 -4.7768 -4.7768 -4.7737 -4.7737 -4.5621 -4.5621 -4.5617 -4.5617 -4.3700 -4.3700 -4.3693 -4.3693 -1.9349 -1.9349 -1.9343 -1.9343 0.5966 0.5967 k = 0.2083 0.5396 0.1286 ( 17160 PWs) bands (ev): -23.7829 -23.7829 -23.7821 -23.7821 -23.0397 -23.0397 -23.0387 -23.0387 -21.8554 -21.8554 -21.8552 -21.8552 -21.5420 -21.5420 -21.5420 -21.5420 -14.3650 -14.3650 -14.3643 -14.3643 -10.9239 -10.9239 -10.9235 -10.9235 -9.3885 -9.3885 -9.3880 -9.3880 -9.3027 -9.3027 -9.3023 -9.3023 -8.5054 -8.5054 -8.5050 -8.5050 -8.4152 -8.4152 -8.4146 -8.4146 -7.0096 -7.0096 -7.0090 -7.0090 -5.8629 -5.8629 -5.8617 -5.8617 -5.5591 -5.5591 -5.5581 -5.5581 -5.4925 -5.4925 -5.4922 -5.4922 -5.3045 -5.3045 -5.3018 -5.3018 -4.8539 -4.8539 -4.8531 -4.8531 -4.7753 -4.7753 -4.7717 -4.7717 -4.5613 -4.5613 -4.5610 -4.5610 -4.3771 -4.3771 -4.3763 -4.3763 -1.9347 -1.9347 -1.9342 -1.9342 0.5959 0.5959 k = 0.2292 0.5396 0.1286 ( 17156 PWs) bands (ev): -23.7829 -23.7829 -23.7821 -23.7821 -23.0397 -23.0397 -23.0387 -23.0387 -21.8554 -21.8554 -21.8552 -21.8552 -21.5420 -21.5420 -21.5419 -21.5419 -14.3650 -14.3650 -14.3643 -14.3643 -10.9236 -10.9236 -10.9231 -10.9231 -9.3886 -9.3886 -9.3882 -9.3882 -9.3024 -9.3024 -9.3019 -9.3019 -8.5062 -8.5062 -8.5058 -8.5058 -8.4160 -8.4160 -8.4154 -8.4154 -7.0096 -7.0096 -7.0090 -7.0090 -5.8623 -5.8623 -5.8611 -5.8611 -5.5577 -5.5577 -5.5566 -5.5566 -5.4939 -5.4939 -5.4935 -5.4935 -5.3043 -5.3043 -5.3014 -5.3014 -4.8496 -4.8496 -4.8485 -4.8485 -4.7734 -4.7734 -4.7693 -4.7693 -4.5605 -4.5605 -4.5601 -4.5601 -4.3847 -4.3847 -4.3838 -4.3838 -1.9346 -1.9346 -1.9340 -1.9340 0.5954 0.5956 k = 0.2500 0.5396 0.1286 ( 17154 PWs) bands (ev): -23.7829 -23.7829 -23.7821 -23.7821 -23.0397 -23.0397 -23.0387 -23.0387 -21.8554 -21.8554 -21.8552 -21.8552 -21.5420 -21.5420 -21.5419 -21.5419 -14.3651 -14.3651 -14.3644 -14.3644 -10.9233 -10.9233 -10.9228 -10.9228 -9.3888 -9.3888 -9.3883 -9.3883 -9.3020 -9.3020 -9.3015 -9.3015 -8.5069 -8.5069 -8.5065 -8.5065 -8.4167 -8.4167 -8.4162 -8.4162 -7.0096 -7.0096 -7.0090 -7.0090 -5.8617 -5.8617 -5.8605 -5.8605 -5.5563 -5.5563 -5.5552 -5.5552 -5.4951 -5.4951 -5.4947 -5.4947 -5.3041 -5.3041 -5.3011 -5.3011 -4.8456 -4.8456 -4.8442 -4.8442 -4.7709 -4.7709 -4.7664 -4.7664 -4.5594 -4.5594 -4.5591 -4.5591 -4.3928 -4.3928 -4.3918 -4.3918 -1.9344 -1.9344 -1.9339 -1.9339 0.5948 0.5950 k = 0.2708 0.5396 0.1286 ( 17142 PWs) bands (ev): -23.7829 -23.7829 -23.7821 -23.7821 -23.0397 -23.0397 -23.0387 -23.0387 -21.8554 -21.8554 -21.8553 -21.8553 -21.5419 -21.5419 -21.5419 -21.5419 -14.3651 -14.3651 -14.3644 -14.3644 -10.9230 -10.9230 -10.9225 -10.9225 -9.3889 -9.3889 -9.3885 -9.3885 -9.3017 -9.3017 -9.3012 -9.3012 -8.5077 -8.5077 -8.5073 -8.5073 -8.4175 -8.4175 -8.4170 -8.4170 -7.0097 -7.0097 -7.0090 -7.0090 -5.8611 -5.8611 -5.8598 -5.8598 -5.5550 -5.5550 -5.5538 -5.5538 -5.4962 -5.4962 -5.4958 -5.4958 -5.3040 -5.3040 -5.3008 -5.3008 -4.8418 -4.8418 -4.8402 -4.8402 -4.7679 -4.7679 -4.7629 -4.7629 -4.5582 -4.5582 -4.5579 -4.5579 -4.4014 -4.4014 -4.4002 -4.4002 -1.9343 -1.9343 -1.9337 -1.9337 0.5944 0.5946 k = 0.2917 0.5396 0.1286 ( 17152 PWs) bands (ev): -23.7829 -23.7829 -23.7820 -23.7820 -23.0397 -23.0397 -23.0387 -23.0387 -21.8555 -21.8555 -21.8553 -21.8553 -21.5419 -21.5419 -21.5419 -21.5419 -14.3652 -14.3652 -14.3645 -14.3645 -10.9227 -10.9227 -10.9222 -10.9222 -9.3891 -9.3891 -9.3886 -9.3886 -9.3013 -9.3013 -9.3008 -9.3008 -8.5085 -8.5085 -8.5081 -8.5081 -8.4183 -8.4183 -8.4178 -8.4178 -7.0097 -7.0097 -7.0090 -7.0090 -5.8605 -5.8605 -5.8592 -5.8592 -5.5538 -5.5538 -5.5525 -5.5525 -5.4972 -5.4972 -5.4967 -5.4967 -5.3039 -5.3039 -5.3005 -5.3005 -4.8385 -4.8385 -4.8367 -4.8367 -4.7643 -4.7643 -4.7589 -4.7589 -4.5568 -4.5568 -4.5564 -4.5564 -4.4102 -4.4102 -4.4089 -4.4089 -1.9341 -1.9341 -1.9335 -1.9335 0.5939 0.5940 k = 0.3125 0.5396 0.1286 ( 17148 PWs) bands (ev): -23.7828 -23.7828 -23.7820 -23.7820 -23.0397 -23.0397 -23.0387 -23.0387 -21.8555 -21.8555 -21.8553 -21.8553 -21.5419 -21.5419 -21.5419 -21.5419 -14.3652 -14.3652 -14.3645 -14.3645 -10.9224 -10.9224 -10.9219 -10.9219 -9.3892 -9.3892 -9.3887 -9.3887 -9.3009 -9.3009 -9.3005 -9.3005 -8.5092 -8.5092 -8.5088 -8.5088 -8.4191 -8.4191 -8.4185 -8.4185 -7.0097 -7.0097 -7.0090 -7.0090 -5.8599 -5.8599 -5.8586 -5.8586 -5.5527 -5.5527 -5.5514 -5.5514 -5.4980 -5.4980 -5.4975 -5.4975 -5.3038 -5.3038 -5.3003 -5.3003 -4.8357 -4.8357 -4.8337 -4.8337 -4.7603 -4.7603 -4.7545 -4.7545 -4.5551 -4.5551 -4.5548 -4.5548 -4.4193 -4.4193 -4.4178 -4.4178 -1.9340 -1.9340 -1.9334 -1.9334 0.5932 0.5933 k = 0.3333 0.5396 0.1286 ( 17162 PWs) bands (ev): -23.7828 -23.7828 -23.7820 -23.7820 -23.0397 -23.0397 -23.0387 -23.0387 -21.8555 -21.8555 -21.8554 -21.8554 -21.5419 -21.5419 -21.5419 -21.5419 -14.3653 -14.3653 -14.3646 -14.3646 -10.9221 -10.9221 -10.9217 -10.9217 -9.3893 -9.3893 -9.3888 -9.3888 -9.3006 -9.3006 -9.3001 -9.3001 -8.5099 -8.5099 -8.5095 -8.5095 -8.4198 -8.4198 -8.4192 -8.4192 -7.0097 -7.0097 -7.0090 -7.0090 -5.8594 -5.8594 -5.8580 -5.8580 -5.5517 -5.5517 -5.5504 -5.5504 -5.4987 -5.4987 -5.4981 -5.4981 -5.3037 -5.3037 -5.3002 -5.3002 -4.8333 -4.8333 -4.8313 -4.8313 -4.7558 -4.7558 -4.7497 -4.7497 -4.5531 -4.5531 -4.5529 -4.5529 -4.4286 -4.4286 -4.4268 -4.4268 -1.9339 -1.9339 -1.9332 -1.9332 0.5929 0.5930 k = 0.3542 0.5396 0.1286 ( 17160 PWs) bands (ev): -23.7828 -23.7828 -23.7820 -23.7820 -23.0397 -23.0397 -23.0387 -23.0387 -21.8555 -21.8555 -21.8554 -21.8554 -21.5419 -21.5419 -21.5419 -21.5419 -14.3653 -14.3653 -14.3646 -14.3646 -10.9219 -10.9219 -10.9214 -10.9214 -9.3894 -9.3894 -9.3890 -9.3890 -9.3003 -9.3003 -9.2998 -9.2998 -8.5105 -8.5105 -8.5101 -8.5101 -8.4204 -8.4204 -8.4199 -8.4199 -7.0097 -7.0097 -7.0090 -7.0090 -5.8589 -5.8589 -5.8575 -5.8575 -5.5510 -5.5510 -5.5496 -5.5496 -5.4992 -5.4992 -5.4986 -5.4986 -5.3037 -5.3037 -5.3001 -5.3001 -4.8314 -4.8314 -4.8293 -4.8293 -4.7512 -4.7512 -4.7448 -4.7448 -4.5508 -4.5508 -4.5506 -4.5506 -4.4378 -4.4378 -4.4359 -4.4359 -1.9337 -1.9337 -1.9331 -1.9331 0.5922 0.5925 k = 0.3750 0.5396 0.1286 ( 17156 PWs) bands (ev): -23.7828 -23.7828 -23.7820 -23.7820 -23.0397 -23.0397 -23.0387 -23.0387 -21.8556 -21.8556 -21.8554 -21.8554 -21.5419 -21.5419 -21.5419 -21.5419 -14.3654 -14.3654 -14.3647 -14.3647 -10.9216 -10.9216 -10.9212 -10.9212 -9.3895 -9.3895 -9.3891 -9.3891 -9.3000 -9.3000 -9.2996 -9.2996 -8.5111 -8.5111 -8.5107 -8.5107 -8.4210 -8.4210 -8.4205 -8.4205 -7.0097 -7.0097 -7.0090 -7.0090 -5.8584 -5.8584 -5.8570 -5.8570 -5.5503 -5.5503 -5.5489 -5.5489 -5.4995 -5.4995 -5.4989 -5.4989 -5.3037 -5.3037 -5.3000 -5.3000 -4.8299 -4.8299 -4.8277 -4.8277 -4.7465 -4.7465 -4.7399 -4.7399 -4.5483 -4.5483 -4.5480 -4.5480 -4.4470 -4.4470 -4.4447 -4.4447 -1.9336 -1.9336 -1.9330 -1.9330 0.5917 0.5920 k = 0.3958 0.5396 0.1286 ( 17166 PWs) bands (ev): -23.7828 -23.7828 -23.7820 -23.7820 -23.0397 -23.0397 -23.0387 -23.0387 -21.8556 -21.8556 -21.8554 -21.8554 -21.5419 -21.5419 -21.5419 -21.5419 -14.3654 -14.3654 -14.3647 -14.3647 -10.9214 -10.9214 -10.9210 -10.9210 -9.3896 -9.3896 -9.3892 -9.3892 -9.2998 -9.2998 -9.2993 -9.2993 -8.5116 -8.5116 -8.5112 -8.5112 -8.4216 -8.4216 -8.4210 -8.4210 -7.0097 -7.0097 -7.0090 -7.0090 -5.8580 -5.8580 -5.8566 -5.8566 -5.5498 -5.5498 -5.5484 -5.5484 -5.4997 -5.4997 -5.4991 -5.4991 -5.3037 -5.3037 -5.2999 -5.2999 -4.8288 -4.8288 -4.8266 -4.8266 -4.7421 -4.7421 -4.7353 -4.7353 -4.5455 -4.5455 -4.5451 -4.5451 -4.4558 -4.4558 -4.4532 -4.4532 -1.9335 -1.9335 -1.9329 -1.9329 0.5914 0.5917 k = 0.4167 0.5396 0.1286 ( 17176 PWs) bands (ev): -23.7828 -23.7828 -23.7820 -23.7820 -23.0397 -23.0397 -23.0387 -23.0387 -21.8556 -21.8556 -21.8554 -21.8554 -21.5419 -21.5419 -21.5419 -21.5419 -14.3654 -14.3654 -14.3647 -14.3647 -10.9212 -10.9212 -10.9208 -10.9208 -9.3897 -9.3897 -9.3892 -9.3892 -9.2996 -9.2996 -9.2991 -9.2991 -8.5120 -8.5120 -8.5116 -8.5116 -8.4220 -8.4220 -8.4215 -8.4215 -7.0097 -7.0097 -7.0090 -7.0090 -5.8577 -5.8577 -5.8563 -5.8563 -5.5494 -5.5494 -5.5480 -5.5480 -5.4998 -5.4998 -5.4992 -5.4992 -5.3037 -5.3037 -5.2999 -5.2999 -4.8279 -4.8279 -4.8257 -4.8257 -4.7381 -4.7381 -4.7312 -4.7312 -4.5426 -4.5426 -4.5420 -4.5420 -4.4640 -4.4640 -4.4611 -4.4611 -1.9334 -1.9334 -1.9328 -1.9328 0.5911 0.5914 k = 0.4375 0.5396 0.1286 ( 17160 PWs) bands (ev): -23.7828 -23.7828 -23.7820 -23.7820 -23.0397 -23.0397 -23.0387 -23.0387 -21.8556 -21.8556 -21.8554 -21.8554 -21.5419 -21.5419 -21.5419 -21.5419 -14.3654 -14.3654 -14.3648 -14.3648 -10.9211 -10.9211 -10.9206 -10.9206 -9.3898 -9.3898 -9.3893 -9.3893 -9.2994 -9.2994 -9.2990 -9.2990 -8.5123 -8.5123 -8.5119 -8.5119 -8.4224 -8.4224 -8.4218 -8.4218 -7.0097 -7.0097 -7.0090 -7.0090 -5.8574 -5.8574 -5.8560 -5.8560 -5.5491 -5.5491 -5.5477 -5.5477 -5.4998 -5.4998 -5.4993 -5.4993 -5.3037 -5.3037 -5.2999 -5.2999 -4.8273 -4.8273 -4.8251 -4.8251 -4.7347 -4.7347 -4.7278 -4.7278 -4.5397 -4.5397 -4.5387 -4.5387 -4.4714 -4.4714 -4.4680 -4.4680 -1.9333 -1.9333 -1.9327 -1.9327 0.5908 0.5910 k = 0.4583 0.5396 0.1286 ( 17174 PWs) bands (ev): -23.7828 -23.7828 -23.7820 -23.7820 -23.0397 -23.0397 -23.0387 -23.0387 -21.8556 -21.8556 -21.8554 -21.8554 -21.5419 -21.5419 -21.5419 -21.5419 -14.3655 -14.3655 -14.3648 -14.3648 -10.9210 -10.9210 -10.9205 -10.9205 -9.3898 -9.3898 -9.3893 -9.3893 -9.2993 -9.2993 -9.2988 -9.2988 -8.5126 -8.5126 -8.5122 -8.5122 -8.4226 -8.4226 -8.4221 -8.4221 -7.0097 -7.0097 -7.0090 -7.0090 -5.8572 -5.8572 -5.8558 -5.8558 -5.5489 -5.5489 -5.5476 -5.5476 -5.4999 -5.4999 -5.4993 -5.4993 -5.3037 -5.3037 -5.2999 -5.2999 -4.8269 -4.8269 -4.8247 -4.8247 -4.7322 -4.7322 -4.7252 -4.7252 -4.5371 -4.5371 -4.5357 -4.5357 -4.4775 -4.4775 -4.4737 -4.4737 -1.9333 -1.9333 -1.9326 -1.9326 0.5907 0.5911 k = 0.4792 0.5396 0.1286 ( 17166 PWs) bands (ev): -23.7828 -23.7828 -23.7820 -23.7820 -23.0397 -23.0397 -23.0387 -23.0387 -21.8556 -21.8556 -21.8555 -21.8555 -21.5419 -21.5419 -21.5419 -21.5419 -14.3655 -14.3655 -14.3648 -14.3648 -10.9209 -10.9209 -10.9205 -10.9205 -9.3898 -9.3898 -9.3894 -9.3894 -9.2993 -9.2993 -9.2988 -9.2988 -8.5127 -8.5127 -8.5123 -8.5123 -8.4228 -8.4228 -8.4222 -8.4222 -7.0097 -7.0097 -7.0090 -7.0090 -5.8571 -5.8571 -5.8557 -5.8557 -5.5488 -5.5488 -5.5475 -5.5475 -5.4998 -5.4998 -5.4993 -5.4993 -5.3038 -5.3038 -5.2998 -5.2998 -4.8267 -4.8267 -4.8245 -4.8245 -4.7307 -4.7307 -4.7236 -4.7236 -4.5352 -4.5352 -4.5335 -4.5335 -4.4816 -4.4816 -4.4774 -4.4774 -1.9333 -1.9333 -1.9326 -1.9326 0.5907 0.5909 k = 0.5000 0.5396 0.1286 ( 17164 PWs) bands (ev): -23.7828 -23.7828 -23.7820 -23.7820 -23.0397 -23.0397 -23.0387 -23.0387 -21.8556 -21.8556 -21.8555 -21.8555 -21.5419 -21.5419 -21.5419 -21.5419 -14.3655 -14.3655 -14.3648 -14.3648 -10.9209 -10.9209 -10.9205 -10.9205 -9.3898 -9.3898 -9.3894 -9.3894 -9.2992 -9.2992 -9.2987 -9.2987 -8.5128 -8.5128 -8.5124 -8.5124 -8.4228 -8.4228 -8.4223 -8.4223 -7.0097 -7.0097 -7.0090 -7.0090 -5.8571 -5.8571 -5.8556 -5.8556 -5.5488 -5.5488 -5.5474 -5.5474 -5.4998 -5.4998 -5.4993 -5.4993 -5.3038 -5.3038 -5.2998 -5.2998 -4.8266 -4.8266 -4.8244 -4.8244 -4.7301 -4.7301 -4.7230 -4.7230 -4.5345 -4.5345 -4.5327 -4.5327 -4.4830 -4.4830 -4.4787 -4.4787 -1.9332 -1.9332 -1.9326 -1.9326 0.5906 0.5907 k = 0.5000 0.5396 0.1286 ( 17164 PWs) bands (ev): -23.7828 -23.7828 -23.7820 -23.7820 -23.0397 -23.0397 -23.0387 -23.0387 -21.8556 -21.8556 -21.8555 -21.8555 -21.5419 -21.5419 -21.5419 -21.5419 -14.3655 -14.3655 -14.3648 -14.3648 -10.9209 -10.9209 -10.9205 -10.9205 -9.3898 -9.3898 -9.3894 -9.3894 -9.2992 -9.2992 -9.2987 -9.2987 -8.5128 -8.5128 -8.5124 -8.5124 -8.4228 -8.4228 -8.4223 -8.4223 -7.0097 -7.0097 -7.0090 -7.0090 -5.8571 -5.8571 -5.8556 -5.8556 -5.5488 -5.5488 -5.5474 -5.5474 -5.4998 -5.4998 -5.4993 -5.4993 -5.3038 -5.3038 -5.2998 -5.2998 -4.8266 -4.8266 -4.8244 -4.8244 -4.7301 -4.7301 -4.7230 -4.7230 -4.5345 -4.5345 -4.5327 -4.5327 -4.4830 -4.4830 -4.4787 -4.4787 -1.9332 -1.9332 -1.9326 -1.9326 0.5908 0.5909 k = 0.5000 0.5443 0.1090 ( 17180 PWs) bands (ev): -23.7828 -23.7828 -23.7820 -23.7820 -23.0397 -23.0397 -23.0387 -23.0387 -21.8556 -21.8556 -21.8555 -21.8555 -21.5419 -21.5419 -21.5419 -21.5419 -14.3655 -14.3655 -14.3648 -14.3648 -10.9209 -10.9209 -10.9205 -10.9205 -9.3898 -9.3898 -9.3894 -9.3894 -9.2992 -9.2992 -9.2987 -9.2987 -8.5128 -8.5128 -8.5124 -8.5124 -8.4228 -8.4228 -8.4223 -8.4223 -7.0097 -7.0097 -7.0091 -7.0091 -5.8570 -5.8570 -5.8556 -5.8556 -5.5491 -5.5491 -5.5477 -5.5477 -5.4995 -5.4995 -5.4989 -5.4989 -5.3039 -5.3039 -5.3000 -5.3000 -4.8261 -4.8261 -4.8240 -4.8240 -4.7304 -4.7304 -4.7233 -4.7233 -4.5359 -4.5359 -4.5339 -4.5339 -4.4818 -4.4818 -4.4776 -4.4776 -1.9333 -1.9333 -1.9326 -1.9326 0.5905 0.5908 k = 0.5000 0.5490 0.0894 ( 17184 PWs) bands (ev): -23.7828 -23.7828 -23.7820 -23.7820 -23.0397 -23.0397 -23.0387 -23.0387 -21.8556 -21.8556 -21.8555 -21.8555 -21.5419 -21.5419 -21.5419 -21.5419 -14.3655 -14.3655 -14.3648 -14.3648 -10.9209 -10.9209 -10.9205 -10.9205 -9.3898 -9.3898 -9.3894 -9.3894 -9.2992 -9.2992 -9.2987 -9.2987 -8.5128 -8.5128 -8.5124 -8.5124 -8.4228 -8.4228 -8.4222 -8.4222 -7.0097 -7.0097 -7.0091 -7.0091 -5.8569 -5.8569 -5.8555 -5.8555 -5.5499 -5.5499 -5.5486 -5.5486 -5.4985 -5.4985 -5.4979 -5.4979 -5.3044 -5.3044 -5.3006 -5.3006 -4.8248 -4.8248 -4.8227 -4.8227 -4.7310 -4.7310 -4.7240 -4.7240 -4.5394 -4.5394 -4.5373 -4.5373 -4.4786 -4.4786 -4.4747 -4.4747 -1.9334 -1.9334 -1.9327 -1.9327 0.5906 0.5907 k = 0.5000 0.5536 0.0698 ( 17194 PWs) bands (ev): -23.7828 -23.7828 -23.7820 -23.7820 -23.0397 -23.0397 -23.0387 -23.0387 -21.8556 -21.8556 -21.8555 -21.8555 -21.5419 -21.5419 -21.5419 -21.5419 -14.3655 -14.3655 -14.3648 -14.3648 -10.9209 -10.9209 -10.9205 -10.9205 -9.3898 -9.3898 -9.3894 -9.3894 -9.2992 -9.2992 -9.2988 -9.2988 -8.5129 -8.5129 -8.5125 -8.5125 -8.4227 -8.4227 -8.4221 -8.4221 -7.0098 -7.0098 -7.0091 -7.0091 -5.8568 -5.8568 -5.8554 -5.8554 -5.5511 -5.5511 -5.5499 -5.5499 -5.4969 -5.4969 -5.4962 -5.4962 -5.3051 -5.3051 -5.3014 -5.3014 -4.8227 -4.8227 -4.8206 -4.8206 -4.7320 -4.7320 -4.7252 -4.7252 -4.5445 -4.5445 -4.5421 -4.5421 -4.4741 -4.4741 -4.4706 -4.4706 -1.9335 -1.9335 -1.9328 -1.9328 0.5908 0.5910 k = 0.5000 0.5583 0.0502 ( 17192 PWs) bands (ev): -23.7828 -23.7828 -23.7820 -23.7820 -23.0397 -23.0397 -23.0387 -23.0387 -21.8556 -21.8556 -21.8554 -21.8554 -21.5419 -21.5419 -21.5419 -21.5419 -14.3655 -14.3655 -14.3648 -14.3648 -10.9209 -10.9209 -10.9205 -10.9205 -9.3898 -9.3898 -9.3894 -9.3894 -9.2992 -9.2992 -9.2988 -9.2988 -8.5129 -8.5129 -8.5125 -8.5125 -8.4225 -8.4225 -8.4220 -8.4220 -7.0098 -7.0098 -7.0092 -7.0092 -5.8566 -5.8566 -5.8553 -5.8553 -5.5526 -5.5526 -5.5515 -5.5515 -5.4949 -5.4949 -5.4942 -5.4942 -5.3060 -5.3060 -5.3025 -5.3025 -4.8198 -4.8198 -4.8178 -4.8178 -4.7334 -4.7334 -4.7268 -4.7268 -4.5505 -4.5505 -4.5479 -4.5479 -4.4688 -4.4688 -4.4658 -4.4658 -1.9337 -1.9337 -1.9330 -1.9330 0.5908 0.5911 k = 0.5000 0.5630 0.0306 ( 17186 PWs) bands (ev): -23.7828 -23.7828 -23.7820 -23.7820 -23.0397 -23.0397 -23.0387 -23.0387 -21.8556 -21.8556 -21.8554 -21.8554 -21.5419 -21.5419 -21.5419 -21.5419 -14.3655 -14.3655 -14.3648 -14.3648 -10.9210 -10.9210 -10.9205 -10.9205 -9.3898 -9.3898 -9.3894 -9.3894 -9.2992 -9.2992 -9.2988 -9.2988 -8.5130 -8.5130 -8.5126 -8.5126 -8.4224 -8.4224 -8.4218 -8.4218 -7.0099 -7.0099 -7.0093 -7.0093 -5.8564 -5.8564 -5.8551 -5.8551 -5.5543 -5.5543 -5.5533 -5.5533 -5.4927 -5.4927 -5.4919 -5.4919 -5.3071 -5.3071 -5.3039 -5.3039 -4.8164 -4.8164 -4.8144 -4.8144 -4.7349 -4.7349 -4.7287 -4.7287 -4.5568 -4.5568 -4.5542 -4.5542 -4.4634 -4.4634 -4.4609 -4.4609 -1.9339 -1.9339 -1.9332 -1.9332 0.5908 0.5910 k = 0.5000 0.5676 0.0110 ( 17188 PWs) bands (ev): -23.7828 -23.7828 -23.7820 -23.7820 -23.0397 -23.0397 -23.0387 -23.0387 -21.8556 -21.8556 -21.8554 -21.8554 -21.5419 -21.5419 -21.5419 -21.5419 -14.3655 -14.3655 -14.3648 -14.3648 -10.9210 -10.9210 -10.9205 -10.9205 -9.3898 -9.3898 -9.3893 -9.3893 -9.2993 -9.2993 -9.2988 -9.2988 -8.5131 -8.5131 -8.5127 -8.5127 -8.4222 -8.4222 -8.4216 -8.4216 -7.0100 -7.0100 -7.0094 -7.0094 -5.8561 -5.8561 -5.8549 -5.8549 -5.5560 -5.5560 -5.5552 -5.5552 -5.4904 -5.4904 -5.4896 -5.4896 -5.3083 -5.3083 -5.3054 -5.3054 -4.8126 -4.8126 -4.8108 -4.8108 -4.7364 -4.7364 -4.7307 -4.7307 -4.5633 -4.5633 -4.5606 -4.5606 -4.4581 -4.4581 -4.4560 -4.4560 -1.9341 -1.9341 -1.9335 -1.9335 0.5910 0.5912 k = 0.5000 0.5723-0.0086 ( 17174 PWs) bands (ev): -23.7828 -23.7828 -23.7820 -23.7820 -23.0397 -23.0397 -23.0387 -23.0387 -21.8556 -21.8556 -21.8554 -21.8554 -21.5419 -21.5419 -21.5419 -21.5419 -14.3655 -14.3655 -14.3648 -14.3648 -10.9210 -10.9210 -10.9205 -10.9205 -9.3898 -9.3898 -9.3893 -9.3893 -9.2993 -9.2993 -9.2988 -9.2988 -8.5132 -8.5132 -8.5128 -8.5128 -8.4219 -8.4219 -8.4214 -8.4214 -7.0101 -7.0101 -7.0095 -7.0095 -5.8559 -5.8559 -5.8547 -5.8547 -5.5576 -5.5576 -5.5570 -5.5570 -5.4881 -5.4881 -5.4874 -5.4874 -5.3095 -5.3095 -5.3069 -5.3069 -4.8086 -4.8086 -4.8071 -4.8071 -4.7377 -4.7377 -4.7326 -4.7326 -4.5696 -4.5696 -4.5670 -4.5670 -4.4531 -4.4531 -4.4514 -4.4514 -1.9343 -1.9343 -1.9337 -1.9337 0.5911 0.5915 k = 0.5000 0.5770-0.0282 ( 17158 PWs) bands (ev): -23.7828 -23.7828 -23.7820 -23.7820 -23.0397 -23.0397 -23.0387 -23.0387 -21.8556 -21.8556 -21.8554 -21.8554 -21.5419 -21.5419 -21.5419 -21.5419 -14.3655 -14.3655 -14.3648 -14.3648 -10.9210 -10.9210 -10.9205 -10.9205 -9.3898 -9.3898 -9.3893 -9.3893 -9.2993 -9.2993 -9.2988 -9.2988 -8.5133 -8.5133 -8.5129 -8.5129 -8.4217 -8.4217 -8.4212 -8.4212 -7.0102 -7.0102 -7.0096 -7.0096 -5.8556 -5.8556 -5.8545 -5.8545 -5.5591 -5.5591 -5.5586 -5.5586 -5.4861 -5.4861 -5.4853 -5.4853 -5.3106 -5.3106 -5.3084 -5.3084 -4.8050 -4.8050 -4.8038 -4.8038 -4.7384 -4.7384 -4.7342 -4.7342 -4.5757 -4.5757 -4.5732 -4.5732 -4.4485 -4.4485 -4.4472 -4.4472 -1.9346 -1.9346 -1.9340 -1.9340 0.5913 0.5914 k = 0.5000 0.5770-0.0282 ( 17158 PWs) bands (ev): -23.7828 -23.7828 -23.7820 -23.7820 -23.0397 -23.0397 -23.0387 -23.0387 -21.8556 -21.8556 -21.8554 -21.8554 -21.5419 -21.5419 -21.5419 -21.5419 -14.3655 -14.3655 -14.3648 -14.3648 -10.9210 -10.9210 -10.9205 -10.9205 -9.3898 -9.3898 -9.3893 -9.3893 -9.2993 -9.2993 -9.2988 -9.2988 -8.5133 -8.5133 -8.5129 -8.5129 -8.4217 -8.4217 -8.4212 -8.4212 -7.0102 -7.0102 -7.0096 -7.0096 -5.8556 -5.8556 -5.8545 -5.8545 -5.5591 -5.5591 -5.5586 -5.5586 -5.4861 -5.4861 -5.4853 -5.4853 -5.3106 -5.3106 -5.3084 -5.3084 -4.8050 -4.8050 -4.8038 -4.8038 -4.7384 -4.7384 -4.7342 -4.7342 -4.5757 -4.5757 -4.5732 -4.5732 -4.4485 -4.4485 -4.4472 -4.4472 -1.9346 -1.9346 -1.9340 -1.9340 0.5912 0.5916 k = 0.5000 0.5716-0.0466 ( 17162 PWs) bands (ev): -23.7828 -23.7828 -23.7820 -23.7820 -23.0397 -23.0397 -23.0387 -23.0387 -21.8556 -21.8556 -21.8554 -21.8554 -21.5419 -21.5419 -21.5419 -21.5419 -14.3655 -14.3655 -14.3648 -14.3648 -10.9210 -10.9210 -10.9205 -10.9205 -9.3898 -9.3898 -9.3893 -9.3893 -9.2992 -9.2992 -9.2988 -9.2988 -8.5134 -8.5134 -8.5130 -8.5130 -8.4217 -8.4217 -8.4211 -8.4211 -7.0102 -7.0102 -7.0096 -7.0096 -5.8554 -5.8554 -5.8543 -5.8543 -5.5600 -5.5600 -5.5595 -5.5595 -5.4845 -5.4845 -5.4839 -5.4839 -5.3115 -5.3115 -5.3096 -5.3096 -4.8030 -4.8030 -4.8020 -4.8020 -4.7368 -4.7368 -4.7330 -4.7330 -4.5813 -4.5813 -4.5790 -4.5790 -4.4456 -4.4456 -4.4445 -4.4445 -1.9346 -1.9346 -1.9341 -1.9341 0.5913 0.5915 k = 0.5000 0.5663-0.0650 ( 17158 PWs) bands (ev): -23.7828 -23.7828 -23.7820 -23.7820 -23.0397 -23.0397 -23.0387 -23.0387 -21.8556 -21.8556 -21.8554 -21.8554 -21.5419 -21.5419 -21.5419 -21.5419 -14.3655 -14.3655 -14.3648 -14.3648 -10.9210 -10.9210 -10.9205 -10.9205 -9.3898 -9.3898 -9.3894 -9.3894 -9.2992 -9.2992 -9.2988 -9.2988 -8.5136 -8.5136 -8.5132 -8.5132 -8.4216 -8.4216 -8.4211 -8.4211 -7.0103 -7.0103 -7.0096 -7.0096 -5.8552 -5.8552 -5.8542 -5.8542 -5.5607 -5.5607 -5.5604 -5.5604 -5.4832 -5.4832 -5.4826 -5.4826 -5.3122 -5.3122 -5.3106 -5.3106 -4.8013 -4.8013 -4.8005 -4.8005 -4.7351 -4.7351 -4.7318 -4.7318 -4.5863 -4.5863 -4.5843 -4.5843 -4.4430 -4.4430 -4.4421 -4.4421 -1.9347 -1.9347 -1.9342 -1.9342 0.5913 0.5913 k = 0.5000 0.5610-0.0833 ( 17158 PWs) bands (ev): -23.7828 -23.7828 -23.7820 -23.7820 -23.0397 -23.0397 -23.0387 -23.0387 -21.8556 -21.8556 -21.8554 -21.8554 -21.5419 -21.5419 -21.5419 -21.5419 -14.3655 -14.3655 -14.3648 -14.3648 -10.9209 -10.9209 -10.9205 -10.9205 -9.3899 -9.3899 -9.3894 -9.3894 -9.2992 -9.2992 -9.2987 -9.2987 -8.5137 -8.5137 -8.5133 -8.5133 -8.4216 -8.4216 -8.4210 -8.4210 -7.0103 -7.0103 -7.0097 -7.0097 -5.8550 -5.8550 -5.8540 -5.8540 -5.5614 -5.5614 -5.5611 -5.5611 -5.4820 -5.4820 -5.4815 -5.4815 -5.3129 -5.3129 -5.3115 -5.3115 -4.7999 -4.7999 -4.7992 -4.7992 -4.7333 -4.7333 -4.7305 -4.7305 -4.5907 -4.5907 -4.5889 -4.5889 -4.4408 -4.4408 -4.4401 -4.4401 -1.9348 -1.9348 -1.9342 -1.9342 0.5913 0.5915 k = 0.5000 0.5556-0.1017 ( 17154 PWs) bands (ev): -23.7828 -23.7828 -23.7820 -23.7820 -23.0397 -23.0397 -23.0387 -23.0387 -21.8556 -21.8556 -21.8555 -21.8555 -21.5419 -21.5419 -21.5419 -21.5419 -14.3655 -14.3655 -14.3648 -14.3648 -10.9209 -10.9209 -10.9205 -10.9205 -9.3899 -9.3899 -9.3894 -9.3894 -9.2992 -9.2992 -9.2987 -9.2987 -8.5138 -8.5138 -8.5134 -8.5134 -8.4215 -8.4215 -8.4210 -8.4210 -7.0103 -7.0103 -7.0097 -7.0097 -5.8549 -5.8549 -5.8539 -5.8539 -5.5619 -5.5619 -5.5616 -5.5616 -5.4811 -5.4811 -5.4807 -5.4807 -5.3133 -5.3133 -5.3123 -5.3123 -4.7988 -4.7988 -4.7983 -4.7983 -4.7317 -4.7317 -4.7295 -4.7295 -4.5942 -4.5942 -4.5929 -4.5929 -4.4391 -4.4391 -4.4386 -4.4386 -1.9348 -1.9348 -1.9343 -1.9343 0.5913 0.5916 k = 0.5000 0.5503-0.1200 ( 17168 PWs) bands (ev): -23.7828 -23.7828 -23.7820 -23.7820 -23.0397 -23.0397 -23.0387 -23.0387 -21.8556 -21.8556 -21.8555 -21.8555 -21.5419 -21.5419 -21.5419 -21.5419 -14.3655 -14.3655 -14.3648 -14.3648 -10.9209 -10.9209 -10.9205 -10.9205 -9.3899 -9.3899 -9.3894 -9.3894 -9.2992 -9.2992 -9.2987 -9.2987 -8.5139 -8.5139 -8.5135 -8.5135 -8.4215 -8.4215 -8.4209 -8.4209 -7.0103 -7.0103 -7.0097 -7.0097 -5.8548 -5.8548 -5.8538 -5.8538 -5.5622 -5.5622 -5.5620 -5.5620 -5.4804 -5.4804 -5.4801 -5.4801 -5.3136 -5.3136 -5.3129 -5.3129 -4.7980 -4.7980 -4.7977 -4.7977 -4.7303 -4.7303 -4.7287 -4.7287 -4.5968 -4.5968 -4.5959 -4.5959 -4.4379 -4.4379 -4.4375 -4.4375 -1.9348 -1.9348 -1.9343 -1.9343 0.5914 0.5916 k = 0.5000 0.5450-0.1384 ( 17178 PWs) bands (ev): -23.7828 -23.7828 -23.7820 -23.7820 -23.0397 -23.0397 -23.0387 -23.0387 -21.8556 -21.8556 -21.8555 -21.8555 -21.5419 -21.5419 -21.5419 -21.5419 -14.3655 -14.3655 -14.3648 -14.3648 -10.9209 -10.9209 -10.9205 -10.9205 -9.3899 -9.3899 -9.3894 -9.3894 -9.2992 -9.2992 -9.2987 -9.2987 -8.5139 -8.5139 -8.5135 -8.5135 -8.4215 -8.4215 -8.4209 -8.4209 -7.0103 -7.0103 -7.0097 -7.0097 -5.8547 -5.8547 -5.8538 -5.8538 -5.5625 -5.5625 -5.5623 -5.5623 -5.4800 -5.4800 -5.4798 -5.4798 -5.3137 -5.3137 -5.3134 -5.3134 -4.7975 -4.7975 -4.7973 -4.7973 -4.7293 -4.7293 -4.7283 -4.7283 -4.5983 -4.5983 -4.5978 -4.5978 -4.4371 -4.4371 -4.4369 -4.4369 -1.9349 -1.9349 -1.9344 -1.9344 0.5914 0.5916 k = 0.5000 0.5396-0.1568 ( 17180 PWs) bands (ev): -23.7828 -23.7828 -23.7820 -23.7820 -23.0397 -23.0397 -23.0387 -23.0387 -21.8556 -21.8556 -21.8555 -21.8555 -21.5419 -21.5419 -21.5419 -21.5419 -14.3655 -14.3655 -14.3648 -14.3648 -10.9209 -10.9209 -10.9205 -10.9205 -9.3899 -9.3899 -9.3894 -9.3894 -9.2992 -9.2992 -9.2987 -9.2987 -8.5139 -8.5139 -8.5136 -8.5136 -8.4214 -8.4214 -8.4209 -8.4209 -7.0103 -7.0103 -7.0097 -7.0097 -5.8547 -5.8547 -5.8538 -5.8538 -5.5625 -5.5625 -5.5623 -5.5623 -5.4798 -5.4798 -5.4797 -5.4797 -5.3137 -5.3137 -5.3136 -5.3136 -4.7973 -4.7973 -4.7972 -4.7972 -4.7288 -4.7288 -4.7282 -4.7282 -4.5987 -4.5987 -4.5987 -4.5987 -4.4369 -4.4369 -4.4367 -4.4367 -1.9349 -1.9349 -1.9344 -1.9344 0.5914 0.5917 k = 0.5000 0.5396-0.1568 ( 17180 PWs) bands (ev): -23.7828 -23.7828 -23.7820 -23.7820 -23.0397 -23.0397 -23.0387 -23.0387 -21.8556 -21.8556 -21.8555 -21.8555 -21.5419 -21.5419 -21.5419 -21.5419 -14.3655 -14.3655 -14.3648 -14.3648 -10.9209 -10.9209 -10.9205 -10.9205 -9.3899 -9.3899 -9.3894 -9.3894 -9.2992 -9.2992 -9.2987 -9.2987 -8.5139 -8.5139 -8.5136 -8.5136 -8.4214 -8.4214 -8.4209 -8.4209 -7.0103 -7.0103 -7.0097 -7.0097 -5.8547 -5.8547 -5.8538 -5.8538 -5.5625 -5.5625 -5.5623 -5.5623 -5.4798 -5.4798 -5.4797 -5.4797 -5.3137 -5.3137 -5.3136 -5.3136 -4.7973 -4.7973 -4.7972 -4.7972 -4.7288 -4.7288 -4.7282 -4.7282 -4.5987 -4.5987 -4.5987 -4.5987 -4.4369 -4.4369 -4.4367 -4.4367 -1.9349 -1.9349 -1.9344 -1.9344 0.5915 0.5916 k = 0.4792 0.5396-0.1568 ( 17160 PWs) bands (ev): -23.7828 -23.7828 -23.7819 -23.7819 -23.0397 -23.0397 -23.0387 -23.0387 -21.8557 -21.8557 -21.8554 -21.8554 -21.5420 -21.5420 -21.5418 -21.5418 -14.3657 -14.3657 -14.3645 -14.3645 -10.9214 -10.9214 -10.9200 -10.9200 -9.3902 -9.3902 -9.3890 -9.3890 -9.3005 -9.3005 -9.2975 -9.2975 -8.5152 -8.5152 -8.5122 -8.5122 -8.4218 -8.4218 -8.4204 -8.4204 -7.0114 -7.0114 -7.0086 -7.0086 -5.8555 -5.8555 -5.8531 -5.8531 -5.5625 -5.5625 -5.5622 -5.5622 -5.4815 -5.4815 -5.4784 -5.4784 -5.3141 -5.3141 -5.3130 -5.3130 -4.8052 -4.8052 -4.7910 -4.7910 -4.7317 -4.7317 -4.7241 -4.7241 -4.6046 -4.6046 -4.5927 -4.5927 -4.4458 -4.4458 -4.4273 -4.4273 -1.9350 -1.9350 -1.9343 -1.9343 0.5913 0.5917 k = 0.4583 0.5396-0.1568 ( 17160 PWs) bands (ev): -23.7829 -23.7829 -23.7819 -23.7819 -23.0398 -23.0398 -23.0386 -23.0386 -21.8557 -21.8557 -21.8553 -21.8553 -21.5421 -21.5421 -21.5417 -21.5417 -14.3661 -14.3661 -14.3641 -14.3641 -10.9221 -10.9221 -10.9194 -10.9194 -9.3907 -9.3907 -9.3885 -9.3885 -9.3021 -9.3021 -9.2961 -9.2961 -8.5165 -8.5165 -8.5105 -8.5105 -8.4223 -8.4223 -8.4196 -8.4196 -7.0128 -7.0128 -7.0072 -7.0072 -5.8567 -5.8567 -5.8522 -5.8522 -5.5623 -5.5623 -5.5617 -5.5617 -5.4837 -5.4837 -5.4774 -5.4774 -5.3143 -5.3143 -5.3122 -5.3122 -4.8143 -4.8143 -4.7872 -4.7872 -4.7330 -4.7330 -4.7190 -4.7190 -4.6106 -4.6106 -4.5867 -4.5867 -4.4543 -4.4543 -4.4175 -4.4175 -1.9353 -1.9353 -1.9341 -1.9341 0.5913 0.5920 k = 0.4375 0.5396-0.1568 ( 17156 PWs) bands (ev): -23.7829 -23.7829 -23.7818 -23.7818 -23.0399 -23.0399 -23.0385 -23.0385 -21.8558 -21.8558 -21.8552 -21.8552 -21.5423 -21.5423 -21.5415 -21.5415 -14.3666 -14.3666 -14.3636 -14.3636 -10.9229 -10.9229 -10.9189 -10.9189 -9.3911 -9.3911 -9.3879 -9.3879 -9.3037 -9.3037 -9.2947 -9.2947 -8.5177 -8.5177 -8.5088 -8.5088 -8.4228 -8.4228 -8.4188 -8.4188 -7.0141 -7.0141 -7.0058 -7.0058 -5.8580 -5.8580 -5.8513 -5.8513 -5.5620 -5.5620 -5.5611 -5.5611 -5.4861 -5.4861 -5.4769 -5.4769 -5.3143 -5.3143 -5.3112 -5.3112 -4.8240 -4.8240 -4.7864 -4.7864 -4.7317 -4.7317 -4.7137 -4.7137 -4.6165 -4.6165 -4.5806 -4.5806 -4.4622 -4.4622 -4.4075 -4.4075 -1.9356 -1.9356 -1.9339 -1.9339 0.5917 0.5920 k = 0.4167 0.5396-0.1568 ( 17154 PWs) bands (ev): -23.7830 -23.7830 -23.7817 -23.7817 -23.0400 -23.0400 -23.0384 -23.0384 -21.8559 -21.8559 -21.8551 -21.8551 -21.5424 -21.5424 -21.5414 -21.5414 -14.3670 -14.3670 -14.3632 -14.3632 -10.9237 -10.9237 -10.9184 -10.9184 -9.3916 -9.3916 -9.3873 -9.3873 -9.3053 -9.3053 -9.2935 -9.2935 -8.5188 -8.5188 -8.5070 -8.5070 -8.4231 -8.4231 -8.4178 -8.4178 -7.0155 -7.0155 -7.0044 -7.0044 -5.8594 -5.8594 -5.8506 -5.8506 -5.5616 -5.5616 -5.5603 -5.5603 -5.4889 -5.4889 -5.4768 -5.4768 -5.3142 -5.3142 -5.3100 -5.3100 -4.8342 -4.8342 -4.7884 -4.7884 -4.7281 -4.7281 -4.7083 -4.7083 -4.6224 -4.6224 -4.5745 -4.5745 -4.4695 -4.4695 -4.3973 -4.3973 -1.9359 -1.9359 -1.9337 -1.9337 0.5922 0.5928 k = 0.3958 0.5396-0.1568 ( 17144 PWs) bands (ev): -23.7832 -23.7832 -23.7816 -23.7816 -23.0402 -23.0402 -23.0383 -23.0383 -21.8560 -21.8560 -21.8550 -21.8550 -21.5425 -21.5425 -21.5413 -21.5413 -14.3674 -14.3674 -14.3627 -14.3627 -10.9245 -10.9245 -10.9179 -10.9179 -9.3919 -9.3919 -9.3866 -9.3866 -9.3070 -9.3070 -9.2923 -9.2923 -8.5198 -8.5198 -8.5051 -8.5051 -8.4234 -8.4234 -8.4167 -8.4167 -7.0167 -7.0167 -7.0031 -7.0031 -5.8608 -5.8608 -5.8500 -5.8500 -5.5610 -5.5610 -5.5593 -5.5593 -5.4918 -5.4918 -5.4770 -5.4770 -5.3139 -5.3139 -5.3087 -5.3087 -4.8446 -4.8446 -4.7926 -4.7926 -4.7231 -4.7231 -4.7030 -4.7030 -4.6282 -4.6282 -4.5684 -4.5684 -4.4762 -4.4762 -4.3871 -4.3871 -1.9362 -1.9362 -1.9335 -1.9335 0.5916 0.5926 k = 0.3750 0.5396-0.1568 ( 17164 PWs) bands (ev): -23.7833 -23.7833 -23.7815 -23.7815 -23.0403 -23.0403 -23.0381 -23.0381 -21.8560 -21.8560 -21.8549 -21.8549 -21.5426 -21.5426 -21.5412 -21.5412 -14.3678 -14.3678 -14.3622 -14.3622 -10.9253 -10.9253 -10.9175 -10.9175 -9.3923 -9.3923 -9.3859 -9.3859 -9.3087 -9.3087 -9.2912 -9.2912 -8.5206 -8.5206 -8.5032 -8.5032 -8.4235 -8.4235 -8.4156 -8.4156 -7.0180 -7.0180 -7.0017 -7.0017 -5.8623 -5.8623 -5.8495 -5.8495 -5.5603 -5.5603 -5.5580 -5.5580 -5.4950 -5.4950 -5.4777 -5.4777 -5.3135 -5.3135 -5.3072 -5.3072 -4.8552 -4.8552 -4.7980 -4.7980 -4.7174 -4.7174 -4.6980 -4.6980 -4.6338 -4.6338 -4.5621 -4.5621 -4.4821 -4.4821 -4.3768 -4.3768 -1.9366 -1.9366 -1.9333 -1.9333 0.5927 0.5939 k = 0.3542 0.5396-0.1568 ( 17146 PWs) bands (ev): -23.7834 -23.7834 -23.7814 -23.7814 -23.0404 -23.0404 -23.0380 -23.0380 -21.8561 -21.8561 -21.8548 -21.8548 -21.5427 -21.5427 -21.5411 -21.5411 -14.3682 -14.3682 -14.3617 -14.3617 -10.9261 -10.9261 -10.9171 -10.9171 -9.3926 -9.3926 -9.3853 -9.3853 -9.3104 -9.3104 -9.2902 -9.2902 -8.5213 -8.5213 -8.5013 -8.5013 -8.4237 -8.4237 -8.4144 -8.4144 -7.0192 -7.0192 -7.0004 -7.0004 -5.8639 -5.8639 -5.8491 -5.8491 -5.5595 -5.5595 -5.5566 -5.5566 -5.4982 -5.4982 -5.4787 -5.4787 -5.3130 -5.3130 -5.3056 -5.3056 -4.8658 -4.8658 -4.8042 -4.8042 -4.7117 -4.7117 -4.6932 -4.6932 -4.6390 -4.6390 -4.5558 -4.5558 -4.4874 -4.4874 -4.3667 -4.3667 -1.9369 -1.9369 -1.9332 -1.9332 0.5926 0.5935 k = 0.3333 0.5396-0.1568 ( 17138 PWs) bands (ev): -23.7835 -23.7835 -23.7813 -23.7813 -23.0406 -23.0406 -23.0379 -23.0379 -21.8561 -21.8561 -21.8547 -21.8547 -21.5428 -21.5428 -21.5410 -21.5410 -14.3686 -14.3686 -14.3613 -14.3613 -10.9270 -10.9270 -10.9168 -10.9168 -9.3928 -9.3928 -9.3846 -9.3846 -9.3121 -9.3121 -9.2892 -9.2892 -8.5219 -8.5219 -8.4993 -8.4993 -8.4237 -8.4237 -8.4132 -8.4132 -7.0204 -7.0204 -6.9991 -6.9991 -5.8654 -5.8654 -5.8488 -5.8488 -5.5587 -5.5587 -5.5551 -5.5551 -5.5014 -5.5014 -5.4800 -5.4800 -5.3124 -5.3124 -5.3039 -5.3039 -4.8764 -4.8764 -4.8108 -4.8108 -4.7064 -4.7064 -4.6888 -4.6888 -4.6437 -4.6437 -4.5495 -4.5495 -4.4920 -4.4920 -4.3568 -4.3568 -1.9373 -1.9373 -1.9331 -1.9331 0.5923 0.5950 k = 0.3125 0.5396-0.1568 ( 17156 PWs) bands (ev): -23.7836 -23.7836 -23.7812 -23.7812 -23.0407 -23.0407 -23.0377 -23.0377 -21.8562 -21.8562 -21.8546 -21.8546 -21.5430 -21.5430 -21.5409 -21.5409 -14.3689 -14.3689 -14.3608 -14.3608 -10.9278 -10.9278 -10.9165 -10.9165 -9.3931 -9.3931 -9.3839 -9.3839 -9.3138 -9.3138 -9.2884 -9.2884 -8.5224 -8.5224 -8.4974 -8.4974 -8.4237 -8.4237 -8.4119 -8.4119 -7.0215 -7.0215 -6.9979 -6.9979 -5.8669 -5.8669 -5.8486 -5.8486 -5.5580 -5.5580 -5.5534 -5.5534 -5.5046 -5.5046 -5.4815 -5.4815 -5.3118 -5.3118 -5.3021 -5.3021 -4.8868 -4.8868 -4.8177 -4.8177 -4.7020 -4.7020 -4.6849 -4.6849 -4.6476 -4.6476 -4.5431 -4.5431 -4.4960 -4.4960 -4.3471 -4.3471 -1.9376 -1.9376 -1.9330 -1.9330 0.5935 0.5944 k = 0.2917 0.5396-0.1568 ( 17150 PWs) bands (ev): -23.7837 -23.7837 -23.7812 -23.7812 -23.0408 -23.0408 -23.0376 -23.0376 -21.8562 -21.8562 -21.8545 -21.8545 -21.5431 -21.5431 -21.5408 -21.5408 -14.3693 -14.3693 -14.3604 -14.3604 -10.9286 -10.9286 -10.9163 -10.9163 -9.3933 -9.3933 -9.3832 -9.3832 -9.3154 -9.3154 -9.2876 -9.2876 -8.5228 -8.5228 -8.4954 -8.4954 -8.4237 -8.4237 -8.4106 -8.4106 -7.0226 -7.0226 -6.9967 -6.9967 -5.8685 -5.8685 -5.8485 -5.8485 -5.5573 -5.5573 -5.5515 -5.5515 -5.5077 -5.5077 -5.4833 -5.4833 -5.3111 -5.3111 -5.3003 -5.3003 -4.8969 -4.8969 -4.8246 -4.8246 -4.6987 -4.6987 -4.6814 -4.6814 -4.6502 -4.6502 -4.5368 -4.5368 -4.4993 -4.4993 -4.3378 -4.3378 -1.9380 -1.9380 -1.9329 -1.9329 0.5961 0.5965 k = 0.2708 0.5396-0.1568 ( 17152 PWs) bands (ev): -23.7838 -23.7838 -23.7811 -23.7811 -23.0410 -23.0410 -23.0375 -23.0375 -21.8563 -21.8563 -21.8544 -21.8544 -21.5432 -21.5432 -21.5407 -21.5407 -14.3696 -14.3696 -14.3600 -14.3600 -10.9295 -10.9295 -10.9161 -10.9161 -9.3934 -9.3934 -9.3825 -9.3825 -9.3170 -9.3170 -9.2869 -9.2869 -8.5230 -8.5230 -8.4936 -8.4936 -8.4236 -8.4236 -8.4093 -8.4093 -7.0236 -7.0236 -6.9956 -6.9956 -5.8700 -5.8700 -5.8485 -5.8485 -5.5567 -5.5567 -5.5496 -5.5496 -5.5106 -5.5106 -5.4853 -5.4853 -5.3103 -5.3103 -5.2985 -5.2985 -4.9068 -4.9068 -4.8315 -4.8315 -4.6969 -4.6969 -4.6783 -4.6783 -4.6514 -4.6514 -4.5305 -4.5305 -4.5021 -4.5021 -4.3289 -4.3289 -1.9383 -1.9383 -1.9328 -1.9328 0.5952 0.5957 k = 0.2500 0.5396-0.1568 ( 17158 PWs) bands (ev): -23.7839 -23.7839 -23.7810 -23.7810 -23.0411 -23.0411 -23.0374 -23.0374 -21.8563 -21.8563 -21.8543 -21.8543 -21.5432 -21.5432 -21.5407 -21.5407 -14.3699 -14.3699 -14.3596 -14.3596 -10.9303 -10.9303 -10.9159 -10.9159 -9.3935 -9.3935 -9.3819 -9.3819 -9.3186 -9.3186 -9.2862 -9.2862 -8.5232 -8.5232 -8.4917 -8.4917 -8.4235 -8.4235 -8.4080 -8.4080 -7.0245 -7.0245 -6.9945 -6.9945 -5.8714 -5.8714 -5.8485 -5.8485 -5.5563 -5.5563 -5.5475 -5.5475 -5.5131 -5.5131 -5.4874 -5.4874 -5.3095 -5.3095 -5.2967 -5.2967 -4.9163 -4.9163 -4.8383 -4.8383 -4.6968 -4.6968 -4.6756 -4.6756 -4.6511 -4.6511 -4.5244 -4.5244 -4.5044 -4.5044 -4.3204 -4.3204 -1.9386 -1.9386 -1.9328 -1.9328 0.5940 0.5952 k = 0.2292 0.5396-0.1568 ( 17146 PWs) bands (ev): -23.7840 -23.7840 -23.7809 -23.7809 -23.0412 -23.0412 -23.0373 -23.0373 -21.8564 -21.8564 -21.8542 -21.8542 -21.5433 -21.5433 -21.5406 -21.5406 -14.3702 -14.3702 -14.3592 -14.3592 -10.9310 -10.9310 -10.9157 -10.9157 -9.3936 -9.3936 -9.3813 -9.3813 -9.3201 -9.3201 -9.2857 -9.2857 -8.5233 -8.5233 -8.4900 -8.4900 -8.4234 -8.4234 -8.4068 -8.4068 -7.0254 -7.0254 -6.9935 -6.9935 -5.8728 -5.8728 -5.8486 -5.8486 -5.5561 -5.5561 -5.5455 -5.5455 -5.5154 -5.5154 -5.4896 -5.4896 -5.3087 -5.3087 -5.2949 -5.2949 -4.9254 -4.9254 -4.8450 -4.8450 -4.6981 -4.6981 -4.6731 -4.6731 -4.6497 -4.6497 -4.5184 -4.5184 -4.5062 -4.5062 -4.3125 -4.3125 -1.9390 -1.9390 -1.9327 -1.9327 0.5950 0.5976 k = 0.2083 0.5396-0.1568 ( 17148 PWs) bands (ev): -23.7841 -23.7841 -23.7808 -23.7808 -23.0413 -23.0413 -23.0372 -23.0372 -21.8564 -21.8564 -21.8541 -21.8541 -21.5434 -21.5434 -21.5405 -21.5405 -14.3704 -14.3704 -14.3589 -14.3589 -10.9317 -10.9317 -10.9156 -10.9156 -9.3937 -9.3937 -9.3807 -9.3807 -9.3215 -9.3215 -9.2852 -9.2852 -8.5234 -8.5234 -8.4883 -8.4883 -8.4232 -8.4232 -8.4055 -8.4055 -7.0262 -7.0262 -6.9926 -6.9926 -5.8741 -5.8741 -5.8487 -5.8487 -5.5562 -5.5562 -5.5433 -5.5433 -5.5172 -5.5172 -5.4918 -5.4918 -5.3079 -5.3079 -5.2932 -5.2932 -4.9340 -4.9340 -4.8513 -4.8513 -4.7003 -4.7003 -4.6707 -4.6707 -4.6475 -4.6475 -4.5127 -4.5127 -4.5076 -4.5076 -4.3050 -4.3050 -1.9393 -1.9393 -1.9327 -1.9327 0.5964 0.5993 k = 0.1875 0.5396-0.1568 ( 17156 PWs) bands (ev): -23.7842 -23.7842 -23.7808 -23.7808 -23.0414 -23.0414 -23.0371 -23.0371 -21.8564 -21.8564 -21.8541 -21.8541 -21.5435 -21.5435 -21.5404 -21.5404 -14.3706 -14.3706 -14.3585 -14.3585 -10.9324 -10.9324 -10.9155 -10.9155 -9.3938 -9.3938 -9.3801 -9.3801 -9.3228 -9.3228 -9.2847 -9.2847 -8.5234 -8.5234 -8.4867 -8.4867 -8.4231 -8.4231 -8.4044 -8.4044 -7.0269 -7.0269 -6.9918 -6.9918 -5.8754 -5.8754 -5.8489 -5.8489 -5.5565 -5.5565 -5.5412 -5.5412 -5.5186 -5.5186 -5.4941 -5.4941 -5.3072 -5.3072 -5.2916 -5.2916 -4.9420 -4.9420 -4.8574 -4.8574 -4.7029 -4.7029 -4.6686 -4.6686 -4.6451 -4.6451 -4.5087 -4.5087 -4.5074 -4.5074 -4.2982 -4.2982 -1.9395 -1.9395 -1.9327 -1.9327 0.5952 0.5979 k = 0.1667 0.5396-0.1568 ( 17156 PWs) bands (ev): -23.7843 -23.7843 -23.7807 -23.7807 -23.0415 -23.0415 -23.0370 -23.0370 -21.8564 -21.8564 -21.8540 -21.8540 -21.5436 -21.5436 -21.5404 -21.5404 -14.3708 -14.3708 -14.3582 -14.3582 -10.9330 -10.9330 -10.9155 -10.9155 -9.3938 -9.3938 -9.3796 -9.3796 -9.3240 -9.3240 -9.2844 -9.2844 -8.5233 -8.5233 -8.4853 -8.4853 -8.4229 -8.4229 -8.4033 -8.4033 -7.0276 -7.0276 -6.9910 -6.9910 -5.8765 -5.8765 -5.8491 -5.8491 -5.5571 -5.5571 -5.5391 -5.5391 -5.5196 -5.5196 -5.4963 -5.4963 -5.3064 -5.3064 -5.2901 -5.2901 -4.9493 -4.9493 -4.8630 -4.8630 -4.7056 -4.7056 -4.6667 -4.6667 -4.6426 -4.6426 -4.5095 -4.5095 -4.5024 -4.5024 -4.2920 -4.2920 -1.9398 -1.9398 -1.9327 -1.9327 0.5954 0.5969 k = 0.1458 0.5396-0.1568 ( 17162 PWs) bands (ev): -23.7844 -23.7844 -23.7807 -23.7807 -23.0416 -23.0416 -23.0369 -23.0369 -21.8565 -21.8565 -21.8539 -21.8539 -21.5436 -21.5436 -21.5403 -21.5403 -14.3710 -14.3710 -14.3580 -14.3580 -10.9336 -10.9336 -10.9154 -10.9154 -9.3938 -9.3938 -9.3791 -9.3791 -9.3251 -9.3251 -9.2841 -9.2841 -8.5232 -8.5232 -8.4840 -8.4840 -8.4228 -8.4228 -8.4023 -8.4023 -7.0282 -7.0282 -6.9903 -6.9903 -5.8776 -5.8776 -5.8493 -5.8493 -5.5578 -5.5578 -5.5371 -5.5371 -5.5203 -5.5203 -5.4984 -5.4984 -5.3057 -5.3057 -5.2887 -5.2887 -4.9560 -4.9560 -4.8682 -4.8682 -4.7083 -4.7083 -4.6651 -4.6651 -4.6403 -4.6403 -4.5100 -4.5100 -4.4978 -4.4978 -4.2865 -4.2865 -1.9400 -1.9400 -1.9326 -1.9326 0.5961 0.5987 k = 0.1250 0.5396-0.1568 ( 17160 PWs) bands (ev): -23.7844 -23.7844 -23.7806 -23.7806 -23.0416 -23.0416 -23.0368 -23.0368 -21.8565 -21.8565 -21.8539 -21.8539 -21.5437 -21.5437 -21.5403 -21.5403 -14.3712 -14.3712 -14.3577 -14.3577 -10.9341 -10.9341 -10.9154 -10.9154 -9.3938 -9.3938 -9.3787 -9.3787 -9.3261 -9.3261 -9.2838 -9.2838 -8.5231 -8.5231 -8.4828 -8.4828 -8.4226 -8.4226 -8.4014 -8.4014 -7.0287 -7.0287 -6.9897 -6.9897 -5.8785 -5.8785 -5.8495 -5.8495 -5.5587 -5.5587 -5.5351 -5.5351 -5.5207 -5.5207 -5.5005 -5.5005 -5.3051 -5.3051 -5.2874 -5.2874 -4.9619 -4.9619 -4.8728 -4.8728 -4.7107 -4.7107 -4.6637 -4.6637 -4.6382 -4.6382 -4.5104 -4.5104 -4.4938 -4.4938 -4.2817 -4.2817 -1.9402 -1.9402 -1.9326 -1.9326 0.5965 0.5970 k = 0.1042 0.5396-0.1568 ( 17160 PWs) bands (ev): -23.7845 -23.7845 -23.7806 -23.7806 -23.0417 -23.0417 -23.0368 -23.0368 -21.8565 -21.8565 -21.8538 -21.8538 -21.5437 -21.5437 -21.5402 -21.5402 -14.3713 -14.3713 -14.3575 -14.3575 -10.9346 -10.9346 -10.9154 -10.9154 -9.3938 -9.3938 -9.3783 -9.3783 -9.3269 -9.3269 -9.2836 -9.2836 -8.5230 -8.5230 -8.4818 -8.4818 -8.4225 -8.4225 -8.4006 -8.4006 -7.0291 -7.0291 -6.9892 -6.9892 -5.8793 -5.8793 -5.8497 -5.8497 -5.5595 -5.5595 -5.5333 -5.5333 -5.5209 -5.5209 -5.5024 -5.5024 -5.3045 -5.3045 -5.2863 -5.2863 -4.9671 -4.9671 -4.8768 -4.8768 -4.7129 -4.7129 -4.6625 -4.6625 -4.6363 -4.6363 -4.5107 -4.5107 -4.4903 -4.4903 -4.2776 -4.2776 -1.9404 -1.9404 -1.9326 -1.9326 0.6003 0.6015 k = 0.0833 0.5396-0.1568 ( 17148 PWs) bands (ev): -23.7845 -23.7845 -23.7806 -23.7806 -23.0418 -23.0418 -23.0367 -23.0367 -21.8565 -21.8565 -21.8538 -21.8538 -21.5438 -21.5438 -21.5402 -21.5402 -14.3714 -14.3714 -14.3574 -14.3574 -10.9349 -10.9349 -10.9153 -10.9153 -9.3938 -9.3938 -9.3780 -9.3780 -9.3276 -9.3276 -9.2834 -9.2834 -8.5229 -8.5229 -8.4809 -8.4809 -8.4224 -8.4224 -8.3999 -8.3999 -7.0295 -7.0295 -6.9887 -6.9887 -5.8799 -5.8799 -5.8499 -5.8499 -5.5603 -5.5603 -5.5317 -5.5317 -5.5209 -5.5209 -5.5041 -5.5041 -5.3041 -5.3041 -5.2854 -5.2854 -4.9713 -4.9713 -4.8802 -4.8802 -4.7147 -4.7147 -4.6616 -4.6616 -4.6348 -4.6348 -4.5108 -4.5108 -4.4873 -4.4873 -4.2741 -4.2741 -1.9405 -1.9405 -1.9326 -1.9326 0.6013 0.6022 k = 0.0625 0.5396-0.1568 ( 17142 PWs) bands (ev): -23.7846 -23.7846 -23.7805 -23.7805 -23.0418 -23.0418 -23.0367 -23.0367 -21.8565 -21.8565 -21.8537 -21.8537 -21.5438 -21.5438 -21.5402 -21.5402 -14.3715 -14.3715 -14.3572 -14.3572 -10.9352 -10.9352 -10.9153 -10.9153 -9.3938 -9.3938 -9.3778 -9.3778 -9.3282 -9.3282 -9.2833 -9.2833 -8.5228 -8.5228 -8.4803 -8.4803 -8.4223 -8.4223 -8.3994 -8.3994 -7.0298 -7.0298 -6.9884 -6.9884 -5.8804 -5.8804 -5.8500 -5.8500 -5.5610 -5.5610 -5.5303 -5.5303 -5.5208 -5.5208 -5.5056 -5.5056 -5.3037 -5.3037 -5.2847 -5.2847 -4.9747 -4.9747 -4.8828 -4.8828 -4.7161 -4.7161 -4.6608 -4.6608 -4.6336 -4.6336 -4.5108 -4.5108 -4.4850 -4.4850 -4.2715 -4.2715 -1.9407 -1.9407 -1.9326 -1.9326 0.5980 0.6014 k = 0.0417 0.5396-0.1568 ( 17136 PWs) bands (ev): -23.7846 -23.7846 -23.7805 -23.7805 -23.0418 -23.0418 -23.0367 -23.0367 -21.8565 -21.8565 -21.8537 -21.8537 -21.5438 -21.5438 -21.5402 -21.5402 -14.3716 -14.3716 -14.3571 -14.3571 -10.9354 -10.9354 -10.9153 -10.9153 -9.3938 -9.3938 -9.3776 -9.3776 -9.3286 -9.3286 -9.2832 -9.2832 -8.5228 -8.5228 -8.4798 -8.4798 -8.4222 -8.4222 -8.3990 -8.3990 -7.0300 -7.0300 -6.9882 -6.9882 -5.8808 -5.8808 -5.8501 -5.8501 -5.5616 -5.5616 -5.5292 -5.5292 -5.5207 -5.5207 -5.5068 -5.5068 -5.3034 -5.3034 -5.2842 -5.2842 -4.9771 -4.9771 -4.8848 -4.8848 -4.7172 -4.7172 -4.6603 -4.6603 -4.6327 -4.6327 -4.5109 -4.5109 -4.4833 -4.4833 -4.2696 -4.2696 -1.9407 -1.9407 -1.9326 -1.9326 0.5991 0.6019 k = 0.0208 0.5396-0.1568 ( 17130 PWs) bands (ev): -23.7846 -23.7846 -23.7805 -23.7805 -23.0418 -23.0418 -23.0367 -23.0367 -21.8565 -21.8565 -21.8537 -21.8537 -21.5438 -21.5438 -21.5402 -21.5402 -14.3716 -14.3716 -14.3571 -14.3571 -10.9355 -10.9355 -10.9153 -10.9153 -9.3937 -9.3937 -9.3775 -9.3775 -9.3289 -9.3289 -9.2832 -9.2832 -8.5227 -8.5227 -8.4795 -8.4795 -8.4222 -8.4222 -8.3988 -8.3988 -7.0301 -7.0301 -6.9880 -6.9880 -5.8810 -5.8810 -5.8502 -5.8502 -5.5619 -5.5619 -5.5285 -5.5285 -5.5206 -5.5206 -5.5075 -5.5075 -5.3032 -5.3032 -5.2839 -5.2839 -4.9786 -4.9786 -4.8859 -4.8859 -4.7178 -4.7178 -4.6600 -4.6600 -4.6322 -4.6322 -4.5109 -4.5109 -4.4823 -4.4823 -4.2684 -4.2684 -1.9408 -1.9408 -1.9326 -1.9326 0.5972 0.5997 k = 0.0000 0.5396-0.1568 ( 17124 PWs) bands (ev): -23.7846 -23.7846 -23.7805 -23.7805 -23.0418 -23.0418 -23.0367 -23.0367 -21.8565 -21.8565 -21.8537 -21.8537 -21.5438 -21.5438 -21.5402 -21.5402 -14.3716 -14.3716 -14.3571 -14.3571 -10.9356 -10.9356 -10.9153 -10.9153 -9.3937 -9.3937 -9.3774 -9.3774 -9.3289 -9.3289 -9.2831 -9.2831 -8.5227 -8.5227 -8.4794 -8.4794 -8.4222 -8.4222 -8.3987 -8.3987 -7.0301 -7.0301 -6.9880 -6.9880 -5.8811 -5.8811 -5.8502 -5.8502 -5.5620 -5.5620 -5.5283 -5.5283 -5.5206 -5.5206 -5.5078 -5.5078 -5.3032 -5.3032 -5.2837 -5.2837 -4.9791 -4.9791 -4.8863 -4.8863 -4.7180 -4.7180 -4.6599 -4.6599 -4.6320 -4.6320 -4.5109 -4.5109 -4.4820 -4.4820 -4.2680 -4.2680 -1.9408 -1.9408 -1.9326 -1.9326 0.5978 0.6014 k = 0.0000 0.5396-0.1568 ( 17124 PWs) bands (ev): -23.7846 -23.7846 -23.7805 -23.7805 -23.0418 -23.0418 -23.0367 -23.0367 -21.8565 -21.8565 -21.8537 -21.8537 -21.5438 -21.5438 -21.5402 -21.5402 -14.3716 -14.3716 -14.3571 -14.3571 -10.9356 -10.9356 -10.9153 -10.9153 -9.3937 -9.3937 -9.3774 -9.3774 -9.3289 -9.3289 -9.2831 -9.2831 -8.5227 -8.5227 -8.4794 -8.4794 -8.4222 -8.4222 -8.3987 -8.3987 -7.0301 -7.0301 -6.9880 -6.9880 -5.8811 -5.8811 -5.8502 -5.8502 -5.5620 -5.5620 -5.5283 -5.5283 -5.5206 -5.5206 -5.5078 -5.5078 -5.3032 -5.3032 -5.2837 -5.2837 -4.9791 -4.9791 -4.8863 -4.8863 -4.7180 -4.7180 -4.6599 -4.6599 -4.6320 -4.6320 -4.5109 -4.5109 -4.4820 -4.4820 -4.2680 -4.2680 -1.9408 -1.9408 -1.9326 -1.9326 0.5979 0.6035 k = 0.0000 0.5450-0.1384 ( 17136 PWs) bands (ev): -23.7846 -23.7846 -23.7805 -23.7805 -23.0418 -23.0418 -23.0367 -23.0367 -21.8565 -21.8565 -21.8537 -21.8537 -21.5438 -21.5438 -21.5402 -21.5402 -14.3716 -14.3716 -14.3571 -14.3571 -10.9355 -10.9355 -10.9154 -10.9154 -9.3937 -9.3937 -9.3775 -9.3775 -9.3288 -9.3288 -9.2832 -9.2832 -8.5226 -8.5226 -8.4796 -8.4796 -8.4221 -8.4221 -8.3988 -8.3988 -7.0300 -7.0300 -6.9881 -6.9881 -5.8811 -5.8811 -5.8502 -5.8502 -5.5621 -5.5621 -5.5281 -5.5281 -5.5219 -5.5219 -5.5067 -5.5067 -5.3032 -5.3032 -5.2839 -5.2839 -4.9785 -4.9785 -4.8862 -4.8862 -4.7185 -4.7185 -4.6593 -4.6593 -4.6336 -4.6336 -4.5115 -4.5115 -4.4802 -4.4802 -4.2683 -4.2683 -1.9408 -1.9408 -1.9327 -1.9327 0.5977 0.6024 k = 0.0000 0.5503-0.1200 ( 17139 PWs) bands (ev): -23.7846 -23.7846 -23.7806 -23.7806 -23.0418 -23.0418 -23.0367 -23.0367 -21.8565 -21.8565 -21.8537 -21.8537 -21.5438 -21.5438 -21.5402 -21.5402 -14.3714 -14.3714 -14.3572 -14.3572 -10.9354 -10.9354 -10.9155 -10.9155 -9.3936 -9.3936 -9.3777 -9.3777 -9.3284 -9.3284 -9.2836 -9.2836 -8.5222 -8.5222 -8.4800 -8.4800 -8.4219 -8.4219 -8.3989 -8.3989 -7.0297 -7.0297 -6.9885 -6.9885 -5.8809 -5.8809 -5.8503 -5.8503 -5.5623 -5.5623 -5.5276 -5.5276 -5.5246 -5.5246 -5.5042 -5.5042 -5.3032 -5.3032 -5.2842 -5.2842 -4.9770 -4.9770 -4.8858 -4.8858 -4.7200 -4.7200 -4.6575 -4.6575 -4.6381 -4.6381 -4.5131 -4.5131 -4.4752 -4.4752 -4.2691 -4.2691 -1.9406 -1.9406 -1.9327 -1.9327 0.6012 0.6030 k = 0.0000 0.5556-0.1017 ( 17145 PWs) bands (ev): -23.7845 -23.7845 -23.7806 -23.7806 -23.0417 -23.0417 -23.0368 -23.0368 -21.8564 -21.8564 -21.8538 -21.8538 -21.5437 -21.5437 -21.5403 -21.5403 -14.3712 -14.3712 -14.3575 -14.3575 -10.9351 -10.9351 -10.9158 -10.9158 -9.3935 -9.3935 -9.3780 -9.3780 -9.3277 -9.3277 -9.2841 -9.2841 -8.5215 -8.5215 -8.4806 -8.4806 -8.4216 -8.4216 -8.3992 -8.3992 -7.0291 -7.0291 -6.9891 -6.9891 -5.8807 -5.8807 -5.8505 -5.8505 -5.5627 -5.5627 -5.5297 -5.5297 -5.5250 -5.5250 -5.5014 -5.5014 -5.3033 -5.3033 -5.2848 -5.2848 -4.9745 -4.9745 -4.8850 -4.8850 -4.7223 -4.7223 -4.6555 -4.6555 -4.6444 -4.6444 -4.5151 -4.5151 -4.4681 -4.4681 -4.2704 -4.2704 -1.9405 -1.9405 -1.9329 -1.9329 0.5977 0.6008 k = 0.0000 0.5610-0.0833 ( 17160 PWs) bands (ev): -23.7844 -23.7844 -23.7807 -23.7807 -23.0416 -23.0416 -23.0369 -23.0369 -21.8564 -21.8564 -21.8538 -21.8538 -21.5437 -21.5437 -21.5403 -21.5403 -14.3709 -14.3709 -14.3578 -14.3578 -10.9347 -10.9347 -10.9162 -10.9162 -9.3934 -9.3934 -9.3784 -9.3784 -9.3268 -9.3268 -9.2848 -9.2848 -8.5205 -8.5205 -8.4815 -8.4815 -8.4211 -8.4211 -8.3996 -8.3996 -7.0283 -7.0283 -6.9899 -6.9899 -5.8803 -5.8803 -5.8508 -5.8508 -5.5631 -5.5631 -5.5338 -5.5338 -5.5232 -5.5232 -5.4986 -5.4986 -5.3034 -5.3034 -5.2855 -5.2855 -4.9710 -4.9710 -4.8840 -4.8840 -4.7252 -4.7252 -4.6586 -4.6586 -4.6469 -4.6469 -4.5172 -4.5172 -4.4596 -4.4596 -4.2722 -4.2722 -1.9402 -1.9402 -1.9331 -1.9331 0.5979 0.6013 k = 0.0000 0.5663-0.0650 ( 17171 PWs) bands (ev): -23.7843 -23.7843 -23.7808 -23.7808 -23.0415 -23.0415 -23.0370 -23.0370 -21.8563 -21.8563 -21.8539 -21.8539 -21.5436 -21.5436 -21.5404 -21.5404 -14.3705 -14.3705 -14.3582 -14.3582 -10.9342 -10.9342 -10.9167 -10.9167 -9.3932 -9.3932 -9.3789 -9.3789 -9.3256 -9.3256 -9.2857 -9.2857 -8.5193 -8.5193 -8.4827 -8.4827 -8.4205 -8.4205 -8.4001 -8.4001 -7.0273 -7.0273 -6.9910 -6.9910 -5.8799 -5.8799 -5.8512 -5.8512 -5.5635 -5.5635 -5.5383 -5.5383 -5.5209 -5.5209 -5.4961 -5.4961 -5.3035 -5.3035 -5.2865 -5.2865 -4.9666 -4.9666 -4.8828 -4.8828 -4.7283 -4.7283 -4.6687 -4.6687 -4.6434 -4.6434 -4.5194 -4.5194 -4.4502 -4.4502 -4.2746 -4.2746 -1.9399 -1.9399 -1.9333 -1.9333 0.5980 0.6031 k = 0.0000 0.5716-0.0466 ( 17159 PWs) bands (ev): -23.7842 -23.7842 -23.7809 -23.7809 -23.0413 -23.0413 -23.0372 -23.0372 -21.8562 -21.8562 -21.8540 -21.8540 -21.5435 -21.5435 -21.5406 -21.5406 -14.3701 -14.3701 -14.3586 -14.3586 -10.9336 -10.9336 -10.9173 -10.9173 -9.3929 -9.3929 -9.3795 -9.3795 -9.3242 -9.3242 -9.2869 -9.2869 -8.5179 -8.5179 -8.4841 -8.4841 -8.4197 -8.4197 -8.4007 -8.4007 -7.0261 -7.0261 -6.9923 -6.9923 -5.8794 -5.8794 -5.8516 -5.8516 -5.5639 -5.5639 -5.5428 -5.5428 -5.5182 -5.5182 -5.4939 -5.4939 -5.3035 -5.3035 -5.2877 -5.2877 -4.9615 -4.9615 -4.8812 -4.8812 -4.7316 -4.7316 -4.6810 -4.6810 -4.6384 -4.6384 -4.5218 -4.5218 -4.4402 -4.4402 -4.2774 -4.2774 -1.9395 -1.9395 -1.9336 -1.9336 0.5998 0.6021 k = 0.0000 0.5770-0.0282 ( 17160 PWs) bands (ev): -23.7841 -23.7841 -23.7811 -23.7811 -23.0411 -23.0411 -23.0374 -23.0374 -21.8561 -21.8561 -21.8541 -21.8541 -21.5433 -21.5433 -21.5407 -21.5407 -14.3695 -14.3695 -14.3592 -14.3592 -10.9329 -10.9329 -10.9180 -10.9180 -9.3926 -9.3926 -9.3802 -9.3802 -9.3227 -9.3227 -9.2881 -9.2881 -8.5163 -8.5163 -8.4857 -8.4857 -8.4189 -8.4189 -8.4014 -8.4014 -7.0247 -7.0247 -6.9938 -6.9938 -5.8788 -5.8788 -5.8521 -5.8521 -5.5642 -5.5642 -5.5474 -5.5474 -5.5151 -5.5151 -5.4920 -5.4920 -5.3035 -5.3035 -5.2891 -5.2891 -4.9556 -4.9556 -4.8794 -4.8794 -4.7348 -4.7348 -4.6944 -4.6944 -4.6329 -4.6329 -4.5242 -4.5242 -4.4300 -4.4300 -4.2808 -4.2808 -1.9390 -1.9390 -1.9340 -1.9340 0.6010 0.6028 k = 0.5000 0.5023 0.2853 ( 17158 PWs) bands (ev): -23.7828 -23.7828 -23.7820 -23.7820 -23.0397 -23.0397 -23.0387 -23.0387 -21.8556 -21.8556 -21.8554 -21.8554 -21.5419 -21.5419 -21.5419 -21.5419 -14.3655 -14.3655 -14.3648 -14.3648 -10.9210 -10.9210 -10.9205 -10.9205 -9.3898 -9.3898 -9.3893 -9.3893 -9.2993 -9.2993 -9.2988 -9.2988 -8.5133 -8.5133 -8.5129 -8.5129 -8.4217 -8.4217 -8.4212 -8.4212 -7.0102 -7.0102 -7.0096 -7.0096 -5.8556 -5.8556 -5.8545 -5.8545 -5.5591 -5.5591 -5.5586 -5.5586 -5.4861 -5.4861 -5.4853 -5.4853 -5.3106 -5.3106 -5.3084 -5.3084 -4.8050 -4.8050 -4.8038 -4.8038 -4.7384 -4.7384 -4.7342 -4.7342 -4.5757 -4.5757 -4.5732 -4.5732 -4.4485 -4.4485 -4.4472 -4.4472 -1.9346 -1.9346 -1.9340 -1.9340 0.5914 0.5916 k = 0.5000 0.4814 0.2853 ( 17154 PWs) bands (ev): -23.7828 -23.7828 -23.7820 -23.7820 -23.0397 -23.0397 -23.0387 -23.0387 -21.8556 -21.8556 -21.8554 -21.8554 -21.5420 -21.5420 -21.5419 -21.5419 -14.3654 -14.3654 -14.3647 -14.3647 -10.9211 -10.9211 -10.9207 -10.9207 -9.3897 -9.3897 -9.3892 -9.3892 -9.2994 -9.2994 -9.2989 -9.2989 -8.5131 -8.5131 -8.5127 -8.5127 -8.4212 -8.4212 -8.4206 -8.4206 -7.0104 -7.0104 -7.0098 -7.0098 -5.8557 -5.8557 -5.8546 -5.8546 -5.5600 -5.5600 -5.5596 -5.5596 -5.4858 -5.4858 -5.4850 -5.4850 -5.3107 -5.3107 -5.3087 -5.3087 -4.8035 -4.8035 -4.8031 -4.8031 -4.7413 -4.7413 -4.7383 -4.7383 -4.5749 -4.5749 -4.5725 -4.5725 -4.4463 -4.4463 -4.4455 -4.4455 -1.9351 -1.9351 -1.9345 -1.9345 0.5917 0.5919 k = 0.5000 0.4604 0.2853 ( 17168 PWs) bands (ev): -23.7828 -23.7828 -23.7820 -23.7820 -23.0397 -23.0397 -23.0387 -23.0387 -21.8555 -21.8555 -21.8553 -21.8553 -21.5420 -21.5420 -21.5420 -21.5420 -14.3654 -14.3654 -14.3647 -14.3647 -10.9213 -10.9213 -10.9208 -10.9208 -9.3895 -9.3895 -9.3891 -9.3891 -9.2996 -9.2996 -9.2991 -9.2991 -8.5128 -8.5128 -8.5124 -8.5124 -8.4205 -8.4205 -8.4199 -8.4199 -7.0107 -7.0107 -7.0101 -7.0101 -5.8558 -5.8558 -5.8547 -5.8547 -5.5608 -5.5608 -5.5606 -5.5606 -5.4860 -5.4860 -5.4852 -5.4852 -5.3104 -5.3104 -5.3087 -5.3087 -4.8047 -4.8047 -4.8042 -4.8042 -4.7423 -4.7423 -4.7406 -4.7406 -4.5743 -4.5743 -4.5719 -4.5719 -4.4437 -4.4437 -4.4433 -4.4433 -1.9357 -1.9357 -1.9352 -1.9352 0.5921 0.5924 k = 0.5000 0.4395 0.2853 ( 17170 PWs) bands (ev): -23.7829 -23.7829 -23.7820 -23.7820 -23.0397 -23.0397 -23.0387 -23.0387 -21.8554 -21.8554 -21.8553 -21.8553 -21.5420 -21.5420 -21.5420 -21.5420 -14.3653 -14.3653 -14.3646 -14.3646 -10.9215 -10.9215 -10.9210 -10.9210 -9.3893 -9.3893 -9.3889 -9.3889 -9.2998 -9.2998 -9.2993 -9.2993 -8.5124 -8.5124 -8.5120 -8.5120 -8.4195 -8.4195 -8.4190 -8.4190 -7.0111 -7.0111 -7.0105 -7.0105 -5.8559 -5.8559 -5.8549 -5.8549 -5.5617 -5.5617 -5.5615 -5.5615 -5.4867 -5.4867 -5.4859 -5.4859 -5.3098 -5.3098 -5.3084 -5.3084 -4.8086 -4.8086 -4.8073 -4.8073 -4.7414 -4.7414 -4.7407 -4.7407 -4.5738 -4.5738 -4.5715 -4.5715 -4.4408 -4.4408 -4.4405 -4.4405 -1.9366 -1.9366 -1.9360 -1.9360 0.5927 0.5929 k = 0.5000 0.4186 0.2853 ( 17176 PWs) bands (ev): -23.7829 -23.7829 -23.7821 -23.7821 -23.0397 -23.0397 -23.0387 -23.0387 -21.8554 -21.8554 -21.8552 -21.8552 -21.5421 -21.5421 -21.5421 -21.5421 -14.3652 -14.3652 -14.3645 -14.3645 -10.9217 -10.9217 -10.9213 -10.9213 -9.3891 -9.3891 -9.3886 -9.3886 -9.3000 -9.3000 -9.2995 -9.2995 -8.5120 -8.5120 -8.5116 -8.5116 -8.4184 -8.4184 -8.4178 -8.4178 -7.0115 -7.0115 -7.0109 -7.0109 -5.8561 -5.8561 -5.8552 -5.8552 -5.5627 -5.5627 -5.5625 -5.5625 -5.4878 -5.4878 -5.4870 -5.4870 -5.3090 -5.3090 -5.3079 -5.3079 -4.8145 -4.8145 -4.8125 -4.8125 -4.7392 -4.7392 -4.7384 -4.7384 -4.5735 -4.5735 -4.5712 -4.5712 -4.4377 -4.4377 -4.4371 -4.4371 -1.9376 -1.9376 -1.9370 -1.9370 0.5935 0.5936 k = 0.5000 0.3976 0.2853 ( 17178 PWs) bands (ev): -23.7829 -23.7829 -23.7821 -23.7821 -23.0397 -23.0397 -23.0387 -23.0387 -21.8553 -21.8553 -21.8551 -21.8551 -21.5422 -21.5422 -21.5421 -21.5421 -14.3651 -14.3651 -14.3645 -14.3645 -10.9220 -10.9220 -10.9215 -10.9215 -9.3888 -9.3888 -9.3883 -9.3883 -9.3003 -9.3003 -9.2998 -9.2998 -8.5115 -8.5115 -8.5111 -8.5111 -8.4171 -8.4171 -8.4165 -8.4165 -7.0120 -7.0120 -7.0114 -7.0114 -5.8564 -5.8564 -5.8554 -5.8554 -5.5637 -5.5637 -5.5634 -5.5634 -5.4893 -5.4893 -5.4886 -5.4886 -5.3079 -5.3079 -5.3071 -5.3071 -4.8217 -4.8217 -4.8193 -4.8193 -4.7359 -4.7359 -4.7344 -4.7344 -4.5735 -4.5735 -4.5712 -4.5712 -4.4344 -4.4344 -4.4334 -4.4334 -1.9387 -1.9387 -1.9382 -1.9382 0.5942 0.5945 k = 0.5000 0.3767 0.2853 ( 17164 PWs) bands (ev): -23.7829 -23.7829 -23.7821 -23.7821 -23.0397 -23.0397 -23.0387 -23.0387 -21.8552 -21.8552 -21.8550 -21.8550 -21.5422 -21.5422 -21.5422 -21.5422 -14.3650 -14.3650 -14.3644 -14.3644 -10.9223 -10.9223 -10.9218 -10.9218 -9.3885 -9.3885 -9.3880 -9.3880 -9.3006 -9.3006 -9.3002 -9.3002 -8.5109 -8.5109 -8.5106 -8.5106 -8.4157 -8.4157 -8.4151 -8.4151 -7.0126 -7.0126 -7.0120 -7.0120 -5.8567 -5.8567 -5.8558 -5.8558 -5.5647 -5.5647 -5.5644 -5.5644 -5.4912 -5.4912 -5.4905 -5.4905 -5.3065 -5.3065 -5.3060 -5.3060 -4.8297 -4.8297 -4.8272 -4.8272 -4.7315 -4.7315 -4.7296 -4.7296 -4.5737 -4.5737 -4.5715 -4.5715 -4.4309 -4.4309 -4.4294 -4.4294 -1.9400 -1.9400 -1.9394 -1.9394 0.5950 0.5952 k = 0.5000 0.3558 0.2853 ( 17164 PWs) bands (ev): -23.7830 -23.7830 -23.7822 -23.7822 -23.0397 -23.0397 -23.0387 -23.0387 -21.8550 -21.8550 -21.8549 -21.8549 -21.5423 -21.5423 -21.5423 -21.5423 -14.3649 -14.3649 -14.3642 -14.3642 -10.9226 -10.9226 -10.9222 -10.9222 -9.3881 -9.3881 -9.3877 -9.3877 -9.3010 -9.3010 -9.3005 -9.3005 -8.5103 -8.5103 -8.5099 -8.5099 -8.4141 -8.4141 -8.4135 -8.4135 -7.0132 -7.0132 -7.0126 -7.0126 -5.8571 -5.8571 -5.8561 -5.8561 -5.5658 -5.5658 -5.5653 -5.5653 -5.4934 -5.4934 -5.4928 -5.4928 -5.3049 -5.3049 -5.3047 -5.3047 -4.8383 -4.8383 -4.8357 -4.8357 -4.7266 -4.7266 -4.7242 -4.7242 -4.5741 -4.5741 -4.5720 -4.5720 -4.4271 -4.4271 -4.4253 -4.4253 -1.9413 -1.9413 -1.9408 -1.9408 0.5960 0.5961 k = 0.5000 0.3349 0.2853 ( 17168 PWs) bands (ev): -23.7830 -23.7830 -23.7822 -23.7822 -23.0397 -23.0397 -23.0387 -23.0387 -21.8549 -21.8549 -21.8548 -21.8548 -21.5424 -21.5424 -21.5424 -21.5424 -14.3648 -14.3648 -14.3641 -14.3641 -10.9230 -10.9230 -10.9226 -10.9226 -9.3878 -9.3878 -9.3873 -9.3873 -9.3014 -9.3014 -9.3009 -9.3009 -8.5096 -8.5096 -8.5092 -8.5092 -8.4124 -8.4124 -8.4119 -8.4119 -7.0139 -7.0139 -7.0132 -7.0132 -5.8575 -5.8575 -5.8565 -5.8565 -5.5667 -5.5667 -5.5662 -5.5662 -5.4959 -5.4959 -5.4954 -5.4954 -5.3033 -5.3033 -5.3029 -5.3029 -4.8471 -4.8471 -4.8445 -4.8445 -4.7212 -4.7212 -4.7185 -4.7185 -4.5748 -4.5748 -4.5728 -4.5728 -4.4233 -4.4233 -4.4212 -4.4212 -1.9428 -1.9428 -1.9422 -1.9422 0.5970 0.5971 k = 0.5000 0.3139 0.2853 ( 17174 PWs) bands (ev): -23.7831 -23.7831 -23.7823 -23.7823 -23.0396 -23.0396 -23.0387 -23.0387 -21.8548 -21.8548 -21.8546 -21.8546 -21.5425 -21.5425 -21.5425 -21.5425 -14.3647 -14.3647 -14.3640 -14.3640 -10.9234 -10.9234 -10.9229 -10.9229 -9.3873 -9.3873 -9.3869 -9.3869 -9.3018 -9.3018 -9.3014 -9.3014 -8.5089 -8.5089 -8.5085 -8.5085 -8.4107 -8.4107 -8.4101 -8.4101 -7.0145 -7.0145 -7.0139 -7.0139 -5.8579 -5.8579 -5.8569 -5.8569 -5.5677 -5.5677 -5.5671 -5.5671 -5.4987 -5.4987 -5.4983 -5.4983 -5.3015 -5.3015 -5.3008 -5.3008 -4.8559 -4.8559 -4.8534 -4.8534 -4.7157 -4.7157 -4.7127 -4.7127 -4.5756 -4.5756 -4.5737 -4.5737 -4.4194 -4.4194 -4.4170 -4.4170 -1.9443 -1.9443 -1.9438 -1.9438 0.5981 0.5983 k = 0.5000 0.2930 0.2853 ( 17154 PWs) bands (ev): -23.7831 -23.7831 -23.7823 -23.7823 -23.0396 -23.0396 -23.0387 -23.0387 -21.8547 -21.8547 -21.8545 -21.8545 -21.5426 -21.5426 -21.5426 -21.5426 -14.3646 -14.3646 -14.3639 -14.3639 -10.9238 -10.9238 -10.9233 -10.9233 -9.3869 -9.3869 -9.3864 -9.3864 -9.3023 -9.3023 -9.3018 -9.3018 -8.5081 -8.5081 -8.5077 -8.5077 -8.4089 -8.4089 -8.4083 -8.4083 -7.0153 -7.0153 -7.0146 -7.0146 -5.8583 -5.8583 -5.8573 -5.8573 -5.5686 -5.5686 -5.5679 -5.5679 -5.5018 -5.5018 -5.5015 -5.5015 -5.2996 -5.2996 -5.2986 -5.2986 -4.8646 -4.8646 -4.8621 -4.8621 -4.7101 -4.7101 -4.7068 -4.7068 -4.5766 -4.5766 -4.5749 -4.5749 -4.4155 -4.4155 -4.4128 -4.4128 -1.9459 -1.9459 -1.9453 -1.9453 0.5991 0.5993 k = 0.5000 0.2721 0.2853 ( 17158 PWs) bands (ev): -23.7832 -23.7832 -23.7823 -23.7823 -23.0396 -23.0396 -23.0386 -23.0386 -21.8545 -21.8545 -21.8544 -21.8544 -21.5427 -21.5427 -21.5427 -21.5427 -14.3645 -14.3645 -14.3638 -14.3638 -10.9242 -10.9242 -10.9237 -10.9237 -9.3865 -9.3865 -9.3860 -9.3860 -9.3027 -9.3027 -9.3023 -9.3023 -8.5073 -8.5073 -8.5069 -8.5069 -8.4071 -8.4071 -8.4065 -8.4065 -7.0160 -7.0160 -7.0153 -7.0153 -5.8587 -5.8587 -5.8577 -5.8577 -5.5694 -5.5694 -5.5686 -5.5686 -5.5051 -5.5051 -5.5049 -5.5049 -5.2975 -5.2975 -5.2961 -5.2961 -4.8731 -4.8731 -4.8707 -4.8707 -4.7045 -4.7045 -4.7009 -4.7009 -4.5778 -4.5778 -4.5763 -4.5763 -4.4117 -4.4117 -4.4087 -4.4087 -1.9475 -1.9475 -1.9469 -1.9469 0.6003 0.6004 k = 0.5000 0.2511 0.2853 ( 17164 PWs) bands (ev): -23.7832 -23.7832 -23.7824 -23.7824 -23.0396 -23.0396 -23.0386 -23.0386 -21.8544 -21.8544 -21.8542 -21.8542 -21.5428 -21.5428 -21.5427 -21.5427 -14.3643 -14.3643 -14.3636 -14.3636 -10.9246 -10.9246 -10.9241 -10.9241 -9.3860 -9.3860 -9.3856 -9.3856 -9.3032 -9.3032 -9.3027 -9.3027 -8.5065 -8.5065 -8.5061 -8.5061 -8.4053 -8.4053 -8.4047 -8.4047 -7.0167 -7.0167 -7.0161 -7.0161 -5.8591 -5.8591 -5.8580 -5.8580 -5.5701 -5.5701 -5.5693 -5.5693 -5.5087 -5.5087 -5.5085 -5.5085 -5.2953 -5.2953 -5.2936 -5.2936 -4.8814 -4.8814 -4.8790 -4.8790 -4.6989 -4.6989 -4.6951 -4.6951 -4.5791 -4.5791 -4.5778 -4.5778 -4.4079 -4.4079 -4.4048 -4.4048 -1.9490 -1.9490 -1.9485 -1.9485 0.6012 0.6015 k = 0.5000 0.2302 0.2853 ( 17174 PWs) bands (ev): -23.7833 -23.7833 -23.7824 -23.7824 -23.0396 -23.0396 -23.0386 -23.0386 -21.8543 -21.8543 -21.8541 -21.8541 -21.5429 -21.5429 -21.5428 -21.5428 -14.3642 -14.3642 -14.3635 -14.3635 -10.9250 -10.9250 -10.9245 -10.9245 -9.3856 -9.3856 -9.3851 -9.3851 -9.3037 -9.3037 -9.3032 -9.3032 -8.5057 -8.5057 -8.5053 -8.5053 -8.4036 -8.4036 -8.4030 -8.4030 -7.0174 -7.0174 -7.0168 -7.0168 -5.8595 -5.8595 -5.8584 -5.8584 -5.5707 -5.5707 -5.5698 -5.5698 -5.5124 -5.5124 -5.5121 -5.5121 -5.2930 -5.2930 -5.2909 -5.2909 -4.8892 -4.8892 -4.8869 -4.8869 -4.6936 -4.6936 -4.6894 -4.6894 -4.5805 -4.5805 -4.5794 -4.5794 -4.4044 -4.4044 -4.4010 -4.4010 -1.9506 -1.9506 -1.9500 -1.9500 0.6022 0.6025 k = 0.5000 0.2093 0.2853 ( 17158 PWs) bands (ev): -23.7833 -23.7833 -23.7825 -23.7825 -23.0396 -23.0396 -23.0386 -23.0386 -21.8541 -21.8541 -21.8540 -21.8540 -21.5429 -21.5429 -21.5429 -21.5429 -14.3641 -14.3641 -14.3634 -14.3634 -10.9254 -10.9254 -10.9249 -10.9249 -9.3852 -9.3852 -9.3847 -9.3847 -9.3041 -9.3041 -9.3036 -9.3036 -8.5048 -8.5048 -8.5044 -8.5044 -8.4019 -8.4019 -8.4013 -8.4013 -7.0181 -7.0181 -7.0175 -7.0175 -5.8599 -5.8599 -5.8587 -5.8587 -5.5711 -5.5711 -5.5703 -5.5703 -5.5162 -5.5162 -5.5158 -5.5158 -5.2906 -5.2906 -5.2882 -5.2882 -4.8966 -4.8966 -4.8944 -4.8944 -4.6884 -4.6884 -4.6840 -4.6840 -4.5819 -4.5819 -4.5811 -4.5811 -4.4010 -4.4010 -4.3975 -4.3975 -1.9521 -1.9521 -1.9515 -1.9515 0.6032 0.6035 k = 0.5000 0.1884 0.2853 ( 17160 PWs) bands (ev): -23.7834 -23.7834 -23.7825 -23.7825 -23.0396 -23.0396 -23.0386 -23.0386 -21.8540 -21.8540 -21.8539 -21.8539 -21.5430 -21.5430 -21.5430 -21.5430 -14.3640 -14.3640 -14.3633 -14.3633 -10.9257 -10.9257 -10.9253 -10.9253 -9.3847 -9.3847 -9.3843 -9.3843 -9.3046 -9.3046 -9.3041 -9.3041 -8.5040 -8.5040 -8.5036 -8.5036 -8.4003 -8.4003 -8.3997 -8.3997 -7.0188 -7.0188 -7.0182 -7.0182 -5.8602 -5.8602 -5.8591 -5.8591 -5.5714 -5.5714 -5.5705 -5.5705 -5.5201 -5.5201 -5.5196 -5.5196 -5.2883 -5.2883 -5.2855 -5.2855 -4.9036 -4.9036 -4.9014 -4.9014 -4.6835 -4.6835 -4.6788 -4.6788 -4.5834 -4.5834 -4.5829 -4.5829 -4.3979 -4.3979 -4.3942 -4.3942 -1.9535 -1.9535 -1.9530 -1.9530 0.6041 0.6043 k = 0.5000 0.1674 0.2853 ( 17156 PWs) bands (ev): -23.7834 -23.7834 -23.7826 -23.7826 -23.0396 -23.0396 -23.0386 -23.0386 -21.8539 -21.8539 -21.8537 -21.8537 -21.5431 -21.5431 -21.5431 -21.5431 -14.3639 -14.3639 -14.3632 -14.3632 -10.9261 -10.9261 -10.9256 -10.9256 -9.3843 -9.3843 -9.3839 -9.3839 -9.3050 -9.3050 -9.3045 -9.3045 -8.5033 -8.5033 -8.5029 -8.5029 -8.3988 -8.3988 -8.3982 -8.3982 -7.0194 -7.0194 -7.0188 -7.0188 -5.8605 -5.8605 -5.8593 -5.8593 -5.5716 -5.5716 -5.5707 -5.5707 -5.5240 -5.5240 -5.5233 -5.5233 -5.2859 -5.2859 -5.2828 -5.2828 -4.9099 -4.9099 -4.9078 -4.9078 -4.6789 -4.6789 -4.6738 -4.6738 -4.5850 -4.5850 -4.5848 -4.5848 -4.3950 -4.3950 -4.3912 -4.3912 -1.9548 -1.9548 -1.9543 -1.9543 0.6050 0.6053 k = 0.5000 0.1465 0.2853 ( 17142 PWs) bands (ev): -23.7834 -23.7834 -23.7826 -23.7826 -23.0396 -23.0396 -23.0386 -23.0386 -21.8538 -21.8538 -21.8536 -21.8536 -21.5432 -21.5432 -21.5432 -21.5432 -14.3638 -14.3638 -14.3631 -14.3631 -10.9264 -10.9264 -10.9260 -10.9260 -9.3840 -9.3840 -9.3835 -9.3835 -9.3054 -9.3054 -9.3049 -9.3049 -8.5025 -8.5025 -8.5022 -8.5022 -8.3974 -8.3974 -8.3968 -8.3968 -7.0200 -7.0200 -7.0194 -7.0194 -5.8608 -5.8608 -5.8596 -5.8596 -5.5715 -5.5715 -5.5706 -5.5706 -5.5277 -5.5277 -5.5269 -5.5269 -5.2836 -5.2836 -5.2803 -5.2803 -4.9157 -4.9157 -4.9136 -4.9136 -4.6746 -4.6746 -4.6692 -4.6692 -4.5866 -4.5866 -4.5864 -4.5864 -4.3925 -4.3925 -4.3885 -4.3885 -1.9560 -1.9560 -1.9555 -1.9555 0.6057 0.6060 k = 0.5000 0.1256 0.2853 ( 17142 PWs) bands (ev): -23.7835 -23.7835 -23.7826 -23.7826 -23.0396 -23.0396 -23.0386 -23.0386 -21.8537 -21.8537 -21.8535 -21.8535 -21.5433 -21.5433 -21.5432 -21.5432 -14.3637 -14.3637 -14.3630 -14.3630 -10.9267 -10.9267 -10.9262 -10.9262 -9.3836 -9.3836 -9.3832 -9.3832 -9.3057 -9.3057 -9.3052 -9.3052 -8.5019 -8.5019 -8.5015 -8.5015 -8.3962 -8.3962 -8.3956 -8.3956 -7.0205 -7.0205 -7.0199 -7.0199 -5.8610 -5.8610 -5.8598 -5.8598 -5.5714 -5.5714 -5.5705 -5.5705 -5.5313 -5.5313 -5.5304 -5.5304 -5.2816 -5.2816 -5.2780 -5.2780 -4.9208 -4.9208 -4.9187 -4.9187 -4.6707 -4.6707 -4.6650 -4.6650 -4.5884 -4.5884 -4.5879 -4.5879 -4.3902 -4.3902 -4.3861 -4.3861 -1.9571 -1.9571 -1.9566 -1.9566 0.6064 0.6068 k = 0.5000 0.1046 0.2853 ( 17138 PWs) bands (ev): -23.7835 -23.7835 -23.7827 -23.7827 -23.0396 -23.0396 -23.0386 -23.0386 -21.8536 -21.8536 -21.8535 -21.8535 -21.5433 -21.5433 -21.5433 -21.5433 -14.3636 -14.3636 -14.3629 -14.3629 -10.9270 -10.9270 -10.9265 -10.9265 -9.3833 -9.3833 -9.3829 -9.3829 -9.3060 -9.3060 -9.3055 -9.3055 -8.5013 -8.5013 -8.5009 -8.5009 -8.3951 -8.3951 -8.3945 -8.3945 -7.0210 -7.0210 -7.0204 -7.0204 -5.8612 -5.8612 -5.8599 -5.8599 -5.5710 -5.5710 -5.5701 -5.5701 -5.5346 -5.5346 -5.5336 -5.5336 -5.2797 -5.2797 -5.2759 -5.2759 -4.9253 -4.9253 -4.9232 -4.9232 -4.6673 -4.6673 -4.6612 -4.6612 -4.5901 -4.5901 -4.5892 -4.5892 -4.3883 -4.3883 -4.3841 -4.3841 -1.9581 -1.9581 -1.9576 -1.9576 0.6070 0.6073 k = 0.5000 0.0837 0.2853 ( 17138 PWs) bands (ev): -23.7835 -23.7835 -23.7827 -23.7827 -23.0396 -23.0396 -23.0386 -23.0386 -21.8535 -21.8535 -21.8534 -21.8534 -21.5434 -21.5434 -21.5433 -21.5433 -14.3635 -14.3635 -14.3628 -14.3628 -10.9272 -10.9272 -10.9267 -10.9267 -9.3831 -9.3831 -9.3826 -9.3826 -9.3063 -9.3063 -9.3058 -9.3058 -8.5008 -8.5008 -8.5004 -8.5004 -8.3942 -8.3942 -8.3937 -8.3937 -7.0214 -7.0214 -7.0208 -7.0208 -5.8613 -5.8613 -5.8601 -5.8601 -5.5706 -5.5706 -5.5697 -5.5697 -5.5375 -5.5375 -5.5365 -5.5365 -5.2780 -5.2780 -5.2741 -5.2741 -4.9290 -4.9290 -4.9269 -4.9269 -4.6644 -4.6644 -4.6579 -4.6579 -4.5917 -4.5917 -4.5904 -4.5904 -4.3866 -4.3866 -4.3824 -4.3824 -1.9589 -1.9589 -1.9584 -1.9584 0.6075 0.6076 k = 0.5000 0.0628 0.2853 ( 17142 PWs) bands (ev): -23.7835 -23.7835 -23.7827 -23.7827 -23.0396 -23.0396 -23.0386 -23.0386 -21.8535 -21.8535 -21.8533 -21.8533 -21.5434 -21.5434 -21.5434 -21.5434 -14.3635 -14.3635 -14.3628 -14.3628 -10.9273 -10.9273 -10.9269 -10.9269 -9.3829 -9.3829 -9.3824 -9.3824 -9.3065 -9.3065 -9.3060 -9.3060 -8.5004 -8.5004 -8.5000 -8.5000 -8.3935 -8.3935 -8.3930 -8.3930 -7.0217 -7.0217 -7.0211 -7.0211 -5.8614 -5.8614 -5.8602 -5.8602 -5.5702 -5.5702 -5.5693 -5.5693 -5.5400 -5.5400 -5.5389 -5.5389 -5.2767 -5.2767 -5.2726 -5.2726 -4.9319 -4.9319 -4.9298 -4.9298 -4.6620 -4.6620 -4.6553 -4.6553 -4.5930 -4.5930 -4.5914 -4.5914 -4.3854 -4.3854 -4.3811 -4.3811 -1.9595 -1.9595 -1.9590 -1.9590 0.6080 0.6082 k = 0.5000 0.0419 0.2853 ( 17134 PWs) bands (ev): -23.7836 -23.7836 -23.7827 -23.7827 -23.0396 -23.0396 -23.0386 -23.0386 -21.8535 -21.8535 -21.8533 -21.8533 -21.5434 -21.5434 -21.5434 -21.5434 -14.3635 -14.3635 -14.3628 -14.3628 -10.9275 -10.9275 -10.9270 -10.9270 -9.3827 -9.3827 -9.3823 -9.3823 -9.3066 -9.3066 -9.3062 -9.3062 -8.5001 -8.5001 -8.4998 -8.4998 -8.3930 -8.3930 -8.3924 -8.3924 -7.0219 -7.0219 -7.0213 -7.0213 -5.8615 -5.8615 -5.8602 -5.8602 -5.5697 -5.5697 -5.5688 -5.5688 -5.5420 -5.5420 -5.5407 -5.5407 -5.2757 -5.2757 -5.2715 -5.2715 -4.9340 -4.9340 -4.9319 -4.9319 -4.6603 -4.6603 -4.6533 -4.6533 -4.5940 -4.5940 -4.5922 -4.5922 -4.3845 -4.3845 -4.3802 -4.3802 -1.9600 -1.9600 -1.9594 -1.9594 0.6083 0.6086 k = 0.5000 0.0209 0.2853 ( 17148 PWs) bands (ev): -23.7836 -23.7836 -23.7827 -23.7827 -23.0396 -23.0396 -23.0386 -23.0386 -21.8534 -21.8534 -21.8533 -21.8533 -21.5434 -21.5434 -21.5434 -21.5434 -14.3634 -14.3634 -14.3627 -14.3627 -10.9275 -10.9275 -10.9271 -10.9271 -9.3826 -9.3826 -9.3822 -9.3822 -9.3067 -9.3067 -9.3063 -9.3063 -8.5000 -8.5000 -8.4996 -8.4996 -8.3927 -8.3927 -8.3921 -8.3921 -7.0221 -7.0221 -7.0214 -7.0214 -5.8616 -5.8616 -5.8603 -5.8603 -5.5694 -5.5694 -5.5685 -5.5685 -5.5432 -5.5432 -5.5419 -5.5419 -5.2751 -5.2751 -5.2709 -5.2709 -4.9353 -4.9353 -4.9332 -4.9332 -4.6592 -4.6592 -4.6521 -4.6521 -4.5947 -4.5947 -4.5927 -4.5927 -4.3839 -4.3839 -4.3796 -4.3796 -1.9602 -1.9602 -1.9597 -1.9597 0.6083 0.6087 k = 0.5000-0.0000 0.2853 ( 17168 PWs) bands (ev): -23.7836 -23.7836 -23.7827 -23.7827 -23.0396 -23.0396 -23.0386 -23.0386 -21.8534 -21.8534 -21.8533 -21.8533 -21.5435 -21.5435 -21.5434 -21.5434 -14.3634 -14.3634 -14.3627 -14.3627 -10.9276 -10.9276 -10.9271 -10.9271 -9.3826 -9.3826 -9.3821 -9.3821 -9.3068 -9.3068 -9.3063 -9.3063 -8.4999 -8.4999 -8.4995 -8.4995 -8.3926 -8.3926 -8.3920 -8.3920 -7.0221 -7.0221 -7.0215 -7.0215 -5.8616 -5.8616 -5.8603 -5.8603 -5.5693 -5.5693 -5.5684 -5.5684 -5.5436 -5.5436 -5.5423 -5.5423 -5.2749 -5.2749 -5.2707 -5.2707 -4.9357 -4.9357 -4.9336 -4.9336 -4.6589 -4.6589 -4.6517 -4.6517 -4.5949 -4.5949 -4.5929 -4.5929 -4.3838 -4.3838 -4.3794 -4.3794 -1.9603 -1.9603 -1.9598 -1.9598 0.6087 0.6088 k = 0.5000-0.0000 0.2853 ( 17168 PWs) bands (ev): -23.7836 -23.7836 -23.7827 -23.7827 -23.0396 -23.0396 -23.0386 -23.0386 -21.8534 -21.8534 -21.8533 -21.8533 -21.5435 -21.5435 -21.5434 -21.5434 -14.3634 -14.3634 -14.3627 -14.3627 -10.9276 -10.9276 -10.9271 -10.9271 -9.3826 -9.3826 -9.3821 -9.3821 -9.3068 -9.3068 -9.3063 -9.3063 -8.4999 -8.4999 -8.4995 -8.4995 -8.3926 -8.3926 -8.3920 -8.3920 -7.0221 -7.0221 -7.0215 -7.0215 -5.8616 -5.8616 -5.8603 -5.8603 -5.5693 -5.5693 -5.5684 -5.5684 -5.5436 -5.5436 -5.5423 -5.5423 -5.2749 -5.2749 -5.2707 -5.2707 -4.9357 -4.9357 -4.9336 -4.9336 -4.6589 -4.6589 -4.6517 -4.6517 -4.5949 -4.5949 -4.5929 -4.5929 -4.3838 -4.3838 -4.3794 -4.3794 -1.9603 -1.9603 -1.9598 -1.9598 0.6084 0.6085 k = 0.5000-0.0000 0.2650 ( 17158 PWs) bands (ev): -23.7836 -23.7836 -23.7827 -23.7827 -23.0396 -23.0396 -23.0386 -23.0386 -21.8534 -21.8534 -21.8533 -21.8533 -21.5434 -21.5434 -21.5434 -21.5434 -14.3634 -14.3634 -14.3627 -14.3627 -10.9276 -10.9276 -10.9271 -10.9271 -9.3826 -9.3826 -9.3821 -9.3821 -9.3068 -9.3068 -9.3063 -9.3063 -8.4999 -8.4999 -8.4995 -8.4995 -8.3926 -8.3926 -8.3920 -8.3920 -7.0221 -7.0221 -7.0215 -7.0215 -5.8616 -5.8616 -5.8603 -5.8603 -5.5697 -5.5697 -5.5689 -5.5689 -5.5430 -5.5430 -5.5418 -5.5418 -5.2751 -5.2751 -5.2708 -5.2708 -4.9353 -4.9353 -4.9332 -4.9332 -4.6614 -4.6614 -4.6546 -4.6546 -4.5921 -4.5921 -4.5904 -4.5904 -4.3840 -4.3840 -4.3797 -4.3797 -1.9603 -1.9603 -1.9598 -1.9598 0.6084 0.6088 k = 0.5000-0.0000 0.2446 ( 17166 PWs) bands (ev): -23.7836 -23.7836 -23.7827 -23.7827 -23.0396 -23.0396 -23.0386 -23.0386 -21.8534 -21.8534 -21.8533 -21.8533 -21.5435 -21.5435 -21.5434 -21.5434 -14.3634 -14.3634 -14.3627 -14.3627 -10.9276 -10.9276 -10.9271 -10.9271 -9.3826 -9.3826 -9.3822 -9.3822 -9.3068 -9.3068 -9.3063 -9.3063 -8.4999 -8.4999 -8.4996 -8.4996 -8.3926 -8.3926 -8.3920 -8.3920 -7.0221 -7.0221 -7.0215 -7.0215 -5.8616 -5.8616 -5.8604 -5.8604 -5.5709 -5.5709 -5.5700 -5.5700 -5.5415 -5.5415 -5.5403 -5.5403 -5.2754 -5.2754 -5.2713 -5.2713 -4.9340 -4.9340 -4.9320 -4.9320 -4.6682 -4.6682 -4.6622 -4.6622 -4.5848 -4.5848 -4.5840 -4.5840 -4.3848 -4.3848 -4.3805 -4.3805 -1.9603 -1.9603 -1.9597 -1.9597 0.6084 0.6087 k = 0.5000-0.0000 0.2242 ( 17178 PWs) bands (ev): -23.7836 -23.7836 -23.7827 -23.7827 -23.0396 -23.0396 -23.0386 -23.0386 -21.8534 -21.8534 -21.8533 -21.8533 -21.5435 -21.5435 -21.5434 -21.5434 -14.3634 -14.3634 -14.3627 -14.3627 -10.9276 -10.9276 -10.9271 -10.9271 -9.3826 -9.3826 -9.3822 -9.3822 -9.3067 -9.3067 -9.3063 -9.3063 -8.5000 -8.5000 -8.4996 -8.4996 -8.3925 -8.3925 -8.3920 -8.3920 -7.0221 -7.0221 -7.0215 -7.0215 -5.8617 -5.8617 -5.8605 -5.8605 -5.5725 -5.5725 -5.5717 -5.5717 -5.5393 -5.5393 -5.5380 -5.5380 -5.2761 -5.2761 -5.2720 -5.2720 -4.9320 -4.9320 -4.9299 -4.9299 -4.6775 -4.6775 -4.6723 -4.6723 -4.5754 -4.5754 -4.5753 -4.5753 -4.3860 -4.3860 -4.3818 -4.3818 -1.9602 -1.9602 -1.9597 -1.9597 0.6084 0.6086 k = 0.5000-0.0000 0.2038 ( 17168 PWs) bands (ev): -23.7836 -23.7836 -23.7827 -23.7827 -23.0396 -23.0396 -23.0386 -23.0386 -21.8534 -21.8534 -21.8533 -21.8533 -21.5435 -21.5435 -21.5434 -21.5434 -14.3634 -14.3634 -14.3627 -14.3627 -10.9276 -10.9276 -10.9271 -10.9271 -9.3827 -9.3827 -9.3822 -9.3822 -9.3067 -9.3067 -9.3062 -9.3062 -8.5000 -8.5000 -8.4997 -8.4997 -8.3925 -8.3925 -8.3919 -8.3919 -7.0221 -7.0221 -7.0215 -7.0215 -5.8618 -5.8618 -5.8606 -5.8606 -5.5743 -5.5743 -5.5736 -5.5736 -5.5366 -5.5366 -5.5354 -5.5354 -5.2769 -5.2769 -5.2730 -5.2730 -4.9292 -4.9292 -4.9272 -4.9272 -4.6881 -4.6881 -4.6835 -4.6835 -4.5655 -4.5655 -4.5650 -4.5650 -4.3878 -4.3878 -4.3836 -4.3836 -1.9601 -1.9601 -1.9595 -1.9595 0.6085 0.6086 k = 0.5000-0.0000 0.1834 ( 17160 PWs) bands (ev): -23.7836 -23.7836 -23.7827 -23.7827 -23.0396 -23.0396 -23.0386 -23.0386 -21.8534 -21.8534 -21.8533 -21.8533 -21.5434 -21.5434 -21.5434 -21.5434 -14.3634 -14.3634 -14.3627 -14.3627 -10.9275 -10.9275 -10.9271 -10.9271 -9.3827 -9.3827 -9.3822 -9.3822 -9.3067 -9.3067 -9.3062 -9.3062 -8.5001 -8.5001 -8.4998 -8.4998 -8.3924 -8.3924 -8.3919 -8.3919 -7.0221 -7.0221 -7.0215 -7.0215 -5.8619 -5.8619 -5.8607 -5.8607 -5.5763 -5.5763 -5.5756 -5.5756 -5.5337 -5.5337 -5.5325 -5.5325 -5.2779 -5.2779 -5.2742 -5.2742 -4.9257 -4.9257 -4.9237 -4.9237 -4.6993 -4.6993 -4.6952 -4.6952 -4.5552 -4.5552 -4.5543 -4.5543 -4.3899 -4.3899 -4.3859 -4.3859 -1.9599 -1.9599 -1.9594 -1.9594 0.6084 0.6086 k = 0.5000-0.0000 0.1630 ( 17164 PWs) bands (ev): -23.7836 -23.7836 -23.7827 -23.7827 -23.0396 -23.0396 -23.0386 -23.0386 -21.8534 -21.8534 -21.8533 -21.8533 -21.5434 -21.5434 -21.5434 -21.5434 -14.3634 -14.3634 -14.3627 -14.3627 -10.9275 -10.9275 -10.9271 -10.9271 -9.3827 -9.3827 -9.3822 -9.3822 -9.3066 -9.3066 -9.3062 -9.3062 -8.5002 -8.5002 -8.4998 -8.4998 -8.3924 -8.3924 -8.3918 -8.3918 -7.0221 -7.0221 -7.0215 -7.0215 -5.8620 -5.8620 -5.8608 -5.8608 -5.5781 -5.5781 -5.5775 -5.5775 -5.5307 -5.5307 -5.5295 -5.5295 -5.2790 -5.2790 -5.2756 -5.2756 -4.9216 -4.9216 -4.9197 -4.9197 -4.7106 -4.7106 -4.7070 -4.7070 -4.5450 -4.5450 -4.5438 -4.5438 -4.3925 -4.3925 -4.3886 -4.3886 -1.9598 -1.9598 -1.9593 -1.9593 0.6082 0.6086 k = 0.5000-0.0000 0.1427 ( 17152 PWs) bands (ev): -23.7836 -23.7836 -23.7827 -23.7827 -23.0396 -23.0396 -23.0386 -23.0386 -21.8534 -21.8534 -21.8533 -21.8533 -21.5434 -21.5434 -21.5434 -21.5434 -14.3634 -14.3634 -14.3627 -14.3627 -10.9275 -10.9275 -10.9271 -10.9271 -9.3827 -9.3827 -9.3823 -9.3823 -9.3066 -9.3066 -9.3061 -9.3061 -8.5003 -8.5003 -8.4999 -8.4999 -8.3923 -8.3923 -8.3917 -8.3917 -7.0222 -7.0222 -7.0215 -7.0215 -5.8621 -5.8621 -5.8610 -5.8610 -5.5799 -5.5799 -5.5793 -5.5793 -5.5278 -5.5278 -5.5267 -5.5267 -5.2802 -5.2802 -5.2771 -5.2771 -4.9170 -4.9170 -4.9151 -4.9151 -4.7218 -4.7218 -4.7185 -4.7185 -4.5350 -4.5350 -4.5336 -4.5336 -4.3954 -4.3954 -4.3917 -4.3917 -1.9596 -1.9596 -1.9591 -1.9591 0.6083 0.6086 k = 0.5000-0.0000 0.1223 ( 17144 PWs) bands (ev): -23.7836 -23.7836 -23.7827 -23.7827 -23.0396 -23.0396 -23.0386 -23.0386 -21.8534 -21.8534 -21.8533 -21.8533 -21.5434 -21.5434 -21.5434 -21.5434 -14.3634 -14.3634 -14.3627 -14.3627 -10.9275 -10.9275 -10.9271 -10.9271 -9.3828 -9.3828 -9.3823 -9.3823 -9.3066 -9.3066 -9.3061 -9.3061 -8.5004 -8.5004 -8.5000 -8.5000 -8.3922 -8.3922 -8.3917 -8.3917 -7.0222 -7.0222 -7.0216 -7.0216 -5.8622 -5.8622 -5.8611 -5.8611 -5.5815 -5.5815 -5.5810 -5.5810 -5.5250 -5.5250 -5.5239 -5.5239 -5.2813 -5.2813 -5.2785 -5.2785 -4.9121 -4.9121 -4.9103 -4.9103 -4.7325 -4.7325 -4.7296 -4.7296 -4.5255 -4.5255 -4.5239 -4.5239 -4.3986 -4.3986 -4.3951 -4.3951 -1.9595 -1.9594 -1.9589 -1.9589 0.6081 0.6085 k = 0.5000-0.0000 0.1019 ( 17142 PWs) bands (ev): -23.7836 -23.7836 -23.7827 -23.7827 -23.0396 -23.0396 -23.0386 -23.0386 -21.8534 -21.8534 -21.8533 -21.8533 -21.5434 -21.5434 -21.5434 -21.5434 -14.3634 -14.3634 -14.3627 -14.3627 -10.9275 -10.9275 -10.9271 -10.9271 -9.3828 -9.3828 -9.3823 -9.3823 -9.3065 -9.3065 -9.3061 -9.3061 -8.5004 -8.5004 -8.5001 -8.5001 -8.3922 -8.3922 -8.3916 -8.3916 -7.0222 -7.0222 -7.0216 -7.0216 -5.8623 -5.8623 -5.8613 -5.8613 -5.5828 -5.5828 -5.5824 -5.5824 -5.5224 -5.5224 -5.5215 -5.5215 -5.2824 -5.2824 -5.2800 -5.2800 -4.9070 -4.9070 -4.9053 -4.9053 -4.7426 -4.7426 -4.7400 -4.7400 -4.5166 -4.5166 -4.5151 -4.5151 -4.4019 -4.4019 -4.3987 -4.3987 -1.9593 -1.9593 -1.9588 -1.9588 0.6081 0.6084 k = 0.5000-0.0000 0.0815 ( 17130 PWs) bands (ev): -23.7836 -23.7836 -23.7827 -23.7827 -23.0396 -23.0396 -23.0386 -23.0386 -21.8534 -21.8534 -21.8533 -21.8533 -21.5434 -21.5434 -21.5434 -21.5434 -14.3634 -14.3634 -14.3627 -14.3627 -10.9275 -10.9275 -10.9271 -10.9271 -9.3828 -9.3828 -9.3823 -9.3823 -9.3065 -9.3065 -9.3060 -9.3060 -8.5005 -8.5005 -8.5002 -8.5002 -8.3921 -8.3921 -8.3916 -8.3916 -7.0222 -7.0222 -7.0216 -7.0216 -5.8624 -5.8624 -5.8614 -5.8614 -5.5840 -5.5840 -5.5837 -5.5837 -5.5202 -5.5202 -5.5194 -5.5194 -5.2833 -5.2833 -5.2814 -5.2814 -4.9020 -4.9020 -4.9005 -4.9005 -4.7515 -4.7515 -4.7493 -4.7493 -4.5087 -4.5087 -4.5071 -4.5071 -4.4051 -4.4051 -4.4023 -4.4023 -1.9592 -1.9592 -1.9587 -1.9587 0.6082 0.6084 k = 0.5000-0.0000 0.0611 ( 17140 PWs) bands (ev): -23.7836 -23.7836 -23.7827 -23.7827 -23.0396 -23.0396 -23.0386 -23.0386 -21.8534 -21.8534 -21.8533 -21.8533 -21.5434 -21.5434 -21.5434 -21.5434 -14.3634 -14.3634 -14.3627 -14.3627 -10.9275 -10.9275 -10.9271 -10.9271 -9.3828 -9.3828 -9.3823 -9.3823 -9.3065 -9.3065 -9.3060 -9.3060 -8.5006 -8.5006 -8.5002 -8.5002 -8.3921 -8.3921 -8.3915 -8.3915 -7.0222 -7.0222 -7.0216 -7.0216 -5.8625 -5.8625 -5.8615 -5.8615 -5.5849 -5.5849 -5.5846 -5.5846 -5.5183 -5.5183 -5.5177 -5.5177 -5.2840 -5.2840 -5.2825 -5.2825 -4.8973 -4.8973 -4.8961 -4.8961 -4.7592 -4.7592 -4.7574 -4.7574 -4.5019 -4.5019 -4.5005 -4.5005 -4.4081 -4.4081 -4.4058 -4.4058 -1.9590 -1.9590 -1.9585 -1.9585 0.6081 0.6084 k = 0.5000-0.0000 0.0408 ( 17152 PWs) bands (ev): -23.7836 -23.7836 -23.7827 -23.7827 -23.0396 -23.0396 -23.0386 -23.0386 -21.8534 -21.8534 -21.8533 -21.8533 -21.5434 -21.5434 -21.5434 -21.5434 -14.3634 -14.3634 -14.3627 -14.3627 -10.9275 -10.9275 -10.9271 -10.9271 -9.3828 -9.3828 -9.3824 -9.3824 -9.3064 -9.3064 -9.3060 -9.3060 -8.5006 -8.5006 -8.5003 -8.5003 -8.3920 -8.3920 -8.3915 -8.3915 -7.0222 -7.0222 -7.0216 -7.0216 -5.8625 -5.8625 -5.8616 -5.8616 -5.5855 -5.5855 -5.5853 -5.5853 -5.5169 -5.5169 -5.5165 -5.5165 -5.2845 -5.2845 -5.2835 -5.2835 -4.8935 -4.8935 -4.8927 -4.8927 -4.7650 -4.7650 -4.7637 -4.7637 -4.4965 -4.4965 -4.4955 -4.4955 -4.4104 -4.4104 -4.4088 -4.4088 -1.9590 -1.9590 -1.9585 -1.9585 0.6080 0.6083 k = 0.5000-0.0000 0.0204 ( 17154 PWs) bands (ev): -23.7836 -23.7836 -23.7827 -23.7827 -23.0396 -23.0396 -23.0386 -23.0386 -21.8534 -21.8534 -21.8533 -21.8533 -21.5434 -21.5434 -21.5434 -21.5434 -14.3634 -14.3634 -14.3627 -14.3627 -10.9275 -10.9275 -10.9271 -10.9271 -9.3829 -9.3829 -9.3824 -9.3824 -9.3064 -9.3064 -9.3060 -9.3060 -8.5006 -8.5006 -8.5003 -8.5003 -8.3920 -8.3920 -8.3914 -8.3914 -7.0222 -7.0222 -7.0216 -7.0216 -5.8626 -5.8626 -5.8616 -5.8616 -5.5859 -5.5859 -5.5858 -5.5858 -5.5161 -5.5161 -5.5157 -5.5157 -5.2847 -5.2847 -5.2842 -5.2842 -4.8909 -4.8909 -4.8905 -4.8905 -4.7686 -4.7686 -4.7678 -4.7678 -4.4930 -4.4930 -4.4923 -4.4923 -4.4118 -4.4118 -4.4110 -4.4110 -1.9589 -1.9589 -1.9584 -1.9584 0.6080 0.6082 k = 0.5000-0.0000-0.0000 ( 17148 PWs) bands (ev): -23.7836 -23.7836 -23.7827 -23.7827 -23.0396 -23.0396 -23.0386 -23.0386 -21.8534 -21.8534 -21.8533 -21.8533 -21.5434 -21.5434 -21.5434 -21.5434 -14.3634 -14.3634 -14.3627 -14.3627 -10.9275 -10.9275 -10.9271 -10.9271 -9.3829 -9.3829 -9.3824 -9.3824 -9.3064 -9.3064 -9.3060 -9.3060 -8.5007 -8.5007 -8.5003 -8.5003 -8.3920 -8.3920 -8.3914 -8.3914 -7.0222 -7.0222 -7.0216 -7.0216 -5.8626 -5.8626 -5.8616 -5.8616 -5.5860 -5.5860 -5.5859 -5.5859 -5.5158 -5.5158 -5.5155 -5.5155 -5.2847 -5.2847 -5.2845 -5.2845 -4.8898 -4.8898 -4.8898 -4.8898 -4.7697 -4.7697 -4.7693 -4.7693 -4.4916 -4.4916 -4.4914 -4.4914 -4.4121 -4.4121 -4.4120 -4.4120 -1.9589 -1.9589 -1.9584 -1.9584 0.6080 0.6083 k = 0.0000 0.0000 0.2853 ( 17206 PWs) bands (ev): -23.7838 -23.7838 -23.7830 -23.7830 -23.0396 -23.0396 -23.0386 -23.0386 -21.8525 -21.8525 -21.8523 -21.8523 -21.5441 -21.5441 -21.5440 -21.5440 -14.3637 -14.3637 -14.3630 -14.3630 -10.9245 -10.9245 -10.9240 -10.9240 -9.3900 -9.3900 -9.3895 -9.3895 -9.2995 -9.2995 -9.2990 -9.2990 -8.5052 -8.5052 -8.5049 -8.5049 -8.3808 -8.3808 -8.3802 -8.3802 -7.0200 -7.0200 -7.0194 -7.0194 -5.8474 -5.8474 -5.8464 -5.8464 -5.6319 -5.6319 -5.6317 -5.6317 -5.5472 -5.5472 -5.5470 -5.5470 -5.2825 -5.2825 -5.2823 -5.2823 -4.8381 -4.8381 -4.8377 -4.8377 -4.7583 -4.7583 -4.7581 -4.7581 -4.5757 -4.5757 -4.5752 -4.5752 -4.3531 -4.3531 -4.3530 -4.3530 -1.9671 -1.9671 -1.9666 -1.9666 0.6276 0.6279 k = 0.0208-0.0000 0.2853 ( 17198 PWs) bands (ev): -23.7838 -23.7838 -23.7830 -23.7830 -23.0396 -23.0396 -23.0386 -23.0386 -21.8525 -21.8525 -21.8523 -21.8523 -21.5441 -21.5441 -21.5440 -21.5440 -14.3637 -14.3637 -14.3630 -14.3630 -10.9245 -10.9245 -10.9241 -10.9241 -9.3900 -9.3900 -9.3895 -9.3895 -9.2995 -9.2995 -9.2990 -9.2990 -8.5052 -8.5052 -8.5048 -8.5048 -8.3808 -8.3808 -8.3802 -8.3802 -7.0200 -7.0200 -7.0194 -7.0194 -5.8474 -5.8474 -5.8465 -5.8465 -5.6316 -5.6316 -5.6315 -5.6315 -5.5472 -5.5472 -5.5470 -5.5470 -5.2825 -5.2825 -5.2823 -5.2823 -4.8388 -4.8388 -4.8381 -4.8381 -4.7581 -4.7581 -4.7571 -4.7571 -4.5758 -4.5758 -4.5752 -4.5752 -4.3532 -4.3532 -4.3530 -4.3530 -1.9671 -1.9671 -1.9666 -1.9666 0.6275 0.6278 k = 0.0417-0.0000 0.2853 ( 17206 PWs) bands (ev): -23.7838 -23.7838 -23.7830 -23.7830 -23.0396 -23.0396 -23.0386 -23.0386 -21.8525 -21.8525 -21.8523 -21.8523 -21.5440 -21.5440 -21.5440 -21.5440 -14.3637 -14.3637 -14.3630 -14.3630 -10.9246 -10.9246 -10.9241 -10.9241 -9.3899 -9.3899 -9.3894 -9.3894 -9.2996 -9.2996 -9.2991 -9.2991 -8.5052 -8.5052 -8.5048 -8.5048 -8.3810 -8.3810 -8.3804 -8.3804 -7.0201 -7.0201 -7.0195 -7.0195 -5.8477 -5.8477 -5.8467 -5.8467 -5.6310 -5.6310 -5.6308 -5.6308 -5.5469 -5.5469 -5.5467 -5.5467 -5.2825 -5.2825 -5.2821 -5.2821 -4.8408 -4.8408 -4.8395 -4.8395 -4.7569 -4.7569 -4.7550 -4.7550 -4.5759 -4.5759 -4.5753 -4.5753 -4.3536 -4.3536 -4.3532 -4.3532 -1.9670 -1.9670 -1.9665 -1.9665 0.6273 0.6275 k = 0.0625-0.0000 0.2853 ( 17196 PWs) bands (ev): -23.7838 -23.7838 -23.7830 -23.7830 -23.0396 -23.0396 -23.0386 -23.0386 -21.8525 -21.8525 -21.8524 -21.8524 -21.5440 -21.5440 -21.5440 -21.5440 -14.3637 -14.3637 -14.3630 -14.3630 -10.9246 -10.9246 -10.9242 -10.9242 -9.3898 -9.3898 -9.3893 -9.3893 -9.2997 -9.2997 -9.2992 -9.2992 -8.5050 -8.5050 -8.5047 -8.5047 -8.3812 -8.3812 -8.3806 -8.3806 -7.0201 -7.0201 -7.0195 -7.0195 -5.8480 -5.8480 -5.8470 -5.8470 -5.6300 -5.6300 -5.6298 -5.6298 -5.5466 -5.5466 -5.5464 -5.5464 -5.2825 -5.2825 -5.2819 -5.2819 -4.8438 -4.8438 -4.8420 -4.8420 -4.7546 -4.7546 -4.7520 -4.7520 -4.5760 -4.5760 -4.5755 -4.5755 -4.3541 -4.3541 -4.3536 -4.3536 -1.9668 -1.9668 -1.9663 -1.9663 0.6269 0.6271 k = 0.0833-0.0000 0.2853 ( 17206 PWs) bands (ev): -23.7838 -23.7838 -23.7830 -23.7830 -23.0396 -23.0396 -23.0386 -23.0386 -21.8525 -21.8525 -21.8524 -21.8524 -21.5440 -21.5440 -21.5440 -21.5440 -14.3637 -14.3637 -14.3630 -14.3630 -10.9247 -10.9247 -10.9242 -10.9242 -9.3896 -9.3896 -9.3891 -9.3891 -9.2999 -9.2999 -9.2994 -9.2994 -8.5049 -8.5049 -8.5045 -8.5045 -8.3815 -8.3815 -8.3810 -8.3810 -7.0202 -7.0202 -7.0196 -7.0196 -5.8484 -5.8484 -5.8474 -5.8474 -5.6285 -5.6285 -5.6283 -5.6283 -5.5461 -5.5461 -5.5459 -5.5459 -5.2825 -5.2825 -5.2817 -5.2817 -4.8477 -4.8477 -4.8455 -4.8455 -4.7514 -4.7514 -4.7482 -4.7482 -4.5763 -4.5763 -4.5757 -4.5757 -4.3549 -4.3549 -4.3542 -4.3542 -1.9666 -1.9666 -1.9662 -1.9662 0.6263 0.6266 k = 0.1042-0.0000 0.2853 ( 17222 PWs) bands (ev): -23.7838 -23.7838 -23.7830 -23.7830 -23.0396 -23.0396 -23.0386 -23.0386 -21.8526 -21.8526 -21.8524 -21.8524 -21.5440 -21.5440 -21.5440 -21.5440 -14.3637 -14.3637 -14.3630 -14.3630 -10.9248 -10.9248 -10.9244 -10.9244 -9.3893 -9.3893 -9.3888 -9.3888 -9.3002 -9.3002 -9.2997 -9.2997 -8.5047 -8.5047 -8.5043 -8.5043 -8.3820 -8.3820 -8.3814 -8.3814 -7.0202 -7.0202 -7.0196 -7.0196 -5.8490 -5.8490 -5.8480 -5.8480 -5.6267 -5.6267 -5.6264 -5.6264 -5.5455 -5.5455 -5.5453 -5.5453 -5.2825 -5.2825 -5.2814 -5.2814 -4.8521 -4.8521 -4.8497 -4.8497 -4.7476 -4.7476 -4.7438 -4.7438 -4.5766 -4.5766 -4.5760 -4.5760 -4.3558 -4.3558 -4.3549 -4.3549 -1.9664 -1.9664 -1.9659 -1.9659 0.6257 0.6260 k = 0.1250-0.0000 0.2853 ( 17242 PWs) bands (ev): -23.7838 -23.7838 -23.7830 -23.7830 -23.0396 -23.0396 -23.0386 -23.0386 -21.8526 -21.8526 -21.8525 -21.8525 -21.5440 -21.5440 -21.5440 -21.5440 -14.3637 -14.3637 -14.3630 -14.3630 -10.9249 -10.9249 -10.9245 -10.9245 -9.3890 -9.3890 -9.3886 -9.3886 -9.3004 -9.3004 -9.3000 -9.3000 -8.5045 -8.5045 -8.5041 -8.5041 -8.3825 -8.3825 -8.3819 -8.3819 -7.0203 -7.0203 -7.0197 -7.0197 -5.8497 -5.8497 -5.8486 -5.8486 -5.6244 -5.6244 -5.6241 -5.6241 -5.5448 -5.5448 -5.5445 -5.5445 -5.2824 -5.2824 -5.2811 -5.2811 -4.8571 -4.8571 -4.8545 -4.8545 -4.7431 -4.7431 -4.7388 -4.7388 -4.5770 -4.5770 -4.5763 -4.5763 -4.3570 -4.3570 -4.3558 -4.3558 -1.9661 -1.9661 -1.9656 -1.9656 0.6248 0.6251 k = 0.1458-0.0000 0.2853 ( 17226 PWs) bands (ev): -23.7838 -23.7838 -23.7829 -23.7829 -23.0396 -23.0396 -23.0386 -23.0386 -21.8527 -21.8527 -21.8525 -21.8525 -21.5439 -21.5439 -21.5439 -21.5439 -14.3637 -14.3637 -14.3630 -14.3630 -10.9251 -10.9251 -10.9246 -10.9246 -9.3887 -9.3887 -9.3882 -9.3882 -9.3008 -9.3008 -9.3003 -9.3003 -8.5043 -8.5043 -8.5039 -8.5039 -8.3830 -8.3830 -8.3825 -8.3825 -7.0204 -7.0204 -7.0198 -7.0198 -5.8504 -5.8504 -5.8493 -5.8493 -5.6219 -5.6219 -5.6216 -5.6216 -5.5440 -5.5440 -5.5438 -5.5438 -5.2822 -5.2822 -5.2808 -5.2808 -4.8624 -4.8624 -4.8597 -4.8597 -4.7381 -4.7381 -4.7335 -4.7335 -4.5775 -4.5775 -4.5768 -4.5768 -4.3582 -4.3582 -4.3569 -4.3569 -1.9658 -1.9658 -1.9653 -1.9653 0.6239 0.6241 k = 0.1667-0.0000 0.2853 ( 17224 PWs) bands (ev): -23.7838 -23.7838 -23.7829 -23.7829 -23.0396 -23.0396 -23.0386 -23.0386 -21.8527 -21.8527 -21.8526 -21.8526 -21.5439 -21.5439 -21.5439 -21.5439 -14.3637 -14.3637 -14.3630 -14.3630 -10.9253 -10.9253 -10.9248 -10.9248 -9.3883 -9.3883 -9.3878 -9.3878 -9.3012 -9.3012 -9.3007 -9.3007 -8.5040 -8.5040 -8.5036 -8.5036 -8.3837 -8.3837 -8.3831 -8.3831 -7.0206 -7.0206 -7.0199 -7.0199 -5.8512 -5.8512 -5.8501 -5.8501 -5.6190 -5.6190 -5.6187 -5.6187 -5.5432 -5.5432 -5.5430 -5.5430 -5.2820 -5.2820 -5.2803 -5.2803 -4.8681 -4.8681 -4.8653 -4.8653 -4.7328 -4.7328 -4.7279 -4.7279 -4.5780 -4.5780 -4.5773 -4.5773 -4.3597 -4.3597 -4.3582 -4.3582 -1.9654 -1.9654 -1.9649 -1.9649 0.6229 0.6231 k = 0.1875-0.0000 0.2853 ( 17218 PWs) bands (ev): -23.7837 -23.7837 -23.7829 -23.7829 -23.0396 -23.0396 -23.0386 -23.0386 -21.8528 -21.8528 -21.8526 -21.8526 -21.5439 -21.5439 -21.5439 -21.5439 -14.3636 -14.3636 -14.3629 -14.3629 -10.9254 -10.9254 -10.9250 -10.9250 -9.3879 -9.3879 -9.3874 -9.3874 -9.3016 -9.3016 -9.3011 -9.3011 -8.5037 -8.5037 -8.5033 -8.5033 -8.3844 -8.3844 -8.3838 -8.3838 -7.0207 -7.0207 -7.0201 -7.0201 -5.8521 -5.8521 -5.8509 -5.8509 -5.6159 -5.6159 -5.6155 -5.6155 -5.5423 -5.5423 -5.5421 -5.5421 -5.2817 -5.2817 -5.2798 -5.2798 -4.8739 -4.8739 -4.8711 -4.8711 -4.7273 -4.7273 -4.7221 -4.7221 -4.5787 -4.5787 -4.5778 -4.5778 -4.3613 -4.3613 -4.3595 -4.3595 -1.9651 -1.9651 -1.9646 -1.9645 0.6217 0.6219 k = 0.2083-0.0000 0.2853 ( 17216 PWs) bands (ev): -23.7837 -23.7837 -23.7829 -23.7829 -23.0396 -23.0396 -23.0386 -23.0386 -21.8528 -21.8528 -21.8527 -21.8527 -21.5438 -21.5438 -21.5438 -21.5438 -14.3636 -14.3636 -14.3629 -14.3629 -10.9256 -10.9256 -10.9252 -10.9252 -9.3874 -9.3874 -9.3870 -9.3870 -9.3020 -9.3020 -9.3015 -9.3015 -8.5033 -8.5033 -8.5030 -8.5030 -8.3851 -8.3851 -8.3845 -8.3845 -7.0208 -7.0208 -7.0202 -7.0202 -5.8530 -5.8530 -5.8518 -5.8518 -5.6125 -5.6125 -5.6121 -5.6121 -5.5415 -5.5415 -5.5413 -5.5413 -5.2814 -5.2814 -5.2793 -5.2793 -4.8798 -4.8798 -4.8771 -4.8771 -4.7215 -4.7215 -4.7160 -4.7160 -4.5794 -4.5794 -4.5785 -4.5785 -4.3630 -4.3630 -4.3611 -4.3611 -1.9646 -1.9646 -1.9641 -1.9641 0.6206 0.6207 k = 0.2292-0.0000 0.2853 ( 17198 PWs) bands (ev): -23.7837 -23.7837 -23.7829 -23.7829 -23.0396 -23.0396 -23.0386 -23.0386 -21.8529 -21.8529 -21.8527 -21.8527 -21.5438 -21.5438 -21.5438 -21.5438 -14.3636 -14.3636 -14.3629 -14.3629 -10.9258 -10.9258 -10.9254 -10.9254 -9.3870 -9.3870 -9.3865 -9.3865 -9.3025 -9.3025 -9.3020 -9.3020 -8.5030 -8.5030 -8.5026 -8.5026 -8.3858 -8.3858 -8.3853 -8.3853 -7.0209 -7.0209 -7.0203 -7.0203 -5.8539 -5.8539 -5.8527 -5.8527 -5.6089 -5.6089 -5.6085 -5.6085 -5.5408 -5.5408 -5.5406 -5.5406 -5.2810 -5.2810 -5.2787 -5.2787 -4.8858 -4.8858 -4.8831 -4.8831 -4.7156 -4.7156 -4.7099 -4.7099 -4.5803 -4.5803 -4.5793 -4.5793 -4.3648 -4.3648 -4.3627 -4.3627 -1.9642 -1.9642 -1.9637 -1.9637 0.6194 0.6197 k = 0.2500-0.0000 0.2853 ( 17196 PWs) bands (ev): -23.7837 -23.7837 -23.7829 -23.7829 -23.0396 -23.0396 -23.0386 -23.0386 -21.8530 -21.8530 -21.8528 -21.8528 -21.5438 -21.5438 -21.5437 -21.5437 -14.3636 -14.3636 -14.3629 -14.3629 -10.9260 -10.9260 -10.9256 -10.9256 -9.3865 -9.3865 -9.3860 -9.3860 -9.3029 -9.3029 -9.3024 -9.3024 -8.5027 -8.5027 -8.5023 -8.5023 -8.3866 -8.3866 -8.3860 -8.3860 -7.0211 -7.0211 -7.0205 -7.0205 -5.8548 -5.8548 -5.8536 -5.8536 -5.6052 -5.6052 -5.6048 -5.6048 -5.5402 -5.5402 -5.5399 -5.5399 -5.2805 -5.2805 -5.2780 -5.2780 -4.8918 -4.8918 -4.8891 -4.8891 -4.7096 -4.7096 -4.7037 -4.7037 -4.5812 -4.5812 -4.5801 -4.5801 -4.3668 -4.3668 -4.3644 -4.3644 -1.9638 -1.9638 -1.9633 -1.9633 0.6180 0.6184 k = 0.2708-0.0000 0.2853 ( 17196 PWs) bands (ev): -23.7837 -23.7837 -23.7829 -23.7829 -23.0396 -23.0396 -23.0386 -23.0386 -21.8530 -21.8530 -21.8529 -21.8529 -21.5437 -21.5437 -21.5437 -21.5437 -14.3636 -14.3636 -14.3629 -14.3629 -10.9262 -10.9262 -10.9258 -10.9258 -9.3860 -9.3860 -9.3855 -9.3855 -9.3034 -9.3034 -9.3029 -9.3029 -8.5023 -8.5023 -8.5019 -8.5019 -8.3874 -8.3874 -8.3868 -8.3868 -7.0212 -7.0212 -7.0206 -7.0206 -5.8557 -5.8557 -5.8545 -5.8545 -5.6013 -5.6013 -5.6009 -5.6009 -5.5397 -5.5397 -5.5393 -5.5393 -5.2800 -5.2800 -5.2773 -5.2773 -4.8977 -4.8977 -4.8950 -4.8950 -4.7035 -4.7035 -4.6975 -4.6975 -4.5823 -4.5823 -4.5811 -4.5811 -4.3687 -4.3687 -4.3661 -4.3661 -1.9633 -1.9633 -1.9628 -1.9628 0.6169 0.6171 k = 0.2917-0.0000 0.2853 ( 17188 PWs) bands (ev): -23.7837 -23.7837 -23.7828 -23.7828 -23.0396 -23.0396 -23.0386 -23.0386 -21.8531 -21.8531 -21.8529 -21.8529 -21.5437 -21.5437 -21.5437 -21.5437 -14.3635 -14.3635 -14.3628 -14.3628 -10.9264 -10.9264 -10.9260 -10.9260 -9.3855 -9.3855 -9.3851 -9.3851 -9.3039 -9.3039 -9.3034 -9.3034 -8.5020 -8.5020 -8.5016 -8.5016 -8.3882 -8.3882 -8.3876 -8.3876 -7.0213 -7.0213 -7.0207 -7.0207 -5.8566 -5.8566 -5.8554 -5.8554 -5.5974 -5.5974 -5.5970 -5.5970 -5.5393 -5.5393 -5.5389 -5.5389 -5.2795 -5.2795 -5.2765 -5.2765 -4.9034 -4.9034 -4.9008 -4.9008 -4.6976 -4.6976 -4.6914 -4.6914 -4.5835 -4.5835 -4.5821 -4.5821 -4.3708 -4.3708 -4.3679 -4.3679 -1.9629 -1.9629 -1.9624 -1.9624 0.6155 0.6157 k = 0.3125-0.0000 0.2853 ( 17188 PWs) bands (ev): -23.7836 -23.7836 -23.7828 -23.7828 -23.0396 -23.0396 -23.0386 -23.0386 -21.8531 -21.8531 -21.8530 -21.8530 -21.5436 -21.5436 -21.5436 -21.5436 -14.3635 -14.3635 -14.3628 -14.3628 -10.9266 -10.9266 -10.9262 -10.9262 -9.3851 -9.3851 -9.3846 -9.3846 -9.3043 -9.3043 -9.3039 -9.3039 -8.5016 -8.5016 -8.5013 -8.5013 -8.3889 -8.3889 -8.3883 -8.3883 -7.0215 -7.0215 -7.0209 -7.0209 -5.8575 -5.8575 -5.8562 -5.8562 -5.5935 -5.5935 -5.5930 -5.5930 -5.5392 -5.5392 -5.5387 -5.5387 -5.2789 -5.2789 -5.2757 -5.2757 -4.9088 -4.9088 -4.9063 -4.9063 -4.6917 -4.6917 -4.6853 -4.6853 -4.5848 -4.5848 -4.5833 -4.5833 -4.3728 -4.3728 -4.3697 -4.3697 -1.9625 -1.9625 -1.9620 -1.9620 0.6143 0.6146 k = 0.3333-0.0000 0.2853 ( 17176 PWs) bands (ev): -23.7836 -23.7836 -23.7828 -23.7828 -23.0396 -23.0396 -23.0386 -23.0386 -21.8532 -21.8532 -21.8530 -21.8530 -21.5436 -21.5436 -21.5436 -21.5436 -14.3635 -14.3635 -14.3628 -14.3628 -10.9268 -10.9268 -10.9263 -10.9263 -9.3846 -9.3846 -9.3841 -9.3841 -9.3048 -9.3048 -9.3043 -9.3043 -8.5013 -8.5013 -8.5009 -8.5009 -8.3896 -8.3896 -8.3890 -8.3890 -7.0216 -7.0216 -7.0210 -7.0210 -5.8583 -5.8583 -5.8570 -5.8570 -5.5896 -5.5896 -5.5891 -5.5891 -5.5392 -5.5392 -5.5387 -5.5387 -5.2782 -5.2782 -5.2749 -5.2749 -4.9139 -4.9139 -4.9115 -4.9115 -4.6860 -4.6860 -4.6795 -4.6795 -4.5861 -4.5861 -4.5845 -4.5845 -4.3747 -4.3747 -4.3714 -4.3714 -1.9621 -1.9621 -1.9616 -1.9616 0.6132 0.6135 k = 0.3542-0.0000 0.2853 ( 17172 PWs) bands (ev): -23.7836 -23.7836 -23.7828 -23.7828 -23.0396 -23.0396 -23.0386 -23.0386 -21.8532 -21.8532 -21.8531 -21.8531 -21.5436 -21.5436 -21.5436 -21.5436 -14.3635 -14.3635 -14.3628 -14.3628 -10.9270 -10.9270 -10.9265 -10.9265 -9.3842 -9.3842 -9.3837 -9.3837 -9.3052 -9.3052 -9.3047 -9.3047 -8.5010 -8.5010 -8.5006 -8.5006 -8.3902 -8.3902 -8.3897 -8.3897 -7.0217 -7.0217 -7.0211 -7.0211 -5.8590 -5.8590 -5.8577 -5.8577 -5.5858 -5.5858 -5.5853 -5.5853 -5.5395 -5.5395 -5.5388 -5.5388 -5.2776 -5.2776 -5.2741 -5.2741 -4.9187 -4.9187 -4.9163 -4.9163 -4.6806 -4.6806 -4.6740 -4.6740 -4.5876 -4.5876 -4.5858 -4.5858 -4.3766 -4.3766 -4.3731 -4.3731 -1.9617 -1.9617 -1.9612 -1.9612 0.6123 0.6126 k = 0.3750-0.0000 0.2853 ( 17152 PWs) bands (ev): -23.7836 -23.7836 -23.7828 -23.7828 -23.0396 -23.0396 -23.0386 -23.0386 -21.8533 -21.8533 -21.8531 -21.8531 -21.5435 -21.5435 -21.5435 -21.5435 -14.3635 -14.3635 -14.3628 -14.3628 -10.9271 -10.9271 -10.9266 -10.9266 -9.3838 -9.3838 -9.3833 -9.3833 -9.3056 -9.3056 -9.3051 -9.3051 -8.5007 -8.5007 -8.5004 -8.5004 -8.3908 -8.3908 -8.3903 -8.3903 -7.0218 -7.0218 -7.0212 -7.0212 -5.8597 -5.8597 -5.8584 -5.8584 -5.5822 -5.5822 -5.5816 -5.5816 -5.5399 -5.5399 -5.5392 -5.5392 -5.2770 -5.2770 -5.2733 -5.2733 -4.9229 -4.9229 -4.9207 -4.9207 -4.6755 -4.6755 -4.6687 -4.6687 -4.5890 -4.5890 -4.5872 -4.5872 -4.3783 -4.3783 -4.3746 -4.3746 -1.9614 -1.9614 -1.9608 -1.9608 0.6113 0.6116 k = 0.3958-0.0000 0.2853 ( 17150 PWs) bands (ev): -23.7836 -23.7836 -23.7828 -23.7828 -23.0396 -23.0396 -23.0386 -23.0386 -21.8533 -21.8533 -21.8532 -21.8532 -21.5435 -21.5435 -21.5435 -21.5435 -14.3635 -14.3635 -14.3628 -14.3628 -10.9272 -10.9272 -10.9268 -10.9268 -9.3835 -9.3835 -9.3830 -9.3830 -9.3059 -9.3059 -9.3055 -9.3055 -8.5005 -8.5005 -8.5001 -8.5001 -8.3914 -8.3914 -8.3908 -8.3908 -7.0219 -7.0219 -7.0213 -7.0213 -5.8602 -5.8602 -5.8590 -5.8590 -5.5788 -5.5788 -5.5782 -5.5782 -5.5405 -5.5405 -5.5397 -5.5397 -5.2764 -5.2764 -5.2725 -5.2725 -4.9267 -4.9267 -4.9245 -4.9245 -4.6709 -4.6709 -4.6640 -4.6640 -4.5905 -4.5905 -4.5886 -4.5886 -4.3799 -4.3799 -4.3760 -4.3760 -1.9611 -1.9611 -1.9605 -1.9605 0.6106 0.6108 k = 0.4167-0.0000 0.2853 ( 17146 PWs) bands (ev): -23.7836 -23.7836 -23.7828 -23.7828 -23.0396 -23.0396 -23.0386 -23.0386 -21.8534 -21.8534 -21.8532 -21.8532 -21.5435 -21.5435 -21.5435 -21.5435 -14.3634 -14.3634 -14.3627 -14.3627 -10.9273 -10.9273 -10.9269 -10.9269 -9.3832 -9.3832 -9.3827 -9.3827 -9.3062 -9.3062 -9.3057 -9.3057 -8.5003 -8.5003 -8.4999 -8.4999 -8.3918 -8.3918 -8.3912 -8.3912 -7.0220 -7.0220 -7.0214 -7.0214 -5.8607 -5.8607 -5.8594 -5.8594 -5.5757 -5.5757 -5.5751 -5.5751 -5.5413 -5.5413 -5.5404 -5.5404 -5.2759 -5.2759 -5.2719 -5.2719 -4.9298 -4.9298 -4.9277 -4.9277 -4.6668 -4.6668 -4.6599 -4.6599 -4.5919 -4.5919 -4.5899 -4.5899 -4.3812 -4.3812 -4.3772 -4.3772 -1.9608 -1.9608 -1.9603 -1.9603 0.6098 0.6101 k = 0.4375-0.0000 0.2853 ( 17150 PWs) bands (ev): -23.7836 -23.7836 -23.7828 -23.7828 -23.0396 -23.0396 -23.0386 -23.0386 -21.8534 -21.8534 -21.8532 -21.8532 -21.5435 -21.5435 -21.5435 -21.5435 -14.3634 -14.3634 -14.3627 -14.3627 -10.9274 -10.9274 -10.9270 -10.9270 -9.3829 -9.3829 -9.3824 -9.3824 -9.3065 -9.3065 -9.3060 -9.3060 -8.5001 -8.5001 -8.4997 -8.4997 -8.3921 -8.3921 -8.3916 -8.3916 -7.0220 -7.0220 -7.0214 -7.0214 -5.8611 -5.8611 -5.8598 -5.8598 -5.5731 -5.5731 -5.5724 -5.5724 -5.5421 -5.5421 -5.5410 -5.5410 -5.2755 -5.2755 -5.2714 -5.2714 -4.9324 -4.9324 -4.9302 -4.9302 -4.6635 -4.6635 -4.6564 -4.6564 -4.5931 -4.5931 -4.5911 -4.5911 -4.3823 -4.3823 -4.3782 -4.3782 -1.9606 -1.9606 -1.9601 -1.9601 0.6091 0.6093 k = 0.4583-0.0000 0.2853 ( 17156 PWs) bands (ev): -23.7836 -23.7836 -23.7827 -23.7827 -23.0396 -23.0396 -23.0386 -23.0386 -21.8534 -21.8534 -21.8532 -21.8532 -21.5435 -21.5435 -21.5434 -21.5434 -14.3634 -14.3634 -14.3627 -14.3627 -10.9275 -10.9275 -10.9270 -10.9270 -9.3828 -9.3828 -9.3823 -9.3823 -9.3066 -9.3066 -9.3061 -9.3061 -8.5000 -8.5000 -8.4996 -8.4996 -8.3924 -8.3924 -8.3918 -8.3918 -7.0221 -7.0221 -7.0215 -7.0215 -5.8614 -5.8614 -5.8601 -5.8601 -5.5711 -5.5711 -5.5703 -5.5703 -5.5428 -5.5428 -5.5417 -5.5417 -5.2752 -5.2752 -5.2710 -5.2710 -4.9342 -4.9342 -4.9321 -4.9321 -4.6610 -4.6610 -4.6538 -4.6538 -4.5941 -4.5941 -4.5920 -4.5920 -4.3831 -4.3831 -4.3789 -4.3789 -1.9605 -1.9605 -1.9599 -1.9599 0.6088 0.6090 k = 0.4792-0.0000 0.2853 ( 17160 PWs) bands (ev): -23.7836 -23.7836 -23.7827 -23.7827 -23.0396 -23.0396 -23.0386 -23.0386 -21.8534 -21.8534 -21.8533 -21.8533 -21.5435 -21.5435 -21.5434 -21.5434 -14.3634 -14.3634 -14.3627 -14.3627 -10.9275 -10.9275 -10.9271 -10.9271 -9.3827 -9.3827 -9.3822 -9.3822 -9.3067 -9.3067 -9.3063 -9.3063 -8.4999 -8.4999 -8.4996 -8.4996 -8.3926 -8.3926 -8.3920 -8.3920 -7.0221 -7.0221 -7.0215 -7.0215 -5.8615 -5.8615 -5.8603 -5.8603 -5.5698 -5.5698 -5.5689 -5.5689 -5.5434 -5.5434 -5.5421 -5.5421 -5.2750 -5.2750 -5.2707 -5.2707 -4.9353 -4.9353 -4.9332 -4.9332 -4.6594 -4.6594 -4.6522 -4.6522 -4.5947 -4.5947 -4.5926 -4.5926 -4.3836 -4.3836 -4.3793 -4.3793 -1.9604 -1.9604 -1.9598 -1.9598 0.6086 0.6088 k = 0.5000-0.0000 0.2853 ( 17168 PWs) bands (ev): -23.7836 -23.7836 -23.7827 -23.7827 -23.0396 -23.0396 -23.0386 -23.0386 -21.8534 -21.8534 -21.8533 -21.8533 -21.5435 -21.5435 -21.5434 -21.5434 -14.3634 -14.3634 -14.3627 -14.3627 -10.9276 -10.9276 -10.9271 -10.9271 -9.3826 -9.3826 -9.3821 -9.3821 -9.3068 -9.3068 -9.3063 -9.3063 -8.4999 -8.4999 -8.4995 -8.4995 -8.3926 -8.3926 -8.3920 -8.3920 -7.0221 -7.0221 -7.0215 -7.0215 -5.8616 -5.8616 -5.8603 -5.8603 -5.5693 -5.5693 -5.5684 -5.5684 -5.5436 -5.5436 -5.5423 -5.5423 -5.2749 -5.2749 -5.2707 -5.2707 -4.9357 -4.9357 -4.9336 -4.9336 -4.6589 -4.6589 -4.6517 -4.6517 -4.5949 -4.5949 -4.5929 -4.5929 -4.3838 -4.3838 -4.3794 -4.3794 -1.9603 -1.9603 -1.9598 -1.9598 0.6085 0.6088 Writing output data file HCO2.save init_run : 0.67s CPU 0.80s WALL ( 1 calls) electrons : 631.96s CPU 636.86s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.07s CPU 0.11s WALL ( 1 calls) Called by electrons: c_bands : 631.95s CPU 636.85s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.09s WALL ( 189 calls) cegterg : 599.26s CPU 603.44s WALL ( 580 calls) Called by sum_band: Called by *egterg: h_psi : 336.92s CPU 340.63s WALL ( 10651 calls) s_psi : 10.41s CPU 10.35s WALL ( 10651 calls) g_psi : 0.53s CPU 0.61s WALL ( 9882 calls) cdiaghg : 201.80s CPU 202.41s WALL ( 10071 calls) cegterg:over : 30.16s CPU 30.05s WALL ( 9882 calls) cegterg:upda : 24.89s CPU 25.01s WALL ( 9882 calls) cegterg:last : 12.69s CPU 12.58s WALL ( 1147 calls) cdiaghg:chol : 8.01s CPU 8.25s WALL ( 10071 calls) cdiaghg:inve : 6.21s CPU 6.20s WALL ( 10071 calls) cdiaghg:para : 13.13s CPU 13.00s WALL ( 20142 calls) Called by h_psi: h_psi:vloc : 311.26s CPU 314.79s WALL ( 10651 calls) h_psi:vnl : 24.77s CPU 24.99s WALL ( 10651 calls) add_vuspsi : 9.90s CPU 9.90s WALL ( 10651 calls) General routines calbec : 14.85s CPU 15.06s WALL ( 10651 calls) fft : 0.05s CPU 0.05s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 299.96s CPU 303.50s WALL ( 1024132 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.26s CPU 0.39s WALL ( 378 calls) Parallel routines fft_scatter : 188.01s CPU 190.87s WALL ( 1024155 calls) PWSCF : 11m30.32s CPU 11m50.69s WALL This run was terminated on: 6:27:20 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=