Program PWSCF v.5.4.0 starts on 12Feb2017 at 2:39:41 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./LiH3IN.save/ file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 88 88 24 5183 5183 744 Max 89 89 25 5188 5188 749 Sum 3197 3197 883 186687 186687 26859 bravais-lattice index = 14 lattice parameter (alat) = 11.4839 a.u. unit-cell volume = 1322.5887 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 4 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.483865 celldm(2)= 0.739345 celldm(3)= 1.236136 celldm(4)= 0.294874 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 0.739345 0.000000 ) a(3) = ( 0.000000 0.364505 1.181173 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.352548 -0.417391 ) b(3) = ( 0.000000 0.000000 0.846616 ) PseudoPot. # 1 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. # 2 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for I read from file: /users/gautes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1247 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 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 H 1.00 1.00790 H( 1.00) Li 3.00 6.94100 Li( 1.00) I 7.00 126.90450 I( 1.00) N 5.00 14.00670 N( 1.00) No symmetry found (note: 1 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 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E Cartesian axes number of k points= 245 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040816 k( 2) = ( 0.0000000 0.0000000 0.0192413), wk = 0.0040816 k( 3) = ( 0.0000000 0.0000000 0.0384826), wk = 0.0040816 k( 4) = ( 0.0000000 0.0000000 0.0577238), wk = 0.0040816 k( 5) = ( 0.0000000 0.0000000 0.0769651), wk = 0.0040816 k( 6) = ( 0.0000000 0.0000000 0.0962064), wk = 0.0040816 k( 7) = ( 0.0000000 0.0000000 0.1154477), wk = 0.0040816 k( 8) = ( 0.0000000 0.0000000 0.1346889), wk = 0.0040816 k( 9) = ( 0.0000000 0.0000000 0.1539302), wk = 0.0040816 k( 10) = ( 0.0000000 0.0000000 0.1731715), wk = 0.0040816 k( 11) = ( 0.0000000 0.0000000 0.1924128), wk = 0.0040816 k( 12) = ( 0.0000000 0.0000000 0.2116541), wk = 0.0040816 k( 13) = ( 0.0000000 0.0000000 0.2308953), wk = 0.0040816 k( 14) = ( 0.0000000 0.0000000 0.2501366), wk = 0.0040816 k( 15) = ( 0.0000000 0.0000000 0.2693779), wk = 0.0040816 k( 16) = ( 0.0000000 0.0000000 0.2886192), wk = 0.0040816 k( 17) = ( 0.0000000 0.0000000 0.3078604), wk = 0.0040816 k( 18) = ( 0.0000000 0.0000000 0.3271017), wk = 0.0040816 k( 19) = ( 0.0000000 0.0000000 0.3463430), wk = 0.0040816 k( 20) = ( 0.0000000 0.0000000 0.3655843), wk = 0.0040816 k( 21) = ( 0.0000000 0.0000000 0.3848255), wk = 0.0040816 k( 22) = ( 0.0000000 0.0000000 0.4040668), wk = 0.0040816 k( 23) = ( 0.0000000 0.0000000 0.4233081), wk = 0.0040816 k( 24) = ( 0.0000000 0.0000000 0.4233081), wk = 0.0040816 k( 25) = ( 0.0000000 0.0190639 0.4233081), wk = 0.0040816 k( 26) = ( 0.0000000 0.0381279 0.4233081), wk = 0.0040816 k( 27) = ( 0.0000000 0.0571918 0.4233081), wk = 0.0040816 k( 28) = ( 0.0000000 0.0762557 0.4233081), wk = 0.0040816 k( 29) = ( 0.0000000 0.0953196 0.4233081), wk = 0.0040816 k( 30) = ( 0.0000000 0.1143836 0.4233081), wk = 0.0040816 k( 31) = ( 0.0000000 0.1334475 0.4233081), wk = 0.0040816 k( 32) = ( 0.0000000 0.1525114 0.4233081), wk = 0.0040816 k( 33) = ( 0.0000000 0.1715753 0.4233081), wk = 0.0040816 k( 34) = ( 0.0000000 0.1906393 0.4233081), wk = 0.0040816 k( 35) = ( 0.0000000 0.2097032 0.4233081), wk = 0.0040816 k( 36) = ( 0.0000000 0.2287671 0.4233081), wk = 0.0040816 k( 37) = ( 0.0000000 0.2478310 0.4233081), wk = 0.0040816 k( 38) = ( 0.0000000 0.2668950 0.4233081), wk = 0.0040816 k( 39) = ( 0.0000000 0.2859589 0.4233081), wk = 0.0040816 k( 40) = ( 0.0000000 0.3050228 0.4233081), wk = 0.0040816 k( 41) = ( 0.0000000 0.3240867 0.4233081), wk = 0.0040816 k( 42) = ( 0.0000000 0.3431507 0.4233081), wk = 0.0040816 k( 43) = ( 0.0000000 0.3622146 0.4233081), wk = 0.0040816 k( 44) = ( 0.0000000 0.3812785 0.4233081), wk = 0.0040816 k( 45) = ( 0.0000000 0.4003424 0.4233081), wk = 0.0040816 k( 46) = ( 0.0000000 0.4194064 0.4233081), wk = 0.0040816 k( 47) = ( 0.0000000 0.4384703 0.4233081), wk = 0.0040816 k( 48) = ( 0.0000000 0.4575342 0.4233081), wk = 0.0040816 k( 49) = ( 0.0000000 0.4765981 0.4233081), wk = 0.0040816 k( 50) = ( 0.0000000 0.4956621 0.4233081), wk = 0.0040816 k( 51) = ( 0.0000000 0.5147260 0.4233081), wk = 0.0040816 k( 52) = ( 0.0000000 0.5337899 0.4233081), wk = 0.0040816 k( 53) = ( 0.0000000 0.5528538 0.4233081), wk = 0.0040816 k( 54) = ( 0.0000000 0.5719178 0.4233081), wk = 0.0040816 k( 55) = ( 0.0000000 0.5909817 0.4233081), wk = 0.0040816 k( 56) = ( 0.0000000 0.6100456 0.4233081), wk = 0.0040816 k( 57) = ( 0.0000000 0.6100456 0.4233081), wk = 0.0040816 k( 58) = ( 0.0000000 0.6155647 0.4059168), wk = 0.0040816 k( 59) = ( 0.0000000 0.6210837 0.3885256), wk = 0.0040816 k( 60) = ( 0.0000000 0.6266028 0.3711343), wk = 0.0040816 k( 61) = ( 0.0000000 0.6321218 0.3537430), wk = 0.0040816 k( 62) = ( 0.0000000 0.6376409 0.3363517), wk = 0.0040816 k( 63) = ( 0.0000000 0.6431599 0.3189605), wk = 0.0040816 k( 64) = ( 0.0000000 0.6486790 0.3015692), wk = 0.0040816 k( 65) = ( 0.0000000 0.6541980 0.2841779), wk = 0.0040816 k( 66) = ( 0.0000000 0.6597171 0.2667866), wk = 0.0040816 k( 67) = ( 0.0000000 0.6652361 0.2493954), wk = 0.0040816 k( 68) = ( 0.0000000 0.6707552 0.2320041), wk = 0.0040816 k( 69) = ( 0.0000000 0.6762742 0.2146128), wk = 0.0040816 k( 70) = ( 0.0000000 0.6762742 0.2146128), wk = 0.0040816 k( 71) = ( 0.0192308 0.6762742 0.2146128), wk = 0.0040816 k( 72) = ( 0.0384615 0.6762742 0.2146128), wk = 0.0040816 k( 73) = ( 0.0576923 0.6762742 0.2146128), wk = 0.0040816 k( 74) = ( 0.0769231 0.6762742 0.2146128), wk = 0.0040816 k( 75) = ( 0.0961538 0.6762742 0.2146128), wk = 0.0040816 k( 76) = ( 0.1153846 0.6762742 0.2146128), wk = 0.0040816 k( 77) = ( 0.1346154 0.6762742 0.2146128), wk = 0.0040816 k( 78) = ( 0.1538461 0.6762742 0.2146128), wk = 0.0040816 k( 79) = ( 0.1730769 0.6762742 0.2146128), wk = 0.0040816 k( 80) = ( 0.1923077 0.6762742 0.2146128), wk = 0.0040816 k( 81) = ( 0.2115385 0.6762742 0.2146128), wk = 0.0040816 k( 82) = ( 0.2307692 0.6762742 0.2146128), wk = 0.0040816 k( 83) = ( 0.2500000 0.6762742 0.2146128), wk = 0.0040816 k( 84) = ( 0.2692308 0.6762742 0.2146128), wk = 0.0040816 k( 85) = ( 0.2884615 0.6762742 0.2146128), wk = 0.0040816 k( 86) = ( 0.3076923 0.6762742 0.2146128), wk = 0.0040816 k( 87) = ( 0.3269231 0.6762742 0.2146128), wk = 0.0040816 k( 88) = ( 0.3461538 0.6762742 0.2146128), wk = 0.0040816 k( 89) = ( 0.3653846 0.6762742 0.2146128), wk = 0.0040816 k( 90) = ( 0.3846154 0.6762742 0.2146128), wk = 0.0040816 k( 91) = ( 0.4038462 0.6762742 0.2146128), wk = 0.0040816 k( 92) = ( 0.4230769 0.6762742 0.2146128), wk = 0.0040816 k( 93) = ( 0.4423077 0.6762742 0.2146128), wk = 0.0040816 k( 94) = ( 0.4615385 0.6762742 0.2146128), wk = 0.0040816 k( 95) = ( 0.4807692 0.6762742 0.2146128), wk = 0.0040816 k( 96) = ( 0.5000000 0.6762742 0.2146128), wk = 0.0040816 k( 97) = ( 0.5000000 0.6762742 0.2146128), wk = 0.0040816 k( 98) = ( 0.5000000 0.6817933 0.1972215), wk = 0.0040816 k( 99) = ( 0.5000000 0.6873123 0.1798303), wk = 0.0040816 k( 100) = ( 0.5000000 0.6928313 0.1624390), wk = 0.0040816 k( 101) = ( 0.5000000 0.6983504 0.1450477), wk = 0.0040816 k( 102) = ( 0.5000000 0.7038695 0.1276564), wk = 0.0040816 k( 103) = ( 0.5000000 0.7093885 0.1102652), wk = 0.0040816 k( 104) = ( 0.5000000 0.7149075 0.0928739), wk = 0.0040816 k( 105) = ( 0.5000000 0.7204266 0.0754826), wk = 0.0040816 k( 106) = ( 0.5000000 0.7259456 0.0580913), wk = 0.0040816 k( 107) = ( 0.5000000 0.7314647 0.0407001), wk = 0.0040816 k( 108) = ( 0.5000000 0.7369837 0.0233088), wk = 0.0040816 k( 109) = ( 0.5000000 0.7425028 0.0059175), wk = 0.0040816 k( 110) = ( 0.5000000 0.7425028 0.0059175), wk = 0.0040816 k( 111) = ( 0.5000000 0.7369837 -0.0119669), wk = 0.0040816 k( 112) = ( 0.5000000 0.7314647 -0.0298513), wk = 0.0040816 k( 113) = ( 0.5000000 0.7259456 -0.0477357), wk = 0.0040816 k( 114) = ( 0.5000000 0.7204266 -0.0656201), wk = 0.0040816 k( 115) = ( 0.5000000 0.7149075 -0.0835045), wk = 0.0040816 k( 116) = ( 0.5000000 0.7093885 -0.1013889), wk = 0.0040816 k( 117) = ( 0.5000000 0.7038695 -0.1192733), wk = 0.0040816 k( 118) = ( 0.5000000 0.6983504 -0.1371577), wk = 0.0040816 k( 119) = ( 0.5000000 0.6928313 -0.1550421), wk = 0.0040816 k( 120) = ( 0.5000000 0.6873123 -0.1729265), wk = 0.0040816 k( 121) = ( 0.5000000 0.6817933 -0.1908109), wk = 0.0040816 k( 122) = ( 0.5000000 0.6762742 -0.2086953), wk = 0.0040816 k( 123) = ( 0.5000000 0.6762742 -0.2086953), wk = 0.0040816 k( 124) = ( 0.4807692 0.6762742 -0.2086953), wk = 0.0040816 k( 125) = ( 0.4615385 0.6762742 -0.2086953), wk = 0.0040816 k( 126) = ( 0.4423077 0.6762742 -0.2086953), wk = 0.0040816 k( 127) = ( 0.4230769 0.6762742 -0.2086953), wk = 0.0040816 k( 128) = ( 0.4038462 0.6762742 -0.2086953), wk = 0.0040816 k( 129) = ( 0.3846154 0.6762742 -0.2086953), wk = 0.0040816 k( 130) = ( 0.3653846 0.6762742 -0.2086953), wk = 0.0040816 k( 131) = ( 0.3461538 0.6762742 -0.2086953), wk = 0.0040816 k( 132) = ( 0.3269231 0.6762742 -0.2086953), wk = 0.0040816 k( 133) = ( 0.3076923 0.6762742 -0.2086953), wk = 0.0040816 k( 134) = ( 0.2884615 0.6762742 -0.2086953), wk = 0.0040816 k( 135) = ( 0.2692308 0.6762742 -0.2086953), wk = 0.0040816 k( 136) = ( 0.2500000 0.6762742 -0.2086953), wk = 0.0040816 k( 137) = ( 0.2307692 0.6762742 -0.2086953), wk = 0.0040816 k( 138) = ( 0.2115385 0.6762742 -0.2086953), wk = 0.0040816 k( 139) = ( 0.1923077 0.6762742 -0.2086953), wk = 0.0040816 k( 140) = ( 0.1730769 0.6762742 -0.2086953), wk = 0.0040816 k( 141) = ( 0.1538461 0.6762742 -0.2086953), wk = 0.0040816 k( 142) = ( 0.1346154 0.6762742 -0.2086953), wk = 0.0040816 k( 143) = ( 0.1153846 0.6762742 -0.2086953), wk = 0.0040816 k( 144) = ( 0.0961538 0.6762742 -0.2086953), wk = 0.0040816 k( 145) = ( 0.0769231 0.6762742 -0.2086953), wk = 0.0040816 k( 146) = ( 0.0576923 0.6762742 -0.2086953), wk = 0.0040816 k( 147) = ( 0.0384615 0.6762742 -0.2086953), wk = 0.0040816 k( 148) = ( 0.0192308 0.6762742 -0.2086953), wk = 0.0040816 k( 149) = ( 0.0000000 0.6762742 -0.2086953), wk = 0.0040816 k( 150) = ( 0.0000000 0.6762742 -0.2086953), wk = 0.0040816 k( 151) = ( 0.0000000 0.6817933 -0.1908109), wk = 0.0040816 k( 152) = ( 0.0000000 0.6873123 -0.1729265), wk = 0.0040816 k( 153) = ( 0.0000000 0.6928313 -0.1550421), wk = 0.0040816 k( 154) = ( 0.0000000 0.6983504 -0.1371577), wk = 0.0040816 k( 155) = ( 0.0000000 0.7038695 -0.1192733), wk = 0.0040816 k( 156) = ( 0.0000000 0.7093885 -0.1013889), wk = 0.0040816 k( 157) = ( 0.0000000 0.7149075 -0.0835045), wk = 0.0040816 k( 158) = ( 0.0000000 0.7204266 -0.0656201), wk = 0.0040816 k( 159) = ( 0.0000000 0.7259456 -0.0477357), wk = 0.0040816 k( 160) = ( 0.0000000 0.7314647 -0.0298513), wk = 0.0040816 k( 161) = ( 0.0000000 0.7369837 -0.0119669), wk = 0.0040816 k( 162) = ( 0.0000000 0.7425028 0.0059175), wk = 0.0040816 k( 163) = ( 0.5000000 0.6100456 0.4233081), wk = 0.0040816 k( 164) = ( 0.5000000 0.5909817 0.4233081), wk = 0.0040816 k( 165) = ( 0.5000000 0.5719178 0.4233081), wk = 0.0040816 k( 166) = ( 0.5000000 0.5528538 0.4233081), wk = 0.0040816 k( 167) = ( 0.5000000 0.5337899 0.4233081), wk = 0.0040816 k( 168) = ( 0.5000000 0.5147260 0.4233081), wk = 0.0040816 k( 169) = ( 0.5000000 0.4956621 0.4233081), wk = 0.0040816 k( 170) = ( 0.5000000 0.4765981 0.4233081), wk = 0.0040816 k( 171) = ( 0.5000000 0.4575342 0.4233081), wk = 0.0040816 k( 172) = ( 0.5000000 0.4384703 0.4233081), wk = 0.0040816 k( 173) = ( 0.5000000 0.4194064 0.4233081), wk = 0.0040816 k( 174) = ( 0.5000000 0.4003424 0.4233081), wk = 0.0040816 k( 175) = ( 0.5000000 0.3812785 0.4233081), wk = 0.0040816 k( 176) = ( 0.5000000 0.3622146 0.4233081), wk = 0.0040816 k( 177) = ( 0.5000000 0.3431507 0.4233081), wk = 0.0040816 k( 178) = ( 0.5000000 0.3240867 0.4233081), wk = 0.0040816 k( 179) = ( 0.5000000 0.3050228 0.4233081), wk = 0.0040816 k( 180) = ( 0.5000000 0.2859589 0.4233081), wk = 0.0040816 k( 181) = ( 0.5000000 0.2668950 0.4233081), wk = 0.0040816 k( 182) = ( 0.5000000 0.2478310 0.4233081), wk = 0.0040816 k( 183) = ( 0.5000000 0.2287671 0.4233081), wk = 0.0040816 k( 184) = ( 0.5000000 0.2097032 0.4233081), wk = 0.0040816 k( 185) = ( 0.5000000 0.1906393 0.4233081), wk = 0.0040816 k( 186) = ( 0.5000000 0.1715753 0.4233081), wk = 0.0040816 k( 187) = ( 0.5000000 0.1525114 0.4233081), wk = 0.0040816 k( 188) = ( 0.5000000 0.1334475 0.4233081), wk = 0.0040816 k( 189) = ( 0.5000000 0.1143836 0.4233081), wk = 0.0040816 k( 190) = ( 0.5000000 0.0953196 0.4233081), wk = 0.0040816 k( 191) = ( 0.5000000 0.0762557 0.4233081), wk = 0.0040816 k( 192) = ( 0.5000000 0.0571918 0.4233081), wk = 0.0040816 k( 193) = ( 0.5000000 0.0381279 0.4233081), wk = 0.0040816 k( 194) = ( 0.5000000 0.0190639 0.4233081), wk = 0.0040816 k( 195) = ( 0.5000000 -0.0000000 0.4233081), wk = 0.0040816 k( 196) = ( 0.5000000 -0.0000000 0.4233081), wk = 0.0040816 k( 197) = ( 0.5000000 -0.0000000 0.4040668), wk = 0.0040816 k( 198) = ( 0.5000000 -0.0000000 0.3848255), wk = 0.0040816 k( 199) = ( 0.5000000 -0.0000000 0.3655843), wk = 0.0040816 k( 200) = ( 0.5000000 -0.0000000 0.3463430), wk = 0.0040816 k( 201) = ( 0.5000000 -0.0000000 0.3271017), wk = 0.0040816 k( 202) = ( 0.5000000 -0.0000000 0.3078604), wk = 0.0040816 k( 203) = ( 0.5000000 -0.0000000 0.2886192), wk = 0.0040816 k( 204) = ( 0.5000000 -0.0000000 0.2693779), wk = 0.0040816 k( 205) = ( 0.5000000 -0.0000000 0.2501366), wk = 0.0040816 k( 206) = ( 0.5000000 -0.0000000 0.2308953), wk = 0.0040816 k( 207) = ( 0.5000000 -0.0000000 0.2116541), wk = 0.0040816 k( 208) = ( 0.5000000 -0.0000000 0.1924128), wk = 0.0040816 k( 209) = ( 0.5000000 -0.0000000 0.1731715), wk = 0.0040816 k( 210) = ( 0.5000000 -0.0000000 0.1539302), wk = 0.0040816 k( 211) = ( 0.5000000 -0.0000000 0.1346889), wk = 0.0040816 k( 212) = ( 0.5000000 -0.0000000 0.1154477), wk = 0.0040816 k( 213) = ( 0.5000000 -0.0000000 0.0962064), wk = 0.0040816 k( 214) = ( 0.5000000 -0.0000000 0.0769651), wk = 0.0040816 k( 215) = ( 0.5000000 -0.0000000 0.0577238), wk = 0.0040816 k( 216) = ( 0.5000000 -0.0000000 0.0384826), wk = 0.0040816 k( 217) = ( 0.5000000 -0.0000000 0.0192413), wk = 0.0040816 k( 218) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0040816 k( 219) = ( 0.0000000 0.0000000 0.4233081), wk = 0.0040816 k( 220) = ( 0.0192308 -0.0000000 0.4233081), wk = 0.0040816 k( 221) = ( 0.0384615 -0.0000000 0.4233081), wk = 0.0040816 k( 222) = ( 0.0576923 -0.0000000 0.4233081), wk = 0.0040816 k( 223) = ( 0.0769231 -0.0000000 0.4233081), wk = 0.0040816 k( 224) = ( 0.0961538 -0.0000000 0.4233081), wk = 0.0040816 k( 225) = ( 0.1153846 -0.0000000 0.4233081), wk = 0.0040816 k( 226) = ( 0.1346154 -0.0000000 0.4233081), wk = 0.0040816 k( 227) = ( 0.1538461 -0.0000000 0.4233081), wk = 0.0040816 k( 228) = ( 0.1730769 -0.0000000 0.4233081), wk = 0.0040816 k( 229) = ( 0.1923077 -0.0000000 0.4233081), wk = 0.0040816 k( 230) = ( 0.2115385 -0.0000000 0.4233081), wk = 0.0040816 k( 231) = ( 0.2307692 -0.0000000 0.4233081), wk = 0.0040816 k( 232) = ( 0.2500000 -0.0000000 0.4233081), wk = 0.0040816 k( 233) = ( 0.2692308 -0.0000000 0.4233081), wk = 0.0040816 k( 234) = ( 0.2884615 -0.0000000 0.4233081), wk = 0.0040816 k( 235) = ( 0.3076923 -0.0000000 0.4233081), wk = 0.0040816 k( 236) = ( 0.3269231 -0.0000000 0.4233081), wk = 0.0040816 k( 237) = ( 0.3461538 -0.0000000 0.4233081), wk = 0.0040816 k( 238) = ( 0.3653846 -0.0000000 0.4233081), wk = 0.0040816 k( 239) = ( 0.3846154 -0.0000000 0.4233081), wk = 0.0040816 k( 240) = ( 0.4038462 -0.0000000 0.4233081), wk = 0.0040816 k( 241) = ( 0.4230769 -0.0000000 0.4233081), wk = 0.0040816 k( 242) = ( 0.4423077 -0.0000000 0.4233081), wk = 0.0040816 k( 243) = ( 0.4615385 -0.0000000 0.4233081), wk = 0.0040816 k( 244) = ( 0.4807692 -0.0000000 0.4233081), wk = 0.0040816 k( 245) = ( 0.5000000 -0.0000000 0.4233081), wk = 0.0040816 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040816 k( 2) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0040816 k( 3) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0040816 k( 4) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0040816 k( 5) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0040816 k( 6) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0040816 k( 7) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0040816 k( 8) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0040816 k( 9) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0040816 k( 10) = ( 0.0000000 0.0000000 0.2045454), wk = 0.0040816 k( 11) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0040816 k( 12) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0040816 k( 13) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0040816 k( 14) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0040816 k( 15) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0040816 k( 16) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0040816 k( 17) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0040816 k( 18) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0040816 k( 19) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0040816 k( 20) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0040816 k( 21) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0040816 k( 22) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0040816 k( 23) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0040816 k( 24) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0040816 k( 25) = ( 0.0000000 0.0140948 0.5069489), wk = 0.0040816 k( 26) = ( 0.0000000 0.0281896 0.5138978), wk = 0.0040816 k( 27) = ( 0.0000000 0.0422845 0.5208467), wk = 0.0040816 k( 28) = ( 0.0000000 0.0563793 0.5277956), wk = 0.0040816 k( 29) = ( 0.0000000 0.0704741 0.5347445), wk = 0.0040816 k( 30) = ( 0.0000000 0.0845689 0.5416934), wk = 0.0040816 k( 31) = ( 0.0000000 0.0986637 0.5486422), wk = 0.0040816 k( 32) = ( 0.0000000 0.1127586 0.5555911), wk = 0.0040816 k( 33) = ( 0.0000000 0.1268534 0.5625400), wk = 0.0040816 k( 34) = ( 0.0000000 0.1409482 0.5694889), wk = 0.0040816 k( 35) = ( 0.0000000 0.1550430 0.5764378), wk = 0.0040816 k( 36) = ( 0.0000000 0.1691378 0.5833867), wk = 0.0040816 k( 37) = ( 0.0000000 0.1832326 0.5903356), wk = 0.0040816 k( 38) = ( 0.0000000 0.1973275 0.5972845), wk = 0.0040816 k( 39) = ( 0.0000000 0.2114223 0.6042334), wk = 0.0040816 k( 40) = ( 0.0000000 0.2255171 0.6111823), wk = 0.0040816 k( 41) = ( 0.0000000 0.2396119 0.6181312), wk = 0.0040816 k( 42) = ( 0.0000000 0.2537067 0.6250801), wk = 0.0040816 k( 43) = ( 0.0000000 0.2678016 0.6320290), wk = 0.0040816 k( 44) = ( 0.0000000 0.2818964 0.6389778), wk = 0.0040816 k( 45) = ( 0.0000000 0.2959912 0.6459267), wk = 0.0040816 k( 46) = ( 0.0000000 0.3100860 0.6528756), wk = 0.0040816 k( 47) = ( 0.0000000 0.3241808 0.6598245), wk = 0.0040816 k( 48) = ( 0.0000000 0.3382757 0.6667734), wk = 0.0040816 k( 49) = ( 0.0000000 0.3523705 0.6737223), wk = 0.0040816 k( 50) = ( 0.0000000 0.3664653 0.6806712), wk = 0.0040816 k( 51) = ( 0.0000000 0.3805601 0.6876201), wk = 0.0040816 k( 52) = ( 0.0000000 0.3946549 0.6945690), wk = 0.0040816 k( 53) = ( 0.0000000 0.4087498 0.7015179), wk = 0.0040816 k( 54) = ( 0.0000000 0.4228446 0.7084668), wk = 0.0040816 k( 55) = ( 0.0000000 0.4369394 0.7154157), wk = 0.0040816 k( 56) = ( 0.0000000 0.4510342 0.7223646), wk = 0.0040816 k( 57) = ( 0.0000000 0.4510342 0.7223646), wk = 0.0040816 k( 58) = ( 0.0000000 0.4551147 0.7038342), wk = 0.0040816 k( 59) = ( 0.0000000 0.4591952 0.6853038), wk = 0.0040816 k( 60) = ( 0.0000000 0.4632757 0.6667734), wk = 0.0040816 k( 61) = ( 0.0000000 0.4673562 0.6482430), wk = 0.0040816 k( 62) = ( 0.0000000 0.4714366 0.6297127), wk = 0.0040816 k( 63) = ( 0.0000000 0.4755171 0.6111823), wk = 0.0040816 k( 64) = ( 0.0000000 0.4795976 0.5926519), wk = 0.0040816 k( 65) = ( 0.0000000 0.4836781 0.5741215), wk = 0.0040816 k( 66) = ( 0.0000000 0.4877586 0.5555911), wk = 0.0040816 k( 67) = ( 0.0000000 0.4918390 0.5370608), wk = 0.0040816 k( 68) = ( 0.0000000 0.4959195 0.5185304), wk = 0.0040816 k( 69) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0040816 k( 70) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0040816 k( 71) = ( 0.0192308 0.5000000 0.5000000), wk = 0.0040816 k( 72) = ( 0.0384615 0.5000000 0.5000000), wk = 0.0040816 k( 73) = ( 0.0576923 0.5000000 0.5000000), wk = 0.0040816 k( 74) = ( 0.0769231 0.5000000 0.5000000), wk = 0.0040816 k( 75) = ( 0.0961538 0.5000000 0.5000000), wk = 0.0040816 k( 76) = ( 0.1153846 0.5000000 0.5000000), wk = 0.0040816 k( 77) = ( 0.1346154 0.5000000 0.5000000), wk = 0.0040816 k( 78) = ( 0.1538461 0.5000000 0.5000000), wk = 0.0040816 k( 79) = ( 0.1730769 0.5000000 0.5000000), wk = 0.0040816 k( 80) = ( 0.1923077 0.5000000 0.5000000), wk = 0.0040816 k( 81) = ( 0.2115385 0.5000000 0.5000000), wk = 0.0040816 k( 82) = ( 0.2307692 0.5000000 0.5000000), wk = 0.0040816 k( 83) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0040816 k( 84) = ( 0.2692308 0.5000000 0.5000000), wk = 0.0040816 k( 85) = ( 0.2884615 0.5000000 0.5000000), wk = 0.0040816 k( 86) = ( 0.3076923 0.5000000 0.5000000), wk = 0.0040816 k( 87) = ( 0.3269231 0.5000000 0.5000000), wk = 0.0040816 k( 88) = ( 0.3461538 0.5000000 0.5000000), wk = 0.0040816 k( 89) = ( 0.3653846 0.5000000 0.5000000), wk = 0.0040816 k( 90) = ( 0.3846154 0.5000000 0.5000000), wk = 0.0040816 k( 91) = ( 0.4038462 0.5000000 0.5000000), wk = 0.0040816 k( 92) = ( 0.4230769 0.5000000 0.5000000), wk = 0.0040816 k( 93) = ( 0.4423077 0.5000000 0.5000000), wk = 0.0040816 k( 94) = ( 0.4615385 0.5000000 0.5000000), wk = 0.0040816 k( 95) = ( 0.4807692 0.5000000 0.5000000), wk = 0.0040816 k( 96) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0040816 k( 97) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0040816 k( 98) = ( 0.5000000 0.5040805 0.4814696), wk = 0.0040816 k( 99) = ( 0.5000000 0.5081610 0.4629392), wk = 0.0040816 k( 100) = ( 0.5000000 0.5122414 0.4444089), wk = 0.0040816 k( 101) = ( 0.5000000 0.5163219 0.4258785), wk = 0.0040816 k( 102) = ( 0.5000000 0.5204024 0.4073481), wk = 0.0040816 k( 103) = ( 0.5000000 0.5244829 0.3888177), wk = 0.0040816 k( 104) = ( 0.5000000 0.5285634 0.3702873), wk = 0.0040816 k( 105) = ( 0.5000000 0.5326439 0.3517570), wk = 0.0040816 k( 106) = ( 0.5000000 0.5367243 0.3332266), wk = 0.0040816 k( 107) = ( 0.5000000 0.5408048 0.3146962), wk = 0.0040816 k( 108) = ( 0.5000000 0.5448853 0.2961658), wk = 0.0040816 k( 109) = ( 0.5000000 0.5489658 0.2776354), wk = 0.0040816 k( 110) = ( 0.5000000 0.5489658 0.2776354), wk = 0.0040816 k( 111) = ( 0.5000000 0.5448853 0.2544992), wk = 0.0040816 k( 112) = ( 0.5000000 0.5408048 0.2313629), wk = 0.0040816 k( 113) = ( 0.5000000 0.5367243 0.2082266), wk = 0.0040816 k( 114) = ( 0.5000000 0.5326439 0.1850903), wk = 0.0040816 k( 115) = ( 0.5000000 0.5285634 0.1619540), wk = 0.0040816 k( 116) = ( 0.5000000 0.5244829 0.1388177), wk = 0.0040816 k( 117) = ( 0.5000000 0.5204024 0.1156814), wk = 0.0040816 k( 118) = ( 0.5000000 0.5163219 0.0925452), wk = 0.0040816 k( 119) = ( 0.5000000 0.5122414 0.0694089), wk = 0.0040816 k( 120) = ( 0.5000000 0.5081610 0.0462726), wk = 0.0040816 k( 121) = ( 0.5000000 0.5040805 0.0231363), wk = 0.0040816 k( 122) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0040816 k( 123) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0040816 k( 124) = ( 0.4807692 0.5000000 0.0000000), wk = 0.0040816 k( 125) = ( 0.4615385 0.5000000 0.0000000), wk = 0.0040816 k( 126) = ( 0.4423077 0.5000000 0.0000000), wk = 0.0040816 k( 127) = ( 0.4230769 0.5000000 0.0000000), wk = 0.0040816 k( 128) = ( 0.4038462 0.5000000 0.0000000), wk = 0.0040816 k( 129) = ( 0.3846154 0.5000000 0.0000000), wk = 0.0040816 k( 130) = ( 0.3653846 0.5000000 0.0000000), wk = 0.0040816 k( 131) = ( 0.3461538 0.5000000 0.0000000), wk = 0.0040816 k( 132) = ( 0.3269231 0.5000000 -0.0000000), wk = 0.0040816 k( 133) = ( 0.3076923 0.5000000 -0.0000000), wk = 0.0040816 k( 134) = ( 0.2884615 0.5000000 -0.0000000), wk = 0.0040816 k( 135) = ( 0.2692308 0.5000000 -0.0000000), wk = 0.0040816 k( 136) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0040816 k( 137) = ( 0.2307692 0.5000000 -0.0000000), wk = 0.0040816 k( 138) = ( 0.2115385 0.5000000 -0.0000000), wk = 0.0040816 k( 139) = ( 0.1923077 0.5000000 -0.0000000), wk = 0.0040816 k( 140) = ( 0.1730769 0.5000000 0.0000000), wk = 0.0040816 k( 141) = ( 0.1538461 0.5000000 0.0000000), wk = 0.0040816 k( 142) = ( 0.1346154 0.5000000 0.0000000), wk = 0.0040816 k( 143) = ( 0.1153846 0.5000000 0.0000000), wk = 0.0040816 k( 144) = ( 0.0961538 0.5000000 -0.0000000), wk = 0.0040816 k( 145) = ( 0.0769231 0.5000000 -0.0000000), wk = 0.0040816 k( 146) = ( 0.0576923 0.5000000 -0.0000000), wk = 0.0040816 k( 147) = ( 0.0384615 0.5000000 -0.0000000), wk = 0.0040816 k( 148) = ( 0.0192308 0.5000000 -0.0000000), wk = 0.0040816 k( 149) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0040816 k( 150) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0040816 k( 151) = ( 0.0000000 0.5040805 0.0231363), wk = 0.0040816 k( 152) = ( 0.0000000 0.5081610 0.0462726), wk = 0.0040816 k( 153) = ( 0.0000000 0.5122414 0.0694089), wk = 0.0040816 k( 154) = ( 0.0000000 0.5163219 0.0925451), wk = 0.0040816 k( 155) = ( 0.0000000 0.5204024 0.1156814), wk = 0.0040816 k( 156) = ( 0.0000000 0.5244829 0.1388177), wk = 0.0040816 k( 157) = ( 0.0000000 0.5285634 0.1619540), wk = 0.0040816 k( 158) = ( 0.0000000 0.5326439 0.1850903), wk = 0.0040816 k( 159) = ( 0.0000000 0.5367243 0.2082266), wk = 0.0040816 k( 160) = ( 0.0000000 0.5408048 0.2313629), wk = 0.0040816 k( 161) = ( 0.0000000 0.5448853 0.2544992), wk = 0.0040816 k( 162) = ( 0.0000000 0.5489658 0.2776354), wk = 0.0040816 k( 163) = ( 0.5000000 0.4510342 0.7223646), wk = 0.0040816 k( 164) = ( 0.5000000 0.4369394 0.7154157), wk = 0.0040816 k( 165) = ( 0.5000000 0.4228446 0.7084668), wk = 0.0040816 k( 166) = ( 0.5000000 0.4087498 0.7015179), wk = 0.0040816 k( 167) = ( 0.5000000 0.3946549 0.6945690), wk = 0.0040816 k( 168) = ( 0.5000000 0.3805601 0.6876201), wk = 0.0040816 k( 169) = ( 0.5000000 0.3664653 0.6806712), wk = 0.0040816 k( 170) = ( 0.5000000 0.3523705 0.6737223), wk = 0.0040816 k( 171) = ( 0.5000000 0.3382757 0.6667734), wk = 0.0040816 k( 172) = ( 0.5000000 0.3241809 0.6598245), wk = 0.0040816 k( 173) = ( 0.5000000 0.3100860 0.6528756), wk = 0.0040816 k( 174) = ( 0.5000000 0.2959912 0.6459267), wk = 0.0040816 k( 175) = ( 0.5000000 0.2818964 0.6389778), wk = 0.0040816 k( 176) = ( 0.5000000 0.2678016 0.6320290), wk = 0.0040816 k( 177) = ( 0.5000000 0.2537067 0.6250801), wk = 0.0040816 k( 178) = ( 0.5000000 0.2396119 0.6181312), wk = 0.0040816 k( 179) = ( 0.5000000 0.2255171 0.6111823), wk = 0.0040816 k( 180) = ( 0.5000000 0.2114223 0.6042334), wk = 0.0040816 k( 181) = ( 0.5000000 0.1973275 0.5972845), wk = 0.0040816 k( 182) = ( 0.5000000 0.1832326 0.5903356), wk = 0.0040816 k( 183) = ( 0.5000000 0.1691378 0.5833867), wk = 0.0040816 k( 184) = ( 0.5000000 0.1550430 0.5764378), wk = 0.0040816 k( 185) = ( 0.5000000 0.1409482 0.5694889), wk = 0.0040816 k( 186) = ( 0.5000000 0.1268534 0.5625400), wk = 0.0040816 k( 187) = ( 0.5000000 0.1127586 0.5555911), wk = 0.0040816 k( 188) = ( 0.5000000 0.0986637 0.5486422), wk = 0.0040816 k( 189) = ( 0.5000000 0.0845689 0.5416934), wk = 0.0040816 k( 190) = ( 0.5000000 0.0704741 0.5347445), wk = 0.0040816 k( 191) = ( 0.5000000 0.0563793 0.5277956), wk = 0.0040816 k( 192) = ( 0.5000000 0.0422845 0.5208467), wk = 0.0040816 k( 193) = ( 0.5000000 0.0281896 0.5138978), wk = 0.0040816 k( 194) = ( 0.5000000 0.0140948 0.5069489), wk = 0.0040816 k( 195) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0040816 k( 196) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0040816 k( 197) = ( 0.5000000 0.0000000 0.4772727), wk = 0.0040816 k( 198) = ( 0.5000000 0.0000000 0.4545455), wk = 0.0040816 k( 199) = ( 0.5000000 0.0000000 0.4318182), wk = 0.0040816 k( 200) = ( 0.5000000 0.0000000 0.4090909), wk = 0.0040816 k( 201) = ( 0.5000000 0.0000000 0.3863636), wk = 0.0040816 k( 202) = ( 0.5000000 0.0000000 0.3636364), wk = 0.0040816 k( 203) = ( 0.5000000 0.0000000 0.3409091), wk = 0.0040816 k( 204) = ( 0.5000000 0.0000000 0.3181818), wk = 0.0040816 k( 205) = ( 0.5000000 0.0000000 0.2954545), wk = 0.0040816 k( 206) = ( 0.5000000 0.0000000 0.2727273), wk = 0.0040816 k( 207) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0040816 k( 208) = ( 0.5000000 0.0000000 0.2272727), wk = 0.0040816 k( 209) = ( 0.5000000 0.0000000 0.2045454), wk = 0.0040816 k( 210) = ( 0.5000000 0.0000000 0.1818182), wk = 0.0040816 k( 211) = ( 0.5000000 0.0000000 0.1590909), wk = 0.0040816 k( 212) = ( 0.5000000 0.0000000 0.1363636), wk = 0.0040816 k( 213) = ( 0.5000000 0.0000000 0.1136364), wk = 0.0040816 k( 214) = ( 0.5000000 0.0000000 0.0909091), wk = 0.0040816 k( 215) = ( 0.5000000 0.0000000 0.0681818), wk = 0.0040816 k( 216) = ( 0.5000000 0.0000000 0.0454546), wk = 0.0040816 k( 217) = ( 0.5000000 0.0000000 0.0227273), wk = 0.0040816 k( 218) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0040816 k( 219) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0040816 k( 220) = ( 0.0192308 -0.0000000 0.5000000), wk = 0.0040816 k( 221) = ( 0.0384615 -0.0000000 0.5000000), wk = 0.0040816 k( 222) = ( 0.0576923 0.0000000 0.5000000), wk = 0.0040816 k( 223) = ( 0.0769231 -0.0000000 0.5000000), wk = 0.0040816 k( 224) = ( 0.0961538 0.0000000 0.5000000), wk = 0.0040816 k( 225) = ( 0.1153846 0.0000000 0.5000000), wk = 0.0040816 k( 226) = ( 0.1346154 0.0000000 0.5000000), wk = 0.0040816 k( 227) = ( 0.1538461 0.0000000 0.5000000), wk = 0.0040816 k( 228) = ( 0.1730769 -0.0000000 0.5000000), wk = 0.0040816 k( 229) = ( 0.1923077 0.0000000 0.5000000), wk = 0.0040816 k( 230) = ( 0.2115385 -0.0000000 0.5000000), wk = 0.0040816 k( 231) = ( 0.2307692 0.0000000 0.5000000), wk = 0.0040816 k( 232) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0040816 k( 233) = ( 0.2692308 0.0000000 0.5000000), wk = 0.0040816 k( 234) = ( 0.2884615 -0.0000000 0.5000000), wk = 0.0040816 k( 235) = ( 0.3076923 0.0000000 0.5000000), wk = 0.0040816 k( 236) = ( 0.3269231 0.0000000 0.5000000), wk = 0.0040816 k( 237) = ( 0.3461538 0.0000000 0.5000000), wk = 0.0040816 k( 238) = ( 0.3653846 0.0000000 0.5000000), wk = 0.0040816 k( 239) = ( 0.3846154 0.0000000 0.5000000), wk = 0.0040816 k( 240) = ( 0.4038462 0.0000000 0.5000000), wk = 0.0040816 k( 241) = ( 0.4230769 -0.0000000 0.5000000), wk = 0.0040816 k( 242) = ( 0.4423077 0.0000000 0.5000000), wk = 0.0040816 k( 243) = ( 0.4615385 0.0000000 0.5000000), wk = 0.0040816 k( 244) = ( 0.4807692 0.0000000 0.5000000), wk = 0.0040816 k( 245) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0040816 Dense grid: 186687 G-vectors FFT dimensions: ( 75, 60, 96) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.88 Mb ( 1310, 44) NL pseudopotentials 1.36 Mb ( 655, 136) Each V/rho on FFT grid 0.21 Mb ( 13500) Each G-vector array 0.04 Mb ( 5188) G-vector shells 0.04 Mb ( 4924) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 3.52 Mb ( 1310, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.18 Mb ( 136, 2, 44) The potential is recalculated from file : ./LiH3IN.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.2 secs Computing kpt #: 2 total cpu time spent up to now is 5.5 secs Computing kpt #: 3 total cpu time spent up to now is 6.8 secs Computing kpt #: 4 total cpu time spent up to now is 8.2 secs Computing kpt #: 5 total cpu time spent up to now is 9.5 secs Computing kpt #: 6 total cpu time spent up to now is 10.8 secs Computing kpt #: 7 total cpu time spent up to now is 12.2 secs Computing kpt #: 8 total cpu time spent up to now is 13.5 secs Computing kpt #: 9 total cpu time spent up to now is 14.8 secs Computing kpt #: 10 total cpu time spent up to now is 16.1 secs Computing kpt #: 11 total cpu time spent up to now is 17.5 secs Computing kpt #: 12 total cpu time spent up to now is 18.8 secs Computing kpt #: 13 total cpu time spent up to now is 20.1 secs Computing kpt #: 14 total cpu time spent up to now is 21.3 secs Computing kpt #: 15 total cpu time spent up to now is 22.4 secs Computing kpt #: 16 total cpu time spent up to now is 23.6 secs Computing kpt #: 17 total cpu time spent up to now is 24.7 secs Computing kpt #: 18 total cpu time spent up to now is 25.9 secs Computing kpt #: 19 total cpu time spent up to now is 27.5 secs Computing kpt #: 20 total cpu time spent up to now is 28.8 secs Computing kpt #: 21 total cpu time spent up to now is 30.1 secs Computing kpt #: 22 total cpu time spent up to now is 31.5 secs Computing kpt #: 23 total cpu time spent up to now is 32.8 secs Computing kpt #: 24 total cpu time spent up to now is 34.1 secs Computing kpt #: 25 total cpu time spent up to now is 35.4 secs Computing kpt #: 26 total cpu time spent up to now is 36.8 secs Computing kpt #: 27 total cpu time spent up to now is 38.1 secs Computing kpt #: 28 total cpu time spent up to now is 39.4 secs Computing kpt #: 29 total cpu time spent up to now is 40.8 secs Computing kpt #: 30 total cpu time spent up to now is 42.1 secs Computing kpt #: 31 total cpu time spent up to now is 43.5 secs Computing kpt #: 32 total cpu time spent up to now is 44.8 secs Computing kpt #: 33 total cpu time spent up to now is 46.1 secs Computing kpt #: 34 total cpu time spent up to now is 47.4 secs Computing kpt #: 35 total cpu time spent up to now is 48.8 secs Computing kpt #: 36 total cpu time spent up to now is 50.2 secs Computing kpt #: 37 total cpu time spent up to now is 51.5 secs Computing kpt #: 38 total cpu time spent up to now is 52.9 secs Computing kpt #: 39 total cpu time spent up to now is 54.2 secs Computing kpt #: 40 total cpu time spent up to now is 55.5 secs Computing kpt #: 41 total cpu time spent up to now is 56.9 secs Computing kpt #: 42 total cpu time spent up to now is 58.2 secs Computing kpt #: 43 total cpu time spent up to now is 59.6 secs Computing kpt #: 44 total cpu time spent up to now is 60.9 secs Computing kpt #: 45 total cpu time spent up to now is 62.3 secs Computing kpt #: 46 total cpu time spent up to now is 63.6 secs Computing kpt #: 47 total cpu time spent up to now is 64.9 secs Computing kpt #: 48 total cpu time spent up to now is 66.3 secs Computing kpt #: 49 total cpu time spent up to now is 67.6 secs Computing kpt #: 50 total cpu time spent up to now is 68.8 secs Computing kpt #: 51 total cpu time spent up to now is 70.0 secs Computing kpt #: 52 total cpu time spent up to now is 71.2 secs Computing kpt #: 53 total cpu time spent up to now is 72.4 secs Computing kpt #: 54 total cpu time spent up to now is 73.6 secs Computing kpt #: 55 total cpu time spent up to now is 74.6 secs Computing kpt #: 56 total cpu time spent up to now is 75.8 secs Computing kpt #: 57 total cpu time spent up to now is 77.0 secs Computing kpt #: 58 total cpu time spent up to now is 78.2 secs Computing kpt #: 59 total cpu time spent up to now is 79.3 secs Computing kpt #: 60 total cpu time spent up to now is 80.4 secs Computing kpt #: 61 total cpu time spent up to now is 81.6 secs Computing kpt #: 62 total cpu time spent up to now is 82.8 secs Computing kpt #: 63 total cpu time spent up to now is 84.0 secs Computing kpt #: 64 total cpu time spent up to now is 85.2 secs Computing kpt #: 65 total cpu time spent up to now is 86.4 secs Computing kpt #: 66 total cpu time spent up to now is 87.6 secs Computing kpt #: 67 total cpu time spent up to now is 88.8 secs Computing kpt #: 68 total cpu time spent up to now is 89.9 secs Computing kpt #: 69 total cpu time spent up to now is 91.0 secs Computing kpt #: 70 total cpu time spent up to now is 92.2 secs Computing kpt #: 71 total cpu time spent up to now is 93.4 secs Computing kpt #: 72 total cpu time spent up to now is 94.6 secs Computing kpt #: 73 total cpu time spent up to now is 95.7 secs Computing kpt #: 74 total cpu time spent up to now is 96.8 secs Computing kpt #: 75 total cpu time spent up to now is 98.0 secs Computing kpt #: 76 total cpu time spent up to now is 99.2 secs Computing kpt #: 77 total cpu time spent up to now is 100.3 secs Computing kpt #: 78 total cpu time spent up to now is 101.4 secs Computing kpt #: 79 total cpu time spent up to now is 102.6 secs Computing kpt #: 80 total cpu time spent up to now is 103.8 secs Computing kpt #: 81 total cpu time spent up to now is 104.9 secs Computing kpt #: 82 total cpu time spent up to now is 106.0 secs Computing kpt #: 83 total cpu time spent up to now is 107.2 secs Computing kpt #: 84 total cpu time spent up to now is 108.4 secs Computing kpt #: 85 total cpu time spent up to now is 109.5 secs Computing kpt #: 86 total cpu time spent up to now is 110.6 secs Computing kpt #: 87 total cpu time spent up to now is 111.8 secs Computing kpt #: 88 total cpu time spent up to now is 112.9 secs Computing kpt #: 89 total cpu time spent up to now is 114.0 secs Computing kpt #: 90 total cpu time spent up to now is 115.1 secs Computing kpt #: 91 total cpu time spent up to now is 116.2 secs Computing kpt #: 92 total cpu time spent up to now is 117.4 secs Computing kpt #: 93 total cpu time spent up to now is 118.5 secs Computing kpt #: 94 total cpu time spent up to now is 119.6 secs Computing kpt #: 95 total cpu time spent up to now is 120.8 secs Computing kpt #: 96 total cpu time spent up to now is 121.9 secs Computing kpt #: 97 total cpu time spent up to now is 123.0 secs Computing kpt #: 98 total cpu time spent up to now is 124.1 secs Computing kpt #: 99 total cpu time spent up to now is 125.2 secs Computing kpt #: 100 total cpu time spent up to now is 126.4 secs Computing kpt #: 101 total cpu time spent up to now is 127.5 secs Computing kpt #: 102 total cpu time spent up to now is 128.6 secs Computing kpt #: 103 total cpu time spent up to now is 129.8 secs Computing kpt #: 104 total cpu time spent up to now is 130.9 secs Computing kpt #: 105 total cpu time spent up to now is 132.0 secs Computing kpt #: 106 total cpu time spent up to now is 133.2 secs Computing kpt #: 107 total cpu time spent up to now is 134.4 secs Computing kpt #: 108 total cpu time spent up to now is 135.6 secs Computing kpt #: 109 total cpu time spent up to now is 136.8 secs Computing kpt #: 110 total cpu time spent up to now is 138.0 secs Computing kpt #: 111 total cpu time spent up to now is 139.3 secs Computing kpt #: 112 total cpu time spent up to now is 140.5 secs Computing kpt #: 113 total cpu time spent up to now is 141.7 secs Computing kpt #: 114 total cpu time spent up to now is 142.9 secs Computing kpt #: 115 total cpu time spent up to now is 144.1 secs Computing kpt #: 116 total cpu time spent up to now is 145.2 secs Computing kpt #: 117 total cpu time spent up to now is 146.4 secs Computing kpt #: 118 total cpu time spent up to now is 147.6 secs Computing kpt #: 119 total cpu time spent up to now is 148.7 secs Computing kpt #: 120 total cpu time spent up to now is 149.8 secs Computing kpt #: 121 total cpu time spent up to now is 151.1 secs Computing kpt #: 122 total cpu time spent up to now is 152.3 secs Computing kpt #: 123 total cpu time spent up to now is 153.4 secs Computing kpt #: 124 total cpu time spent up to now is 154.6 secs Computing kpt #: 125 total cpu time spent up to now is 155.7 secs Computing kpt #: 126 total cpu time spent up to now is 156.9 secs Computing kpt #: 127 total cpu time spent up to now is 158.0 secs Computing kpt #: 128 total cpu time spent up to now is 159.2 secs Computing kpt #: 129 total cpu time spent up to now is 160.4 secs Computing kpt #: 130 total cpu time spent up to now is 161.6 secs Computing kpt #: 131 total cpu time spent up to now is 162.8 secs Computing kpt #: 132 total cpu time spent up to now is 163.9 secs Computing kpt #: 133 total cpu time spent up to now is 165.0 secs Computing kpt #: 134 total cpu time spent up to now is 166.2 secs Computing kpt #: 135 total cpu time spent up to now is 167.3 secs Computing kpt #: 136 total cpu time spent up to now is 168.4 secs Computing kpt #: 137 total cpu time spent up to now is 169.5 secs Computing kpt #: 138 total cpu time spent up to now is 170.6 secs Computing kpt #: 139 total cpu time spent up to now is 171.8 secs Computing kpt #: 140 total cpu time spent up to now is 172.9 secs Computing kpt #: 141 total cpu time spent up to now is 174.1 secs Computing kpt #: 142 total cpu time spent up to now is 175.2 secs Computing kpt #: 143 total cpu time spent up to now is 176.8 secs Computing kpt #: 144 total cpu time spent up to now is 178.2 secs Computing kpt #: 145 total cpu time spent up to now is 179.3 secs Computing kpt #: 146 total cpu time spent up to now is 180.4 secs Computing kpt #: 147 total cpu time spent up to now is 181.6 secs Computing kpt #: 148 total cpu time spent up to now is 182.7 secs Computing kpt #: 149 total cpu time spent up to now is 183.8 secs Computing kpt #: 150 total cpu time spent up to now is 185.0 secs Computing kpt #: 151 total cpu time spent up to now is 186.1 secs Computing kpt #: 152 total cpu time spent up to now is 187.2 secs Computing kpt #: 153 total cpu time spent up to now is 188.4 secs Computing kpt #: 154 total cpu time spent up to now is 189.5 secs Computing kpt #: 155 total cpu time spent up to now is 190.6 secs Computing kpt #: 156 total cpu time spent up to now is 191.7 secs Computing kpt #: 157 total cpu time spent up to now is 192.9 secs Computing kpt #: 158 total cpu time spent up to now is 194.0 secs Computing kpt #: 159 total cpu time spent up to now is 195.1 secs Computing kpt #: 160 total cpu time spent up to now is 196.3 secs Computing kpt #: 161 total cpu time spent up to now is 197.4 secs Computing kpt #: 162 total cpu time spent up to now is 198.6 secs Computing kpt #: 163 total cpu time spent up to now is 199.8 secs Computing kpt #: 164 total cpu time spent up to now is 201.1 secs Computing kpt #: 165 total cpu time spent up to now is 202.3 secs Computing kpt #: 166 total cpu time spent up to now is 203.7 secs Computing kpt #: 167 total cpu time spent up to now is 205.0 secs Computing kpt #: 168 total cpu time spent up to now is 206.4 secs Computing kpt #: 169 total cpu time spent up to now is 207.7 secs Computing kpt #: 170 total cpu time spent up to now is 209.1 secs Computing kpt #: 171 total cpu time spent up to now is 210.5 secs Computing kpt #: 172 total cpu time spent up to now is 211.8 secs Computing kpt #: 173 total cpu time spent up to now is 213.1 secs Computing kpt #: 174 total cpu time spent up to now is 214.3 secs Computing kpt #: 175 total cpu time spent up to now is 215.5 secs Computing kpt #: 176 total cpu time spent up to now is 216.7 secs Computing kpt #: 177 total cpu time spent up to now is 217.9 secs Computing kpt #: 178 total cpu time spent up to now is 219.1 secs Computing kpt #: 179 total cpu time spent up to now is 220.3 secs Computing kpt #: 180 total cpu time spent up to now is 221.5 secs Computing kpt #: 181 total cpu time spent up to now is 222.7 secs Computing kpt #: 182 total cpu time spent up to now is 223.9 secs Computing kpt #: 183 total cpu time spent up to now is 225.0 secs Computing kpt #: 184 total cpu time spent up to now is 226.2 secs Computing kpt #: 185 total cpu time spent up to now is 227.4 secs Computing kpt #: 186 total cpu time spent up to now is 228.6 secs Computing kpt #: 187 total cpu time spent up to now is 229.8 secs Computing kpt #: 188 total cpu time spent up to now is 231.0 secs Computing kpt #: 189 total cpu time spent up to now is 232.3 secs Computing kpt #: 190 total cpu time spent up to now is 233.5 secs Computing kpt #: 191 total cpu time spent up to now is 234.8 secs Computing kpt #: 192 total cpu time spent up to now is 236.2 secs Computing kpt #: 193 total cpu time spent up to now is 237.5 secs Computing kpt #: 194 total cpu time spent up to now is 238.7 secs Computing kpt #: 195 total cpu time spent up to now is 240.1 secs Computing kpt #: 196 total cpu time spent up to now is 241.4 secs Computing kpt #: 197 total cpu time spent up to now is 242.8 secs Computing kpt #: 198 total cpu time spent up to now is 244.1 secs Computing kpt #: 199 total cpu time spent up to now is 245.5 secs Computing kpt #: 200 total cpu time spent up to now is 246.8 secs Computing kpt #: 201 total cpu time spent up to now is 248.1 secs Computing kpt #: 202 total cpu time spent up to now is 249.5 secs Computing kpt #: 203 total cpu time spent up to now is 250.7 secs Computing kpt #: 204 total cpu time spent up to now is 251.9 secs Computing kpt #: 205 total cpu time spent up to now is 253.2 secs Computing kpt #: 206 total cpu time spent up to now is 254.4 secs Computing kpt #: 207 total cpu time spent up to now is 255.5 secs Computing kpt #: 208 total cpu time spent up to now is 256.7 secs Computing kpt #: 209 total cpu time spent up to now is 257.9 secs Computing kpt #: 210 total cpu time spent up to now is 259.1 secs Computing kpt #: 211 total cpu time spent up to now is 260.2 secs Computing kpt #: 212 total cpu time spent up to now is 261.4 secs Computing kpt #: 213 total cpu time spent up to now is 262.5 secs Computing kpt #: 214 total cpu time spent up to now is 263.6 secs Computing kpt #: 215 total cpu time spent up to now is 264.8 secs Computing kpt #: 216 total cpu time spent up to now is 265.9 secs Computing kpt #: 217 total cpu time spent up to now is 267.0 secs Computing kpt #: 218 total cpu time spent up to now is 268.1 secs Computing kpt #: 219 total cpu time spent up to now is 269.5 secs Computing kpt #: 220 total cpu time spent up to now is 270.8 secs Computing kpt #: 221 total cpu time spent up to now is 272.2 secs Computing kpt #: 222 total cpu time spent up to now is 273.5 secs Computing kpt #: 223 total cpu time spent up to now is 274.9 secs Computing kpt #: 224 total cpu time spent up to now is 276.3 secs Computing kpt #: 225 total cpu time spent up to now is 277.6 secs Computing kpt #: 226 total cpu time spent up to now is 279.0 secs Computing kpt #: 227 total cpu time spent up to now is 280.5 secs Computing kpt #: 228 total cpu time spent up to now is 281.9 secs Computing kpt #: 229 total cpu time spent up to now is 283.3 secs Computing kpt #: 230 total cpu time spent up to now is 284.6 secs Computing kpt #: 231 total cpu time spent up to now is 286.0 secs Computing kpt #: 232 total cpu time spent up to now is 287.3 secs Computing kpt #: 233 total cpu time spent up to now is 288.7 secs Computing kpt #: 234 total cpu time spent up to now is 290.1 secs Computing kpt #: 235 total cpu time spent up to now is 291.3 secs Computing kpt #: 236 total cpu time spent up to now is 292.5 secs Computing kpt #: 237 total cpu time spent up to now is 293.7 secs Computing kpt #: 238 total cpu time spent up to now is 295.1 secs Computing kpt #: 239 total cpu time spent up to now is 296.3 secs Computing kpt #: 240 total cpu time spent up to now is 297.7 secs Computing kpt #: 241 total cpu time spent up to now is 299.1 secs Computing kpt #: 242 total cpu time spent up to now is 300.4 secs Computing kpt #: 243 total cpu time spent up to now is 301.8 secs Computing kpt #: 244 total cpu time spent up to now is 303.1 secs Computing kpt #: 245 total cpu time spent up to now is 304.5 secs ethr = 2.78E-08, avg # of iterations = 19.9 total cpu time spent up to now is 304.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 23363 PWs) bands (ev): -43.8443 -43.8443 -43.8441 -43.8441 -19.7775 -19.7775 -19.7202 -19.7202 -10.6300 -10.6300 -10.4687 -10.4687 -7.7150 -7.7150 -7.7025 -7.7025 -5.4249 -5.4249 -5.3508 -5.3508 -2.9115 -2.9115 -2.4317 -2.4317 -1.4244 -1.4244 -0.8014 -0.8014 -0.6802 -0.6802 -0.2529 -0.2529 0.1149 0.1149 0.2740 0.2740 4.0988 4.0988 5.3027 5.3027 6.0951 6.0951 6.6236 6.6236 k = 0.0000 0.0000 0.0192 ( 23354 PWs) bands (ev): -43.8443 -43.8443 -43.8441 -43.8441 -19.7775 -19.7775 -19.7202 -19.7202 -10.6300 -10.6300 -10.4687 -10.4687 -7.7150 -7.7149 -7.7023 -7.7022 -5.4249 -5.4248 -5.3510 -5.3509 -2.9114 -2.9111 -2.4323 -2.4316 -1.4244 -1.4239 -0.8035 -0.8012 -0.6827 -0.6769 -0.2532 -0.2524 0.1116 0.1159 0.2733 0.2746 4.1014 4.1032 5.3046 5.3050 6.0917 6.0951 6.6230 6.6242 k = 0.0000 0.0000 0.0385 ( 23353 PWs) bands (ev): -43.8443 -43.8443 -43.8441 -43.8441 -19.7775 -19.7775 -19.7202 -19.7202 -10.6302 -10.6302 -10.4688 -10.4688 -7.7150 -7.7147 -7.7017 -7.7014 -5.4249 -5.4247 -5.3513 -5.3511 -2.9108 -2.9102 -2.4336 -2.4321 -1.4241 -1.4231 -0.8071 -0.8028 -0.6843 -0.6731 -0.2533 -0.2517 0.1062 0.1147 0.2723 0.2749 4.1108 4.1144 5.3106 5.3113 6.0848 6.0916 6.6223 6.6247 k = 0.0000 0.0000 0.0577 ( 23341 PWs) bands (ev): -43.8443 -43.8443 -43.8441 -43.8441 -19.7775 -19.7775 -19.7202 -19.7202 -10.6305 -10.6305 -10.4691 -10.4691 -7.7148 -7.7143 -7.7005 -7.7001 -5.4247 -5.4244 -5.3518 -5.3515 -2.9097 -2.9088 -2.4355 -2.4333 -1.4232 -1.4218 -0.8121 -0.8065 -0.6850 -0.6690 -0.2533 -0.2508 0.0986 0.1111 0.2711 0.2749 4.1270 4.1323 5.3206 5.3215 6.0749 6.0850 6.6213 6.6246 k = 0.0000 0.0000 0.0770 ( 23326 PWs) bands (ev): -43.8443 -43.8443 -43.8441 -43.8441 -19.7774 -19.7774 -19.7202 -19.7202 -10.6308 -10.6308 -10.4694 -10.4694 -7.7144 -7.7139 -7.6990 -7.6985 -5.4244 -5.4240 -5.3524 -5.3521 -2.9080 -2.9069 -2.4378 -2.4350 -1.4220 -1.4200 -0.8183 -0.8120 -0.6846 -0.6647 -0.2530 -0.2497 0.0892 0.1053 0.2698 0.2746 4.1498 4.1568 5.3344 5.3355 6.0624 6.0757 6.6194 6.6236 k = 0.0000 0.0000 0.0962 ( 23328 PWs) bands (ev): -43.8443 -43.8443 -43.8441 -43.8441 -19.7774 -19.7774 -19.7202 -19.7202 -10.6313 -10.6313 -10.4697 -10.4697 -7.7139 -7.7133 -7.6971 -7.6966 -5.4241 -5.4236 -5.3532 -5.3528 -2.9060 -2.9045 -2.4407 -2.4373 -1.4202 -1.4179 -0.8255 -0.8193 -0.6833 -0.6605 -0.2526 -0.2485 0.0782 0.0975 0.2685 0.2742 4.1790 4.1876 5.3515 5.3528 6.0478 6.0643 6.6160 6.6210 k = 0.0000 0.0000 0.1154 ( 23331 PWs) bands (ev): -43.8443 -43.8443 -43.8441 -43.8441 -19.7774 -19.7774 -19.7202 -19.7202 -10.6319 -10.6319 -10.4702 -10.4702 -7.7131 -7.7125 -7.6950 -7.6944 -5.4237 -5.4231 -5.3542 -5.3537 -2.9034 -2.9018 -2.4441 -2.4402 -1.4181 -1.4153 -0.8336 -0.8282 -0.6814 -0.6565 -0.2520 -0.2471 0.0657 0.0878 0.2671 0.2735 4.2142 4.2243 5.3717 5.3730 6.0318 6.0515 6.6107 6.6162 k = 0.0000 0.0000 0.1347 ( 23335 PWs) bands (ev): -43.8443 -43.8443 -43.8441 -43.8441 -19.7774 -19.7774 -19.7202 -19.7202 -10.6325 -10.6325 -10.4707 -10.4707 -7.7122 -7.7115 -7.6926 -7.6920 -5.4231 -5.4225 -5.3553 -5.3548 -2.9005 -2.8986 -2.4479 -2.4435 -1.4154 -1.4123 -0.8425 -0.8383 -0.6789 -0.6527 -0.2513 -0.2455 0.0522 0.0766 0.2658 0.2726 4.2551 4.2667 5.3942 5.3954 6.0151 6.0381 6.6030 6.6089 k = 0.0000 0.0000 0.1539 ( 23325 PWs) bands (ev): -43.8443 -43.8443 -43.8441 -43.8441 -19.7774 -19.7774 -19.7202 -19.7202 -10.6332 -10.6332 -10.4712 -10.4712 -7.7111 -7.7104 -7.6901 -7.6895 -5.4225 -5.4218 -5.3566 -5.3560 -2.8972 -2.8952 -2.4520 -2.4473 -1.4124 -1.4089 -0.8522 -0.8494 -0.6759 -0.6492 -0.2504 -0.2438 0.0378 0.0640 0.2644 0.2716 4.3013 4.3143 5.4182 5.4192 5.9985 6.0247 6.5928 6.5991 k = 0.0000 0.0000 0.1732 ( 23329 PWs) bands (ev): -43.8443 -43.8443 -43.8441 -43.8441 -19.7774 -19.7774 -19.7202 -19.7202 -10.6339 -10.6339 -10.4718 -10.4718 -7.7098 -7.7092 -7.6875 -7.6869 -5.4218 -5.4210 -5.3579 -5.3573 -2.8936 -2.8914 -2.4565 -2.4514 -1.4088 -1.4050 -0.8627 -0.8612 -0.6728 -0.6461 -0.2493 -0.2421 0.0230 0.0503 0.2631 0.2705 4.3524 4.3667 5.4427 5.4434 5.9826 6.0122 6.5805 6.5871 k = 0.0000 0.0000 0.1924 ( 23317 PWs) bands (ev): -43.8443 -43.8443 -43.8441 -43.8441 -19.7774 -19.7774 -19.7202 -19.7202 -10.6346 -10.6346 -10.4724 -10.4724 -7.7084 -7.7078 -7.6849 -7.6843 -5.4210 -5.4202 -5.3594 -5.3587 -2.8897 -2.8874 -2.4611 -2.4559 -1.4049 -1.4008 -0.8746 -0.8727 -0.6694 -0.6432 -0.2482 -0.2402 0.0080 0.0360 0.2619 0.2693 4.4079 4.4235 5.4663 5.4667 5.9684 6.0011 6.5667 6.5736 k = 0.0000 0.0000 0.2117 ( 23321 PWs) bands (ev): -43.8443 -43.8443 -43.8441 -43.8441 -19.7774 -19.7774 -19.7202 -19.7202 -10.6354 -10.6354 -10.4730 -10.4730 -7.7069 -7.7063 -7.6822 -7.6817 -5.4202 -5.4193 -5.3609 -5.3602 -2.8857 -2.8833 -2.4659 -2.4606 -1.4006 -1.3961 -0.8874 -0.8841 -0.6660 -0.6408 -0.2469 -0.2383 -0.0068 0.0212 0.2607 0.2680 4.4672 4.4840 5.4874 5.4876 5.9564 5.9922 6.5527 6.5597 k = 0.0000 0.0000 0.2309 ( 23329 PWs) bands (ev): -43.8443 -43.8443 -43.8441 -43.8441 -19.7773 -19.7773 -19.7202 -19.7202 -10.6362 -10.6362 -10.4737 -10.4737 -7.7053 -7.7048 -7.6796 -7.6791 -5.4192 -5.4183 -5.3626 -5.3618 -2.8815 -2.8791 -2.4708 -2.4655 -1.3959 -1.3912 -0.9005 -0.8956 -0.6626 -0.6387 -0.2456 -0.2364 -0.0212 0.0064 0.2596 0.2666 4.5299 4.5477 5.5040 5.5043 5.9475 5.9856 6.5404 6.5473 k = 0.0000 0.0000 0.2501 ( 23334 PWs) bands (ev): -43.8443 -43.8443 -43.8441 -43.8441 -19.7773 -19.7773 -19.7202 -19.7202 -10.6369 -10.6369 -10.4743 -10.4743 -7.7037 -7.7032 -7.6771 -7.6766 -5.4182 -5.4173 -5.3642 -5.3634 -2.8773 -2.8749 -2.4755 -2.4704 -1.3909 -1.3861 -0.9135 -0.9073 -0.6593 -0.6369 -0.2441 -0.2345 -0.0349 -0.0082 0.2586 0.2653 4.5953 4.6141 5.5146 5.5153 5.9420 5.9812 6.5318 6.5382 k = 0.0000 0.0000 0.2694 ( 23336 PWs) bands (ev): -43.8443 -43.8443 -43.8441 -43.8441 -19.7773 -19.7773 -19.7202 -19.7202 -10.6376 -10.6376 -10.4749 -10.4749 -7.7022 -7.7017 -7.6748 -7.6743 -5.4172 -5.4163 -5.3658 -5.3651 -2.8731 -2.8708 -2.4802 -2.4753 -1.3858 -1.3809 -0.9261 -0.9190 -0.6560 -0.6356 -0.2426 -0.2328 -0.0476 -0.0224 0.2577 0.2640 4.6629 4.6826 5.5174 5.5193 5.9395 5.9784 6.5296 6.5347 k = 0.0000 0.0000 0.2886 ( 23333 PWs) bands (ev): -43.8443 -43.8443 -43.8441 -43.8441 -19.7773 -19.7773 -19.7202 -19.7202 -10.6383 -10.6383 -10.4754 -10.4754 -7.7007 -7.7003 -7.6726 -7.6722 -5.4162 -5.4153 -5.3674 -5.3667 -2.8691 -2.8669 -2.4846 -2.4801 -1.3806 -1.3757 -0.9381 -0.9304 -0.6529 -0.6345 -0.2409 -0.2311 -0.0591 -0.0358 0.2570 0.2627 4.7320 4.7524 5.5115 5.5155 5.9392 5.9759 6.5362 6.5392 k = 0.0000 0.0000 0.3079 ( 23339 PWs) bands (ev): -43.8443 -43.8443 -43.8441 -43.8441 -19.7773 -19.7773 -19.7202 -19.7202 -10.6389 -10.6389 -10.4759 -10.4759 -7.6993 -7.6989 -7.6706 -7.6703 -5.4151 -5.4143 -5.3690 -5.3682 -2.8653 -2.8633 -2.4886 -2.4845 -1.3754 -1.3707 -0.9491 -0.9413 -0.6499 -0.6339 -0.2392 -0.2297 -0.0692 -0.0482 0.2563 0.2614 4.8018 4.8228 5.4969 5.5035 5.9399 5.9728 6.5533 6.5536 k = 0.0000 0.0000 0.3271 ( 23339 PWs) bands (ev): -43.8443 -43.8443 -43.8441 -43.8441 -19.7773 -19.7773 -19.7202 -19.7202 -10.6395 -10.6395 -10.4763 -10.4763 -7.6980 -7.6977 -7.6689 -7.6686 -5.4141 -5.4133 -5.3704 -5.3697 -2.8618 -2.8601 -2.4921 -2.4886 -1.3704 -1.3660 -0.9590 -0.9515 -0.6471 -0.6335 -0.2374 -0.2286 -0.0777 -0.0595 0.2559 0.2602 4.8715 4.8928 5.4742 5.4836 5.9403 5.9681 6.5787 6.5822 k = 0.0000 0.0000 0.3463 ( 23343 PWs) bands (ev): -43.8443 -43.8443 -43.8441 -43.8441 -19.7773 -19.7773 -19.7202 -19.7202 -10.6399 -10.6399 -10.4767 -10.4767 -7.6970 -7.6967 -7.6674 -7.6672 -5.4132 -5.4125 -5.3716 -5.3710 -2.8588 -2.8573 -2.4951 -2.4922 -1.3658 -1.3620 -0.9673 -0.9606 -0.6446 -0.6335 -0.2356 -0.2279 -0.0845 -0.0694 0.2556 0.2591 4.9400 4.9613 5.4444 5.4564 5.9401 5.9622 6.6150 6.6225 k = 0.0000 0.0000 0.3656 ( 23344 PWs) bands (ev): -43.8443 -43.8443 -43.8441 -43.8441 -19.7773 -19.7773 -19.7202 -19.7202 -10.6403 -10.6403 -10.4770 -10.4770 -7.6961 -7.6959 -7.6662 -7.6661 -5.4124 -5.4118 -5.3726 -5.3721 -2.8563 -2.8551 -2.4975 -2.4952 -1.3618 -1.3587 -0.9739 -0.9684 -0.6422 -0.6338 -0.2338 -0.2275 -0.0894 -0.0777 0.2554 0.2582 5.0059 5.0265 5.4091 5.4230 5.9394 5.9556 6.6616 6.6732 k = 0.0000 0.0000 0.3848 ( 23352 PWs) bands (ev): -43.8443 -43.8443 -43.8441 -43.8441 -19.7773 -19.7773 -19.7202 -19.7202 -10.6406 -10.6406 -10.4772 -10.4772 -7.6954 -7.6953 -7.6654 -7.6653 -5.4117 -5.4113 -5.3734 -5.3730 -2.8543 -2.8536 -2.4991 -2.4975 -1.3586 -1.3564 -0.9784 -0.9745 -0.6401 -0.6345 -0.2321 -0.2277 -0.0924 -0.0844 0.2555 0.2573 5.0666 5.0851 5.3717 5.3858 5.9389 5.9494 6.7173 6.7328 k = 0.0000 0.0000 0.4041 ( 23341 PWs) bands (ev): -43.8443 -43.8443 -43.8441 -43.8441 -19.7773 -19.7773 -19.7202 -19.7202 -10.6407 -10.6407 -10.4774 -10.4774 -7.6950 -7.6949 -7.6649 -7.6648 -5.4112 -5.4110 -5.3738 -5.3736 -2.8531 -2.8527 -2.4999 -2.4991 -1.3564 -1.3552 -0.9808 -0.9788 -0.6383 -0.6355 -0.2305 -0.2282 -0.0934 -0.0893 0.2557 0.2566 5.1167 5.1293 5.3398 5.3503 5.9392 5.9444 6.7801 6.7988 k = 0.0000 0.0000 0.4233 ( 23332 PWs) bands (ev): -43.8443 -43.8443 -43.8441 -43.8441 -19.7773 -19.7773 -19.7202 -19.7202 -10.6408 -10.6408 -10.4774 -10.4774 -7.6949 -7.6949 -7.6647 -7.6647 -5.4110 -5.4110 -5.3739 -5.3739 -2.8525 -2.8525 -2.4999 -2.4999 -1.3552 -1.3552 -0.9809 -0.9809 -0.6367 -0.6367 -0.2292 -0.2292 -0.0923 -0.0923 0.2561 0.2561 5.1428 5.1428 5.3298 5.3298 5.9409 5.9409 6.8422 6.8422 k = 0.0000 0.0000 0.4233 ( 23332 PWs) bands (ev): -43.8443 -43.8443 -43.8441 -43.8441 -19.7773 -19.7773 -19.7202 -19.7202 -10.6408 -10.6408 -10.4774 -10.4774 -7.6949 -7.6949 -7.6647 -7.6647 -5.4110 -5.4110 -5.3739 -5.3739 -2.8525 -2.8525 -2.4999 -2.4999 -1.3552 -1.3552 -0.9809 -0.9809 -0.6367 -0.6367 -0.2292 -0.2292 -0.0923 -0.0923 0.2561 0.2561 5.1428 5.1428 5.3298 5.3298 5.9409 5.9409 6.8422 6.8422 k = 0.0000 0.0191 0.4233 ( 23338 PWs) bands (ev): -43.8443 -43.8443 -43.8441 -43.8441 -19.7772 -19.7772 -19.7202 -19.7202 -10.6405 -10.6405 -10.4773 -10.4773 -7.6949 -7.6949 -7.6647 -7.6647 -5.4112 -5.4112 -5.3740 -5.3740 -2.8527 -2.8518 -2.4998 -2.4994 -1.3571 -1.3535 -0.9837 -0.9793 -0.6382 -0.6348 -0.2356 -0.2280 -0.0964 -0.0890 0.2511 0.2564 5.1438 5.1476 5.3321 5.3342 5.9395 5.9419 6.8397 6.8469 k = 0.0000 0.0381 0.4233 ( 23352 PWs) bands (ev): -43.8443 -43.8443 -43.8441 -43.8441 -19.7772 -19.7772 -19.7202 -19.7202 -10.6396 -10.6396 -10.4769 -10.4769 -7.6949 -7.6949 -7.6649 -7.6649 -5.4118 -5.4116 -5.3745 -5.3744 -2.8523 -2.8506 -2.4990 -2.4983 -1.3594 -1.3521 -0.9877 -0.9789 -0.6393 -0.6324 -0.2469 -0.2320 -0.1011 -0.0869 0.2415 0.2521 5.1505 5.1582 5.3411 5.3453 5.9379 5.9425 6.8396 6.8535 k = 0.0000 0.0572 0.4233 ( 23348 PWs) bands (ev): -43.8443 -43.8443 -43.8441 -43.8441 -19.7771 -19.7771 -19.7201 -19.7201 -10.6381 -10.6381 -10.4764 -10.4764 -7.6950 -7.6950 -7.6652 -7.6651 -5.4127 -5.4125 -5.3753 -5.3751 -2.8514 -2.8489 -2.4975 -2.4965 -1.3619 -1.3510 -0.9931 -0.9797 -0.6400 -0.6295 -0.2627 -0.2411 -0.1062 -0.0862 0.2276 0.2432 5.1620 5.1736 5.3563 5.3628 5.9365 5.9434 6.8417 6.8608 k = 0.0000 0.0763 0.4233 ( 23342 PWs) bands (ev): -43.8443 -43.8443 -43.8441 -43.8441 -19.7771 -19.7771 -19.7201 -19.7201 -10.6361 -10.6361 -10.4756 -10.4756 -7.6951 -7.6950 -7.6656 -7.6655 -5.4140 -5.4137 -5.3763 -5.3760 -2.8500 -2.8466 -2.4954 -2.4940 -1.3649 -1.3502 -0.9998 -0.9818 -0.6403 -0.6261 -0.2825 -0.2549 -0.1118 -0.0873 0.2099 0.2302 5.1773 5.1927 5.3772 5.3860 5.9364 5.9453 6.8459 6.8666 k = 0.0000 0.0953 0.4233 ( 23329 PWs) bands (ev): -43.8443 -43.8443 -43.8441 -43.8441 -19.7769 -19.7769 -19.7200 -19.7200 -10.6335 -10.6334 -10.4746 -10.4746 -7.6952 -7.6952 -7.6661 -7.6659 -5.4155 -5.4152 -5.3776 -5.3773 -2.8481 -2.8438 -2.4927 -2.4910 -1.3684 -1.3498 -1.0080 -0.9851 -0.6403 -0.6222 -0.3060 -0.2728 -0.1181 -0.0902 0.1888 0.2134 5.1947 5.2137 5.4027 5.4139 5.9390 5.9497 6.8520 6.8711 k = 0.0000 0.1144 0.4233 ( 23326 PWs) bands (ev): -43.8443 -43.8443 -43.8441 -43.8441 -19.7768 -19.7768 -19.7199 -19.7199 -10.6303 -10.6303 -10.4734 -10.4733 -7.6953 -7.6953 -7.6667 -7.6665 -5.4174 -5.4170 -5.3791 -5.3788 -2.8456 -2.8405 -2.4894 -2.4873 -1.3724 -1.3498 -1.0177 -0.9899 -0.6400 -0.6178 -0.3325 -0.2942 -0.1253 -0.0951 0.1650 0.1933 5.2124 5.2346 5.4317 5.4452 5.9462 5.9583 6.8600 6.8759 k = 0.0000 0.1334 0.4233 ( 23344 PWs) bands (ev): -43.8443 -43.8443 -43.8441 -43.8441 -19.7767 -19.7767 -19.7198 -19.7198 -10.6266 -10.6266 -10.4720 -10.4719 -7.6955 -7.6955 -7.6674 -7.6672 -5.4196 -5.4191 -5.3809 -5.3805 -2.8427 -2.8368 -2.4855 -2.4831 -1.3772 -1.3505 -1.0290 -0.9962 -0.6394 -0.6129 -0.3616 -0.3182 -0.1337 -0.1023 0.1394 0.1705 5.2282 5.2531 5.4622 5.4777 5.9606 5.9733 6.8696 6.8820 k = 0.0000 0.1525 0.4233 ( 23360 PWs) bands (ev): -43.8443 -43.8443 -43.8441 -43.8441 -19.7765 -19.7765 -19.7196 -19.7196 -10.6224 -10.6223 -10.4704 -10.4704 -7.6957 -7.6957 -7.6682 -7.6680 -5.4221 -5.4215 -5.3830 -5.3825 -2.8394 -2.8326 -2.4810 -2.4783 -1.3828 -1.3518 -1.0422 -1.0040 -0.6388 -0.6074 -0.3926 -0.3442 -0.1433 -0.1117 0.1127 0.1455 5.2404 5.2671 5.4924 5.5092 5.9847 5.9971 6.8807 6.8897 k = 0.0000 0.1716 0.4233 ( 23361 PWs) bands (ev): -43.8443 -43.8443 -43.8441 -43.8441 -19.7763 -19.7763 -19.7195 -19.7195 -10.6176 -10.6176 -10.4687 -10.4687 -7.6960 -7.6959 -7.6691 -7.6688 -5.4248 -5.4242 -5.3852 -5.3847 -2.8356 -2.8280 -2.4760 -2.4729 -1.3894 -1.3541 -1.0571 -1.0135 -0.6381 -0.6015 -0.4248 -0.3716 -0.1543 -0.1236 0.0860 0.1192 5.2474 5.2749 5.5201 5.5374 6.0205 6.0316 6.8932 6.8993 k = 0.0000 0.1906 0.4233 ( 23365 PWs) bands (ev): -43.8443 -43.8443 -43.8441 -43.8441 -19.7761 -19.7761 -19.7193 -19.7193 -10.6125 -10.6124 -10.4668 -10.4668 -7.6962 -7.6962 -7.6700 -7.6697 -5.4278 -5.4271 -5.3877 -5.3871 -2.8314 -2.8231 -2.4705 -2.4671 -1.3972 -1.3574 -1.0738 -1.0249 -0.6376 -0.5953 -0.4573 -0.3995 -0.1667 -0.1380 0.0600 0.0921 5.2481 5.2755 5.5441 5.5608 6.0687 6.0776 6.9067 6.9110 k = 0.0000 0.2097 0.4233 ( 23349 PWs) bands (ev): -43.8443 -43.8443 -43.8441 -43.8441 -19.7758 -19.7758 -19.7191 -19.7191 -10.6068 -10.6068 -10.4649 -10.4649 -7.6965 -7.6965 -7.6710 -7.6707 -5.4310 -5.4302 -5.3903 -5.3897 -2.8269 -2.8178 -2.4646 -2.4608 -1.4063 -1.3619 -1.0924 -1.0381 -0.6375 -0.5892 -0.4892 -0.4275 -0.1808 -0.1548 0.0355 0.0649 5.2422 5.2686 5.5635 5.5787 6.1287 6.1346 6.9206 6.9251 k = 0.0000 0.2288 0.4233 ( 23347 PWs) bands (ev): -43.8443 -43.8443 -43.8441 -43.8441 -19.7756 -19.7756 -19.7189 -19.7189 -10.6008 -10.6007 -10.4628 -10.4628 -7.6969 -7.6968 -7.6721 -7.6718 -5.4343 -5.4335 -5.3930 -5.3924 -2.8221 -2.8122 -2.4583 -2.4540 -1.4168 -1.3679 -1.1129 -1.0533 -0.6385 -0.5843 -0.5183 -0.4547 -0.1964 -0.1735 0.0130 0.0382 5.2300 5.2549 5.5783 5.5915 6.1984 6.2009 6.9346 6.9413 k = 0.0000 0.2478 0.4233 ( 23354 PWs) bands (ev): -43.8443 -43.8443 -43.8441 -43.8441 -19.7753 -19.7753 -19.7187 -19.7187 -10.5943 -10.5943 -10.4607 -10.4607 -7.6973 -7.6972 -7.6733 -7.6730 -5.4378 -5.4370 -5.3959 -5.3952 -2.8169 -2.8063 -2.4515 -2.4469 -1.4289 -1.3757 -1.1350 -1.0705 -0.6414 -0.5846 -0.5396 -0.4805 -0.2138 -0.1936 -0.0075 0.0127 5.2121 5.2352 5.5887 5.5996 6.2741 6.2753 6.9486 6.9585 k = 0.0000 0.2669 0.4233 ( 23354 PWs) bands (ev): -43.8443 -43.8443 -43.8441 -43.8441 -19.7751 -19.7751 -19.7185 -19.7185 -10.5875 -10.5875 -10.4586 -10.4586 -7.6977 -7.6977 -7.6745 -7.6741 -5.4415 -5.4406 -5.3989 -5.3982 -2.8115 -2.8002 -2.4445 -2.4395 -1.4426 -1.3852 -1.1586 -1.0897 -0.6479 -0.5963 -0.5454 -0.5037 -0.2328 -0.2143 -0.0263 -0.0110 5.1896 5.2108 5.5949 5.6037 6.3518 6.3565 6.9621 6.9760 k = 0.0000 0.2860 0.4233 ( 23358 PWs) bands (ev): -43.8443 -43.8443 -43.8441 -43.8441 -19.7748 -19.7748 -19.7183 -19.7183 -10.5805 -10.5804 -10.4565 -10.4564 -7.6982 -7.6981 -7.6757 -7.6753 -5.4452 -5.4444 -5.4020 -5.4012 -2.8059 -2.7940 -2.4371 -2.4318 -1.4579 -1.3969 -1.1836 -1.1109 -0.6597 -0.6127 -0.5414 -0.5229 -0.2532 -0.2348 -0.0442 -0.0320 5.1635 5.1829 5.5975 5.6041 6.4313 6.4394 6.9741 6.9927 k = 0.0000 0.3050 0.4233 ( 23371 PWs) bands (ev): -43.8443 -43.8443 -43.8441 -43.8441 -19.7745 -19.7745 -19.7181 -19.7181 -10.5731 -10.5730 -10.4544 -10.4543 -7.6988 -7.6987 -7.6769 -7.6766 -5.4491 -5.4482 -5.4051 -5.4043 -2.8002 -2.7876 -2.4296 -2.4238 -1.4748 -1.4106 -1.2097 -1.1341 -0.6769 -0.6272 -0.5435 -0.5285 -0.2744 -0.2545 -0.0621 -0.0498 5.1349 5.1526 5.5965 5.6016 6.5104 6.5218 6.9837 7.0074 k = 0.0000 0.3241 0.4233 ( 23367 PWs) bands (ev): -43.8443 -43.8443 -43.8441 -43.8441 -19.7742 -19.7742 -19.7179 -19.7179 -10.5655 -10.5654 -10.4523 -10.4523 -7.6994 -7.6993 -7.6781 -7.6778 -5.4529 -5.4521 -5.4082 -5.4074 -2.7943 -2.7812 -2.4218 -2.4157 -1.4932 -1.4266 -1.2366 -1.1590 -0.6963 -0.6405 -0.5543 -0.5198 -0.2961 -0.2728 -0.0798 -0.0648 5.1048 5.1209 5.5925 5.5965 6.5873 6.6017 6.9896 7.0190 k = 0.0000 0.3432 0.4233 ( 23352 PWs) bands (ev): -43.8443 -43.8443 -43.8441 -43.8441 -19.7740 -19.7740 -19.7177 -19.7177 -10.5577 -10.5576 -10.4503 -10.4503 -7.7000 -7.7000 -7.6794 -7.6791 -5.4568 -5.4560 -5.4113 -5.4106 -2.7884 -2.7748 -2.4140 -2.4075 -1.5127 -1.4445 -1.2641 -1.1856 -0.7152 -0.6538 -0.5630 -0.5092 -0.3181 -0.2891 -0.0966 -0.0780 5.0741 5.0887 5.5856 5.5894 6.6603 6.6774 6.9909 7.0261 k = 0.0000 0.3622 0.4233 ( 23350 PWs) bands (ev): -43.8443 -43.8443 -43.8441 -43.8441 -19.7737 -19.7737 -19.7174 -19.7174 -10.5498 -10.5497 -10.4485 -10.4485 -7.7008 -7.7007 -7.6806 -7.6803 -5.4607 -5.4598 -5.4144 -5.4137 -2.7824 -2.7685 -2.4060 -2.3992 -1.5333 -1.4643 -1.2919 -1.2136 -0.7324 -0.6670 -0.5699 -0.4981 -0.3400 -0.3025 -0.1122 -0.0902 5.0434 5.0568 5.5764 5.5805 6.7283 6.7477 6.9871 7.0279 k = 0.0000 0.3813 0.4233 ( 23354 PWs) bands (ev): -43.8443 -43.8443 -43.8441 -43.8441 -19.7734 -19.7734 -19.7172 -19.7172 -10.5418 -10.5417 -10.4468 -10.4468 -7.7016 -7.7015 -7.6818 -7.6815 -5.4646 -5.4637 -5.4175 -5.4167 -2.7765 -2.7623 -2.3981 -2.3910 -1.5545 -1.4856 -1.3199 -1.2427 -0.7470 -0.6794 -0.5760 -0.4871 -0.3613 -0.3127 -0.1266 -0.1015 5.0135 5.0258 5.5654 5.5703 6.7900 6.8115 6.9781 7.0245 k = 0.0000 0.4003 0.4233 ( 23337 PWs) bands (ev): -43.8443 -43.8443 -43.8441 -43.8441 -19.7731 -19.7731 -19.7170 -19.7170 -10.5337 -10.5336 -10.4452 -10.4452 -7.7025 -7.7024 -7.6830 -7.6827 -5.4683 -5.4675 -5.4204 -5.4197 -2.7706 -2.7563 -2.3902 -2.3828 -1.5760 -1.5079 -1.3478 -1.2728 -0.7590 -0.6904 -0.5823 -0.4776 -0.3809 -0.3194 -0.1400 -0.1124 4.9850 4.9962 5.5532 5.5587 6.8422 6.8665 6.9647 7.0168 k = 0.0000 0.4194 0.4233 ( 23352 PWs) bands (ev): -43.8442 -43.8442 -43.8441 -43.8441 -19.7729 -19.7729 -19.7168 -19.7168 -10.5256 -10.5255 -10.4439 -10.4439 -7.7034 -7.7033 -7.6841 -7.6838 -5.4720 -5.4712 -5.4233 -5.4225 -2.7649 -2.7505 -2.3824 -2.3748 -1.5974 -1.5307 -1.3754 -1.3034 -0.7683 -0.6999 -0.5893 -0.4721 -0.3959 -0.3226 -0.1525 -0.1228 4.9582 4.9685 5.5401 5.5463 6.8741 6.9052 6.9510 6.9999 k = 0.0000 0.4385 0.4233 ( 23349 PWs) bands (ev): -43.8442 -43.8442 -43.8441 -43.8441 -19.7726 -19.7726 -19.7166 -19.7166 -10.5175 -10.5174 -10.4428 -10.4428 -7.7044 -7.7043 -7.6851 -7.6849 -5.4756 -5.4748 -5.4260 -5.4252 -2.7594 -2.7451 -2.3748 -2.3669 -1.6183 -1.5537 -1.4024 -1.3342 -0.7749 -0.7076 -0.5971 -0.4751 -0.4019 -0.3226 -0.1644 -0.1330 4.9337 4.9433 5.5265 5.5333 6.8657 6.9066 6.9411 6.9673 k = 0.0000 0.4575 0.4233 ( 23349 PWs) bands (ev): -43.8442 -43.8442 -43.8441 -43.8441 -19.7723 -19.7723 -19.7164 -19.7164 -10.5096 -10.5095 -10.4420 -10.4420 -7.7055 -7.7054 -7.6861 -7.6859 -5.4790 -5.4783 -5.4285 -5.4278 -2.7540 -2.7400 -2.3675 -2.3594 -1.6384 -1.5762 -1.4286 -1.3649 -0.7790 -0.7134 -0.6059 -0.4877 -0.3975 -0.3197 -0.1758 -0.1431 4.9119 4.9207 5.5127 5.5199 6.8282 6.8696 6.9229 6.9417 k = 0.0000 0.4766 0.4233 ( 23351 PWs) bands (ev): -43.8442 -43.8442 -43.8441 -43.8441 -19.7721 -19.7721 -19.7162 -19.7162 -10.5017 -10.5016 -10.4414 -10.4414 -7.7066 -7.7065 -7.6871 -7.6869 -5.4823 -5.4816 -5.4309 -5.4302 -2.7490 -2.7354 -2.3603 -2.3522 -1.6573 -1.5979 -1.4538 -1.3951 -0.7808 -0.7175 -0.6155 -0.5059 -0.3869 -0.3143 -0.1869 -0.1530 4.8930 4.9011 5.4990 5.5066 6.7800 6.8194 6.9003 6.9181 k = 0.0000 0.4957 0.4233 ( 23355 PWs) bands (ev): -43.8442 -43.8442 -43.8441 -43.8441 -19.7719 -19.7719 -19.7160 -19.7160 -10.4941 -10.4940 -10.4411 -10.4411 -7.7078 -7.7076 -7.6879 -7.6878 -5.4853 -5.4847 -5.4330 -5.4324 -2.7442 -2.7312 -2.3536 -2.3455 -1.6746 -1.6183 -1.4778 -1.4245 -0.7805 -0.7198 -0.6257 -0.5264 -0.3732 -0.3068 -0.1977 -0.1629 4.8774 4.8849 5.4857 5.4936 6.7278 6.7655 6.8771 6.8937 k = 0.0000 0.5147 0.4233 ( 23354 PWs) bands (ev): -43.8442 -43.8442 -43.8441 -43.8441 -19.7717 -19.7717 -19.7159 -19.7159 -10.4866 -10.4865 -10.4412 -10.4412 -7.7090 -7.7088 -7.6888 -7.6886 -5.4882 -5.4877 -5.4350 -5.4343 -2.7398 -2.7276 -2.3472 -2.3392 -1.6901 -1.6371 -1.5003 -1.4529 -0.7782 -0.7205 -0.6363 -0.5475 -0.3580 -0.2977 -0.2085 -0.1729 4.8652 4.8722 5.4731 5.4810 6.6739 6.7104 6.8543 6.8692 k = 0.0000 0.5338 0.4233 ( 23364 PWs) bands (ev): -43.8442 -43.8442 -43.8441 -43.8441 -19.7715 -19.7715 -19.7157 -19.7157 -10.4795 -10.4794 -10.4415 -10.4415 -7.7102 -7.7100 -7.6895 -7.6894 -5.4909 -5.4904 -5.4366 -5.4360 -2.7357 -2.7245 -2.3412 -2.3334 -1.7034 -1.6539 -1.5210 -1.4800 -0.7742 -0.7197 -0.6472 -0.5687 -0.3419 -0.2875 -0.2191 -0.1828 4.8566 4.8632 5.4613 5.4693 6.6193 6.6547 6.8323 6.8452 k = 0.0000 0.5529 0.4233 ( 23367 PWs) bands (ev): -43.8442 -43.8442 -43.8441 -43.8441 -19.7713 -19.7713 -19.7156 -19.7156 -10.4727 -10.4726 -10.4422 -10.4422 -7.7114 -7.7113 -7.6903 -7.6902 -5.4933 -5.4929 -5.4381 -5.4375 -2.7321 -2.7221 -2.3357 -2.3283 -1.7144 -1.6685 -1.5399 -1.5054 -0.7687 -0.7174 -0.6581 -0.5895 -0.3254 -0.2770 -0.2293 -0.1926 4.8518 4.8580 5.4505 5.4584 6.5646 6.5988 6.8114 6.8220 k = 0.0000 0.5719 0.4233 ( 23353 PWs) bands (ev): -43.8442 -43.8442 -43.8441 -43.8441 -19.7712 -19.7712 -19.7155 -19.7155 -10.4663 -10.4662 -10.4431 -10.4431 -7.7126 -7.7124 -7.6909 -7.6909 -5.4955 -5.4951 -5.4392 -5.4387 -2.7289 -2.7202 -2.3307 -2.3237 -1.7228 -1.6807 -1.5566 -1.5291 -0.7617 -0.7137 -0.6690 -0.6096 -0.3088 -0.2678 -0.2379 -0.2019 4.8510 4.8568 5.4409 5.4486 6.5101 6.5429 6.7917 6.8001 k = 0.0000 0.5910 0.4233 ( 23359 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7711 -19.7711 -19.7154 -19.7154 -10.4606 -10.4605 -10.4442 -10.4442 -7.7137 -7.7136 -7.6916 -7.6915 -5.4974 -5.4970 -5.4401 -5.4396 -2.7262 -2.7191 -2.3262 -2.3199 -1.7285 -1.6903 -1.5712 -1.5507 -0.7536 -0.7089 -0.6796 -0.6288 -0.2931 -0.2646 -0.2412 -0.2095 4.8540 4.8597 5.4325 5.4400 6.4562 6.4874 6.7736 6.7797 k = 0.0000 0.6100 0.4233 ( 23374 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7710 -19.7710 -19.7153 -19.7153 -10.4560 -10.4559 -10.4449 -10.4449 -7.7148 -7.7148 -7.6922 -7.6921 -5.4990 -5.4987 -5.4407 -5.4402 -2.7240 -2.7185 -2.3223 -2.3167 -1.7314 -1.6971 -1.5836 -1.5701 -0.7446 -0.7037 -0.6891 -0.6469 -0.2832 -0.2655 -0.2403 -0.2115 4.8611 4.8666 5.4253 5.4325 6.4032 6.4325 6.7569 6.7609 k = 0.0000 0.6100 0.4233 ( 23374 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7710 -19.7710 -19.7153 -19.7153 -10.4560 -10.4559 -10.4449 -10.4449 -7.7148 -7.7148 -7.6922 -7.6921 -5.4990 -5.4987 -5.4407 -5.4402 -2.7240 -2.7185 -2.3223 -2.3167 -1.7314 -1.6971 -1.5836 -1.5701 -0.7446 -0.7037 -0.6891 -0.6469 -0.2832 -0.2655 -0.2403 -0.2115 4.8611 4.8666 5.4253 5.4325 6.4032 6.4325 6.7569 6.7609 k = 0.0000 0.6156 0.4059 ( 23353 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7710 -19.7710 -19.7153 -19.7153 -10.4565 -10.4565 -10.4435 -10.4435 -7.7135 -7.7135 -7.6924 -7.6924 -5.5023 -5.5020 -5.4412 -5.4408 -2.7233 -2.7184 -2.3213 -2.3161 -1.7296 -1.6965 -1.5862 -1.5752 -0.7422 -0.6991 -0.6932 -0.6496 -0.2840 -0.2668 -0.2341 -0.2091 4.8349 4.8401 5.3960 5.4030 6.4390 6.4706 6.7562 6.7577 k = 0.0000 0.6211 0.3885 ( 23350 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7709 -19.7709 -19.7153 -19.7153 -10.4573 -10.4573 -10.4420 -10.4420 -7.7123 -7.7122 -7.6927 -7.6927 -5.5055 -5.5052 -5.4418 -5.4414 -2.7227 -2.7184 -2.3203 -2.3155 -1.7271 -1.6952 -1.5890 -1.5805 -0.7403 -0.6977 -0.6941 -0.6517 -0.2870 -0.2700 -0.2258 -0.2044 4.8110 4.8159 5.3668 5.3735 6.4738 6.5077 6.7535 6.7550 k = 0.0000 0.6266 0.3711 ( 23349 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7709 -19.7709 -19.7153 -19.7153 -10.4582 -10.4581 -10.4404 -10.4404 -7.7110 -7.7109 -7.6931 -7.6931 -5.5085 -5.5083 -5.4423 -5.4420 -2.7222 -2.7184 -2.3193 -2.3149 -1.7240 -1.6935 -1.5921 -1.5859 -0.7388 -0.7016 -0.6896 -0.6532 -0.2909 -0.2744 -0.2168 -0.1983 4.7893 4.7940 5.3384 5.3445 6.5074 6.5433 6.7490 6.7536 k = 0.0000 0.6321 0.3537 ( 23348 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7709 -19.7709 -19.7153 -19.7153 -10.4590 -10.4590 -10.4389 -10.4389 -7.7097 -7.7096 -7.6936 -7.6936 -5.5113 -5.5111 -5.4429 -5.4426 -2.7218 -2.7185 -2.3183 -2.3144 -1.7202 -1.6914 -1.5954 -1.5913 -0.7376 -0.7055 -0.6851 -0.6542 -0.2949 -0.2794 -0.2076 -0.1917 4.7701 4.7743 5.3111 5.3168 6.5391 6.5770 6.7445 6.7524 k = 0.0000 0.6376 0.3364 ( 23351 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7709 -19.7709 -19.7153 -19.7153 -10.4598 -10.4598 -10.4375 -10.4374 -7.7084 -7.7083 -7.6941 -7.6941 -5.5139 -5.5137 -5.4434 -5.4431 -2.7215 -2.7186 -2.3174 -2.3140 -1.7160 -1.6890 -1.5991 -1.5967 -0.7366 -0.7092 -0.6807 -0.6550 -0.2986 -0.2845 -0.1988 -0.1852 4.7532 4.7570 5.2858 5.2908 6.5686 6.6081 6.7405 6.7518 k = 0.0000 0.6432 0.3190 ( 23348 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7709 -19.7709 -19.7153 -19.7153 -10.4605 -10.4605 -10.4362 -10.4362 -7.7072 -7.7071 -7.6947 -7.6947 -5.5162 -5.5160 -5.4438 -5.4436 -2.7212 -2.7188 -2.3165 -2.3136 -1.7113 -1.6864 -1.6034 -1.6014 -0.7358 -0.7128 -0.6767 -0.6555 -0.3019 -0.2894 -0.1907 -0.1792 4.7387 4.7421 5.2627 5.2671 6.5951 6.6354 6.7378 6.7524 k = 0.0000 0.6487 0.3016 ( 23344 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7708 -19.7708 -19.7152 -19.7152 -10.4612 -10.4612 -10.4351 -10.4351 -7.7060 -7.7059 -7.6954 -7.6953 -5.5182 -5.5181 -5.4443 -5.4441 -2.7210 -2.7190 -2.3157 -2.3133 -1.7064 -1.6840 -1.6081 -1.6055 -0.7350 -0.7162 -0.6729 -0.6559 -0.3047 -0.2939 -0.1833 -0.1739 4.7266 4.7294 5.2424 5.2461 6.6179 6.6571 6.7378 6.7543 k = 0.0000 0.6542 0.2842 ( 23352 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7708 -19.7708 -19.7152 -19.7152 -10.4617 -10.4617 -10.4342 -10.4342 -7.7048 -7.7048 -7.6961 -7.6961 -5.5199 -5.5198 -5.4446 -5.4445 -2.7208 -2.7192 -2.3150 -2.3131 -1.7013 -1.6820 -1.6125 -1.6093 -0.7341 -0.7193 -0.6695 -0.6563 -0.3068 -0.2980 -0.1770 -0.1695 4.7168 4.7191 5.2253 5.2283 6.6364 6.6715 6.7417 6.7577 k = 0.0000 0.6597 0.2668 ( 23358 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7708 -19.7708 -19.7152 -19.7152 -10.4621 -10.4621 -10.4335 -10.4335 -7.7038 -7.7037 -7.6969 -7.6968 -5.5212 -5.5211 -5.4449 -5.4448 -2.7206 -2.7194 -2.3144 -2.3130 -1.6962 -1.6806 -1.6162 -1.6128 -0.7331 -0.7221 -0.6665 -0.6568 -0.3082 -0.3015 -0.1717 -0.1661 4.7093 4.7110 5.2118 5.2140 6.6507 6.6783 6.7493 6.7621 k = 0.0000 0.6652 0.2494 ( 23336 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7708 -19.7708 -19.7152 -19.7152 -10.4624 -10.4624 -10.4329 -10.4329 -7.7028 -7.7027 -7.6976 -7.6975 -5.5222 -5.5221 -5.4451 -5.4450 -2.7204 -2.7196 -2.3139 -2.3129 -1.6913 -1.6803 -1.6188 -1.6158 -0.7320 -0.7247 -0.6639 -0.6576 -0.3089 -0.3043 -0.1676 -0.1639 4.7040 4.7052 5.2020 5.2035 6.6611 6.6796 6.7579 6.7662 k = 0.0000 0.6708 0.2320 ( 23328 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7708 -19.7708 -19.7152 -19.7152 -10.4626 -10.4626 -10.4326 -10.4326 -7.7020 -7.7020 -7.6982 -7.6981 -5.5227 -5.5227 -5.4452 -5.4452 -2.7203 -2.7199 -2.3135 -2.3130 -1.6870 -1.6813 -1.6200 -1.6183 -0.7305 -0.7269 -0.6617 -0.6586 -0.3088 -0.3065 -0.1648 -0.1629 4.7010 4.7016 5.1962 5.1969 6.6687 6.6778 6.7647 6.7687 k = 0.0000 0.6763 0.2146 ( 23324 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7708 -19.7708 -19.7152 -19.7152 -10.4627 -10.4627 -10.4325 -10.4325 -7.7016 -7.7016 -7.6984 -7.6984 -5.5229 -5.5229 -5.4452 -5.4452 -2.7201 -2.7201 -2.3132 -2.3132 -1.6836 -1.6836 -1.6197 -1.6197 -0.7289 -0.7289 -0.6600 -0.6600 -0.3080 -0.3080 -0.1632 -0.1632 4.7002 4.7002 5.1945 5.1945 6.6741 6.6741 6.7684 6.7684 k = 0.0000 0.6763 0.2146 ( 23324 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7708 -19.7708 -19.7152 -19.7152 -10.4627 -10.4627 -10.4325 -10.4325 -7.7016 -7.7016 -7.6984 -7.6984 -5.5229 -5.5229 -5.4452 -5.4452 -2.7201 -2.7201 -2.3132 -2.3132 -1.6836 -1.6836 -1.6197 -1.6197 -0.7289 -0.7289 -0.6600 -0.6600 -0.3080 -0.3080 -0.1632 -0.1632 4.7002 4.7002 5.1945 5.1945 6.6741 6.6741 6.7684 6.7684 k = 0.0192 0.6763 0.2146 ( 23334 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7708 -19.7708 -19.7153 -19.7153 -10.4626 -10.4626 -10.4325 -10.4325 -7.7017 -7.7017 -7.6985 -7.6985 -5.5230 -5.5228 -5.4454 -5.4453 -2.7206 -2.7198 -2.3153 -2.3143 -1.6831 -1.6816 -1.6211 -1.6176 -0.7306 -0.7281 -0.6611 -0.6576 -0.3089 -0.3073 -0.1655 -0.1611 4.7028 4.7028 5.1963 5.1965 6.6723 6.6724 6.7657 6.7662 k = 0.0385 0.6763 0.2146 ( 23336 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7706 -19.7706 -19.7154 -19.7154 -10.4625 -10.4624 -10.4325 -10.4325 -7.7018 -7.7018 -7.6986 -7.6986 -5.5229 -5.5226 -5.4458 -5.4456 -2.7213 -2.7197 -2.3205 -2.3185 -1.6803 -1.6773 -1.6216 -1.6147 -0.7330 -0.7284 -0.6610 -0.6542 -0.3098 -0.3065 -0.1681 -0.1594 4.7105 4.7105 5.2019 5.2023 6.6671 6.6673 6.7582 6.7591 k = 0.0577 0.6763 0.2146 ( 23344 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7704 -19.7704 -19.7157 -19.7157 -10.4622 -10.4622 -10.4325 -10.4325 -7.7020 -7.7019 -7.6988 -7.6988 -5.5228 -5.5223 -5.4463 -5.4461 -2.7223 -2.7198 -2.3285 -2.3257 -1.6754 -1.6710 -1.6213 -1.6110 -0.7358 -0.7296 -0.6596 -0.6500 -0.3108 -0.3057 -0.1710 -0.1579 4.7233 4.7234 5.2112 5.2117 6.6587 6.6590 6.7464 6.7477 k = 0.0769 0.6763 0.2146 ( 23344 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7700 -19.7700 -19.7160 -19.7160 -10.4618 -10.4618 -10.4325 -10.4325 -7.7022 -7.7022 -7.6991 -7.6990 -5.5226 -5.5220 -5.4471 -5.4468 -2.7234 -2.7202 -2.3392 -2.3355 -1.6687 -1.6632 -1.6200 -1.6063 -0.7387 -0.7317 -0.6573 -0.6452 -0.3119 -0.3049 -0.1740 -0.1566 4.7411 4.7412 5.2240 5.2247 6.6476 6.6479 6.7312 6.7328 k = 0.0962 0.6763 0.2146 ( 23346 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7696 -19.7696 -19.7165 -19.7165 -10.4613 -10.4613 -10.4325 -10.4325 -7.7025 -7.7024 -7.6994 -7.6994 -5.5223 -5.5215 -5.4481 -5.4477 -2.7247 -2.7207 -2.3521 -2.3477 -1.6610 -1.6542 -1.6175 -1.6006 -0.7416 -0.7343 -0.6542 -0.6400 -0.3131 -0.3038 -0.1773 -0.1557 4.7636 4.7637 5.2400 5.2410 6.6341 6.6344 6.7134 6.7154 k = 0.1154 0.6763 0.2146 ( 23356 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7690 -19.7690 -19.7170 -19.7170 -10.4607 -10.4607 -10.4325 -10.4325 -7.7029 -7.7028 -7.6998 -7.6998 -5.5220 -5.5210 -5.4493 -5.4488 -2.7261 -2.7214 -2.3670 -2.3619 -1.6529 -1.6449 -1.6134 -1.5937 -0.7440 -0.7371 -0.6508 -0.6347 -0.3145 -0.3026 -0.1807 -0.1550 4.7906 4.7908 5.2590 5.2602 6.6188 6.6189 6.6941 6.6963 k = 0.1346 0.6763 0.2146 ( 23362 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7684 -19.7684 -19.7177 -19.7177 -10.4601 -10.4601 -10.4325 -10.4325 -7.7033 -7.7032 -7.7003 -7.7002 -5.5215 -5.5204 -5.4507 -5.4500 -2.7276 -2.7222 -2.3833 -2.3777 -1.6451 -1.6356 -1.6076 -1.5857 -0.7460 -0.7398 -0.6473 -0.6292 -0.3160 -0.3011 -0.1842 -0.1545 4.8219 4.8222 5.2805 5.2821 6.6020 6.6022 6.6742 6.6766 k = 0.1538 0.6763 0.2146 ( 23354 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7676 -19.7676 -19.7184 -19.7184 -10.4593 -10.4593 -10.4326 -10.4325 -7.7037 -7.7036 -7.7008 -7.7007 -5.5210 -5.5197 -5.4522 -5.4515 -2.7290 -2.7230 -2.4007 -2.3947 -1.6383 -1.6267 -1.5999 -1.5765 -0.7474 -0.7424 -0.6438 -0.6239 -0.3175 -0.2993 -0.1878 -0.1543 4.8570 4.8574 5.3041 5.3061 6.5840 6.5845 6.6545 6.6571 k = 0.1731 0.6763 0.2146 ( 23352 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7668 -19.7668 -19.7192 -19.7192 -10.4585 -10.4585 -10.4326 -10.4326 -7.7042 -7.7041 -7.7013 -7.7013 -5.5204 -5.5190 -5.4539 -5.4531 -2.7304 -2.7239 -2.4191 -2.4126 -1.6324 -1.6185 -1.5907 -1.5664 -0.7480 -0.7445 -0.6406 -0.6186 -0.3191 -0.2971 -0.1915 -0.1542 4.8956 4.8962 5.3293 5.3317 6.5655 6.5664 6.6357 6.6387 k = 0.1923 0.6763 0.2146 ( 23360 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7659 -19.7659 -19.7201 -19.7201 -10.4576 -10.4575 -10.4327 -10.4326 -7.7047 -7.7046 -7.7019 -7.7019 -5.5196 -5.5181 -5.4558 -5.4549 -2.7317 -2.7246 -2.4379 -2.4311 -1.6271 -1.6108 -1.5807 -1.5559 -0.7477 -0.7461 -0.6378 -0.6136 -0.3206 -0.2945 -0.1952 -0.1544 4.9372 4.9381 5.3554 5.3583 6.5468 6.5481 6.6185 6.6220 k = 0.2115 0.6763 0.2146 ( 23364 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7649 -19.7649 -19.7211 -19.7211 -10.4566 -10.4566 -10.4327 -10.4327 -7.7052 -7.7051 -7.7026 -7.7025 -5.5188 -5.5172 -5.4578 -5.4568 -2.7328 -2.7253 -2.4571 -2.4500 -1.6222 -1.6036 -1.5706 -1.5454 -0.7471 -0.7464 -0.6355 -0.6090 -0.3220 -0.2913 -0.1990 -0.1548 4.9813 4.9825 5.3818 5.3853 6.5283 6.5301 6.6036 6.6076 k = 0.2308 0.6763 0.2146 ( 23356 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7638 -19.7638 -19.7222 -19.7222 -10.4555 -10.4555 -10.4329 -10.4329 -7.7058 -7.7056 -7.7032 -7.7032 -5.5179 -5.5162 -5.4599 -5.4588 -2.7337 -2.7257 -2.4764 -2.4690 -1.6172 -1.5967 -1.5608 -1.5354 -0.7473 -0.7442 -0.6338 -0.6049 -0.3231 -0.2877 -0.2028 -0.1554 5.0274 5.0290 5.4078 5.4119 6.5105 6.5127 6.5913 6.5960 k = 0.2500 0.6763 0.2146 ( 23350 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7627 -19.7627 -19.7234 -19.7234 -10.4545 -10.4544 -10.4330 -10.4330 -7.7063 -7.7062 -7.7039 -7.7038 -5.5169 -5.5151 -5.4622 -5.4610 -2.7343 -2.7259 -2.4955 -2.4879 -1.6123 -1.5900 -1.5518 -1.5261 -0.7468 -0.7410 -0.6328 -0.6014 -0.3238 -0.2836 -0.2067 -0.1562 5.0747 5.0767 5.4328 5.4376 6.4937 6.4962 6.5819 6.5875 k = 0.2692 0.6763 0.2146 ( 23356 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7614 -19.7614 -19.7246 -19.7246 -10.4533 -10.4533 -10.4332 -10.4332 -7.7068 -7.7067 -7.7046 -7.7045 -5.5158 -5.5139 -5.4645 -5.4632 -2.7345 -2.7258 -2.5144 -2.5066 -1.6071 -1.5833 -1.5437 -1.5178 -0.7454 -0.7369 -0.6326 -0.5987 -0.3240 -0.2789 -0.2107 -0.1572 5.1227 5.1252 5.4561 5.4617 6.4784 6.4811 6.5757 6.5821 k = 0.2885 0.6763 0.2146 ( 23346 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7602 -19.7602 -19.7259 -19.7259 -10.4522 -10.4522 -10.4335 -10.4334 -7.7074 -7.7072 -7.7052 -7.7052 -5.5146 -5.5126 -5.4669 -5.4655 -2.7342 -2.7253 -2.5329 -2.5248 -1.6018 -1.5768 -1.5369 -1.5108 -0.7433 -0.7317 -0.6331 -0.5967 -0.3237 -0.2737 -0.2148 -0.1585 5.1705 5.1737 5.4772 5.4835 6.4651 6.4678 6.5724 6.5796 k = 0.3077 0.6763 0.2146 ( 23328 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7588 -19.7588 -19.7272 -19.7272 -10.4510 -10.4510 -10.4337 -10.4337 -7.7079 -7.7077 -7.7059 -7.7058 -5.5133 -5.5112 -5.4694 -5.4679 -2.7335 -2.7243 -2.5508 -2.5426 -1.5963 -1.5703 -1.5313 -1.5050 -0.7403 -0.7257 -0.6344 -0.5958 -0.3226 -0.2679 -0.2191 -0.1601 5.2175 5.2214 5.4956 5.5028 6.4541 6.4566 6.5716 6.5796 k = 0.3269 0.6763 0.2146 ( 23324 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7574 -19.7574 -19.7286 -19.7286 -10.4498 -10.4498 -10.4341 -10.4341 -7.7083 -7.7082 -7.7065 -7.7065 -5.5118 -5.5097 -5.4719 -5.4704 -2.7322 -2.7228 -2.5682 -2.5598 -1.5907 -1.5638 -1.5270 -1.5005 -0.7366 -0.7189 -0.6365 -0.5959 -0.3208 -0.2618 -0.2235 -0.1620 5.2628 5.2676 5.5111 5.5190 6.4461 6.4481 6.5724 6.5811 k = 0.3462 0.6763 0.2146 ( 23324 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7559 -19.7559 -19.7301 -19.7301 -10.4486 -10.4486 -10.4345 -10.4345 -7.7088 -7.7086 -7.7071 -7.7071 -5.5103 -5.5082 -5.4745 -5.4728 -2.7302 -2.7207 -2.5848 -2.5763 -1.5848 -1.5574 -1.5241 -1.4974 -0.7322 -0.7115 -0.6393 -0.5970 -0.3182 -0.2552 -0.2282 -0.1643 5.3059 5.3115 5.5235 5.5322 6.4413 6.4426 6.5740 6.5831 k = 0.3654 0.6763 0.2146 ( 23330 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7544 -19.7544 -19.7316 -19.7316 -10.4474 -10.4474 -10.4349 -10.4349 -7.7092 -7.7090 -7.7077 -7.7076 -5.5087 -5.5065 -5.4770 -5.4753 -2.7276 -2.7180 -2.6007 -2.5920 -1.5789 -1.5510 -1.5224 -1.4956 -0.7272 -0.7034 -0.6429 -0.5993 -0.3147 -0.2483 -0.2331 -0.1670 5.3460 5.3525 5.5329 5.5423 6.4401 6.4406 6.5751 6.5846 k = 0.3846 0.6763 0.2146 ( 23326 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7529 -19.7529 -19.7332 -19.7332 -10.4462 -10.4462 -10.4354 -10.4354 -7.7095 -7.7094 -7.7082 -7.7082 -5.5070 -5.5047 -5.4796 -5.4778 -2.7243 -2.7146 -2.6157 -2.6068 -1.5729 -1.5446 -1.5220 -1.4949 -0.7216 -0.6949 -0.6471 -0.6027 -0.3105 -0.2412 -0.2382 -0.1701 5.3826 5.3901 5.5393 5.5492 6.4422 6.4427 6.5746 6.5842 k = 0.4038 0.6763 0.2146 ( 23324 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7513 -19.7513 -19.7347 -19.7347 -10.4451 -10.4451 -10.4360 -10.4360 -7.7098 -7.7096 -7.7087 -7.7086 -5.5051 -5.5029 -5.4822 -5.4803 -2.7202 -2.7105 -2.6299 -2.6209 -1.5669 -1.5384 -1.5226 -1.4954 -0.7156 -0.6861 -0.6519 -0.6071 -0.3056 -0.2437 -0.2340 -0.1738 5.4153 5.4238 5.5427 5.5532 6.4474 6.4490 6.5717 6.5812 k = 0.4231 0.6763 0.2146 ( 23318 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7497 -19.7497 -19.7364 -19.7364 -10.4440 -10.4439 -10.4367 -10.4366 -7.7100 -7.7099 -7.7091 -7.7090 -5.5032 -5.5009 -5.4848 -5.4828 -2.7153 -2.7055 -2.6431 -2.6340 -1.5609 -1.5323 -1.5243 -1.4968 -0.7093 -0.6770 -0.6572 -0.6124 -0.3001 -0.2495 -0.2267 -0.1779 5.4440 5.4533 5.5435 5.5544 6.4561 6.4588 6.5656 6.5750 k = 0.4423 0.6763 0.2146 ( 23308 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7480 -19.7480 -19.7380 -19.7380 -10.4429 -10.4428 -10.4374 -10.4374 -7.7101 -7.7100 -7.7095 -7.7094 -5.5012 -5.4989 -5.4873 -5.4853 -2.7095 -2.6998 -2.6554 -2.6462 -1.5551 -1.5269 -1.5265 -1.4992 -0.7027 -0.6679 -0.6630 -0.6187 -0.2942 -0.2555 -0.2195 -0.1825 5.4685 5.4786 5.5416 5.5528 6.4678 6.4717 6.5564 6.5653 k = 0.4615 0.6763 0.2146 ( 23308 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7464 -19.7464 -19.7397 -19.7397 -10.4418 -10.4418 -10.4381 -10.4381 -7.7102 -7.7101 -7.7098 -7.7097 -5.4990 -5.4968 -5.4898 -5.4877 -2.7028 -2.6931 -2.6668 -2.6574 -1.5494 -1.5303 -1.5208 -1.5024 -0.6959 -0.6692 -0.6589 -0.6256 -0.2879 -0.2618 -0.2125 -0.1876 5.4891 5.4998 5.5370 5.5484 6.4820 6.4869 6.5443 6.5526 k = 0.4808 0.6763 0.2146 ( 23312 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7447 -19.7447 -19.7413 -19.7413 -10.4408 -10.4408 -10.4390 -10.4390 -7.7102 -7.7101 -7.7100 -7.7099 -5.4968 -5.4946 -5.4922 -5.4901 -2.6952 -2.6856 -2.6772 -2.6678 -1.5440 -1.5343 -1.5155 -1.5062 -0.6891 -0.6756 -0.6500 -0.6333 -0.2814 -0.2682 -0.2057 -0.1932 5.5060 5.5171 5.5296 5.5411 6.4977 6.5036 6.5298 6.5375 k = 0.5000 0.6763 0.2146 ( 23300 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7430 -19.7430 -19.7430 -19.7430 -10.4399 -10.4399 -10.4398 -10.4398 -7.7101 -7.7101 -7.7100 -7.7100 -5.4945 -5.4945 -5.4924 -5.4924 -2.6867 -2.6867 -2.6771 -2.6771 -1.5389 -1.5389 -1.5106 -1.5106 -0.6823 -0.6823 -0.6414 -0.6414 -0.2748 -0.2748 -0.1993 -0.1993 5.5194 5.5194 5.5308 5.5308 6.5140 6.5140 6.5208 6.5208 k = 0.5000 0.6763 0.2146 ( 23300 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7430 -19.7430 -19.7430 -19.7430 -10.4399 -10.4399 -10.4398 -10.4398 -7.7101 -7.7101 -7.7100 -7.7100 -5.4945 -5.4945 -5.4924 -5.4924 -2.6867 -2.6867 -2.6771 -2.6771 -1.5389 -1.5389 -1.5106 -1.5106 -0.6823 -0.6823 -0.6414 -0.6414 -0.2748 -0.2748 -0.1993 -0.1993 5.5194 5.5194 5.5308 5.5308 6.5140 6.5140 6.5208 6.5208 k = 0.5000 0.6818 0.1972 ( 23312 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7430 -19.7430 -19.7430 -19.7430 -10.4399 -10.4399 -10.4399 -10.4399 -7.7102 -7.7102 -7.7100 -7.7100 -5.4944 -5.4944 -5.4923 -5.4923 -2.6867 -2.6867 -2.6771 -2.6771 -1.5390 -1.5390 -1.5105 -1.5105 -0.6830 -0.6830 -0.6411 -0.6411 -0.2749 -0.2749 -0.1988 -0.1988 5.5202 5.5202 5.5318 5.5318 6.5152 6.5152 6.5223 6.5223 k = 0.5000 0.6873 0.1798 ( 23318 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7430 -19.7430 -19.7430 -19.7430 -10.4400 -10.4400 -10.4399 -10.4399 -7.7103 -7.7103 -7.7101 -7.7101 -5.4941 -5.4941 -5.4919 -5.4919 -2.6868 -2.6868 -2.6770 -2.6770 -1.5394 -1.5394 -1.5103 -1.5103 -0.6850 -0.6850 -0.6401 -0.6401 -0.2754 -0.2754 -0.1976 -0.1976 5.5226 5.5226 5.5349 5.5349 6.5190 6.5190 6.5267 6.5267 k = 0.5000 0.6928 0.1624 ( 23332 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7430 -19.7430 -19.7430 -19.7430 -10.4401 -10.4401 -10.4400 -10.4400 -7.7104 -7.7104 -7.7102 -7.7102 -5.4935 -5.4935 -5.4913 -5.4913 -2.6869 -2.6869 -2.6769 -2.6769 -1.5401 -1.5401 -1.5099 -1.5099 -0.6880 -0.6880 -0.6387 -0.6387 -0.2760 -0.2760 -0.1955 -0.1955 5.5268 5.5268 5.5400 5.5400 6.5252 6.5252 6.5338 6.5338 k = 0.5000 0.6984 0.1450 ( 23326 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7430 -19.7430 -19.7430 -19.7430 -10.4402 -10.4402 -10.4402 -10.4402 -7.7106 -7.7106 -7.7103 -7.7103 -5.4927 -5.4927 -5.4906 -5.4906 -2.6871 -2.6871 -2.6768 -2.6768 -1.5409 -1.5409 -1.5093 -1.5093 -0.6919 -0.6919 -0.6371 -0.6371 -0.2768 -0.2768 -0.1928 -0.1928 5.5328 5.5328 5.5471 5.5471 6.5336 6.5336 6.5434 6.5434 k = 0.5000 0.7039 0.1277 ( 23330 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7430 -19.7430 -19.7430 -19.7430 -10.4404 -10.4404 -10.4404 -10.4404 -7.7109 -7.7109 -7.7105 -7.7105 -5.4916 -5.4916 -5.4896 -5.4896 -2.6872 -2.6872 -2.6765 -2.6765 -1.5420 -1.5420 -1.5085 -1.5085 -0.6964 -0.6964 -0.6354 -0.6354 -0.2776 -0.2776 -0.1897 -0.1897 5.5407 5.5407 5.5563 5.5563 6.5439 6.5439 6.5550 6.5550 k = 0.5000 0.7094 0.1103 ( 23334 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7430 -19.7430 -19.7430 -19.7430 -10.4407 -10.4407 -10.4406 -10.4406 -7.7112 -7.7112 -7.7108 -7.7108 -5.4904 -5.4904 -5.4884 -5.4884 -2.6874 -2.6874 -2.6763 -2.6763 -1.5433 -1.5433 -1.5077 -1.5077 -0.7012 -0.7012 -0.6337 -0.6337 -0.2784 -0.2784 -0.1863 -0.1863 5.5505 5.5505 5.5675 5.5675 6.5558 6.5558 6.5682 6.5682 k = 0.5000 0.7149 0.0929 ( 23324 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7431 -19.7431 -19.7431 -19.7431 -10.4409 -10.4409 -10.4409 -10.4409 -7.7115 -7.7115 -7.7111 -7.7111 -5.4890 -5.4890 -5.4870 -5.4870 -2.6876 -2.6876 -2.6760 -2.6760 -1.5447 -1.5447 -1.5067 -1.5067 -0.7062 -0.7062 -0.6320 -0.6320 -0.2790 -0.2790 -0.1826 -0.1826 5.5625 5.5625 5.5809 5.5809 6.5685 6.5685 6.5824 6.5824 k = 0.5000 0.7204 0.0755 ( 23318 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7431 -19.7431 -19.7431 -19.7431 -10.4412 -10.4412 -10.4412 -10.4412 -7.7119 -7.7119 -7.7114 -7.7114 -5.4874 -5.4874 -5.4855 -5.4855 -2.6878 -2.6878 -2.6757 -2.6757 -1.5463 -1.5463 -1.5055 -1.5055 -0.7113 -0.7113 -0.6305 -0.6305 -0.2795 -0.2795 -0.1790 -0.1790 5.5765 5.5765 5.5964 5.5964 6.5816 6.5816 6.5968 6.5968 k = 0.5000 0.7259 0.0581 ( 23322 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7431 -19.7431 -19.7431 -19.7431 -10.4416 -10.4416 -10.4415 -10.4415 -7.7123 -7.7123 -7.7118 -7.7118 -5.4857 -5.4857 -5.4839 -5.4839 -2.6880 -2.6880 -2.6753 -2.6753 -1.5479 -1.5479 -1.5042 -1.5042 -0.7164 -0.7164 -0.6290 -0.6290 -0.2798 -0.2798 -0.1754 -0.1754 5.5928 5.5928 5.6140 5.6140 6.5938 6.5938 6.6105 6.6105 k = 0.5000 0.7315 0.0407 ( 23322 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7431 -19.7431 -19.7431 -19.7431 -10.4420 -10.4420 -10.4419 -10.4419 -7.7128 -7.7128 -7.7122 -7.7122 -5.4839 -5.4839 -5.4821 -5.4821 -2.6882 -2.6882 -2.6748 -2.6748 -1.5497 -1.5497 -1.5028 -1.5028 -0.7214 -0.7214 -0.6275 -0.6275 -0.2799 -0.2799 -0.1719 -0.1719 5.6111 5.6111 5.6337 5.6337 6.6043 6.6043 6.6224 6.6224 k = 0.5000 0.7370 0.0233 ( 23328 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7431 -19.7431 -19.7431 -19.7431 -10.4424 -10.4424 -10.4423 -10.4423 -7.7133 -7.7133 -7.7127 -7.7127 -5.4820 -5.4820 -5.4803 -5.4803 -2.6883 -2.6883 -2.6744 -2.6744 -1.5515 -1.5515 -1.5013 -1.5013 -0.7262 -0.7262 -0.6259 -0.6259 -0.2798 -0.2798 -0.1687 -0.1687 5.6314 5.6314 5.6554 5.6554 6.6116 6.6116 6.6310 6.6310 k = 0.5000 0.7425 0.0059 ( 23336 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7431 -19.7431 -19.7431 -19.7431 -10.4428 -10.4428 -10.4427 -10.4427 -7.7138 -7.7138 -7.7132 -7.7131 -5.4801 -5.4801 -5.4784 -5.4784 -2.6884 -2.6884 -2.6738 -2.6738 -1.5534 -1.5534 -1.4995 -1.4995 -0.7307 -0.7307 -0.6242 -0.6242 -0.2796 -0.2796 -0.1658 -0.1658 5.6537 5.6537 5.6790 5.6790 6.6141 6.6141 6.6348 6.6348 k = 0.5000 0.7425 0.0059 ( 23336 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7431 -19.7431 -19.7431 -19.7431 -10.4428 -10.4428 -10.4427 -10.4427 -7.7138 -7.7138 -7.7132 -7.7131 -5.4801 -5.4801 -5.4784 -5.4784 -2.6884 -2.6884 -2.6738 -2.6738 -1.5534 -1.5534 -1.4995 -1.4995 -0.7307 -0.7307 -0.6242 -0.6242 -0.2796 -0.2796 -0.1658 -0.1658 5.6537 5.6537 5.6790 5.6790 6.6141 6.6141 6.6348 6.6348 k = 0.5000 0.7370-0.0120 ( 23326 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7431 -19.7431 -19.7431 -19.7431 -10.4422 -10.4422 -10.4421 -10.4421 -7.7149 -7.7149 -7.7142 -7.7142 -5.4785 -5.4785 -5.4770 -5.4770 -2.6896 -2.6896 -2.6755 -2.6755 -1.5548 -1.5548 -1.5028 -1.5028 -0.7273 -0.7273 -0.6280 -0.6280 -0.2781 -0.2781 -0.1673 -0.1673 5.6603 5.6603 5.6857 5.6857 6.6166 6.6166 6.6388 6.6388 k = 0.5000 0.7315-0.0299 ( 23322 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7431 -19.7431 -19.7431 -19.7431 -10.4416 -10.4416 -10.4415 -10.4415 -7.7160 -7.7160 -7.7153 -7.7153 -5.4770 -5.4770 -5.4755 -5.4755 -2.6907 -2.6907 -2.6772 -2.6772 -1.5562 -1.5562 -1.5058 -1.5058 -0.7235 -0.7235 -0.6317 -0.6317 -0.2765 -0.2765 -0.1690 -0.1690 5.6681 5.6681 5.6934 5.6934 6.6116 6.6116 6.6349 6.6349 k = 0.5000 0.7259-0.0477 ( 23314 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7431 -19.7431 -19.7431 -19.7431 -10.4410 -10.4410 -10.4410 -10.4410 -7.7171 -7.7171 -7.7164 -7.7164 -5.4755 -5.4755 -5.4741 -5.4741 -2.6918 -2.6918 -2.6788 -2.6788 -1.5577 -1.5577 -1.5084 -1.5084 -0.7195 -0.7195 -0.6353 -0.6353 -0.2747 -0.2747 -0.1710 -0.1710 5.6772 5.6772 5.7022 5.7022 6.5994 6.5994 6.6230 6.6230 k = 0.5000 0.7204-0.0656 ( 23316 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7431 -19.7431 -19.7431 -19.7431 -10.4405 -10.4405 -10.4404 -10.4404 -7.7182 -7.7182 -7.7174 -7.7174 -5.4740 -5.4740 -5.4728 -5.4728 -2.6928 -2.6928 -2.6802 -2.6802 -1.5591 -1.5591 -1.5108 -1.5108 -0.7152 -0.7152 -0.6389 -0.6389 -0.2728 -0.2728 -0.1732 -0.1732 5.6874 5.6874 5.7122 5.7122 6.5808 6.5808 6.6041 6.6041 k = 0.5000 0.7149-0.0835 ( 23328 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7431 -19.7431 -19.7431 -19.7431 -10.4400 -10.4400 -10.4400 -10.4400 -7.7192 -7.7192 -7.7184 -7.7184 -5.4727 -5.4727 -5.4716 -5.4716 -2.6937 -2.6937 -2.6816 -2.6816 -1.5605 -1.5605 -1.5129 -1.5129 -0.7108 -0.7108 -0.6425 -0.6425 -0.2709 -0.2709 -0.1756 -0.1756 5.6985 5.6985 5.7230 5.7230 6.5578 6.5578 6.5803 6.5803 k = 0.5000 0.7094-0.1014 ( 23330 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7430 -19.7430 -19.7430 -19.7430 -10.4396 -10.4396 -10.4396 -10.4396 -7.7201 -7.7201 -7.7193 -7.7193 -5.4714 -5.4714 -5.4704 -5.4704 -2.6945 -2.6945 -2.6828 -2.6828 -1.5618 -1.5618 -1.5147 -1.5147 -0.7062 -0.7062 -0.6461 -0.6461 -0.2690 -0.2690 -0.1780 -0.1780 5.7103 5.7103 5.7345 5.7345 6.5324 6.5324 6.5536 6.5536 k = 0.5000 0.7039-0.1193 ( 23322 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7430 -19.7430 -19.7430 -19.7430 -10.4392 -10.4392 -10.4392 -10.4392 -7.7209 -7.7209 -7.7201 -7.7201 -5.4703 -5.4703 -5.4694 -5.4694 -2.6952 -2.6952 -2.6839 -2.6839 -1.5630 -1.5630 -1.5162 -1.5162 -0.7016 -0.7016 -0.6497 -0.6497 -0.2671 -0.2671 -0.1803 -0.1803 5.7222 5.7222 5.7461 5.7461 6.5067 6.5067 6.5263 6.5263 k = 0.5000 0.6984-0.1372 ( 23324 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7430 -19.7430 -19.7430 -19.7430 -10.4389 -10.4389 -10.4389 -10.4389 -7.7216 -7.7216 -7.7208 -7.7208 -5.4693 -5.4693 -5.4686 -5.4686 -2.6957 -2.6957 -2.6848 -2.6848 -1.5640 -1.5640 -1.5175 -1.5175 -0.6972 -0.6972 -0.6533 -0.6533 -0.2653 -0.2653 -0.1825 -0.1825 5.7336 5.7336 5.7571 5.7571 6.4827 6.4827 6.5004 6.5004 k = 0.5000 0.6928-0.1550 ( 23304 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7430 -19.7430 -19.7430 -19.7430 -10.4387 -10.4387 -10.4387 -10.4386 -7.7222 -7.7222 -7.7213 -7.7213 -5.4685 -5.4685 -5.4679 -5.4679 -2.6962 -2.6962 -2.6855 -2.6855 -1.5648 -1.5648 -1.5184 -1.5184 -0.6929 -0.6929 -0.6568 -0.6568 -0.2638 -0.2638 -0.1844 -0.1844 5.7437 5.7437 5.7669 5.7669 6.4621 6.4621 6.4779 6.4779 k = 0.5000 0.6873-0.1729 ( 23304 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7430 -19.7430 -19.7430 -19.7430 -10.4385 -10.4385 -10.4385 -10.4385 -7.7226 -7.7226 -7.7217 -7.7217 -5.4680 -5.4680 -5.4675 -5.4675 -2.6965 -2.6965 -2.6860 -2.6860 -1.5654 -1.5654 -1.5191 -1.5191 -0.6892 -0.6892 -0.6600 -0.6600 -0.2627 -0.2627 -0.1859 -0.1859 5.7516 5.7516 5.7746 5.7746 6.4463 6.4463 6.4603 6.4603 k = 0.5000 0.6818-0.1908 ( 23302 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7430 -19.7430 -19.7430 -19.7430 -10.4384 -10.4384 -10.4384 -10.4384 -7.7228 -7.7228 -7.7220 -7.7220 -5.4676 -5.4676 -5.4672 -5.4672 -2.6967 -2.6967 -2.6863 -2.6863 -1.5657 -1.5657 -1.5195 -1.5195 -0.6864 -0.6864 -0.6624 -0.6624 -0.2619 -0.2619 -0.1868 -0.1868 5.7568 5.7568 5.7796 5.7796 6.4364 6.4364 6.4491 6.4491 k = 0.5000 0.6763-0.2087 ( 23304 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7430 -19.7430 -19.7430 -19.7430 -10.4384 -10.4384 -10.4383 -10.4383 -7.7229 -7.7229 -7.7221 -7.7221 -5.4675 -5.4675 -5.4671 -5.4671 -2.6968 -2.6968 -2.6864 -2.6864 -1.5659 -1.5659 -1.5197 -1.5197 -0.6853 -0.6853 -0.6633 -0.6633 -0.2617 -0.2617 -0.1871 -0.1871 5.7586 5.7586 5.7813 5.7813 6.4330 6.4330 6.4452 6.4452 k = 0.5000 0.6763-0.2087 ( 23304 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7430 -19.7430 -19.7430 -19.7430 -10.4384 -10.4384 -10.4383 -10.4383 -7.7229 -7.7229 -7.7221 -7.7221 -5.4675 -5.4675 -5.4671 -5.4671 -2.6968 -2.6968 -2.6864 -2.6864 -1.5659 -1.5659 -1.5197 -1.5197 -0.6853 -0.6853 -0.6633 -0.6633 -0.2617 -0.2617 -0.1871 -0.1871 5.7586 5.7586 5.7813 5.7813 6.4330 6.4330 6.4452 6.4452 k = 0.4808 0.6763-0.2087 ( 23308 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7447 -19.7447 -19.7413 -19.7413 -10.4388 -10.4388 -10.4379 -10.4379 -7.7239 -7.7231 -7.7218 -7.7210 -5.4687 -5.4683 -5.4662 -5.4658 -2.7056 -2.6955 -2.6870 -2.6764 -1.5696 -1.5627 -1.5248 -1.5151 -0.6922 -0.6786 -0.6722 -0.6547 -0.2664 -0.2571 -0.1934 -0.1814 5.7178 5.7404 5.8013 5.8240 6.4090 6.4203 6.4545 6.4675 k = 0.4615 0.6763-0.2087 ( 23306 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7464 -19.7464 -19.7397 -19.7397 -10.4394 -10.4394 -10.4376 -10.4375 -7.7249 -7.7240 -7.7207 -7.7198 -5.4699 -5.4694 -5.4648 -5.4645 -2.7134 -2.7036 -2.6762 -2.6652 -1.5739 -1.5602 -1.5306 -1.5113 -0.6989 -0.6813 -0.6720 -0.6465 -0.2713 -0.2527 -0.2001 -0.1762 5.6795 5.7017 5.8456 5.8680 6.3830 6.3931 6.4727 6.4860 k = 0.4423 0.6763-0.2087 ( 23304 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7480 -19.7480 -19.7380 -19.7380 -10.4400 -10.4399 -10.4373 -10.4372 -7.7257 -7.7249 -7.7195 -7.7186 -5.4709 -5.4704 -5.4634 -5.4632 -2.7201 -2.7106 -2.6643 -2.6531 -1.5786 -1.5583 -1.5368 -1.5082 -0.7056 -0.6903 -0.6656 -0.6389 -0.2762 -0.2486 -0.2073 -0.1717 5.6438 5.6655 5.8910 5.9127 6.3550 6.3637 6.4858 6.4991 k = 0.4231 0.6763-0.2087 ( 23306 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7497 -19.7497 -19.7363 -19.7363 -10.4406 -10.4406 -10.4370 -10.4370 -7.7265 -7.7257 -7.7182 -7.7174 -5.4719 -5.4714 -5.4619 -5.4617 -2.7259 -2.7167 -2.6514 -2.6399 -1.5838 -1.5571 -1.5436 -1.5059 -0.7119 -0.6992 -0.6597 -0.6321 -0.2812 -0.2447 -0.2147 -0.1678 5.6111 5.6321 5.9369 5.9577 6.3252 6.3324 6.4914 6.5040 k = 0.4038 0.6763-0.2087 ( 23316 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7513 -19.7513 -19.7347 -19.7347 -10.4413 -10.4413 -10.4368 -10.4368 -7.7272 -7.7264 -7.7168 -7.7160 -5.4728 -5.4722 -5.4604 -5.4603 -2.7308 -2.7219 -2.6376 -2.6258 -1.5895 -1.5567 -1.5507 -1.5045 -0.7179 -0.7078 -0.6542 -0.6261 -0.2861 -0.2409 -0.2224 -0.1645 5.5817 5.6017 5.9828 6.0022 6.2935 6.2990 6.4859 6.4968 k = 0.3846 0.6763-0.2087 ( 23322 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7529 -19.7529 -19.7331 -19.7331 -10.4420 -10.4420 -10.4367 -10.4367 -7.7278 -7.7270 -7.7155 -7.7147 -5.4736 -5.4730 -5.4589 -5.4588 -2.7348 -2.7262 -2.6228 -2.6107 -1.5955 -1.5583 -1.5570 -1.5041 -0.7235 -0.7159 -0.6493 -0.6210 -0.2909 -0.2374 -0.2303 -0.1619 5.5555 5.5745 6.0278 6.0453 6.2600 6.2635 6.4660 6.4744 k = 0.3654 0.6763-0.2087 ( 23332 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7544 -19.7544 -19.7316 -19.7316 -10.4428 -10.4427 -10.4366 -10.4366 -7.7284 -7.7275 -7.7140 -7.7133 -5.4743 -5.4737 -5.4574 -5.4573 -2.7379 -2.7296 -2.6070 -2.5947 -1.6018 -1.5662 -1.5581 -1.5046 -0.7286 -0.7236 -0.6451 -0.6170 -0.2955 -0.2382 -0.2341 -0.1599 5.5329 5.5506 6.0709 6.0855 6.2248 6.2261 6.4312 6.4361 k = 0.3462 0.6763-0.2087 ( 23336 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7560 -19.7560 -19.7301 -19.7301 -10.4435 -10.4435 -10.4366 -10.4366 -7.7288 -7.7280 -7.7126 -7.7119 -5.4750 -5.4744 -5.4558 -5.4558 -2.7403 -2.7322 -2.5905 -2.5779 -1.6085 -1.5744 -1.5599 -1.5062 -0.7331 -0.7306 -0.6417 -0.6142 -0.2998 -0.2460 -0.2309 -0.1584 5.5138 5.5301 6.1100 6.1200 6.1868 6.1882 6.3861 6.3862 k = 0.3269 0.6763-0.2087 ( 23346 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7574 -19.7574 -19.7286 -19.7286 -10.4443 -10.4443 -10.4366 -10.4366 -7.7292 -7.7284 -7.7111 -7.7105 -5.4755 -5.4749 -5.4543 -5.4543 -2.7418 -2.7341 -2.5731 -2.5603 -1.6154 -1.5829 -1.5626 -1.5088 -0.7370 -0.7368 -0.6391 -0.6125 -0.3038 -0.2536 -0.2279 -0.1576 5.4982 5.5129 6.1379 6.1397 6.1462 6.1544 6.3344 6.3414 k = 0.3077 0.6763-0.2087 ( 23340 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7588 -19.7588 -19.7272 -19.7272 -10.4451 -10.4451 -10.4367 -10.4366 -7.7295 -7.7288 -7.7097 -7.7090 -5.4760 -5.4754 -5.4528 -5.4528 -2.7427 -2.7353 -2.5551 -2.5420 -1.6226 -1.5916 -1.5659 -1.5125 -0.7422 -0.7403 -0.6374 -0.6120 -0.3075 -0.2610 -0.2249 -0.1572 5.4861 5.4991 6.1035 6.1075 6.1406 6.1457 6.3002 6.3167 k = 0.2885 0.6763-0.2087 ( 23352 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7602 -19.7602 -19.7258 -19.7258 -10.4460 -10.4459 -10.4368 -10.4367 -7.7298 -7.7291 -7.7082 -7.7076 -5.4764 -5.4758 -5.4513 -5.4513 -2.7430 -2.7359 -2.5364 -2.5232 -1.6300 -1.6006 -1.5700 -1.5172 -0.7468 -0.7429 -0.6367 -0.6127 -0.3107 -0.2681 -0.2221 -0.1573 5.4773 5.4884 6.0598 6.0675 6.1010 6.1117 6.3026 6.3227 k = 0.2692 0.6763-0.2087 ( 23340 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7615 -19.7615 -19.7245 -19.7245 -10.4468 -10.4468 -10.4369 -10.4369 -7.7300 -7.7293 -7.7068 -7.7062 -5.4767 -5.4761 -5.4499 -5.4498 -2.7428 -2.7360 -2.5172 -2.5039 -1.6376 -1.6097 -1.5747 -1.5229 -0.7505 -0.7447 -0.6368 -0.6146 -0.3136 -0.2748 -0.2192 -0.1578 5.4718 5.4807 6.0140 6.0245 6.0451 6.0559 6.3272 6.3460 k = 0.2500 0.6763-0.2087 ( 23362 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7627 -19.7627 -19.7233 -19.7233 -10.4476 -10.4476 -10.4370 -10.4370 -7.7301 -7.7295 -7.7054 -7.7048 -5.4770 -5.4764 -5.4485 -5.4484 -2.7420 -2.7356 -2.4977 -2.4843 -1.6454 -1.6190 -1.5798 -1.5295 -0.7532 -0.7459 -0.6380 -0.6174 -0.3160 -0.2809 -0.2165 -0.1586 5.4693 5.4759 5.9631 5.9699 5.9954 5.9991 6.3585 6.3752 k = 0.2308 0.6763-0.2087 ( 23378 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7639 -19.7639 -19.7222 -19.7222 -10.4483 -10.4483 -10.4372 -10.4372 -7.7303 -7.7296 -7.7040 -7.7035 -5.4772 -5.4766 -5.4471 -5.4470 -2.7409 -2.7348 -2.4780 -2.4646 -1.6533 -1.6283 -1.5854 -1.5369 -0.7551 -0.7465 -0.6400 -0.6212 -0.3181 -0.2866 -0.2137 -0.1598 5.4695 5.4735 5.9047 5.9066 5.9504 5.9551 6.3911 6.4059 k = 0.2115 0.6763-0.2087 ( 23382 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7650 -19.7650 -19.7211 -19.7211 -10.4491 -10.4491 -10.4374 -10.4374 -7.7303 -7.7297 -7.7027 -7.7023 -5.4773 -5.4768 -5.4459 -5.4457 -2.7394 -2.7337 -2.4582 -2.4449 -1.6612 -1.6378 -1.5912 -1.5450 -0.7560 -0.7464 -0.6428 -0.6257 -0.3198 -0.2918 -0.2109 -0.1611 5.4720 5.4734 5.8438 5.8438 5.9083 5.9180 6.4232 6.4362 k = 0.1923 0.6763-0.2087 ( 23380 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7660 -19.7660 -19.7201 -19.7201 -10.4498 -10.4498 -10.4376 -10.4375 -7.7304 -7.7298 -7.7015 -7.7011 -5.4774 -5.4769 -5.4447 -5.4445 -2.7377 -2.7324 -2.4386 -2.4256 -1.6692 -1.6472 -1.5971 -1.5536 -0.7562 -0.7457 -0.6464 -0.6309 -0.3211 -0.2964 -0.2082 -0.1627 5.4750 5.4764 5.7840 5.7846 5.8701 5.8835 6.4540 6.4654 k = 0.1731 0.6763-0.2087 ( 23386 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7669 -19.7669 -19.7192 -19.7192 -10.4505 -10.4505 -10.4378 -10.4377 -7.7304 -7.7299 -7.7003 -7.6999 -5.4775 -5.4770 -5.4435 -5.4434 -2.7358 -2.7310 -2.4194 -2.4067 -1.6770 -1.6566 -1.6029 -1.5626 -0.7555 -0.7444 -0.6506 -0.6365 -0.3221 -0.3006 -0.2055 -0.1644 5.4779 5.4821 5.7283 5.7291 5.8356 5.8518 6.4831 6.4930 k = 0.1538 0.6763-0.2087 ( 23386 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7677 -19.7677 -19.7184 -19.7184 -10.4511 -10.4511 -10.4379 -10.4379 -7.7304 -7.7299 -7.6993 -7.6989 -5.4775 -5.4771 -5.4425 -5.4424 -2.7338 -2.7294 -2.4008 -2.3886 -1.6847 -1.6658 -1.6084 -1.5716 -0.7542 -0.7428 -0.6553 -0.6425 -0.3229 -0.3043 -0.2028 -0.1662 5.4816 5.4886 5.6773 5.6782 5.8048 5.8233 6.5101 6.5187 k = 0.1346 0.6763-0.2087 ( 23384 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7684 -19.7684 -19.7176 -19.7176 -10.4517 -10.4517 -10.4381 -10.4381 -7.7303 -7.7299 -7.6983 -7.6980 -5.4775 -5.4771 -5.4416 -5.4415 -2.7318 -2.7279 -2.3831 -2.3717 -1.6921 -1.6748 -1.6135 -1.5806 -0.7522 -0.7407 -0.6604 -0.6487 -0.3234 -0.3075 -0.2001 -0.1681 5.4858 5.4951 5.6316 5.6324 5.7781 5.7983 6.5348 6.5421 k = 0.1154 0.6763-0.2087 ( 23376 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7691 -19.7691 -19.7170 -19.7170 -10.4522 -10.4522 -10.4383 -10.4383 -7.7303 -7.7300 -7.6974 -7.6972 -5.4775 -5.4771 -5.4408 -5.4407 -2.7298 -2.7265 -2.3667 -2.3562 -1.6989 -1.6834 -1.6179 -1.5892 -0.7496 -0.7384 -0.6655 -0.6549 -0.3237 -0.3104 -0.1974 -0.1701 5.4899 5.5010 5.5914 5.5922 5.7559 5.7770 6.5569 6.5631 k = 0.0962 0.6763-0.2087 ( 23370 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7696 -19.7696 -19.7164 -19.7164 -10.4526 -10.4526 -10.4384 -10.4384 -7.7302 -7.7300 -7.6967 -7.6965 -5.4775 -5.4772 -5.4401 -5.4400 -2.7280 -2.7252 -2.3518 -2.3425 -1.7050 -1.6915 -1.6215 -1.5973 -0.7466 -0.7359 -0.6705 -0.6609 -0.3237 -0.3128 -0.1948 -0.1721 5.4936 5.5056 5.5571 5.5577 5.7386 5.7594 6.5761 6.5812 k = 0.0769 0.6763-0.2087 ( 23374 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7701 -19.7701 -19.7160 -19.7160 -10.4530 -10.4530 -10.4386 -10.4385 -7.7302 -7.7300 -7.6961 -7.6959 -5.4774 -5.4772 -5.4395 -5.4394 -2.7264 -2.7241 -2.3387 -2.3309 -1.7101 -1.6989 -1.6242 -1.6046 -0.7433 -0.7336 -0.6752 -0.6667 -0.3236 -0.3150 -0.1923 -0.1742 5.4967 5.5082 5.5289 5.5297 5.7261 5.7452 6.5923 6.5963 k = 0.0577 0.6763-0.2087 ( 23364 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7704 -19.7704 -19.7156 -19.7156 -10.4533 -10.4533 -10.4387 -10.4387 -7.7301 -7.7300 -7.6956 -7.6954 -5.4774 -5.4772 -5.4390 -5.4390 -2.7250 -2.7233 -2.3278 -2.3217 -1.7141 -1.7053 -1.6258 -1.6111 -0.7399 -0.7316 -0.6791 -0.6720 -0.3233 -0.3169 -0.1898 -0.1763 5.4982 5.5041 5.5080 5.5126 5.7183 5.7341 6.6052 6.6082 k = 0.0385 0.6763-0.2087 ( 23366 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7707 -19.7707 -19.7154 -19.7154 -10.4535 -10.4535 -10.4387 -10.4387 -7.7301 -7.7300 -7.6952 -7.6951 -5.4773 -5.4772 -5.4387 -5.4387 -2.7239 -2.7227 -2.3195 -2.3153 -1.7166 -1.7106 -1.6263 -1.6165 -0.7365 -0.7304 -0.6818 -0.6766 -0.3227 -0.3185 -0.1874 -0.1784 5.4892 5.4898 5.5035 5.5107 5.7144 5.7258 6.6147 6.6167 k = 0.0192 0.6763-0.2087 ( 23360 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7708 -19.7708 -19.7152 -19.7152 -10.4536 -10.4536 -10.4388 -10.4388 -7.7301 -7.7300 -7.6950 -7.6949 -5.4773 -5.4772 -5.4385 -5.4385 -2.7231 -2.7225 -2.3139 -2.3118 -1.7175 -1.7145 -1.6257 -1.6207 -0.7336 -0.7303 -0.6830 -0.6802 -0.3220 -0.3199 -0.1851 -0.1806 5.4801 5.4803 5.5053 5.5092 5.7137 5.7197 6.6207 6.6216 k = 0.0000 0.6763-0.2087 ( 23370 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7709 -19.7709 -19.7152 -19.7152 -10.4536 -10.4536 -10.4388 -10.4388 -7.7300 -7.7300 -7.6949 -7.6949 -5.4773 -5.4773 -5.4384 -5.4384 -2.7226 -2.7226 -2.3113 -2.3113 -1.7168 -1.7168 -1.6238 -1.6238 -0.7314 -0.7314 -0.6824 -0.6824 -0.3210 -0.3210 -0.1828 -0.1828 5.4770 5.4770 5.5073 5.5073 5.7156 5.7156 6.6230 6.6230 k = 0.0000 0.6763-0.2087 ( 23370 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7709 -19.7709 -19.7152 -19.7152 -10.4536 -10.4536 -10.4388 -10.4388 -7.7300 -7.7300 -7.6949 -7.6949 -5.4773 -5.4773 -5.4384 -5.4384 -2.7226 -2.7226 -2.3113 -2.3113 -1.7168 -1.7168 -1.6238 -1.6238 -0.7314 -0.7314 -0.6824 -0.6824 -0.3210 -0.3210 -0.1828 -0.1828 5.4770 5.4770 5.5073 5.5073 5.7156 5.7156 6.6230 6.6230 k = 0.0000 0.6818-0.1908 ( 23361 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7709 -19.7709 -19.7152 -19.7152 -10.4536 -10.4536 -10.4389 -10.4389 -7.7299 -7.7299 -7.6948 -7.6948 -5.4775 -5.4774 -5.4385 -5.4384 -2.7229 -2.7223 -2.3118 -2.3110 -1.7194 -1.7146 -1.6242 -1.6223 -0.7327 -0.7297 -0.6830 -0.6818 -0.3223 -0.3187 -0.1856 -0.1810 5.4284 5.4314 5.5466 5.5492 5.7210 5.7224 6.6242 6.6255 k = 0.0000 0.6873-0.1729 ( 23353 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7709 -19.7709 -19.7152 -19.7152 -10.4534 -10.4534 -10.4393 -10.4393 -7.7295 -7.7295 -7.6947 -7.6947 -5.4782 -5.4780 -5.4385 -5.4384 -2.7230 -2.7220 -2.3124 -2.3108 -1.7222 -1.7127 -1.6235 -1.6199 -0.7337 -0.7277 -0.6835 -0.6813 -0.3227 -0.3154 -0.1893 -0.1802 5.3669 5.3705 5.5838 5.5869 5.7426 5.7457 6.6291 6.6315 k = 0.0000 0.6928-0.1550 ( 23343 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7709 -19.7709 -19.7152 -19.7152 -10.4531 -10.4531 -10.4400 -10.4400 -7.7289 -7.7288 -7.6946 -7.6946 -5.4792 -5.4790 -5.4386 -5.4383 -2.7232 -2.7216 -2.3131 -2.3108 -1.7251 -1.7112 -1.6217 -1.6167 -0.7343 -0.7257 -0.6838 -0.6809 -0.3220 -0.3111 -0.1940 -0.1804 5.3051 5.3092 5.5996 5.6033 5.7851 5.7901 6.6373 6.6409 k = 0.0000 0.6984-0.1372 ( 23357 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7709 -19.7709 -19.7152 -19.7152 -10.4526 -10.4526 -10.4409 -10.4409 -7.7280 -7.7280 -7.6944 -7.6943 -5.4806 -5.4803 -5.4387 -5.4384 -2.7232 -2.7212 -2.3139 -2.3109 -1.7278 -1.7101 -1.6189 -1.6128 -0.7346 -0.7235 -0.6837 -0.6806 -0.3203 -0.3059 -0.1996 -0.1816 5.2445 5.2490 5.5984 5.6029 5.8430 5.8500 6.6484 6.6529 k = 0.0000 0.7039-0.1193 ( 23366 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7709 -19.7709 -19.7152 -19.7152 -10.4521 -10.4521 -10.4420 -10.4420 -7.7269 -7.7268 -7.6941 -7.6941 -5.4823 -5.4820 -5.4388 -5.4384 -2.7233 -2.7208 -2.3148 -2.3112 -1.7302 -1.7093 -1.6153 -1.6083 -0.7347 -0.7214 -0.6835 -0.6799 -0.3176 -0.2998 -0.2061 -0.1837 5.1858 5.1908 5.5876 5.5927 5.9086 5.9177 6.6616 6.6669 k = 0.0000 0.7094-0.1014 ( 23355 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7709 -19.7709 -19.7152 -19.7152 -10.4514 -10.4514 -10.4434 -10.4434 -7.7256 -7.7255 -7.6938 -7.6938 -5.4843 -5.4839 -5.4390 -5.4386 -2.7233 -2.7203 -2.3158 -2.3116 -1.7323 -1.7085 -1.6111 -1.6035 -0.7349 -0.7194 -0.6835 -0.6782 -0.3141 -0.2929 -0.2133 -0.1866 5.1296 5.1349 5.5710 5.5767 5.9779 5.9892 6.6763 6.6822 k = 0.0000 0.7149-0.0835 ( 23367 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7709 -19.7709 -19.7152 -19.7152 -10.4506 -10.4506 -10.4450 -10.4450 -7.7241 -7.7240 -7.6935 -7.6934 -5.4865 -5.4861 -5.4392 -5.4387 -2.7233 -2.7199 -2.3169 -2.3122 -1.7338 -1.7075 -1.6065 -1.5982 -0.7354 -0.7174 -0.6841 -0.6752 -0.3097 -0.2852 -0.2211 -0.1903 5.0763 5.0818 5.5508 5.5569 6.0489 6.0627 6.6918 6.6980 k = 0.0000 0.7204-0.0656 ( 23368 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7709 -19.7709 -19.7152 -19.7152 -10.4498 -10.4498 -10.4467 -10.4467 -7.7224 -7.7223 -7.6932 -7.6931 -5.4888 -5.4884 -5.4394 -5.4390 -2.7233 -2.7195 -2.3180 -2.3129 -1.7347 -1.7064 -1.6017 -1.5928 -0.7362 -0.7151 -0.6850 -0.6711 -0.3045 -0.2771 -0.2295 -0.1946 5.0261 5.0318 5.5279 5.5345 6.1206 6.1371 6.7071 6.7135 k = 0.0000 0.7259-0.0477 ( 23362 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7709 -19.7709 -19.7153 -19.7153 -10.4495 -10.4495 -10.4481 -10.4480 -7.7206 -7.7206 -7.6929 -7.6928 -5.4913 -5.4909 -5.4397 -5.4393 -2.7234 -2.7192 -2.3191 -2.3137 -1.7350 -1.7048 -1.5970 -1.5872 -0.7376 -0.7125 -0.6862 -0.6661 -0.2986 -0.2687 -0.2380 -0.1994 4.9793 4.9850 5.5034 5.5103 6.1924 6.2119 6.7218 6.7280 k = 0.0000 0.7315-0.0299 ( 23356 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7710 -19.7710 -19.7153 -19.7153 -10.4512 -10.4512 -10.4474 -10.4473 -7.7188 -7.7187 -7.6926 -7.6925 -5.4939 -5.4935 -5.4400 -5.4396 -2.7235 -2.7189 -2.3202 -2.3146 -1.7346 -1.7028 -1.5923 -1.5814 -0.7396 -0.7095 -0.6875 -0.6602 -0.2924 -0.2615 -0.2453 -0.2044 4.9360 4.9418 5.4777 5.4848 6.2638 6.2863 6.7352 6.7409 k = 0.0000 0.7370-0.0120 ( 23369 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7710 -19.7710 -19.7153 -19.7153 -10.4535 -10.4535 -10.4462 -10.4462 -7.7168 -7.7167 -7.6923 -7.6923 -5.4965 -5.4961 -5.4403 -5.4399 -2.7237 -2.7187 -2.3213 -2.3156 -1.7334 -1.7003 -1.5878 -1.5757 -0.7419 -0.7064 -0.6886 -0.6538 -0.2865 -0.2612 -0.2457 -0.2089 4.8966 4.9022 5.4516 5.4587 6.3342 6.3601 6.7469 6.7520 k = 0.0000 0.7425 0.0059 ( 23374 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7710 -19.7710 -19.7153 -19.7153 -10.4560 -10.4559 -10.4449 -10.4449 -7.7148 -7.7148 -7.6922 -7.6921 -5.4990 -5.4987 -5.4407 -5.4402 -2.7240 -2.7185 -2.3223 -2.3167 -1.7314 -1.6971 -1.5836 -1.5701 -0.7446 -0.7037 -0.6891 -0.6469 -0.2832 -0.2655 -0.2403 -0.2115 4.8611 4.8666 5.4253 5.4325 6.4032 6.4325 6.7569 6.7609 k = 0.5000 0.6100 0.4233 ( 23336 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7431 -19.7431 -19.7431 -19.7431 -10.4428 -10.4428 -10.4427 -10.4427 -7.7138 -7.7138 -7.7132 -7.7131 -5.4801 -5.4801 -5.4784 -5.4784 -2.6884 -2.6884 -2.6738 -2.6738 -1.5534 -1.5534 -1.4995 -1.4995 -0.7307 -0.7307 -0.6242 -0.6242 -0.2796 -0.2796 -0.1658 -0.1658 5.6537 5.6537 5.6790 5.6790 6.6141 6.6141 6.6348 6.6348 k = 0.5000 0.5910 0.4233 ( 23338 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7432 -19.7432 -19.7432 -19.7432 -10.4449 -10.4449 -10.4448 -10.4448 -7.7128 -7.7128 -7.7122 -7.7122 -5.4790 -5.4790 -5.4773 -5.4773 -2.6862 -2.6862 -2.6695 -2.6695 -1.5542 -1.5542 -1.4896 -1.4896 -0.7438 -0.7438 -0.6146 -0.6146 -0.2812 -0.2812 -0.1584 -0.1584 5.6845 5.6845 5.7121 5.7121 6.6048 6.6048 6.6244 6.6244 k = 0.5000 0.5719 0.4233 ( 23352 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7433 -19.7433 -19.7433 -19.7433 -10.4474 -10.4474 -10.4473 -10.4473 -7.7118 -7.7118 -7.7112 -7.7112 -5.4776 -5.4776 -5.4759 -5.4759 -2.6835 -2.6835 -2.6644 -2.6644 -1.5545 -1.5545 -1.4781 -1.4781 -0.7564 -0.7564 -0.6048 -0.6048 -0.2822 -0.2822 -0.1503 -0.1503 5.7169 5.7169 5.7470 5.7470 6.5972 6.5972 6.6159 6.6159 k = 0.5000 0.5529 0.4233 ( 23330 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7435 -19.7435 -19.7435 -19.7435 -10.4503 -10.4503 -10.4502 -10.4502 -7.7107 -7.7107 -7.7101 -7.7101 -5.4759 -5.4759 -5.4742 -5.4742 -2.6802 -2.6802 -2.6589 -2.6589 -1.5540 -1.5540 -1.4654 -1.4654 -0.7684 -0.7684 -0.5949 -0.5948 -0.2825 -0.2825 -0.1418 -0.1418 5.7506 5.7506 5.7833 5.7833 6.5911 6.5911 6.6094 6.6094 k = 0.5000 0.5338 0.4233 ( 23336 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7436 -19.7436 -19.7436 -19.7436 -10.4536 -10.4536 -10.4535 -10.4535 -7.7095 -7.7095 -7.7090 -7.7090 -5.4740 -5.4740 -5.4722 -5.4722 -2.6764 -2.6764 -2.6529 -2.6529 -1.5527 -1.5527 -1.4516 -1.4516 -0.7794 -0.7794 -0.5847 -0.5847 -0.2821 -0.2821 -0.1328 -0.1328 5.7852 5.7852 5.8207 5.8207 6.5861 6.5861 6.6042 6.6042 k = 0.5000 0.5147 0.4233 ( 23336 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7438 -19.7438 -19.7438 -19.7438 -10.4573 -10.4573 -10.4571 -10.4571 -7.7083 -7.7083 -7.7078 -7.7078 -5.4718 -5.4718 -5.4700 -5.4700 -2.6722 -2.6722 -2.6466 -2.6466 -1.5504 -1.5504 -1.4371 -1.4371 -0.7893 -0.7893 -0.5742 -0.5742 -0.2808 -0.2808 -0.1234 -0.1234 5.8203 5.8203 5.8587 5.8587 6.5814 6.5814 6.6000 6.6000 k = 0.5000 0.4957 0.4233 ( 23332 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7439 -19.7439 -19.7439 -19.7439 -10.4613 -10.4613 -10.4611 -10.4611 -7.7071 -7.7071 -7.7066 -7.7066 -5.4693 -5.4693 -5.4676 -5.4676 -2.6678 -2.6678 -2.6402 -2.6402 -1.5473 -1.5473 -1.4221 -1.4221 -0.7977 -0.7977 -0.5634 -0.5634 -0.2786 -0.2786 -0.1136 -0.1136 5.8554 5.8554 5.8969 5.8969 6.5763 6.5763 6.5960 6.5960 k = 0.5000 0.4766 0.4233 ( 23330 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7441 -19.7441 -19.7441 -19.7441 -10.4655 -10.4655 -10.4654 -10.4654 -7.7058 -7.7058 -7.7053 -7.7053 -5.4667 -5.4667 -5.4649 -5.4649 -2.6631 -2.6631 -2.6337 -2.6337 -1.5433 -1.5433 -1.4069 -1.4069 -0.8043 -0.8043 -0.5521 -0.5521 -0.2756 -0.2756 -0.1036 -0.1036 5.8899 5.8899 5.9348 5.9348 6.5700 6.5700 6.5912 6.5912 k = 0.5000 0.4575 0.4233 ( 23340 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7443 -19.7443 -19.7443 -19.7443 -10.4701 -10.4701 -10.4700 -10.4700 -7.7044 -7.7044 -7.7040 -7.7040 -5.4638 -5.4638 -5.4620 -5.4620 -2.6582 -2.6582 -2.6274 -2.6274 -1.5384 -1.5384 -1.3918 -1.3918 -0.8089 -0.8089 -0.5402 -0.5402 -0.2718 -0.2718 -0.0933 -0.0933 5.9231 5.9231 5.9717 5.9717 6.5615 6.5615 6.5846 6.5847 k = 0.5000 0.4385 0.4233 ( 23342 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7446 -19.7446 -19.7446 -19.7446 -10.4749 -10.4749 -10.4747 -10.4747 -7.7031 -7.7031 -7.7027 -7.7027 -5.4608 -5.4608 -5.4590 -5.4590 -2.6534 -2.6534 -2.6212 -2.6212 -1.5328 -1.5328 -1.3771 -1.3771 -0.8111 -0.8111 -0.5276 -0.5276 -0.2671 -0.2671 -0.0829 -0.0829 5.9543 5.9543 6.0067 6.0067 6.5506 6.5506 6.5759 6.5759 k = 0.5000 0.4194 0.4233 ( 23332 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7448 -19.7448 -19.7448 -19.7448 -10.4798 -10.4798 -10.4797 -10.4797 -7.7017 -7.7017 -7.7013 -7.7013 -5.4576 -5.4575 -5.4557 -5.4557 -2.6485 -2.6485 -2.6154 -2.6154 -1.5265 -1.5265 -1.3633 -1.3633 -0.8106 -0.8106 -0.5143 -0.5143 -0.2616 -0.2616 -0.0722 -0.0722 5.9824 5.9824 6.0389 6.0389 6.5373 6.5373 6.5649 6.5649 k = 0.5000 0.4003 0.4233 ( 23324 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7450 -19.7450 -19.7450 -19.7450 -10.4850 -10.4850 -10.4848 -10.4848 -7.7003 -7.7003 -7.7000 -7.7000 -5.4542 -5.4542 -5.4524 -5.4524 -2.6438 -2.6438 -2.6099 -2.6099 -1.5197 -1.5197 -1.3506 -1.3506 -0.8071 -0.8071 -0.5002 -0.5002 -0.2553 -0.2553 -0.0613 -0.0613 6.0063 6.0063 6.0670 6.0670 6.5228 6.5228 6.5526 6.5526 k = 0.5000 0.3813 0.4233 ( 23326 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7453 -19.7453 -19.7453 -19.7453 -10.4902 -10.4902 -10.4900 -10.4900 -7.6990 -7.6990 -7.6986 -7.6986 -5.4507 -5.4507 -5.4490 -5.4490 -2.6392 -2.6392 -2.6049 -2.6049 -1.5124 -1.5124 -1.3394 -1.3394 -0.8003 -0.8003 -0.4853 -0.4853 -0.2481 -0.2481 -0.0503 -0.0503 6.0247 6.0247 6.0892 6.0892 6.5088 6.5088 6.5404 6.5404 k = 0.5000 0.3622 0.4233 ( 23312 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7455 -19.7455 -19.7455 -19.7455 -10.4955 -10.4955 -10.4953 -10.4953 -7.6976 -7.6976 -7.6973 -7.6973 -5.4472 -5.4472 -5.4454 -5.4454 -2.6349 -2.6349 -2.6004 -2.6004 -1.5048 -1.5048 -1.3300 -1.3300 -0.7900 -0.7900 -0.4697 -0.4697 -0.2399 -0.2399 -0.0392 -0.0392 6.0362 6.0362 6.1034 6.1034 6.4977 6.4977 6.5304 6.5304 k = 0.5000 0.3432 0.4233 ( 23306 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7458 -19.7458 -19.7458 -19.7458 -10.5008 -10.5008 -10.5006 -10.5006 -7.6963 -7.6963 -7.6959 -7.6959 -5.4436 -5.4436 -5.4419 -5.4419 -2.6308 -2.6308 -2.5965 -2.5965 -1.4970 -1.4970 -1.3226 -1.3226 -0.7764 -0.7764 -0.4536 -0.4536 -0.2307 -0.2307 -0.0279 -0.0279 6.0393 6.0393 6.1078 6.1078 6.4919 6.4919 6.5240 6.5240 k = 0.5000 0.3241 0.4233 ( 23316 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7460 -19.7460 -19.7460 -19.7460 -10.5061 -10.5061 -10.5059 -10.5059 -7.6949 -7.6949 -7.6946 -7.6946 -5.4400 -5.4400 -5.4383 -5.4383 -2.6270 -2.6270 -2.5931 -2.5931 -1.4890 -1.4890 -1.3172 -1.3172 -0.7596 -0.7596 -0.4372 -0.4372 -0.2203 -0.2203 -0.0165 -0.0165 6.0334 6.0334 6.1011 6.1011 6.4927 6.4927 6.5226 6.5226 k = 0.5000 0.3050 0.4233 ( 23320 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7463 -19.7463 -19.7463 -19.7463 -10.5113 -10.5113 -10.5112 -10.5112 -7.6936 -7.6936 -7.6933 -7.6933 -5.4364 -5.4364 -5.4347 -5.4347 -2.6235 -2.6235 -2.5903 -2.5903 -1.4811 -1.4811 -1.3138 -1.3138 -0.7398 -0.7398 -0.4209 -0.4209 -0.2084 -0.2084 -0.0050 -0.0050 6.0184 6.0184 6.0835 6.0835 6.5002 6.5002 6.5263 6.5263 k = 0.5000 0.2860 0.4233 ( 23308 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7465 -19.7465 -19.7465 -19.7465 -10.5165 -10.5165 -10.5163 -10.5163 -7.6924 -7.6924 -7.6921 -7.6921 -5.4328 -5.4328 -5.4312 -5.4312 -2.6204 -2.6204 -2.5881 -2.5881 -1.4732 -1.4732 -1.3121 -1.3121 -0.7174 -0.7174 -0.4052 -0.4052 -0.1948 -0.1948 0.0066 0.0066 5.9951 5.9951 6.0564 6.0564 6.5127 6.5127 6.5343 6.5343 k = 0.5000 0.2669 0.4233 ( 23328 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7467 -19.7467 -19.7467 -19.7467 -10.5215 -10.5215 -10.5213 -10.5213 -7.6912 -7.6912 -7.6909 -7.6909 -5.4292 -5.4292 -5.4277 -5.4277 -2.6175 -2.6175 -2.5864 -2.5864 -1.4655 -1.4655 -1.3121 -1.3121 -0.6929 -0.6929 -0.3904 -0.3904 -0.1793 -0.1793 0.0182 0.0182 5.9646 5.9646 6.0216 6.0216 6.5282 6.5282 6.5455 6.5455 k = 0.5000 0.2478 0.4233 ( 23338 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7470 -19.7470 -19.7470 -19.7470 -10.5263 -10.5263 -10.5262 -10.5262 -7.6900 -7.6900 -7.6898 -7.6898 -5.4258 -5.4258 -5.4243 -5.4243 -2.6149 -2.6149 -2.5852 -2.5852 -1.4580 -1.4580 -1.3135 -1.3135 -0.6669 -0.6669 -0.3770 -0.3770 -0.1619 -0.1619 0.0298 0.0298 5.9285 5.9285 5.9811 5.9811 6.5441 6.5441 6.5582 6.5582 k = 0.5000 0.2288 0.4233 ( 23362 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7472 -19.7472 -19.7472 -19.7472 -10.5310 -10.5309 -10.5308 -10.5308 -7.6889 -7.6889 -7.6887 -7.6887 -5.4225 -5.4225 -5.4210 -5.4210 -2.6125 -2.6125 -2.5845 -2.5845 -1.4507 -1.4507 -1.3160 -1.3160 -0.6400 -0.6400 -0.3653 -0.3653 -0.1425 -0.1425 0.0414 0.0414 5.8881 5.8881 5.9365 5.9365 6.5582 6.5582 6.5710 6.5710 k = 0.5000 0.2097 0.4233 ( 23358 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7474 -19.7474 -19.7474 -19.7474 -10.5353 -10.5353 -10.5352 -10.5352 -7.6879 -7.6879 -7.6877 -7.6877 -5.4193 -5.4193 -5.4179 -5.4179 -2.6104 -2.6104 -2.5842 -2.5842 -1.4438 -1.4438 -1.3195 -1.3195 -0.6125 -0.6125 -0.3555 -0.3555 -0.1214 -0.1214 0.0527 0.0527 5.8448 5.8448 5.8891 5.8891 6.5691 6.5691 6.5822 6.5822 k = 0.5000 0.1906 0.4233 ( 23366 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7476 -19.7476 -19.7476 -19.7476 -10.5395 -10.5395 -10.5394 -10.5394 -7.6869 -7.6869 -7.6867 -7.6867 -5.4163 -5.4163 -5.4150 -5.4150 -2.6085 -2.6085 -2.5843 -2.5843 -1.4371 -1.4371 -1.3237 -1.3237 -0.5852 -0.5852 -0.3478 -0.3478 -0.0989 -0.0989 0.0638 0.0638 5.7999 5.7999 5.8403 5.8403 6.5757 6.5757 6.5901 6.5901 k = 0.5000 0.1716 0.4233 ( 23364 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7478 -19.7478 -19.7478 -19.7478 -10.5433 -10.5433 -10.5432 -10.5432 -7.6861 -7.6861 -7.6859 -7.6859 -5.4135 -5.4135 -5.4122 -5.4122 -2.6068 -2.6068 -2.5846 -2.5846 -1.4306 -1.4306 -1.3285 -1.3285 -0.5584 -0.5584 -0.3420 -0.3420 -0.0755 -0.0755 0.0744 0.0744 5.7548 5.7548 5.7912 5.7912 6.5780 6.5780 6.5935 6.5935 k = 0.5000 0.1525 0.4233 ( 23354 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7480 -19.7480 -19.7480 -19.7480 -10.5468 -10.5468 -10.5467 -10.5467 -7.6852 -7.6852 -7.6851 -7.6851 -5.4109 -5.4109 -5.4097 -5.4097 -2.6053 -2.6053 -2.5853 -2.5853 -1.4244 -1.4244 -1.3336 -1.3336 -0.5325 -0.5325 -0.3381 -0.3381 -0.0519 -0.0519 0.0843 0.0843 5.7106 5.7106 5.7430 5.7430 6.5761 6.5761 6.5920 6.5920 k = 0.5000 0.1334 0.4233 ( 23372 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7481 -19.7481 -19.7481 -19.7481 -10.5499 -10.5499 -10.5498 -10.5498 -7.6845 -7.6845 -7.6844 -7.6844 -5.4085 -5.4085 -5.4074 -5.4074 -2.6038 -2.6038 -2.5861 -2.5861 -1.4184 -1.4184 -1.3390 -1.3390 -0.5080 -0.5080 -0.3359 -0.3359 -0.0286 -0.0286 0.0934 0.0934 5.6684 5.6684 5.6969 5.6969 6.5709 6.5709 6.5863 6.5863 k = 0.5000 0.1144 0.4233 ( 23384 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7483 -19.7483 -19.7483 -19.7483 -10.5527 -10.5527 -10.5526 -10.5526 -7.6839 -7.6839 -7.6837 -7.6837 -5.4065 -5.4065 -5.4054 -5.4054 -2.6025 -2.6025 -2.5871 -2.5871 -1.4126 -1.4126 -1.3446 -1.3446 -0.4851 -0.4851 -0.3354 -0.3354 -0.0063 -0.0063 0.1013 0.1013 5.6296 5.6296 5.6541 5.6541 6.5635 6.5635 6.5777 6.5777 k = 0.5000 0.0953 0.4233 ( 23392 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7484 -19.7484 -19.7484 -19.7484 -10.5551 -10.5551 -10.5550 -10.5550 -7.6834 -7.6834 -7.6832 -7.6832 -5.4047 -5.4047 -5.4037 -5.4037 -2.6012 -2.6011 -2.5883 -2.5883 -1.4069 -1.4069 -1.3502 -1.3502 -0.4641 -0.4641 -0.3365 -0.3365 0.0144 0.0144 0.1078 0.1078 5.5950 5.5950 5.6155 5.6155 6.5552 6.5552 6.5676 6.5676 k = 0.5000 0.0763 0.4233 ( 23398 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7485 -19.7485 -19.7485 -19.7485 -10.5570 -10.5570 -10.5570 -10.5570 -7.6829 -7.6829 -7.6828 -7.6828 -5.4032 -5.4032 -5.4023 -5.4023 -2.5999 -2.5999 -2.5895 -2.5895 -1.4014 -1.4014 -1.3559 -1.3559 -0.4452 -0.4452 -0.3388 -0.3388 0.0329 0.0330 0.1128 0.1128 5.5657 5.5657 5.5822 5.5822 6.5470 6.5470 6.5575 6.5575 k = 0.5000 0.0572 0.4233 ( 23394 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7486 -19.7486 -19.7486 -19.7486 -10.5586 -10.5586 -10.5585 -10.5585 -7.6826 -7.6826 -7.6824 -7.6824 -5.4020 -5.4020 -5.4011 -5.4011 -2.5986 -2.5986 -2.5908 -2.5908 -1.3959 -1.3959 -1.3615 -1.3615 -0.4289 -0.4289 -0.3423 -0.3423 0.0487 0.0487 0.1162 0.1162 5.5425 5.5425 5.5549 5.5549 6.5400 6.5400 6.5484 6.5484 k = 0.5000 0.0381 0.4233 ( 23396 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7486 -19.7486 -19.7486 -19.7486 -10.5597 -10.5597 -10.5597 -10.5597 -7.6823 -7.6823 -7.6822 -7.6822 -5.4012 -5.4012 -5.4003 -5.4003 -2.5974 -2.5974 -2.5921 -2.5921 -1.3906 -1.3906 -1.3671 -1.3671 -0.4156 -0.4156 -0.3463 -0.3463 0.0609 0.0609 0.1181 0.1181 5.5261 5.5261 5.5343 5.5343 6.5348 6.5348 6.5412 6.5412 k = 0.5000 0.0191 0.4233 ( 23404 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7486 -19.7486 -19.7486 -19.7486 -10.5603 -10.5603 -10.5603 -10.5603 -7.6822 -7.6822 -7.6821 -7.6821 -5.4006 -5.4006 -5.3998 -5.3998 -2.5962 -2.5962 -2.5933 -2.5933 -1.3856 -1.3856 -1.3722 -1.3722 -0.4065 -0.4065 -0.3499 -0.3499 0.0689 0.0689 0.1188 0.1188 5.5168 5.5168 5.5210 5.5210 6.5316 6.5316 6.5366 6.5366 k = 0.5000-0.0000 0.4233 ( 23400 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7487 -19.7487 -19.7487 -19.7487 -10.5606 -10.5606 -10.5606 -10.5606 -7.6821 -7.6821 -7.6820 -7.6820 -5.4005 -5.4005 -5.3997 -5.3997 -2.5954 -2.5954 -2.5942 -2.5942 -1.3826 -1.3826 -1.3752 -1.3752 -0.4031 -0.4031 -0.3515 -0.3515 0.0717 0.0717 0.1189 0.1189 5.5149 5.5149 5.5153 5.5153 6.5306 6.5306 6.5349 6.5349 k = 0.5000-0.0000 0.4233 ( 23400 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7487 -19.7487 -19.7487 -19.7487 -10.5606 -10.5606 -10.5606 -10.5606 -7.6821 -7.6821 -7.6820 -7.6820 -5.4005 -5.4005 -5.3997 -5.3997 -2.5954 -2.5954 -2.5942 -2.5942 -1.3826 -1.3826 -1.3752 -1.3752 -0.4031 -0.4031 -0.3515 -0.3515 0.0717 0.0717 0.1189 0.1189 5.5149 5.5149 5.5153 5.5153 6.5306 6.5306 6.5349 6.5349 k = 0.5000-0.0000 0.4041 ( 23402 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7487 -19.7487 -19.7487 -19.7487 -10.5605 -10.5605 -10.5605 -10.5605 -7.6823 -7.6823 -7.6822 -7.6822 -5.4004 -5.4004 -5.3996 -5.3996 -2.5953 -2.5953 -2.5941 -2.5941 -1.3821 -1.3821 -1.3746 -1.3746 -0.4032 -0.4032 -0.3515 -0.3515 0.0713 0.0713 0.1185 0.1185 5.5128 5.5128 5.5152 5.5152 6.5298 6.5298 6.5357 6.5357 k = 0.5000-0.0000 0.3848 ( 23396 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7487 -19.7487 -19.7487 -19.7487 -10.5604 -10.5604 -10.5604 -10.5604 -7.6827 -7.6827 -7.6826 -7.6826 -5.4004 -5.4004 -5.3996 -5.3996 -2.5953 -2.5953 -2.5941 -2.5941 -1.3804 -1.3804 -1.3729 -1.3729 -0.4034 -0.4034 -0.3517 -0.3517 0.0701 0.0701 0.1174 0.1174 5.5084 5.5084 5.5130 5.5130 6.5280 6.5280 6.5371 6.5371 k = 0.5000-0.0000 0.3656 ( 23404 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7487 -19.7487 -19.7487 -19.7487 -10.5601 -10.5601 -10.5601 -10.5601 -7.6835 -7.6835 -7.6834 -7.6834 -5.4002 -5.4002 -5.3994 -5.3994 -2.5952 -2.5952 -2.5939 -2.5939 -1.3777 -1.3777 -1.3701 -1.3701 -0.4038 -0.4038 -0.3520 -0.3520 0.0681 0.0681 0.1156 0.1156 5.5021 5.5021 5.5088 5.5088 6.5258 6.5258 6.5381 6.5381 k = 0.5000-0.0000 0.3463 ( 23384 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7487 -19.7487 -19.7487 -19.7487 -10.5598 -10.5598 -10.5598 -10.5598 -7.6846 -7.6846 -7.6845 -7.6845 -5.4001 -5.4001 -5.3993 -5.3993 -2.5951 -2.5951 -2.5938 -2.5938 -1.3739 -1.3739 -1.3662 -1.3662 -0.4043 -0.4043 -0.3524 -0.3524 0.0655 0.0655 0.1130 0.1130 5.4941 5.4941 5.5027 5.5027 6.5230 6.5231 6.5383 6.5383 k = 0.5000-0.0000 0.3271 ( 23382 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7487 -19.7487 -19.7487 -19.7487 -10.5593 -10.5593 -10.5593 -10.5593 -7.6860 -7.6860 -7.6858 -7.6858 -5.3999 -5.3999 -5.3990 -5.3990 -2.5949 -2.5949 -2.5936 -2.5936 -1.3692 -1.3692 -1.3613 -1.3613 -0.4050 -0.4050 -0.3529 -0.3529 0.0621 0.0621 0.1098 0.1098 5.4847 5.4847 5.4950 5.4950 6.5194 6.5194 6.5372 6.5372 k = 0.5000-0.0000 0.3079 ( 23380 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7487 -19.7487 -19.7487 -19.7487 -10.5588 -10.5588 -10.5588 -10.5588 -7.6876 -7.6876 -7.6874 -7.6874 -5.3996 -5.3996 -5.3988 -5.3988 -2.5947 -2.5947 -2.5933 -2.5933 -1.3635 -1.3635 -1.3555 -1.3555 -0.4058 -0.4058 -0.3535 -0.3535 0.0581 0.0581 0.1060 0.1060 5.4743 5.4743 5.4860 5.4860 6.5147 6.5147 6.5344 6.5344 k = 0.5000-0.0000 0.2886 ( 23374 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7487 -19.7487 -19.7487 -19.7487 -10.5582 -10.5582 -10.5582 -10.5582 -7.6894 -7.6894 -7.6892 -7.6892 -5.3993 -5.3993 -5.3985 -5.3985 -2.5945 -2.5945 -2.5931 -2.5931 -1.3571 -1.3571 -1.3489 -1.3489 -0.4067 -0.4067 -0.3543 -0.3543 0.0536 0.0536 0.1016 0.1016 5.4632 5.4632 5.4761 5.4761 6.5086 6.5086 6.5295 6.5295 k = 0.5000-0.0000 0.2694 ( 23360 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7487 -19.7487 -19.7487 -19.7487 -10.5576 -10.5576 -10.5576 -10.5576 -7.6914 -7.6914 -7.6912 -7.6912 -5.3990 -5.3990 -5.3982 -5.3982 -2.5943 -2.5943 -2.5928 -2.5928 -1.3499 -1.3499 -1.3417 -1.3417 -0.4076 -0.4076 -0.3552 -0.3552 0.0486 0.0486 0.0967 0.0967 5.4518 5.4518 5.4655 5.4655 6.5009 6.5009 6.5226 6.5226 k = 0.5000-0.0000 0.2501 ( 23356 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7487 -19.7487 -19.7487 -19.7487 -10.5569 -10.5569 -10.5569 -10.5569 -7.6935 -7.6935 -7.6933 -7.6933 -5.3987 -5.3987 -5.3978 -5.3978 -2.5940 -2.5940 -2.5925 -2.5925 -1.3422 -1.3422 -1.3339 -1.3339 -0.4086 -0.4086 -0.3561 -0.3561 0.0432 0.0432 0.0915 0.0915 5.4404 5.4404 5.4546 5.4546 6.4918 6.4918 6.5136 6.5136 k = 0.5000-0.0000 0.2309 ( 23358 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7487 -19.7487 -19.7487 -19.7487 -10.5562 -10.5562 -10.5562 -10.5562 -7.6957 -7.6957 -7.6955 -7.6955 -5.3983 -5.3983 -5.3975 -5.3975 -2.5938 -2.5938 -2.5922 -2.5922 -1.3340 -1.3340 -1.3256 -1.3256 -0.4097 -0.4097 -0.3572 -0.3572 0.0376 0.0376 0.0859 0.0859 5.4292 5.4292 5.4437 5.4437 6.4813 6.4813 6.5028 6.5028 k = 0.5000-0.0000 0.2117 ( 23366 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7487 -19.7487 -19.7487 -19.7487 -10.5555 -10.5555 -10.5555 -10.5555 -7.6979 -7.6979 -7.6977 -7.6977 -5.3979 -5.3979 -5.3972 -5.3972 -2.5935 -2.5935 -2.5920 -2.5920 -1.3256 -1.3256 -1.3172 -1.3172 -0.4107 -0.4107 -0.3584 -0.3584 0.0317 0.0317 0.0801 0.0801 5.4186 5.4186 5.4331 5.4331 6.4697 6.4697 6.4905 6.4905 k = 0.5000-0.0000 0.1924 ( 23366 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7487 -19.7487 -19.7487 -19.7487 -10.5548 -10.5548 -10.5548 -10.5548 -7.7002 -7.7002 -7.7000 -7.7000 -5.3975 -5.3975 -5.3968 -5.3968 -2.5932 -2.5932 -2.5917 -2.5917 -1.3170 -1.3170 -1.3087 -1.3087 -0.4117 -0.4117 -0.3596 -0.3596 0.0259 0.0259 0.0742 0.0742 5.4086 5.4086 5.4228 5.4228 6.4572 6.4572 6.4770 6.4770 k = 0.5000-0.0000 0.1732 ( 23370 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7487 -19.7487 -19.7487 -19.7487 -10.5541 -10.5541 -10.5541 -10.5541 -7.7024 -7.7024 -7.7022 -7.7022 -5.3972 -5.3972 -5.3965 -5.3965 -2.5929 -2.5929 -2.5914 -2.5914 -1.3084 -1.3084 -1.3003 -1.3003 -0.4127 -0.4127 -0.3609 -0.3609 0.0202 0.0202 0.0684 0.0684 5.3995 5.3995 5.4132 5.4132 6.4444 6.4444 6.4629 6.4629 k = 0.5000-0.0000 0.1539 ( 23374 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7487 -19.7487 -19.7487 -19.7487 -10.5534 -10.5534 -10.5534 -10.5534 -7.7045 -7.7045 -7.7043 -7.7043 -5.3968 -5.3968 -5.3962 -5.3962 -2.5927 -2.5927 -2.5912 -2.5912 -1.3001 -1.3001 -1.2922 -1.2922 -0.4136 -0.4136 -0.3623 -0.3623 0.0146 0.0146 0.0626 0.0626 5.3914 5.3914 5.4043 5.4043 6.4316 6.4316 6.4486 6.4486 k = 0.5000-0.0000 0.1347 ( 23372 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7487 -19.7487 -19.7487 -19.7487 -10.5527 -10.5527 -10.5527 -10.5527 -7.7064 -7.7064 -7.7062 -7.7062 -5.3965 -5.3965 -5.3959 -5.3959 -2.5924 -2.5924 -2.5910 -2.5910 -1.2922 -1.2922 -1.2846 -1.2846 -0.4145 -0.4145 -0.3636 -0.3636 0.0094 0.0094 0.0572 0.0572 5.3844 5.3844 5.3962 5.3962 6.4193 6.4193 6.4345 6.4345 k = 0.5000-0.0000 0.1154 ( 23362 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7487 -19.7487 -19.7487 -19.7487 -10.5522 -10.5522 -10.5522 -10.5522 -7.7082 -7.7082 -7.7080 -7.7080 -5.3962 -5.3962 -5.3956 -5.3956 -2.5922 -2.5922 -2.5908 -2.5908 -1.2849 -1.2849 -1.2776 -1.2776 -0.4152 -0.4152 -0.3649 -0.3649 0.0046 0.0046 0.0521 0.0521 5.3784 5.3784 5.3890 5.3890 6.4078 6.4078 6.4211 6.4211 k = 0.5000-0.0000 0.0962 ( 23344 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7487 -19.7487 -19.7487 -19.7487 -10.5516 -10.5516 -10.5516 -10.5516 -7.7098 -7.7098 -7.7096 -7.7096 -5.3959 -5.3959 -5.3954 -5.3954 -2.5920 -2.5920 -2.5906 -2.5906 -1.2783 -1.2783 -1.2714 -1.2714 -0.4158 -0.4158 -0.3662 -0.3662 0.0004 0.0004 0.0476 0.0476 5.3736 5.3736 5.3827 5.3827 6.3975 6.3975 6.4089 6.4089 k = 0.5000-0.0000 0.0770 ( 23338 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7487 -19.7487 -19.7487 -19.7487 -10.5512 -10.5512 -10.5512 -10.5512 -7.7112 -7.7112 -7.7110 -7.7110 -5.3956 -5.3956 -5.3952 -5.3952 -2.5918 -2.5918 -2.5905 -2.5905 -1.2726 -1.2726 -1.2661 -1.2661 -0.4163 -0.4163 -0.3673 -0.3673 -0.0032 -0.0032 0.0436 0.0436 5.3698 5.3698 5.3774 5.3774 6.3888 6.3888 6.3981 6.3981 k = 0.5000-0.0000 0.0577 ( 23314 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7487 -19.7487 -19.7487 -19.7487 -10.5509 -10.5509 -10.5509 -10.5509 -7.7122 -7.7122 -7.7120 -7.7120 -5.3954 -5.3954 -5.3951 -5.3951 -2.5917 -2.5917 -2.5904 -2.5904 -1.2680 -1.2680 -1.2619 -1.2619 -0.4167 -0.4167 -0.3682 -0.3682 -0.0060 -0.0060 0.0405 0.0405 5.3672 5.3672 5.3730 5.3730 6.3820 6.3820 6.3890 6.3891 k = 0.5000-0.0000 0.0385 ( 23308 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7487 -19.7487 -19.7487 -19.7487 -10.5506 -10.5506 -10.5506 -10.5506 -7.7130 -7.7130 -7.7128 -7.7128 -5.3953 -5.3953 -5.3950 -5.3950 -2.5916 -2.5916 -2.5903 -2.5903 -1.2646 -1.2646 -1.2589 -1.2589 -0.4170 -0.4170 -0.3689 -0.3689 -0.0081 -0.0081 0.0382 0.0382 5.3656 5.3656 5.3697 5.3697 6.3773 6.3773 6.3821 6.3821 k = 0.5000-0.0000 0.0192 ( 23306 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7487 -19.7487 -19.7487 -19.7487 -10.5504 -10.5504 -10.5504 -10.5504 -7.7135 -7.7135 -7.7133 -7.7133 -5.3952 -5.3952 -5.3950 -5.3950 -2.5915 -2.5915 -2.5903 -2.5903 -1.2625 -1.2625 -1.2570 -1.2570 -0.4171 -0.4171 -0.3694 -0.3694 -0.0094 -0.0094 0.0367 0.0367 5.3649 5.3649 5.3673 5.3673 6.3749 6.3749 6.3774 6.3774 k = 0.5000-0.0000-0.0000 ( 23294 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7487 -19.7487 -19.7487 -19.7487 -10.5504 -10.5504 -10.5504 -10.5504 -7.7137 -7.7137 -7.7135 -7.7135 -5.3951 -5.3951 -5.3950 -5.3950 -2.5915 -2.5915 -2.5903 -2.5903 -1.2618 -1.2618 -1.2564 -1.2564 -0.4172 -0.4172 -0.3695 -0.3695 -0.0098 -0.0098 0.0363 0.0363 5.3650 5.3650 5.3663 5.3663 6.3746 6.3746 6.3753 6.3753 k = 0.0000 0.0000 0.4233 ( 23332 PWs) bands (ev): -43.8443 -43.8443 -43.8441 -43.8441 -19.7773 -19.7773 -19.7202 -19.7202 -10.6408 -10.6408 -10.4774 -10.4774 -7.6949 -7.6949 -7.6647 -7.6647 -5.4110 -5.4110 -5.3739 -5.3739 -2.8525 -2.8525 -2.4999 -2.4999 -1.3552 -1.3552 -0.9809 -0.9809 -0.6367 -0.6367 -0.2292 -0.2292 -0.0923 -0.0923 0.2561 0.2561 5.1428 5.1428 5.3298 5.3298 5.9409 5.9409 6.8422 6.8422 k = 0.0192-0.0000 0.4233 ( 23342 PWs) bands (ev): -43.8443 -43.8443 -43.8441 -43.8441 -19.7772 -19.7772 -19.7203 -19.7203 -10.6406 -10.6406 -10.4776 -10.4776 -7.6948 -7.6948 -7.6647 -7.6647 -5.4110 -5.4110 -5.3740 -5.3739 -2.8522 -2.8520 -2.4998 -2.4996 -1.3562 -1.3550 -0.9852 -0.9812 -0.6367 -0.6328 -0.2346 -0.2255 -0.0960 -0.0865 0.2550 0.2559 5.1429 5.1431 5.3318 5.3319 5.9429 5.9430 6.8425 6.8435 k = 0.0385-0.0000 0.4233 ( 23346 PWs) bands (ev): -43.8443 -43.8443 -43.8441 -43.8441 -19.7770 -19.7770 -19.7204 -19.7204 -10.6402 -10.6402 -10.4780 -10.4780 -7.6948 -7.6948 -7.6648 -7.6648 -5.4110 -5.4109 -5.3742 -5.3741 -2.8510 -2.8507 -2.4992 -2.4987 -1.3581 -1.3557 -0.9938 -0.9861 -0.6328 -0.6253 -0.2411 -0.2236 -0.0973 -0.0791 0.2527 0.2545 5.1436 5.1439 5.3380 5.3382 5.9490 5.9491 6.8444 6.8463 k = 0.0577-0.0000 0.4233 ( 23350 PWs) bands (ev): -43.8443 -43.8443 -43.8441 -43.8441 -19.7768 -19.7768 -19.7207 -19.7207 -10.6395 -10.6395 -10.4788 -10.4788 -7.6947 -7.6947 -7.6650 -7.6650 -5.4110 -5.4109 -5.3745 -5.3744 -2.8490 -2.8485 -2.4981 -2.4973 -1.3608 -1.3572 -1.0060 -0.9950 -0.6255 -0.6149 -0.2484 -0.2238 -0.0961 -0.0704 0.2493 0.2519 5.1447 5.1452 5.3482 5.3485 5.9590 5.9592 6.8469 6.8495 k = 0.0769-0.0000 0.4233 ( 23346 PWs) bands (ev): -43.8443 -43.8443 -43.8441 -43.8441 -19.7764 -19.7764 -19.7211 -19.7211 -10.6385 -10.6385 -10.4799 -10.4799 -7.6946 -7.6946 -7.6652 -7.6652 -5.4110 -5.4108 -5.3750 -5.3748 -2.8461 -2.8454 -2.4965 -2.4956 -1.3643 -1.3598 -1.0208 -1.0073 -0.6156 -0.6022 -0.2562 -0.2261 -0.0924 -0.0607 0.2447 0.2483 5.1464 5.1471 5.3622 5.3626 5.9731 5.9733 6.8481 6.8502 k = 0.0962-0.0000 0.4233 ( 23352 PWs) bands (ev): -43.8443 -43.8443 -43.8441 -43.8441 -19.7760 -19.7760 -19.7215 -19.7215 -10.6372 -10.6372 -10.4812 -10.4812 -7.6945 -7.6944 -7.6655 -7.6655 -5.4109 -5.4107 -5.3756 -5.3753 -2.8424 -2.8416 -2.4947 -2.4935 -1.3687 -1.3633 -1.0374 -1.0219 -0.6039 -0.5881 -0.2643 -0.2300 -0.0867 -0.0503 0.2391 0.2437 5.1487 5.1496 5.3797 5.3803 5.9910 5.9913 6.8450 6.8457 k = 0.1154-0.0000 0.4233 ( 23338 PWs) bands (ev): -43.8443 -43.8443 -43.8441 -43.8441 -19.7754 -19.7754 -19.7221 -19.7221 -10.6357 -10.6357 -10.4829 -10.4829 -7.6943 -7.6942 -7.6659 -7.6658 -5.4108 -5.4106 -5.3763 -5.3760 -2.8378 -2.8369 -2.4926 -2.4911 -1.3739 -1.3679 -1.0550 -1.0381 -0.5911 -0.5730 -0.2725 -0.2353 -0.0793 -0.0395 0.2325 0.2383 5.1518 5.1528 5.4004 5.4011 6.0127 6.0131 6.8379 6.8382 k = 0.1346-0.0000 0.4233 ( 23344 PWs) bands (ev): -43.8443 -43.8443 -43.8441 -43.8441 -19.7747 -19.7747 -19.7227 -19.7227 -10.6339 -10.6339 -10.4848 -10.4848 -7.6941 -7.6940 -7.6663 -7.6663 -5.4107 -5.4105 -5.3771 -5.3767 -2.8324 -2.8313 -2.4903 -2.4887 -1.3799 -1.3736 -1.0730 -1.0552 -0.5778 -0.5577 -0.2806 -0.2414 -0.0708 -0.0285 0.2252 0.2322 5.1556 5.1568 5.4237 5.4245 6.0380 6.0385 6.8291 6.8298 k = 0.1538-0.0000 0.4233 ( 23350 PWs) bands (ev): -43.8443 -43.8443 -43.8442 -43.8442 -19.7740 -19.7740 -19.7235 -19.7235 -10.6318 -10.6318 -10.4870 -10.4870 -7.6938 -7.6937 -7.6668 -7.6667 -5.4106 -5.4103 -5.3780 -5.3776 -2.8261 -2.8249 -2.4881 -2.4862 -1.3867 -1.3803 -1.0910 -1.0727 -0.5645 -0.5423 -0.2886 -0.2481 -0.0616 -0.0175 0.2173 0.2257 5.1604 5.1617 5.4492 5.4502 6.0666 6.0673 6.8204 6.8212 k = 0.1731-0.0000 0.4233 ( 23362 PWs) bands (ev): -43.8443 -43.8443 -43.8442 -43.8442 -19.7731 -19.7731 -19.7243 -19.7243 -10.6294 -10.6294 -10.4895 -10.4895 -7.6935 -7.6934 -7.6673 -7.6673 -5.4104 -5.4101 -5.3790 -5.3785 -2.8190 -2.8177 -2.4860 -2.4840 -1.3941 -1.3878 -1.1086 -1.0901 -0.5516 -0.5271 -0.2962 -0.2551 -0.0520 -0.0066 0.2088 0.2188 5.1662 5.1677 5.4763 5.4774 6.0984 6.0992 6.8127 6.8134 k = 0.1923-0.0000 0.4233 ( 23360 PWs) bands (ev): -43.8443 -43.8443 -43.8442 -43.8442 -19.7722 -19.7722 -19.7252 -19.7252 -10.6268 -10.6268 -10.4923 -10.4923 -7.6932 -7.6931 -7.6679 -7.6679 -5.4102 -5.4099 -5.3800 -5.3796 -2.8110 -2.8097 -2.4843 -2.4820 -1.4020 -1.3961 -1.1257 -1.1074 -0.5392 -0.5124 -0.3035 -0.2621 -0.0424 0.0040 0.2000 0.2117 5.1732 5.1748 5.5043 5.5055 6.1329 6.1339 6.8065 6.8070 k = 0.2115-0.0000 0.4233 ( 23366 PWs) bands (ev): -43.8443 -43.8443 -43.8442 -43.8442 -19.7712 -19.7712 -19.7263 -19.7263 -10.6240 -10.6240 -10.4953 -10.4953 -7.6928 -7.6927 -7.6685 -7.6685 -5.4100 -5.4096 -5.3812 -5.3807 -2.8021 -2.8008 -2.4830 -2.4806 -1.4100 -1.4047 -1.1423 -1.1243 -0.5275 -0.4982 -0.3103 -0.2691 -0.0328 0.0142 0.1910 0.2046 5.1816 5.1832 5.5325 5.5338 6.1696 6.1708 6.8024 6.8025 k = 0.2308-0.0000 0.4233 ( 23364 PWs) bands (ev): -43.8443 -43.8443 -43.8442 -43.8442 -19.7700 -19.7700 -19.7274 -19.7274 -10.6209 -10.6209 -10.4985 -10.4985 -7.6924 -7.6923 -7.6692 -7.6692 -5.4097 -5.4093 -5.3824 -5.3818 -2.7924 -2.7911 -2.4824 -2.4798 -1.4178 -1.4134 -1.1583 -1.1410 -0.5167 -0.4846 -0.3168 -0.2757 -0.0236 0.0238 0.1819 0.1977 5.1915 5.1931 5.5599 5.5613 6.2079 6.2093 6.8005 6.8008 k = 0.2500-0.0000 0.4233 ( 23378 PWs) bands (ev): -43.8443 -43.8443 -43.8442 -43.8442 -19.7689 -19.7689 -19.7285 -19.7285 -10.6176 -10.6176 -10.5020 -10.5020 -7.6919 -7.6918 -7.6700 -7.6699 -5.4094 -5.4090 -5.3837 -5.3831 -2.7820 -2.7807 -2.4826 -2.4799 -1.4252 -1.4217 -1.1740 -1.1574 -0.5067 -0.4717 -0.3228 -0.2821 -0.0149 0.0328 0.1729 0.1910 5.2029 5.2046 5.5859 5.5874 6.2471 6.2487 6.8015 6.8024 k = 0.2692-0.0000 0.4233 ( 23376 PWs) bands (ev): -43.8443 -43.8443 -43.8442 -43.8442 -19.7676 -19.7676 -19.7298 -19.7298 -10.6141 -10.6141 -10.5057 -10.5057 -7.6914 -7.6913 -7.6708 -7.6707 -5.4091 -5.4086 -5.3850 -5.3843 -2.7707 -2.7695 -2.4838 -2.4810 -1.4317 -1.4293 -1.1895 -1.1737 -0.4974 -0.4595 -0.3284 -0.2880 -0.0066 0.0412 0.1640 0.1847 5.2162 5.2178 5.6094 5.6109 6.2862 6.2881 6.8061 6.8074 k = 0.2885-0.0000 0.4233 ( 23382 PWs) bands (ev): -43.8443 -43.8443 -43.8442 -43.8442 -19.7663 -19.7663 -19.7311 -19.7311 -10.6104 -10.6104 -10.5096 -10.5096 -7.6908 -7.6908 -7.6716 -7.6716 -5.4087 -5.4081 -5.3863 -5.3856 -2.7587 -2.7575 -2.4862 -2.4833 -1.4371 -1.4357 -1.2050 -1.1900 -0.4887 -0.4479 -0.3337 -0.2936 0.0011 0.0490 0.1553 0.1787 5.2313 5.2329 5.6295 5.6311 6.3242 6.3264 6.8094 6.8113 k = 0.3077-0.0000 0.4233 ( 23392 PWs) bands (ev): -43.8443 -43.8443 -43.8442 -43.8442 -19.7649 -19.7649 -19.7325 -19.7325 -10.6066 -10.6066 -10.5136 -10.5136 -7.6902 -7.6902 -7.6725 -7.6724 -5.4082 -5.4077 -5.3877 -5.3870 -2.7459 -2.7449 -2.4898 -2.4869 -1.4410 -1.4407 -1.2206 -1.2065 -0.4805 -0.4369 -0.3389 -0.2988 0.0082 0.0562 0.1468 0.1731 5.2483 5.2499 5.6454 5.6471 6.3601 6.3624 6.7673 6.7710 k = 0.3269-0.0000 0.4233 ( 23392 PWs) bands (ev): -43.8443 -43.8443 -43.8442 -43.8442 -19.7634 -19.7634 -19.7339 -19.7339 -10.6025 -10.6025 -10.5178 -10.5178 -7.6896 -7.6895 -7.6734 -7.6733 -5.4077 -5.4071 -5.3890 -5.3883 -2.7325 -2.7316 -2.4947 -2.4919 -1.4439 -1.4432 -1.2365 -1.2232 -0.4727 -0.4265 -0.3441 -0.3038 0.0149 0.0630 0.1386 0.1678 5.2674 5.2688 5.6562 5.6579 6.3928 6.3953 6.7239 6.7286 k = 0.3462-0.0000 0.4233 ( 23378 PWs) bands (ev): -43.8443 -43.8443 -43.8442 -43.8442 -19.7619 -19.7619 -19.7354 -19.7354 -10.5983 -10.5983 -10.5222 -10.5222 -7.6889 -7.6888 -7.6743 -7.6742 -5.4072 -5.4065 -5.3904 -5.3897 -2.7184 -2.7177 -2.5011 -2.4983 -1.4451 -1.4434 -1.2526 -1.2401 -0.4651 -0.4166 -0.3494 -0.3085 0.0213 0.0694 0.1306 0.1626 5.2885 5.2898 5.6614 5.6631 6.4216 6.4242 6.6840 6.6893 k = 0.3654-0.0000 0.4233 ( 23376 PWs) bands (ev): -43.8443 -43.8443 -43.8442 -43.8442 -19.7604 -19.7604 -19.7370 -19.7370 -10.5939 -10.5939 -10.5267 -10.5267 -7.6882 -7.6881 -7.6752 -7.6752 -5.4065 -5.4059 -5.3918 -5.3910 -2.7038 -2.7033 -2.5088 -2.5061 -1.4442 -1.4417 -1.2690 -1.2572 -0.4576 -0.4071 -0.3549 -0.3132 0.0274 0.0757 0.1228 0.1576 5.3116 5.3128 5.6604 5.6621 6.4460 6.4488 6.6490 6.6546 k = 0.3846-0.0000 0.4233 ( 23378 PWs) bands (ev): -43.8443 -43.8443 -43.8442 -43.8442 -19.7588 -19.7588 -19.7386 -19.7386 -10.5894 -10.5894 -10.5314 -10.5314 -7.6874 -7.6873 -7.6762 -7.6761 -5.4059 -5.4052 -5.3931 -5.3923 -2.6887 -2.6884 -2.5179 -2.5153 -1.4412 -1.4378 -1.2857 -1.2746 -0.4501 -0.3981 -0.3607 -0.3179 0.0334 0.0818 0.1152 0.1525 5.3367 5.3376 5.6534 5.6550 6.4661 6.4691 6.6194 6.6251 k = 0.4038-0.0000 0.4233 ( 23380 PWs) bands (ev): -43.8443 -43.8443 -43.8442 -43.8442 -19.7571 -19.7571 -19.7402 -19.7402 -10.5848 -10.5848 -10.5361 -10.5361 -7.6866 -7.6865 -7.6772 -7.6771 -5.4051 -5.4044 -5.3944 -5.3936 -2.6732 -2.6731 -2.5283 -2.5259 -1.4360 -1.4319 -1.3025 -1.2920 -0.4424 -0.3894 -0.3669 -0.3227 0.0394 0.0879 0.1077 0.1474 5.3636 5.3643 5.6405 5.6420 6.4824 6.4855 6.5951 6.6008 k = 0.4231-0.0000 0.4233 ( 23386 PWs) bands (ev): -43.8443 -43.8443 -43.8442 -43.8442 -19.7555 -19.7555 -19.7418 -19.7418 -10.5801 -10.5801 -10.5409 -10.5409 -7.6858 -7.6857 -7.6782 -7.6781 -5.4043 -5.4036 -5.3957 -5.3949 -2.6576 -2.6575 -2.5399 -2.5377 -1.4288 -1.4239 -1.3193 -1.3095 -0.4347 -0.3812 -0.3735 -0.3277 0.0455 0.0940 0.1003 0.1421 5.3921 5.3926 5.6223 5.6237 6.4955 6.4988 6.5757 6.5812 k = 0.4423-0.0000 0.4233 ( 23402 PWs) bands (ev): -43.8443 -43.8443 -43.8442 -43.8442 -19.7538 -19.7538 -19.7435 -19.7435 -10.5753 -10.5753 -10.5458 -10.5458 -7.6849 -7.6848 -7.6792 -7.6791 -5.4034 -5.4027 -5.3970 -5.3962 -2.6419 -2.6416 -2.5526 -2.5506 -1.4197 -1.4141 -1.3359 -1.3267 -0.4269 -0.3804 -0.3732 -0.3331 0.0517 0.0930 0.1002 0.1366 5.4220 5.4222 5.5997 5.6009 6.5062 6.5096 6.5605 6.5657 k = 0.4615-0.0000 0.4233 ( 23398 PWs) bands (ev): -43.8443 -43.8443 -43.8442 -43.8442 -19.7521 -19.7521 -19.7452 -19.7452 -10.5704 -10.5704 -10.5507 -10.5507 -7.6840 -7.6839 -7.6802 -7.6801 -5.4025 -5.4017 -5.3982 -5.3974 -2.6263 -2.6256 -2.5662 -2.5644 -1.4088 -1.4026 -1.3521 -1.3436 -0.4190 -0.3877 -0.3656 -0.3388 0.0582 0.0858 0.1065 0.1309 5.4528 5.4528 5.5737 5.5746 6.5151 6.5188 6.5485 6.5535 k = 0.4808-0.0000 0.4233 ( 23404 PWs) bands (ev): -43.8443 -43.8443 -43.8442 -43.8442 -19.7504 -19.7504 -19.7469 -19.7469 -10.5655 -10.5655 -10.5556 -10.5556 -7.6831 -7.6830 -7.6811 -7.6810 -5.4015 -5.4007 -5.3994 -5.3986 -2.6107 -2.6098 -2.5805 -2.5790 -1.3964 -1.3895 -1.3678 -1.3598 -0.4110 -0.3953 -0.3583 -0.3450 0.0648 0.0787 0.1127 0.1250 5.4839 5.4841 5.5451 5.5458 6.5229 6.5270 6.5388 6.5435 k = 0.5000-0.0000 0.4233 ( 23400 PWs) bands (ev): -43.8442 -43.8442 -43.8442 -43.8442 -19.7487 -19.7487 -19.7487 -19.7487 -10.5606 -10.5606 -10.5606 -10.5606 -7.6821 -7.6821 -7.6820 -7.6820 -5.4005 -5.4005 -5.3997 -5.3997 -2.5954 -2.5954 -2.5942 -2.5942 -1.3826 -1.3826 -1.3752 -1.3752 -0.4031 -0.4031 -0.3515 -0.3515 0.0717 0.0717 0.1189 0.1189 5.5149 5.5149 5.5153 5.5153 6.5306 6.5306 6.5349 6.5349 Writing output data file LiH3IN.save init_run : 1.70s CPU 1.22s WALL ( 1 calls) electrons : 404.97s CPU 301.68s WALL ( 1 calls) Called by init_run: wfcinit : 0.03s CPU 0.05s WALL ( 1 calls) potinit : 0.04s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 404.97s CPU 301.67s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.37s CPU 0.23s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.60s CPU 0.64s WALL ( 245 calls) cegterg : 319.13s CPU 250.59s WALL ( 330 calls) Called by sum_band: Called by *egterg: h_psi : 292.24s CPU 198.31s WALL ( 5445 calls) s_psi : 10.75s CPU 8.62s WALL ( 5445 calls) g_psi : 0.79s CPU 0.78s WALL ( 4870 calls) cdiaghg : 34.71s CPU 33.90s WALL ( 5115 calls) cegterg:over : 15.70s CPU 15.47s WALL ( 4870 calls) cegterg:upda : 17.20s CPU 16.55s WALL ( 4870 calls) cegterg:last : 8.46s CPU 8.56s WALL ( 820 calls) cdiaghg:chol : 2.04s CPU 2.01s WALL ( 5115 calls) cdiaghg:inve : 1.19s CPU 1.08s WALL ( 5115 calls) cdiaghg:para : 2.00s CPU 1.90s WALL ( 10230 calls) Called by h_psi: h_psi:vloc : 266.42s CPU 177.04s WALL ( 5445 calls) h_psi:vnl : 24.83s CPU 20.40s WALL ( 5445 calls) add_vuspsi : 12.01s CPU 9.78s WALL ( 5445 calls) General routines calbec : 12.77s CPU 10.60s WALL ( 5445 calls) fft : 0.08s CPU 0.07s WALL ( 15 calls) fftw : 253.78s CPU 167.06s WALL ( 492292 calls) davcio : 0.57s CPU 3.24s WALL ( 490 calls) Parallel routines fft_scatter : 73.66s CPU 58.39s WALL ( 492307 calls) PWSCF : 7m36.51s CPU 6m13.56s WALL This run was terminated on: 2:45:55 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=