Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:12:10 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors 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: ./PH2NO2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 110 64 18 3189 1404 220 Max 111 65 20 3193 1421 221 Sum 3995 2333 677 114853 50785 7937 bravais-lattice index = 14 lattice parameter (alat) = 12.9851 a.u. unit-cell volume = 1166.0277 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 4 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.985106 celldm(2)= 1.000000 celldm(3)= 0.579210 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.393168 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.393168 0.919467 0.000000 ) a(3) = ( 0.000000 0.000000 0.579210 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.427604 -0.000000 ) b(2) = ( 0.000000 1.087587 -0.000000 ) b(3) = ( 0.000000 0.000000 1.726488 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for 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 PseudoPot. # 4 for P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 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 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) H 1.00 1.00790 H( 1.00) N 5.00 14.00670 N( 1.00) P 5.00 30.97380 P( 1.00) 2 Sym. Ops., with inversion, found (note: 2 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 346 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 2) = ( 0.0119631 0.0181264 -0.0000000), wk = 0.0028902 k( 3) = ( 0.0239263 0.0362529 -0.0000000), wk = 0.0028902 k( 4) = ( 0.0358894 0.0543793 -0.0000000), wk = 0.0028902 k( 5) = ( 0.0478526 0.0725058 -0.0000000), wk = 0.0028902 k( 6) = ( 0.0598157 0.0906323 -0.0000000), wk = 0.0028902 k( 7) = ( 0.0717789 0.1087587 -0.0000000), wk = 0.0028902 k( 8) = ( 0.0837420 0.1268852 -0.0000000), wk = 0.0028902 k( 9) = ( 0.0957051 0.1450116 -0.0000000), wk = 0.0028902 k( 10) = ( 0.1076683 0.1631381 -0.0000000), wk = 0.0028902 k( 11) = ( 0.1196314 0.1812645 -0.0000000), wk = 0.0028902 k( 12) = ( 0.1315946 0.1993910 -0.0000000), wk = 0.0028902 k( 13) = ( 0.1435577 0.2175174 -0.0000000), wk = 0.0028902 k( 14) = ( 0.1555208 0.2356439 -0.0000000), wk = 0.0028902 k( 15) = ( 0.1674840 0.2537703 -0.0000000), wk = 0.0028902 k( 16) = ( 0.1794471 0.2718968 -0.0000000), wk = 0.0028902 k( 17) = ( 0.1914103 0.2900232 -0.0000000), wk = 0.0028902 k( 18) = ( 0.2033734 0.3081497 -0.0000000), wk = 0.0028902 k( 19) = ( 0.2153365 0.3262761 -0.0000000), wk = 0.0028902 k( 20) = ( 0.2272997 0.3444026 -0.0000000), wk = 0.0028902 k( 21) = ( 0.2392628 0.3625290 -0.0000000), wk = 0.0028902 k( 22) = ( 0.2512260 0.3806555 -0.0000000), wk = 0.0028902 k( 23) = ( 0.2631891 0.3987819 -0.0000000), wk = 0.0028902 k( 24) = ( 0.2751523 0.4169084 -0.0000000), wk = 0.0028902 k( 25) = ( 0.2871154 0.4350348 -0.0000000), wk = 0.0028902 k( 26) = ( 0.2990785 0.4531613 -0.0000000), wk = 0.0028902 k( 27) = ( 0.3110417 0.4712877 -0.0000000), wk = 0.0028902 k( 28) = ( 0.3230048 0.4894142 -0.0000000), wk = 0.0028902 k( 29) = ( 0.3349680 0.5075406 -0.0000000), wk = 0.0028902 k( 30) = ( 0.3469311 0.5256671 -0.0000000), wk = 0.0028902 k( 31) = ( 0.3588943 0.5437935 -0.0000000), wk = 0.0028902 k( 32) = ( 0.3588943 0.5437935 -0.0000000), wk = 0.0028902 k( 33) = ( 0.3377828 0.5437935 -0.0000000), wk = 0.0028902 k( 34) = ( 0.3166714 0.5437935 -0.0000000), wk = 0.0028902 k( 35) = ( 0.2955600 0.5437935 -0.0000000), wk = 0.0028902 k( 36) = ( 0.2744485 0.5437935 -0.0000000), wk = 0.0028902 k( 37) = ( 0.2533371 0.5437935 -0.0000000), wk = 0.0028902 k( 38) = ( 0.2322257 0.5437935 -0.0000000), wk = 0.0028902 k( 39) = ( 0.2111143 0.5437935 -0.0000000), wk = 0.0028902 k( 40) = ( 0.1900028 0.5437935 -0.0000000), wk = 0.0028902 k( 41) = ( 0.1688914 0.5437935 -0.0000000), wk = 0.0028902 k( 42) = ( 0.1477800 0.5437935 -0.0000000), wk = 0.0028902 k( 43) = ( 0.1266686 0.5437935 -0.0000000), wk = 0.0028902 k( 44) = ( 0.1055571 0.5437935 -0.0000000), wk = 0.0028902 k( 45) = ( 0.0844457 0.5437935 -0.0000000), wk = 0.0028902 k( 46) = ( 0.0633343 0.5437935 -0.0000000), wk = 0.0028902 k( 47) = ( 0.0422228 0.5437935 -0.0000000), wk = 0.0028902 k( 48) = ( 0.0211114 0.5437935 -0.0000000), wk = 0.0028902 k( 49) = ( 0.0000000 0.5437935 -0.0000000), wk = 0.0028902 k( 50) = ( 0.0000000 0.5437935 -0.0000000), wk = 0.0028902 k( 51) = ( 0.0000000 0.5437935 0.0215811), wk = 0.0028902 k( 52) = ( 0.0000000 0.5437935 0.0431622), wk = 0.0028902 k( 53) = ( 0.0000000 0.5437935 0.0647433), wk = 0.0028902 k( 54) = ( 0.0000000 0.5437935 0.0863244), wk = 0.0028902 k( 55) = ( 0.0000000 0.5437935 0.1079055), wk = 0.0028902 k( 56) = ( 0.0000000 0.5437935 0.1294866), wk = 0.0028902 k( 57) = ( 0.0000000 0.5437935 0.1510677), wk = 0.0028902 k( 58) = ( 0.0000000 0.5437935 0.1726488), wk = 0.0028902 k( 59) = ( 0.0000000 0.5437935 0.1942299), wk = 0.0028902 k( 60) = ( 0.0000000 0.5437935 0.2158110), wk = 0.0028902 k( 61) = ( 0.0000000 0.5437935 0.2373921), wk = 0.0028902 k( 62) = ( 0.0000000 0.5437935 0.2589732), wk = 0.0028902 k( 63) = ( 0.0000000 0.5437935 0.2805543), wk = 0.0028902 k( 64) = ( 0.0000000 0.5437935 0.3021354), wk = 0.0028902 k( 65) = ( 0.0000000 0.5437935 0.3237165), wk = 0.0028902 k( 66) = ( 0.0000000 0.5437935 0.3452976), wk = 0.0028902 k( 67) = ( 0.0000000 0.5437935 0.3668787), wk = 0.0028902 k( 68) = ( 0.0000000 0.5437935 0.3884598), wk = 0.0028902 k( 69) = ( 0.0000000 0.5437935 0.4100409), wk = 0.0028902 k( 70) = ( 0.0000000 0.5437935 0.4316220), wk = 0.0028902 k( 71) = ( 0.0000000 0.5437935 0.4532031), wk = 0.0028902 k( 72) = ( 0.0000000 0.5437935 0.4747842), wk = 0.0028902 k( 73) = ( 0.0000000 0.5437935 0.4963653), wk = 0.0028902 k( 74) = ( 0.0000000 0.5437935 0.5179464), wk = 0.0028902 k( 75) = ( 0.0000000 0.5437935 0.5395275), wk = 0.0028902 k( 76) = ( 0.0000000 0.5437935 0.5611086), wk = 0.0028902 k( 77) = ( 0.0000000 0.5437935 0.5826897), wk = 0.0028902 k( 78) = ( 0.0000000 0.5437935 0.6042708), wk = 0.0028902 k( 79) = ( 0.0000000 0.5437935 0.6258519), wk = 0.0028902 k( 80) = ( 0.0000000 0.5437935 0.6474330), wk = 0.0028902 k( 81) = ( 0.0000000 0.5437935 0.6690141), wk = 0.0028902 k( 82) = ( 0.0000000 0.5437935 0.6905952), wk = 0.0028902 k( 83) = ( 0.0000000 0.5437935 0.7121763), wk = 0.0028902 k( 84) = ( 0.0000000 0.5437935 0.7337574), wk = 0.0028902 k( 85) = ( 0.0000000 0.5437935 0.7553386), wk = 0.0028902 k( 86) = ( 0.0000000 0.5437935 0.7769197), wk = 0.0028902 k( 87) = ( 0.0000000 0.5437935 0.7985008), wk = 0.0028902 k( 88) = ( 0.0000000 0.5437935 0.8200819), wk = 0.0028902 k( 89) = ( 0.0000000 0.5437935 0.8416630), wk = 0.0028902 k( 90) = ( 0.0000000 0.5437935 0.8632441), wk = 0.0028902 k( 91) = ( 0.0000000 0.5437935 0.8632441), wk = 0.0028902 k( 92) = ( 0.0211114 0.5437935 0.8632441), wk = 0.0028902 k( 93) = ( 0.0422228 0.5437935 0.8632441), wk = 0.0028902 k( 94) = ( 0.0633343 0.5437935 0.8632441), wk = 0.0028902 k( 95) = ( 0.0844457 0.5437935 0.8632441), wk = 0.0028902 k( 96) = ( 0.1055571 0.5437935 0.8632441), wk = 0.0028902 k( 97) = ( 0.1266686 0.5437935 0.8632441), wk = 0.0028902 k( 98) = ( 0.1477800 0.5437935 0.8632441), wk = 0.0028902 k( 99) = ( 0.1688914 0.5437935 0.8632441), wk = 0.0028902 k( 100) = ( 0.1900028 0.5437935 0.8632441), wk = 0.0028902 k( 101) = ( 0.2111143 0.5437935 0.8632441), wk = 0.0028902 k( 102) = ( 0.2322257 0.5437935 0.8632441), wk = 0.0028902 k( 103) = ( 0.2533371 0.5437935 0.8632441), wk = 0.0028902 k( 104) = ( 0.2744485 0.5437935 0.8632441), wk = 0.0028902 k( 105) = ( 0.2955600 0.5437935 0.8632441), wk = 0.0028902 k( 106) = ( 0.3166714 0.5437935 0.8632441), wk = 0.0028902 k( 107) = ( 0.3377828 0.5437935 0.8632441), wk = 0.0028902 k( 108) = ( 0.3588943 0.5437935 0.8632441), wk = 0.0028902 k( 109) = ( 0.3588943 0.5437935 0.8632441), wk = 0.0028902 k( 110) = ( 0.3469311 0.5256671 0.8632441), wk = 0.0028902 k( 111) = ( 0.3349680 0.5075406 0.8632441), wk = 0.0028902 k( 112) = ( 0.3230048 0.4894142 0.8632441), wk = 0.0028902 k( 113) = ( 0.3110417 0.4712877 0.8632441), wk = 0.0028902 k( 114) = ( 0.2990785 0.4531613 0.8632441), wk = 0.0028902 k( 115) = ( 0.2871154 0.4350348 0.8632441), wk = 0.0028902 k( 116) = ( 0.2751523 0.4169084 0.8632441), wk = 0.0028902 k( 117) = ( 0.2631891 0.3987819 0.8632441), wk = 0.0028902 k( 118) = ( 0.2512260 0.3806555 0.8632441), wk = 0.0028902 k( 119) = ( 0.2392628 0.3625290 0.8632441), wk = 0.0028902 k( 120) = ( 0.2272997 0.3444026 0.8632441), wk = 0.0028902 k( 121) = ( 0.2153365 0.3262761 0.8632441), wk = 0.0028902 k( 122) = ( 0.2033734 0.3081497 0.8632441), wk = 0.0028902 k( 123) = ( 0.1914103 0.2900232 0.8632441), wk = 0.0028902 k( 124) = ( 0.1794471 0.2718968 0.8632441), wk = 0.0028902 k( 125) = ( 0.1674840 0.2537703 0.8632441), wk = 0.0028902 k( 126) = ( 0.1555208 0.2356439 0.8632441), wk = 0.0028902 k( 127) = ( 0.1435577 0.2175174 0.8632441), wk = 0.0028902 k( 128) = ( 0.1315946 0.1993910 0.8632441), wk = 0.0028902 k( 129) = ( 0.1196314 0.1812645 0.8632441), wk = 0.0028902 k( 130) = ( 0.1076683 0.1631381 0.8632441), wk = 0.0028902 k( 131) = ( 0.0957051 0.1450116 0.8632441), wk = 0.0028902 k( 132) = ( 0.0837420 0.1268852 0.8632441), wk = 0.0028902 k( 133) = ( 0.0717789 0.1087587 0.8632441), wk = 0.0028902 k( 134) = ( 0.0598157 0.0906323 0.8632441), wk = 0.0028902 k( 135) = ( 0.0478526 0.0725058 0.8632441), wk = 0.0028902 k( 136) = ( 0.0358894 0.0543793 0.8632441), wk = 0.0028902 k( 137) = ( 0.0239263 0.0362529 0.8632441), wk = 0.0028902 k( 138) = ( 0.0119631 0.0181264 0.8632441), wk = 0.0028902 k( 139) = ( 0.0000000 0.0000000 0.8632441), wk = 0.0028902 k( 140) = ( 0.0000000 0.0000000 0.8632441), wk = 0.0028902 k( 141) = ( 0.0000000 0.0000000 0.8416630), wk = 0.0028902 k( 142) = ( 0.0000000 0.0000000 0.8200819), wk = 0.0028902 k( 143) = ( 0.0000000 0.0000000 0.7985008), wk = 0.0028902 k( 144) = ( 0.0000000 0.0000000 0.7769197), wk = 0.0028902 k( 145) = ( 0.0000000 0.0000000 0.7553386), wk = 0.0028902 k( 146) = ( 0.0000000 0.0000000 0.7337574), wk = 0.0028902 k( 147) = ( 0.0000000 0.0000000 0.7121763), wk = 0.0028902 k( 148) = ( 0.0000000 0.0000000 0.6905952), wk = 0.0028902 k( 149) = ( 0.0000000 0.0000000 0.6690141), wk = 0.0028902 k( 150) = ( 0.0000000 0.0000000 0.6474330), wk = 0.0028902 k( 151) = ( 0.0000000 0.0000000 0.6258519), wk = 0.0028902 k( 152) = ( 0.0000000 0.0000000 0.6042708), wk = 0.0028902 k( 153) = ( 0.0000000 0.0000000 0.5826897), wk = 0.0028902 k( 154) = ( 0.0000000 0.0000000 0.5611086), wk = 0.0028902 k( 155) = ( 0.0000000 0.0000000 0.5395275), wk = 0.0028902 k( 156) = ( 0.0000000 0.0000000 0.5179464), wk = 0.0028902 k( 157) = ( 0.0000000 0.0000000 0.4963653), wk = 0.0028902 k( 158) = ( 0.0000000 0.0000000 0.4747842), wk = 0.0028902 k( 159) = ( 0.0000000 0.0000000 0.4532031), wk = 0.0028902 k( 160) = ( 0.0000000 0.0000000 0.4316220), wk = 0.0028902 k( 161) = ( 0.0000000 0.0000000 0.4100409), wk = 0.0028902 k( 162) = ( 0.0000000 0.0000000 0.3884598), wk = 0.0028902 k( 163) = ( 0.0000000 0.0000000 0.3668787), wk = 0.0028902 k( 164) = ( 0.0000000 0.0000000 0.3452976), wk = 0.0028902 k( 165) = ( 0.0000000 0.0000000 0.3237165), wk = 0.0028902 k( 166) = ( 0.0000000 0.0000000 0.3021354), wk = 0.0028902 k( 167) = ( 0.0000000 0.0000000 0.2805543), wk = 0.0028902 k( 168) = ( 0.0000000 0.0000000 0.2589732), wk = 0.0028902 k( 169) = ( 0.0000000 0.0000000 0.2373921), wk = 0.0028902 k( 170) = ( 0.0000000 0.0000000 0.2158110), wk = 0.0028902 k( 171) = ( 0.0000000 0.0000000 0.1942299), wk = 0.0028902 k( 172) = ( 0.0000000 0.0000000 0.1726488), wk = 0.0028902 k( 173) = ( 0.0000000 0.0000000 0.1510677), wk = 0.0028902 k( 174) = ( 0.0000000 0.0000000 0.1294866), wk = 0.0028902 k( 175) = ( 0.0000000 0.0000000 0.1079055), wk = 0.0028902 k( 176) = ( 0.0000000 0.0000000 0.0863244), wk = 0.0028902 k( 177) = ( 0.0000000 0.0000000 0.0647433), wk = 0.0028902 k( 178) = ( 0.0000000 0.0000000 0.0431622), wk = 0.0028902 k( 179) = ( 0.0000000 0.0000000 0.0215811), wk = 0.0028902 k( 180) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 181) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 182) = ( -0.0178571 0.0117854 0.0000000), wk = 0.0028902 k( 183) = ( -0.0357143 0.0235708 0.0000000), wk = 0.0028902 k( 184) = ( -0.0535714 0.0353562 0.0000000), wk = 0.0028902 k( 185) = ( -0.0714286 0.0471416 0.0000000), wk = 0.0028902 k( 186) = ( -0.0892857 0.0589270 0.0000000), wk = 0.0028902 k( 187) = ( -0.1071429 0.0707124 0.0000000), wk = 0.0028902 k( 188) = ( -0.1250000 0.0824978 0.0000000), wk = 0.0028902 k( 189) = ( -0.1428571 0.0942832 0.0000000), wk = 0.0028902 k( 190) = ( -0.1607143 0.1060686 0.0000000), wk = 0.0028902 k( 191) = ( -0.1785714 0.1178540 0.0000000), wk = 0.0028902 k( 192) = ( -0.1964286 0.1296394 0.0000000), wk = 0.0028902 k( 193) = ( -0.2142857 0.1414248 0.0000000), wk = 0.0028902 k( 194) = ( -0.2321429 0.1532102 0.0000000), wk = 0.0028902 k( 195) = ( -0.2500000 0.1649956 0.0000000), wk = 0.0028902 k( 196) = ( -0.2678571 0.1767810 0.0000000), wk = 0.0028902 k( 197) = ( -0.2857143 0.1885664 0.0000000), wk = 0.0028902 k( 198) = ( -0.3035714 0.2003519 0.0000000), wk = 0.0028902 k( 199) = ( -0.3214286 0.2121373 0.0000000), wk = 0.0028902 k( 200) = ( -0.3392857 0.2239227 0.0000000), wk = 0.0028902 k( 201) = ( -0.3571429 0.2357081 0.0000000), wk = 0.0028902 k( 202) = ( -0.3750000 0.2474935 0.0000000), wk = 0.0028902 k( 203) = ( -0.3928571 0.2592789 0.0000000), wk = 0.0028902 k( 204) = ( -0.4107143 0.2710643 0.0000000), wk = 0.0028902 k( 205) = ( -0.4285714 0.2828497 0.0000000), wk = 0.0028902 k( 206) = ( -0.4464286 0.2946351 0.0000000), wk = 0.0028902 k( 207) = ( -0.4642857 0.3064205 0.0000000), wk = 0.0028902 k( 208) = ( -0.4821429 0.3182059 0.0000000), wk = 0.0028902 k( 209) = ( -0.5000000 0.3299913 0.0000000), wk = 0.0028902 k( 210) = ( -0.5000000 0.3299913 0.0000000), wk = 0.0028902 k( 211) = ( -0.4882412 0.3478081 -0.0000000), wk = 0.0028902 k( 212) = ( -0.4764824 0.3656250 -0.0000000), wk = 0.0028902 k( 213) = ( -0.4647236 0.3834418 -0.0000000), wk = 0.0028902 k( 214) = ( -0.4529648 0.4012587 -0.0000000), wk = 0.0028902 k( 215) = ( -0.4412059 0.4190755 -0.0000000), wk = 0.0028902 k( 216) = ( -0.4294471 0.4368924 -0.0000000), wk = 0.0028902 k( 217) = ( -0.4176883 0.4547093 -0.0000000), wk = 0.0028902 k( 218) = ( -0.4059295 0.4725261 -0.0000000), wk = 0.0028902 k( 219) = ( -0.3941707 0.4903430 -0.0000000), wk = 0.0028902 k( 220) = ( -0.3824119 0.5081598 -0.0000000), wk = 0.0028902 k( 221) = ( -0.3706531 0.5259767 -0.0000000), wk = 0.0028902 k( 222) = ( -0.3588943 0.5437935 -0.0000000), wk = 0.0028902 k( 223) = ( -0.3588943 0.5437935 -0.0000000), wk = 0.0028902 k( 224) = ( -0.3588943 0.5437935 0.0215811), wk = 0.0028902 k( 225) = ( -0.3588943 0.5437935 0.0431622), wk = 0.0028902 k( 226) = ( -0.3588943 0.5437935 0.0647433), wk = 0.0028902 k( 227) = ( -0.3588943 0.5437935 0.0863244), wk = 0.0028902 k( 228) = ( -0.3588943 0.5437935 0.1079055), wk = 0.0028902 k( 229) = ( -0.3588943 0.5437935 0.1294866), wk = 0.0028902 k( 230) = ( -0.3588943 0.5437935 0.1510677), wk = 0.0028902 k( 231) = ( -0.3588943 0.5437935 0.1726488), wk = 0.0028902 k( 232) = ( -0.3588943 0.5437935 0.1942299), wk = 0.0028902 k( 233) = ( -0.3588943 0.5437935 0.2158110), wk = 0.0028902 k( 234) = ( -0.3588943 0.5437935 0.2373921), wk = 0.0028902 k( 235) = ( -0.3588943 0.5437935 0.2589732), wk = 0.0028902 k( 236) = ( -0.3588943 0.5437935 0.2805543), wk = 0.0028902 k( 237) = ( -0.3588943 0.5437935 0.3021354), wk = 0.0028902 k( 238) = ( -0.3588943 0.5437935 0.3237165), wk = 0.0028902 k( 239) = ( -0.3588943 0.5437935 0.3452976), wk = 0.0028902 k( 240) = ( -0.3588943 0.5437935 0.3668787), wk = 0.0028902 k( 241) = ( -0.3588943 0.5437935 0.3884598), wk = 0.0028902 k( 242) = ( -0.3588943 0.5437935 0.4100409), wk = 0.0028902 k( 243) = ( -0.3588943 0.5437935 0.4316220), wk = 0.0028902 k( 244) = ( -0.3588943 0.5437935 0.4532031), wk = 0.0028902 k( 245) = ( -0.3588943 0.5437935 0.4747842), wk = 0.0028902 k( 246) = ( -0.3588943 0.5437935 0.4963653), wk = 0.0028902 k( 247) = ( -0.3588943 0.5437935 0.5179464), wk = 0.0028902 k( 248) = ( -0.3588943 0.5437935 0.5395275), wk = 0.0028902 k( 249) = ( -0.3588943 0.5437935 0.5611086), wk = 0.0028902 k( 250) = ( -0.3588943 0.5437935 0.5826897), wk = 0.0028902 k( 251) = ( -0.3588943 0.5437935 0.6042708), wk = 0.0028902 k( 252) = ( -0.3588943 0.5437935 0.6258519), wk = 0.0028902 k( 253) = ( -0.3588943 0.5437935 0.6474330), wk = 0.0028902 k( 254) = ( -0.3588943 0.5437935 0.6690141), wk = 0.0028902 k( 255) = ( -0.3588943 0.5437935 0.6905952), wk = 0.0028902 k( 256) = ( -0.3588943 0.5437935 0.7121763), wk = 0.0028902 k( 257) = ( -0.3588943 0.5437935 0.7337574), wk = 0.0028902 k( 258) = ( -0.3588943 0.5437935 0.7553386), wk = 0.0028902 k( 259) = ( -0.3588943 0.5437935 0.7769197), wk = 0.0028902 k( 260) = ( -0.3588943 0.5437935 0.7985008), wk = 0.0028902 k( 261) = ( -0.3588943 0.5437935 0.8200819), wk = 0.0028902 k( 262) = ( -0.3588943 0.5437935 0.8416630), wk = 0.0028902 k( 263) = ( -0.3588943 0.5437935 0.8632441), wk = 0.0028902 k( 264) = ( -0.3588943 0.5437935 0.8632441), wk = 0.0028902 k( 265) = ( -0.3706531 0.5259767 0.8632441), wk = 0.0028902 k( 266) = ( -0.3824119 0.5081598 0.8632441), wk = 0.0028902 k( 267) = ( -0.3941707 0.4903430 0.8632441), wk = 0.0028902 k( 268) = ( -0.4059295 0.4725261 0.8632441), wk = 0.0028902 k( 269) = ( -0.4176883 0.4547093 0.8632441), wk = 0.0028902 k( 270) = ( -0.4294471 0.4368924 0.8632441), wk = 0.0028902 k( 271) = ( -0.4412059 0.4190755 0.8632441), wk = 0.0028902 k( 272) = ( -0.4529648 0.4012587 0.8632441), wk = 0.0028902 k( 273) = ( -0.4647236 0.3834418 0.8632441), wk = 0.0028902 k( 274) = ( -0.4764824 0.3656250 0.8632441), wk = 0.0028902 k( 275) = ( -0.4882412 0.3478081 0.8632441), wk = 0.0028902 k( 276) = ( -0.5000000 0.3299913 0.8632441), wk = 0.0028902 k( 277) = ( -0.5000000 0.3299913 0.8632441), wk = 0.0028902 k( 278) = ( -0.5000000 0.3299913 0.8416630), wk = 0.0028902 k( 279) = ( -0.5000000 0.3299913 0.8200819), wk = 0.0028902 k( 280) = ( -0.5000000 0.3299913 0.7985008), wk = 0.0028902 k( 281) = ( -0.5000000 0.3299913 0.7769197), wk = 0.0028902 k( 282) = ( -0.5000000 0.3299913 0.7553386), wk = 0.0028902 k( 283) = ( -0.5000000 0.3299913 0.7337574), wk = 0.0028902 k( 284) = ( -0.5000000 0.3299913 0.7121763), wk = 0.0028902 k( 285) = ( -0.5000000 0.3299913 0.6905952), wk = 0.0028902 k( 286) = ( -0.5000000 0.3299913 0.6690141), wk = 0.0028902 k( 287) = ( -0.5000000 0.3299913 0.6474330), wk = 0.0028902 k( 288) = ( -0.5000000 0.3299913 0.6258519), wk = 0.0028902 k( 289) = ( -0.5000000 0.3299913 0.6042708), wk = 0.0028902 k( 290) = ( -0.5000000 0.3299913 0.5826897), wk = 0.0028902 k( 291) = ( -0.5000000 0.3299913 0.5611086), wk = 0.0028902 k( 292) = ( -0.5000000 0.3299913 0.5395275), wk = 0.0028902 k( 293) = ( -0.5000000 0.3299913 0.5179464), wk = 0.0028902 k( 294) = ( -0.5000000 0.3299913 0.4963653), wk = 0.0028902 k( 295) = ( -0.5000000 0.3299913 0.4747842), wk = 0.0028902 k( 296) = ( -0.5000000 0.3299913 0.4532031), wk = 0.0028902 k( 297) = ( -0.5000000 0.3299913 0.4316220), wk = 0.0028902 k( 298) = ( -0.5000000 0.3299913 0.4100409), wk = 0.0028902 k( 299) = ( -0.5000000 0.3299913 0.3884598), wk = 0.0028902 k( 300) = ( -0.5000000 0.3299913 0.3668787), wk = 0.0028902 k( 301) = ( -0.5000000 0.3299913 0.3452976), wk = 0.0028902 k( 302) = ( -0.5000000 0.3299913 0.3237165), wk = 0.0028902 k( 303) = ( -0.5000000 0.3299913 0.3021354), wk = 0.0028902 k( 304) = ( -0.5000000 0.3299913 0.2805543), wk = 0.0028902 k( 305) = ( -0.5000000 0.3299913 0.2589732), wk = 0.0028902 k( 306) = ( -0.5000000 0.3299913 0.2373921), wk = 0.0028902 k( 307) = ( -0.5000000 0.3299913 0.2158110), wk = 0.0028902 k( 308) = ( -0.5000000 0.3299913 0.1942299), wk = 0.0028902 k( 309) = ( -0.5000000 0.3299913 0.1726488), wk = 0.0028902 k( 310) = ( -0.5000000 0.3299913 0.1510677), wk = 0.0028902 k( 311) = ( -0.5000000 0.3299913 0.1294866), wk = 0.0028902 k( 312) = ( -0.5000000 0.3299913 0.1079055), wk = 0.0028902 k( 313) = ( -0.5000000 0.3299913 0.0863244), wk = 0.0028902 k( 314) = ( -0.5000000 0.3299913 0.0647433), wk = 0.0028902 k( 315) = ( -0.5000000 0.3299913 0.0431622), wk = 0.0028902 k( 316) = ( -0.5000000 0.3299913 0.0215811), wk = 0.0028902 k( 317) = ( -0.5000000 0.3299913 0.0000000), wk = 0.0028902 k( 318) = ( 0.0000000 0.0000000 0.8632441), wk = 0.0028902 k( 319) = ( -0.0178571 0.0117854 0.8632441), wk = 0.0028902 k( 320) = ( -0.0357143 0.0235708 0.8632441), wk = 0.0028902 k( 321) = ( -0.0535714 0.0353562 0.8632441), wk = 0.0028902 k( 322) = ( -0.0714286 0.0471416 0.8632441), wk = 0.0028902 k( 323) = ( -0.0892857 0.0589270 0.8632441), wk = 0.0028902 k( 324) = ( -0.1071429 0.0707124 0.8632441), wk = 0.0028902 k( 325) = ( -0.1250000 0.0824978 0.8632441), wk = 0.0028902 k( 326) = ( -0.1428571 0.0942832 0.8632441), wk = 0.0028902 k( 327) = ( -0.1607143 0.1060686 0.8632441), wk = 0.0028902 k( 328) = ( -0.1785714 0.1178540 0.8632441), wk = 0.0028902 k( 329) = ( -0.1964286 0.1296394 0.8632441), wk = 0.0028902 k( 330) = ( -0.2142857 0.1414248 0.8632441), wk = 0.0028902 k( 331) = ( -0.2321429 0.1532102 0.8632441), wk = 0.0028902 k( 332) = ( -0.2500000 0.1649956 0.8632441), wk = 0.0028902 k( 333) = ( -0.2678571 0.1767810 0.8632441), wk = 0.0028902 k( 334) = ( -0.2857143 0.1885664 0.8632441), wk = 0.0028902 k( 335) = ( -0.3035714 0.2003519 0.8632441), wk = 0.0028902 k( 336) = ( -0.3214286 0.2121373 0.8632441), wk = 0.0028902 k( 337) = ( -0.3392857 0.2239227 0.8632441), wk = 0.0028902 k( 338) = ( -0.3571429 0.2357081 0.8632441), wk = 0.0028902 k( 339) = ( -0.3750000 0.2474935 0.8632441), wk = 0.0028902 k( 340) = ( -0.3928571 0.2592789 0.8632441), wk = 0.0028902 k( 341) = ( -0.4107143 0.2710643 0.8632441), wk = 0.0028902 k( 342) = ( -0.4285714 0.2828497 0.8632441), wk = 0.0028902 k( 343) = ( -0.4464286 0.2946351 0.8632441), wk = 0.0028902 k( 344) = ( -0.4642857 0.3064205 0.8632441), wk = 0.0028902 k( 345) = ( -0.4821429 0.3182059 0.8632441), wk = 0.0028902 k( 346) = ( -0.5000000 0.3299913 0.8632441), wk = 0.0028902 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 2) = ( 0.0119631 0.0119631 -0.0000000), wk = 0.0028902 k( 3) = ( 0.0239263 0.0239263 -0.0000000), wk = 0.0028902 k( 4) = ( 0.0358894 0.0358894 0.0000000), wk = 0.0028902 k( 5) = ( 0.0478526 0.0478526 0.0000000), wk = 0.0028902 k( 6) = ( 0.0598157 0.0598157 -0.0000000), wk = 0.0028902 k( 7) = ( 0.0717789 0.0717789 0.0000000), wk = 0.0028902 k( 8) = ( 0.0837420 0.0837420 0.0000000), wk = 0.0028902 k( 9) = ( 0.0957051 0.0957051 0.0000000), wk = 0.0028902 k( 10) = ( 0.1076683 0.1076683 -0.0000000), wk = 0.0028902 k( 11) = ( 0.1196314 0.1196314 -0.0000000), wk = 0.0028902 k( 12) = ( 0.1315946 0.1315946 -0.0000000), wk = 0.0028902 k( 13) = ( 0.1435577 0.1435577 0.0000000), wk = 0.0028902 k( 14) = ( 0.1555208 0.1555208 0.0000000), wk = 0.0028902 k( 15) = ( 0.1674840 0.1674840 0.0000000), wk = 0.0028902 k( 16) = ( 0.1794471 0.1794471 -0.0000000), wk = 0.0028902 k( 17) = ( 0.1914103 0.1914103 0.0000000), wk = 0.0028902 k( 18) = ( 0.2033734 0.2033734 0.0000000), wk = 0.0028902 k( 19) = ( 0.2153365 0.2153365 0.0000000), wk = 0.0028902 k( 20) = ( 0.2272997 0.2272997 -0.0000000), wk = 0.0028902 k( 21) = ( 0.2392628 0.2392628 -0.0000000), wk = 0.0028902 k( 22) = ( 0.2512260 0.2512260 -0.0000000), wk = 0.0028902 k( 23) = ( 0.2631891 0.2631891 -0.0000000), wk = 0.0028902 k( 24) = ( 0.2751523 0.2751523 -0.0000000), wk = 0.0028902 k( 25) = ( 0.2871154 0.2871154 0.0000000), wk = 0.0028902 k( 26) = ( 0.2990785 0.2990785 0.0000000), wk = 0.0028902 k( 27) = ( 0.3110417 0.3110417 0.0000000), wk = 0.0028902 k( 28) = ( 0.3230048 0.3230048 0.0000000), wk = 0.0028902 k( 29) = ( 0.3349680 0.3349680 0.0000000), wk = 0.0028902 k( 30) = ( 0.3469311 0.3469311 -0.0000000), wk = 0.0028902 k( 31) = ( 0.3588943 0.3588943 -0.0000000), wk = 0.0028902 k( 32) = ( 0.3588943 0.3588943 -0.0000000), wk = 0.0028902 k( 33) = ( 0.3377828 0.3671946 -0.0000000), wk = 0.0028902 k( 34) = ( 0.3166714 0.3754949 -0.0000000), wk = 0.0028902 k( 35) = ( 0.2955600 0.3837953 0.0000000), wk = 0.0028902 k( 36) = ( 0.2744485 0.3920956 -0.0000000), wk = 0.0028902 k( 37) = ( 0.2533371 0.4003959 -0.0000000), wk = 0.0028902 k( 38) = ( 0.2322257 0.4086963 0.0000000), wk = 0.0028902 k( 39) = ( 0.2111143 0.4169966 0.0000000), wk = 0.0028902 k( 40) = ( 0.1900028 0.4252970 -0.0000000), wk = 0.0028902 k( 41) = ( 0.1688914 0.4335973 -0.0000000), wk = 0.0028902 k( 42) = ( 0.1477800 0.4418976 -0.0000000), wk = 0.0028902 k( 43) = ( 0.1266686 0.4501980 -0.0000000), wk = 0.0028902 k( 44) = ( 0.1055571 0.4584983 0.0000000), wk = 0.0028902 k( 45) = ( 0.0844457 0.4667986 0.0000000), wk = 0.0028902 k( 46) = ( 0.0633343 0.4750990 -0.0000000), wk = 0.0028902 k( 47) = ( 0.0422228 0.4833993 -0.0000000), wk = 0.0028902 k( 48) = ( 0.0211114 0.4916997 0.0000000), wk = 0.0028902 k( 49) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028902 k( 50) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028902 k( 51) = ( 0.0000000 0.5000000 0.0125000), wk = 0.0028902 k( 52) = ( 0.0000000 0.5000000 0.0250000), wk = 0.0028902 k( 53) = ( 0.0000000 0.5000000 0.0375000), wk = 0.0028902 k( 54) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0028902 k( 55) = ( 0.0000000 0.5000000 0.0625000), wk = 0.0028902 k( 56) = ( 0.0000000 0.5000000 0.0750000), wk = 0.0028902 k( 57) = ( 0.0000000 0.5000000 0.0875000), wk = 0.0028902 k( 58) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0028902 k( 59) = ( 0.0000000 0.5000000 0.1125000), wk = 0.0028902 k( 60) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0028902 k( 61) = ( 0.0000000 0.5000000 0.1375000), wk = 0.0028902 k( 62) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0028902 k( 63) = ( 0.0000000 0.5000000 0.1625000), wk = 0.0028902 k( 64) = ( 0.0000000 0.5000000 0.1750000), wk = 0.0028902 k( 65) = ( 0.0000000 0.5000000 0.1875000), wk = 0.0028902 k( 66) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0028902 k( 67) = ( 0.0000000 0.5000000 0.2125000), wk = 0.0028902 k( 68) = ( 0.0000000 0.5000000 0.2250000), wk = 0.0028902 k( 69) = ( 0.0000000 0.5000000 0.2375000), wk = 0.0028902 k( 70) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0028902 k( 71) = ( 0.0000000 0.5000000 0.2625000), wk = 0.0028902 k( 72) = ( 0.0000000 0.5000000 0.2750000), wk = 0.0028902 k( 73) = ( 0.0000000 0.5000000 0.2875000), wk = 0.0028902 k( 74) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0028902 k( 75) = ( 0.0000000 0.5000000 0.3125000), wk = 0.0028902 k( 76) = ( 0.0000000 0.5000000 0.3250000), wk = 0.0028902 k( 77) = ( 0.0000000 0.5000000 0.3375000), wk = 0.0028902 k( 78) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0028902 k( 79) = ( 0.0000000 0.5000000 0.3625000), wk = 0.0028902 k( 80) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0028902 k( 81) = ( 0.0000000 0.5000000 0.3875000), wk = 0.0028902 k( 82) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0028902 k( 83) = ( 0.0000000 0.5000000 0.4125000), wk = 0.0028902 k( 84) = ( 0.0000000 0.5000000 0.4250000), wk = 0.0028902 k( 85) = ( 0.0000000 0.5000000 0.4375000), wk = 0.0028902 k( 86) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0028902 k( 87) = ( 0.0000000 0.5000000 0.4625000), wk = 0.0028902 k( 88) = ( 0.0000000 0.5000000 0.4750000), wk = 0.0028902 k( 89) = ( 0.0000000 0.5000000 0.4875000), wk = 0.0028902 k( 90) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028902 k( 91) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0028902 k( 92) = ( 0.0211114 0.4916997 0.5000000), wk = 0.0028902 k( 93) = ( 0.0422228 0.4833993 0.5000000), wk = 0.0028902 k( 94) = ( 0.0633343 0.4750990 0.5000000), wk = 0.0028902 k( 95) = ( 0.0844457 0.4667986 0.5000000), wk = 0.0028902 k( 96) = ( 0.1055571 0.4584983 0.5000000), wk = 0.0028902 k( 97) = ( 0.1266686 0.4501980 0.5000000), wk = 0.0028902 k( 98) = ( 0.1477800 0.4418976 0.5000000), wk = 0.0028902 k( 99) = ( 0.1688914 0.4335973 0.5000000), wk = 0.0028902 k( 100) = ( 0.1900028 0.4252970 0.5000000), wk = 0.0028902 k( 101) = ( 0.2111143 0.4169966 0.5000000), wk = 0.0028902 k( 102) = ( 0.2322257 0.4086963 0.5000000), wk = 0.0028902 k( 103) = ( 0.2533371 0.4003959 0.5000000), wk = 0.0028902 k( 104) = ( 0.2744485 0.3920956 0.5000000), wk = 0.0028902 k( 105) = ( 0.2955600 0.3837953 0.5000000), wk = 0.0028902 k( 106) = ( 0.3166714 0.3754949 0.5000000), wk = 0.0028902 k( 107) = ( 0.3377828 0.3671946 0.5000000), wk = 0.0028902 k( 108) = ( 0.3588943 0.3588943 0.5000000), wk = 0.0028902 k( 109) = ( 0.3588943 0.3588943 0.5000000), wk = 0.0028902 k( 110) = ( 0.3469311 0.3469311 0.5000000), wk = 0.0028902 k( 111) = ( 0.3349680 0.3349680 0.5000000), wk = 0.0028902 k( 112) = ( 0.3230048 0.3230048 0.5000000), wk = 0.0028902 k( 113) = ( 0.3110417 0.3110417 0.5000000), wk = 0.0028902 k( 114) = ( 0.2990785 0.2990785 0.5000000), wk = 0.0028902 k( 115) = ( 0.2871154 0.2871154 0.5000000), wk = 0.0028902 k( 116) = ( 0.2751523 0.2751523 0.5000000), wk = 0.0028902 k( 117) = ( 0.2631891 0.2631891 0.5000000), wk = 0.0028902 k( 118) = ( 0.2512260 0.2512260 0.5000000), wk = 0.0028902 k( 119) = ( 0.2392628 0.2392628 0.5000000), wk = 0.0028902 k( 120) = ( 0.2272997 0.2272997 0.5000000), wk = 0.0028902 k( 121) = ( 0.2153365 0.2153365 0.5000000), wk = 0.0028902 k( 122) = ( 0.2033734 0.2033734 0.5000000), wk = 0.0028902 k( 123) = ( 0.1914103 0.1914103 0.5000000), wk = 0.0028902 k( 124) = ( 0.1794471 0.1794471 0.5000000), wk = 0.0028902 k( 125) = ( 0.1674840 0.1674840 0.5000000), wk = 0.0028902 k( 126) = ( 0.1555208 0.1555208 0.5000000), wk = 0.0028902 k( 127) = ( 0.1435577 0.1435577 0.5000000), wk = 0.0028902 k( 128) = ( 0.1315946 0.1315946 0.5000000), wk = 0.0028902 k( 129) = ( 0.1196314 0.1196314 0.5000000), wk = 0.0028902 k( 130) = ( 0.1076683 0.1076683 0.5000000), wk = 0.0028902 k( 131) = ( 0.0957051 0.0957051 0.5000000), wk = 0.0028902 k( 132) = ( 0.0837420 0.0837420 0.5000000), wk = 0.0028902 k( 133) = ( 0.0717789 0.0717789 0.5000000), wk = 0.0028902 k( 134) = ( 0.0598157 0.0598157 0.5000000), wk = 0.0028902 k( 135) = ( 0.0478526 0.0478526 0.5000000), wk = 0.0028902 k( 136) = ( 0.0358894 0.0358894 0.5000000), wk = 0.0028902 k( 137) = ( 0.0239263 0.0239263 0.5000000), wk = 0.0028902 k( 138) = ( 0.0119631 0.0119631 0.5000000), wk = 0.0028902 k( 139) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028902 k( 140) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028902 k( 141) = ( 0.0000000 0.0000000 0.4875000), wk = 0.0028902 k( 142) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0028902 k( 143) = ( 0.0000000 0.0000000 0.4625000), wk = 0.0028902 k( 144) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0028902 k( 145) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0028902 k( 146) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0028902 k( 147) = ( 0.0000000 0.0000000 0.4125000), wk = 0.0028902 k( 148) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0028902 k( 149) = ( 0.0000000 0.0000000 0.3875000), wk = 0.0028902 k( 150) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0028902 k( 151) = ( 0.0000000 0.0000000 0.3625000), wk = 0.0028902 k( 152) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0028902 k( 153) = ( 0.0000000 0.0000000 0.3375000), wk = 0.0028902 k( 154) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0028902 k( 155) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0028902 k( 156) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0028902 k( 157) = ( 0.0000000 0.0000000 0.2875000), wk = 0.0028902 k( 158) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0028902 k( 159) = ( 0.0000000 0.0000000 0.2625000), wk = 0.0028902 k( 160) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0028902 k( 161) = ( 0.0000000 0.0000000 0.2375000), wk = 0.0028902 k( 162) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0028902 k( 163) = ( 0.0000000 0.0000000 0.2125000), wk = 0.0028902 k( 164) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0028902 k( 165) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0028902 k( 166) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0028902 k( 167) = ( 0.0000000 0.0000000 0.1625000), wk = 0.0028902 k( 168) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0028902 k( 169) = ( 0.0000000 0.0000000 0.1375000), wk = 0.0028902 k( 170) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0028902 k( 171) = ( 0.0000000 0.0000000 0.1125000), wk = 0.0028902 k( 172) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0028902 k( 173) = ( 0.0000000 0.0000000 0.0875000), wk = 0.0028902 k( 174) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0028902 k( 175) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0028902 k( 176) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0028902 k( 177) = ( 0.0000000 0.0000000 0.0375000), wk = 0.0028902 k( 178) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0028902 k( 179) = ( 0.0000000 0.0000000 0.0125000), wk = 0.0028902 k( 180) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 181) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 182) = ( -0.0178571 0.0178571 0.0000000), wk = 0.0028902 k( 183) = ( -0.0357143 0.0357143 -0.0000000), wk = 0.0028902 k( 184) = ( -0.0535714 0.0535714 -0.0000000), wk = 0.0028902 k( 185) = ( -0.0714286 0.0714286 0.0000000), wk = 0.0028902 k( 186) = ( -0.0892857 0.0892857 0.0000000), wk = 0.0028902 k( 187) = ( -0.1071429 0.1071429 -0.0000000), wk = 0.0028902 k( 188) = ( -0.1250000 0.1250000 0.0000000), wk = 0.0028902 k( 189) = ( -0.1428571 0.1428571 0.0000000), wk = 0.0028902 k( 190) = ( -0.1607143 0.1607143 0.0000000), wk = 0.0028902 k( 191) = ( -0.1785714 0.1785714 0.0000000), wk = 0.0028902 k( 192) = ( -0.1964286 0.1964286 0.0000000), wk = 0.0028902 k( 193) = ( -0.2142857 0.2142857 0.0000000), wk = 0.0028902 k( 194) = ( -0.2321429 0.2321429 -0.0000000), wk = 0.0028902 k( 195) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0028902 k( 196) = ( -0.2678571 0.2678571 0.0000000), wk = 0.0028902 k( 197) = ( -0.2857143 0.2857143 0.0000000), wk = 0.0028902 k( 198) = ( -0.3035714 0.3035714 0.0000000), wk = 0.0028902 k( 199) = ( -0.3214286 0.3214286 0.0000000), wk = 0.0028902 k( 200) = ( -0.3392857 0.3392857 0.0000000), wk = 0.0028902 k( 201) = ( -0.3571429 0.3571429 0.0000000), wk = 0.0028902 k( 202) = ( -0.3750000 0.3750000 0.0000000), wk = 0.0028902 k( 203) = ( -0.3928571 0.3928571 0.0000000), wk = 0.0028902 k( 204) = ( -0.4107143 0.4107143 -0.0000000), wk = 0.0028902 k( 205) = ( -0.4285714 0.4285714 0.0000000), wk = 0.0028902 k( 206) = ( -0.4464286 0.4464286 0.0000000), wk = 0.0028902 k( 207) = ( -0.4642857 0.4642857 -0.0000000), wk = 0.0028902 k( 208) = ( -0.4821429 0.4821429 0.0000000), wk = 0.0028902 k( 209) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0028902 k( 210) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0028902 k( 211) = ( -0.4882412 0.5117588 0.0000000), wk = 0.0028902 k( 212) = ( -0.4764824 0.5235176 -0.0000000), wk = 0.0028902 k( 213) = ( -0.4647236 0.5352764 0.0000000), wk = 0.0028902 k( 214) = ( -0.4529648 0.5470352 0.0000000), wk = 0.0028902 k( 215) = ( -0.4412059 0.5587941 -0.0000000), wk = 0.0028902 k( 216) = ( -0.4294471 0.5705529 0.0000000), wk = 0.0028902 k( 217) = ( -0.4176883 0.5823117 -0.0000000), wk = 0.0028902 k( 218) = ( -0.4059295 0.5940705 0.0000000), wk = 0.0028902 k( 219) = ( -0.3941707 0.6058293 -0.0000000), wk = 0.0028902 k( 220) = ( -0.3824119 0.6175881 0.0000000), wk = 0.0028902 k( 221) = ( -0.3706531 0.6293469 -0.0000000), wk = 0.0028902 k( 222) = ( -0.3588943 0.6411058 0.0000000), wk = 0.0028902 k( 223) = ( -0.3588943 0.6411058 0.0000000), wk = 0.0028902 k( 224) = ( -0.3588943 0.6411058 0.0125000), wk = 0.0028902 k( 225) = ( -0.3588943 0.6411058 0.0250000), wk = 0.0028902 k( 226) = ( -0.3588943 0.6411058 0.0375000), wk = 0.0028902 k( 227) = ( -0.3588943 0.6411058 0.0500000), wk = 0.0028902 k( 228) = ( -0.3588943 0.6411058 0.0625000), wk = 0.0028902 k( 229) = ( -0.3588943 0.6411058 0.0750000), wk = 0.0028902 k( 230) = ( -0.3588943 0.6411058 0.0875000), wk = 0.0028902 k( 231) = ( -0.3588943 0.6411058 0.1000000), wk = 0.0028902 k( 232) = ( -0.3588943 0.6411058 0.1125000), wk = 0.0028902 k( 233) = ( -0.3588943 0.6411058 0.1250000), wk = 0.0028902 k( 234) = ( -0.3588943 0.6411058 0.1375000), wk = 0.0028902 k( 235) = ( -0.3588943 0.6411058 0.1500000), wk = 0.0028902 k( 236) = ( -0.3588943 0.6411058 0.1625000), wk = 0.0028902 k( 237) = ( -0.3588943 0.6411058 0.1750000), wk = 0.0028902 k( 238) = ( -0.3588943 0.6411058 0.1875000), wk = 0.0028902 k( 239) = ( -0.3588943 0.6411058 0.2000000), wk = 0.0028902 k( 240) = ( -0.3588943 0.6411058 0.2125000), wk = 0.0028902 k( 241) = ( -0.3588943 0.6411058 0.2250000), wk = 0.0028902 k( 242) = ( -0.3588943 0.6411058 0.2375000), wk = 0.0028902 k( 243) = ( -0.3588943 0.6411058 0.2500000), wk = 0.0028902 k( 244) = ( -0.3588943 0.6411058 0.2625000), wk = 0.0028902 k( 245) = ( -0.3588943 0.6411058 0.2750000), wk = 0.0028902 k( 246) = ( -0.3588943 0.6411058 0.2875000), wk = 0.0028902 k( 247) = ( -0.3588943 0.6411058 0.3000000), wk = 0.0028902 k( 248) = ( -0.3588943 0.6411058 0.3125000), wk = 0.0028902 k( 249) = ( -0.3588943 0.6411058 0.3250000), wk = 0.0028902 k( 250) = ( -0.3588943 0.6411058 0.3375000), wk = 0.0028902 k( 251) = ( -0.3588943 0.6411058 0.3500000), wk = 0.0028902 k( 252) = ( -0.3588943 0.6411058 0.3625000), wk = 0.0028902 k( 253) = ( -0.3588943 0.6411058 0.3750000), wk = 0.0028902 k( 254) = ( -0.3588943 0.6411058 0.3875000), wk = 0.0028902 k( 255) = ( -0.3588943 0.6411058 0.4000000), wk = 0.0028902 k( 256) = ( -0.3588943 0.6411058 0.4125000), wk = 0.0028902 k( 257) = ( -0.3588943 0.6411058 0.4250000), wk = 0.0028902 k( 258) = ( -0.3588943 0.6411058 0.4375000), wk = 0.0028902 k( 259) = ( -0.3588943 0.6411058 0.4500000), wk = 0.0028902 k( 260) = ( -0.3588943 0.6411058 0.4625000), wk = 0.0028902 k( 261) = ( -0.3588943 0.6411058 0.4750000), wk = 0.0028902 k( 262) = ( -0.3588943 0.6411058 0.4875000), wk = 0.0028902 k( 263) = ( -0.3588943 0.6411058 0.5000000), wk = 0.0028902 k( 264) = ( -0.3588943 0.6411058 0.5000000), wk = 0.0028902 k( 265) = ( -0.3706531 0.6293469 0.5000000), wk = 0.0028902 k( 266) = ( -0.3824119 0.6175881 0.5000000), wk = 0.0028902 k( 267) = ( -0.3941707 0.6058293 0.5000000), wk = 0.0028902 k( 268) = ( -0.4059295 0.5940705 0.5000000), wk = 0.0028902 k( 269) = ( -0.4176883 0.5823117 0.5000000), wk = 0.0028902 k( 270) = ( -0.4294471 0.5705529 0.5000000), wk = 0.0028902 k( 271) = ( -0.4412059 0.5587941 0.5000000), wk = 0.0028902 k( 272) = ( -0.4529648 0.5470352 0.5000000), wk = 0.0028902 k( 273) = ( -0.4647236 0.5352764 0.5000000), wk = 0.0028902 k( 274) = ( -0.4764824 0.5235176 0.5000000), wk = 0.0028902 k( 275) = ( -0.4882412 0.5117588 0.5000000), wk = 0.0028902 k( 276) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028902 k( 277) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028902 k( 278) = ( -0.5000000 0.5000000 0.4875000), wk = 0.0028902 k( 279) = ( -0.5000000 0.5000000 0.4750000), wk = 0.0028902 k( 280) = ( -0.5000000 0.5000000 0.4625000), wk = 0.0028902 k( 281) = ( -0.5000000 0.5000000 0.4500000), wk = 0.0028902 k( 282) = ( -0.5000000 0.5000000 0.4375000), wk = 0.0028902 k( 283) = ( -0.5000000 0.5000000 0.4250000), wk = 0.0028902 k( 284) = ( -0.5000000 0.5000000 0.4125000), wk = 0.0028902 k( 285) = ( -0.5000000 0.5000000 0.4000000), wk = 0.0028902 k( 286) = ( -0.5000000 0.5000000 0.3875000), wk = 0.0028902 k( 287) = ( -0.5000000 0.5000000 0.3750000), wk = 0.0028902 k( 288) = ( -0.5000000 0.5000000 0.3625000), wk = 0.0028902 k( 289) = ( -0.5000000 0.5000000 0.3500000), wk = 0.0028902 k( 290) = ( -0.5000000 0.5000000 0.3375000), wk = 0.0028902 k( 291) = ( -0.5000000 0.5000000 0.3250000), wk = 0.0028902 k( 292) = ( -0.5000000 0.5000000 0.3125000), wk = 0.0028902 k( 293) = ( -0.5000000 0.5000000 0.3000000), wk = 0.0028902 k( 294) = ( -0.5000000 0.5000000 0.2875000), wk = 0.0028902 k( 295) = ( -0.5000000 0.5000000 0.2750000), wk = 0.0028902 k( 296) = ( -0.5000000 0.5000000 0.2625000), wk = 0.0028902 k( 297) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0028902 k( 298) = ( -0.5000000 0.5000000 0.2375000), wk = 0.0028902 k( 299) = ( -0.5000000 0.5000000 0.2250000), wk = 0.0028902 k( 300) = ( -0.5000000 0.5000000 0.2125000), wk = 0.0028902 k( 301) = ( -0.5000000 0.5000000 0.2000000), wk = 0.0028902 k( 302) = ( -0.5000000 0.5000000 0.1875000), wk = 0.0028902 k( 303) = ( -0.5000000 0.5000000 0.1750000), wk = 0.0028902 k( 304) = ( -0.5000000 0.5000000 0.1625000), wk = 0.0028902 k( 305) = ( -0.5000000 0.5000000 0.1500000), wk = 0.0028902 k( 306) = ( -0.5000000 0.5000000 0.1375000), wk = 0.0028902 k( 307) = ( -0.5000000 0.5000000 0.1250000), wk = 0.0028902 k( 308) = ( -0.5000000 0.5000000 0.1125000), wk = 0.0028902 k( 309) = ( -0.5000000 0.5000000 0.1000000), wk = 0.0028902 k( 310) = ( -0.5000000 0.5000000 0.0875000), wk = 0.0028902 k( 311) = ( -0.5000000 0.5000000 0.0750000), wk = 0.0028902 k( 312) = ( -0.5000000 0.5000000 0.0625000), wk = 0.0028902 k( 313) = ( -0.5000000 0.5000000 0.0500000), wk = 0.0028902 k( 314) = ( -0.5000000 0.5000000 0.0375000), wk = 0.0028902 k( 315) = ( -0.5000000 0.5000000 0.0250000), wk = 0.0028902 k( 316) = ( -0.5000000 0.5000000 0.0125000), wk = 0.0028902 k( 317) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0028902 k( 318) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028902 k( 319) = ( -0.0178571 0.0178571 0.5000000), wk = 0.0028902 k( 320) = ( -0.0357143 0.0357143 0.5000000), wk = 0.0028902 k( 321) = ( -0.0535714 0.0535714 0.5000000), wk = 0.0028902 k( 322) = ( -0.0714286 0.0714286 0.5000000), wk = 0.0028902 k( 323) = ( -0.0892857 0.0892857 0.5000000), wk = 0.0028902 k( 324) = ( -0.1071429 0.1071429 0.5000000), wk = 0.0028902 k( 325) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0028902 k( 326) = ( -0.1428571 0.1428571 0.5000000), wk = 0.0028902 k( 327) = ( -0.1607143 0.1607143 0.5000000), wk = 0.0028902 k( 328) = ( -0.1785714 0.1785714 0.5000000), wk = 0.0028902 k( 329) = ( -0.1964286 0.1964286 0.5000000), wk = 0.0028902 k( 330) = ( -0.2142857 0.2142857 0.5000000), wk = 0.0028902 k( 331) = ( -0.2321429 0.2321429 0.5000000), wk = 0.0028902 k( 332) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0028902 k( 333) = ( -0.2678571 0.2678571 0.5000000), wk = 0.0028902 k( 334) = ( -0.2857143 0.2857143 0.5000000), wk = 0.0028902 k( 335) = ( -0.3035714 0.3035714 0.5000000), wk = 0.0028902 k( 336) = ( -0.3214286 0.3214286 0.5000000), wk = 0.0028902 k( 337) = ( -0.3392857 0.3392857 0.5000000), wk = 0.0028902 k( 338) = ( -0.3571429 0.3571429 0.5000000), wk = 0.0028902 k( 339) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0028902 k( 340) = ( -0.3928571 0.3928571 0.5000000), wk = 0.0028902 k( 341) = ( -0.4107143 0.4107143 0.5000000), wk = 0.0028902 k( 342) = ( -0.4285714 0.4285714 0.5000000), wk = 0.0028902 k( 343) = ( -0.4464286 0.4464286 0.5000000), wk = 0.0028902 k( 344) = ( -0.4642857 0.4642857 0.5000000), wk = 0.0028902 k( 345) = ( -0.4821429 0.4821429 0.5000000), wk = 0.0028902 k( 346) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0028902 Dense grid: 114853 G-vectors FFT dimensions: ( 75, 75, 45) Smooth grid: 50785 G-vectors FFT dimensions: ( 60, 60, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.32 Mb ( 358, 58) NL pseudopotentials 0.44 Mb ( 179, 160) Each V/rho on FFT grid 0.17 Mb ( 11250) Each G-vector array 0.02 Mb ( 3190) G-vector shells 0.01 Mb ( 1598) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.27 Mb ( 358, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.28 Mb ( 160, 2, 58) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./PH2NO2.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.9 secs Computing kpt #: 2 total cpu time spent up to now is 3.6 secs Computing kpt #: 3 total cpu time spent up to now is 4.2 secs Computing kpt #: 4 total cpu time spent up to now is 4.9 secs Computing kpt #: 5 total cpu time spent up to now is 5.5 secs Computing kpt #: 6 total cpu time spent up to now is 6.2 secs Computing kpt #: 7 total cpu time spent up to now is 7.3 secs Computing kpt #: 8 total cpu time spent up to now is 7.9 secs Computing kpt #: 9 total cpu time spent up to now is 8.6 secs Computing kpt #: 10 total cpu time spent up to now is 9.3 secs Computing kpt #: 11 total cpu time spent up to now is 9.9 secs Computing kpt #: 12 total cpu time spent up to now is 10.6 secs Computing kpt #: 13 total cpu time spent up to now is 11.3 secs Computing kpt #: 14 total cpu time spent up to now is 12.1 secs Computing kpt #: 15 total cpu time spent up to now is 12.9 secs Computing kpt #: 16 total cpu time spent up to now is 13.6 secs Computing kpt #: 17 total cpu time spent up to now is 14.4 secs Computing kpt #: 18 total cpu time spent up to now is 15.2 secs Computing kpt #: 19 total cpu time spent up to now is 16.2 secs Computing kpt #: 20 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 18.1 secs Computing kpt #: 21 total cpu time spent up to now is 19.5 secs Computing kpt #: 22 total cpu time spent up to now is 20.6 secs Computing kpt #: 23 total cpu time spent up to now is 21.7 secs Computing kpt #: 24 total cpu time spent up to now is 22.7 secs Computing kpt #: 25 total cpu time spent up to now is 23.9 secs Computing kpt #: 26 total cpu time spent up to now is 25.1 secs Computing kpt #: 27 total cpu time spent up to now is 26.2 secs Computing kpt #: 28 total cpu time spent up to now is 28.0 secs Computing kpt #: 29 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 30.0 secs Computing kpt #: 30 total cpu time spent up to now is 31.0 secs Computing kpt #: 31 total cpu time spent up to now is 31.7 secs Computing kpt #: 32 total cpu time spent up to now is 32.5 secs Computing kpt #: 33 total cpu time spent up to now is 33.4 secs Computing kpt #: 34 total cpu time spent up to now is 34.5 secs Computing kpt #: 35 total cpu time spent up to now is 35.5 secs Computing kpt #: 36 total cpu time spent up to now is 36.5 secs Computing kpt #: 37 total cpu time spent up to now is 37.4 secs Computing kpt #: 38 total cpu time spent up to now is 38.3 secs Computing kpt #: 39 total cpu time spent up to now is 39.2 secs Computing kpt #: 40 total cpu time spent up to now is 40.1 secs Computing kpt #: 41 total cpu time spent up to now is 41.0 secs Computing kpt #: 42 total cpu time spent up to now is 41.9 secs Computing kpt #: 43 total cpu time spent up to now is 42.8 secs Computing kpt #: 44 total cpu time spent up to now is 43.7 secs Computing kpt #: 45 total cpu time spent up to now is 44.6 secs Computing kpt #: 46 total cpu time spent up to now is 45.6 secs Computing kpt #: 47 total cpu time spent up to now is 46.8 secs Computing kpt #: 48 total cpu time spent up to now is 48.1 secs Computing kpt #: 49 total cpu time spent up to now is 49.1 secs Computing kpt #: 50 total cpu time spent up to now is 50.0 secs Computing kpt #: 51 total cpu time spent up to now is 51.0 secs Computing kpt #: 52 total cpu time spent up to now is 51.9 secs Computing kpt #: 53 total cpu time spent up to now is 52.9 secs Computing kpt #: 54 total cpu time spent up to now is 53.8 secs Computing kpt #: 55 total cpu time spent up to now is 54.9 secs Computing kpt #: 56 total cpu time spent up to now is 55.8 secs Computing kpt #: 57 total cpu time spent up to now is 56.9 secs Computing kpt #: 58 total cpu time spent up to now is 57.9 secs Computing kpt #: 59 total cpu time spent up to now is 59.0 secs Computing kpt #: 60 total cpu time spent up to now is 59.8 secs Computing kpt #: 61 total cpu time spent up to now is 60.5 secs Computing kpt #: 62 total cpu time spent up to now is 61.2 secs Computing kpt #: 63 total cpu time spent up to now is 61.9 secs Computing kpt #: 64 total cpu time spent up to now is 62.7 secs Computing kpt #: 65 total cpu time spent up to now is 63.4 secs Computing kpt #: 66 total cpu time spent up to now is 64.0 secs Computing kpt #: 67 total cpu time spent up to now is 64.8 secs Computing kpt #: 68 total cpu time spent up to now is 65.4 secs Computing kpt #: 69 total cpu time spent up to now is 66.1 secs Computing kpt #: 70 total cpu time spent up to now is 66.7 secs Computing kpt #: 71 total cpu time spent up to now is 67.4 secs Computing kpt #: 72 total cpu time spent up to now is 68.2 secs Computing kpt #: 73 total cpu time spent up to now is 68.8 secs Computing kpt #: 74 total cpu time spent up to now is 69.6 secs Computing kpt #: 75 total cpu time spent up to now is 70.5 secs Computing kpt #: 76 total cpu time spent up to now is 71.4 secs Computing kpt #: 77 total cpu time spent up to now is 72.3 secs Computing kpt #: 78 total cpu time spent up to now is 73.1 secs Computing kpt #: 79 total cpu time spent up to now is 73.7 secs Computing kpt #: 80 total cpu time spent up to now is 74.5 secs Computing kpt #: 81 total cpu time spent up to now is 75.5 secs Computing kpt #: 82 total cpu time spent up to now is 76.5 secs Computing kpt #: 83 total cpu time spent up to now is 77.4 secs Computing kpt #: 84 total cpu time spent up to now is 78.4 secs Computing kpt #: 85 total cpu time spent up to now is 79.3 secs Computing kpt #: 86 total cpu time spent up to now is 80.2 secs Computing kpt #: 87 total cpu time spent up to now is 81.2 secs Computing kpt #: 88 total cpu time spent up to now is 82.1 secs Computing kpt #: 89 total cpu time spent up to now is 83.1 secs Computing kpt #: 90 total cpu time spent up to now is 83.9 secs Computing kpt #: 91 total cpu time spent up to now is 84.9 secs Computing kpt #: 92 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 86.7 secs Computing kpt #: 93 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 88.6 secs Computing kpt #: 94 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 90.5 secs Computing kpt #: 95 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 92.3 secs Computing kpt #: 96 total cpu time spent up to now is 93.9 secs Computing kpt #: 97 total cpu time spent up to now is 95.0 secs Computing kpt #: 98 total cpu time spent up to now is 96.2 secs Computing kpt #: 99 total cpu time spent up to now is 97.2 secs Computing kpt #: 100 total cpu time spent up to now is 98.0 secs Computing kpt #: 101 total cpu time spent up to now is 98.7 secs Computing kpt #: 102 total cpu time spent up to now is 99.7 secs Computing kpt #: 103 total cpu time spent up to now is 100.5 secs Computing kpt #: 104 total cpu time spent up to now is 101.3 secs Computing kpt #: 105 total cpu time spent up to now is 101.9 secs Computing kpt #: 106 total cpu time spent up to now is 102.7 secs Computing kpt #: 107 total cpu time spent up to now is 103.5 secs Computing kpt #: 108 total cpu time spent up to now is 104.3 secs Computing kpt #: 109 total cpu time spent up to now is 104.9 secs Computing kpt #: 110 total cpu time spent up to now is 105.6 secs Computing kpt #: 111 total cpu time spent up to now is 106.4 secs Computing kpt #: 112 total cpu time spent up to now is 107.3 secs Computing kpt #: 113 total cpu time spent up to now is 108.1 secs Computing kpt #: 114 total cpu time spent up to now is 108.9 secs Computing kpt #: 115 total cpu time spent up to now is 110.2 secs Computing kpt #: 116 total cpu time spent up to now is 111.6 secs Computing kpt #: 117 total cpu time spent up to now is 112.9 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 114.9 secs Computing kpt #: 119 total cpu time spent up to now is 115.8 secs Computing kpt #: 120 total cpu time spent up to now is 116.7 secs Computing kpt #: 121 total cpu time spent up to now is 117.4 secs Computing kpt #: 122 total cpu time spent up to now is 118.3 secs Computing kpt #: 123 total cpu time spent up to now is 119.1 secs Computing kpt #: 124 total cpu time spent up to now is 119.9 secs Computing kpt #: 125 total cpu time spent up to now is 120.6 secs Computing kpt #: 126 total cpu time spent up to now is 121.2 secs Computing kpt #: 127 total cpu time spent up to now is 122.0 secs Computing kpt #: 128 total cpu time spent up to now is 122.6 secs Computing kpt #: 129 total cpu time spent up to now is 123.3 secs Computing kpt #: 130 total cpu time spent up to now is 124.0 secs Computing kpt #: 131 total cpu time spent up to now is 124.6 secs Computing kpt #: 132 total cpu time spent up to now is 125.3 secs Computing kpt #: 133 total cpu time spent up to now is 125.9 secs Computing kpt #: 134 total cpu time spent up to now is 126.6 secs Computing kpt #: 135 total cpu time spent up to now is 127.2 secs Computing kpt #: 136 total cpu time spent up to now is 127.9 secs Computing kpt #: 137 total cpu time spent up to now is 128.5 secs Computing kpt #: 138 total cpu time spent up to now is 129.1 secs Computing kpt #: 139 total cpu time spent up to now is 129.7 secs Computing kpt #: 140 total cpu time spent up to now is 130.4 secs Computing kpt #: 141 total cpu time spent up to now is 131.0 secs Computing kpt #: 142 total cpu time spent up to now is 131.6 secs Computing kpt #: 143 total cpu time spent up to now is 132.3 secs Computing kpt #: 144 total cpu time spent up to now is 133.0 secs Computing kpt #: 145 total cpu time spent up to now is 133.7 secs Computing kpt #: 146 total cpu time spent up to now is 134.4 secs Computing kpt #: 147 total cpu time spent up to now is 135.1 secs Computing kpt #: 148 total cpu time spent up to now is 135.8 secs Computing kpt #: 149 total cpu time spent up to now is 136.5 secs Computing kpt #: 150 total cpu time spent up to now is 137.2 secs Computing kpt #: 151 total cpu time spent up to now is 137.8 secs Computing kpt #: 152 total cpu time spent up to now is 138.5 secs Computing kpt #: 153 total cpu time spent up to now is 139.2 secs Computing kpt #: 154 total cpu time spent up to now is 140.0 secs Computing kpt #: 155 total cpu time spent up to now is 140.7 secs Computing kpt #: 156 total cpu time spent up to now is 141.4 secs Computing kpt #: 157 total cpu time spent up to now is 142.1 secs Computing kpt #: 158 total cpu time spent up to now is 142.7 secs Computing kpt #: 159 total cpu time spent up to now is 143.4 secs Computing kpt #: 160 total cpu time spent up to now is 144.1 secs Computing kpt #: 161 total cpu time spent up to now is 144.8 secs Computing kpt #: 162 total cpu time spent up to now is 145.5 secs Computing kpt #: 163 total cpu time spent up to now is 146.2 secs Computing kpt #: 164 total cpu time spent up to now is 146.9 secs Computing kpt #: 165 total cpu time spent up to now is 147.5 secs Computing kpt #: 166 total cpu time spent up to now is 148.2 secs Computing kpt #: 167 total cpu time spent up to now is 148.9 secs Computing kpt #: 168 total cpu time spent up to now is 149.5 secs Computing kpt #: 169 total cpu time spent up to now is 150.2 secs Computing kpt #: 170 total cpu time spent up to now is 150.9 secs Computing kpt #: 171 total cpu time spent up to now is 151.5 secs Computing kpt #: 172 total cpu time spent up to now is 152.2 secs Computing kpt #: 173 total cpu time spent up to now is 152.9 secs Computing kpt #: 174 total cpu time spent up to now is 153.5 secs Computing kpt #: 175 total cpu time spent up to now is 154.2 secs Computing kpt #: 176 total cpu time spent up to now is 154.8 secs Computing kpt #: 177 total cpu time spent up to now is 155.5 secs Computing kpt #: 178 total cpu time spent up to now is 156.1 secs Computing kpt #: 179 total cpu time spent up to now is 156.8 secs Computing kpt #: 180 total cpu time spent up to now is 157.4 secs Computing kpt #: 181 total cpu time spent up to now is 158.1 secs Computing kpt #: 182 total cpu time spent up to now is 158.7 secs Computing kpt #: 183 total cpu time spent up to now is 159.3 secs Computing kpt #: 184 total cpu time spent up to now is 160.0 secs Computing kpt #: 185 total cpu time spent up to now is 160.6 secs Computing kpt #: 186 total cpu time spent up to now is 161.3 secs Computing kpt #: 187 total cpu time spent up to now is 161.9 secs Computing kpt #: 188 total cpu time spent up to now is 162.6 secs Computing kpt #: 189 total cpu time spent up to now is 163.2 secs Computing kpt #: 190 total cpu time spent up to now is 163.9 secs Computing kpt #: 191 total cpu time spent up to now is 164.5 secs Computing kpt #: 192 total cpu time spent up to now is 165.2 secs Computing kpt #: 193 total cpu time spent up to now is 165.8 secs Computing kpt #: 194 total cpu time spent up to now is 166.5 secs Computing kpt #: 195 total cpu time spent up to now is 167.1 secs Computing kpt #: 196 total cpu time spent up to now is 167.8 secs Computing kpt #: 197 total cpu time spent up to now is 168.5 secs Computing kpt #: 198 total cpu time spent up to now is 169.1 secs Computing kpt #: 199 total cpu time spent up to now is 169.8 secs Computing kpt #: 200 total cpu time spent up to now is 170.5 secs Computing kpt #: 201 total cpu time spent up to now is 171.1 secs Computing kpt #: 202 total cpu time spent up to now is 171.8 secs Computing kpt #: 203 total cpu time spent up to now is 172.5 secs Computing kpt #: 204 total cpu time spent up to now is 173.2 secs Computing kpt #: 205 total cpu time spent up to now is 173.9 secs Computing kpt #: 206 total cpu time spent up to now is 174.5 secs Computing kpt #: 207 total cpu time spent up to now is 175.2 secs Computing kpt #: 208 total cpu time spent up to now is 175.9 secs Computing kpt #: 209 total cpu time spent up to now is 176.5 secs Computing kpt #: 210 total cpu time spent up to now is 177.5 secs Computing kpt #: 211 total cpu time spent up to now is 178.2 secs Computing kpt #: 212 total cpu time spent up to now is 178.9 secs Computing kpt #: 213 total cpu time spent up to now is 179.5 secs Computing kpt #: 214 total cpu time spent up to now is 180.2 secs Computing kpt #: 215 total cpu time spent up to now is 180.9 secs Computing kpt #: 216 total cpu time spent up to now is 181.6 secs Computing kpt #: 217 total cpu time spent up to now is 182.3 secs Computing kpt #: 218 total cpu time spent up to now is 183.0 secs Computing kpt #: 219 total cpu time spent up to now is 183.7 secs Computing kpt #: 220 total cpu time spent up to now is 184.5 secs Computing kpt #: 221 total cpu time spent up to now is 185.3 secs Computing kpt #: 222 total cpu time spent up to now is 186.1 secs Computing kpt #: 223 total cpu time spent up to now is 186.8 secs Computing kpt #: 224 total cpu time spent up to now is 187.6 secs Computing kpt #: 225 total cpu time spent up to now is 188.4 secs Computing kpt #: 226 total cpu time spent up to now is 189.2 secs Computing kpt #: 227 total cpu time spent up to now is 190.0 secs Computing kpt #: 228 total cpu time spent up to now is 190.8 secs Computing kpt #: 229 total cpu time spent up to now is 191.6 secs Computing kpt #: 230 total cpu time spent up to now is 192.4 secs Computing kpt #: 231 total cpu time spent up to now is 193.1 secs Computing kpt #: 232 total cpu time spent up to now is 193.9 secs Computing kpt #: 233 total cpu time spent up to now is 194.7 secs Computing kpt #: 234 total cpu time spent up to now is 195.5 secs Computing kpt #: 235 total cpu time spent up to now is 196.3 secs Computing kpt #: 236 total cpu time spent up to now is 197.1 secs Computing kpt #: 237 total cpu time spent up to now is 197.9 secs Computing kpt #: 238 total cpu time spent up to now is 198.7 secs Computing kpt #: 239 total cpu time spent up to now is 199.4 secs Computing kpt #: 240 total cpu time spent up to now is 200.2 secs Computing kpt #: 241 total cpu time spent up to now is 200.9 secs Computing kpt #: 242 total cpu time spent up to now is 201.6 secs Computing kpt #: 243 total cpu time spent up to now is 202.3 secs Computing kpt #: 244 total cpu time spent up to now is 203.0 secs Computing kpt #: 245 total cpu time spent up to now is 203.7 secs Computing kpt #: 246 total cpu time spent up to now is 204.4 secs Computing kpt #: 247 total cpu time spent up to now is 205.1 secs Computing kpt #: 248 total cpu time spent up to now is 205.7 secs Computing kpt #: 249 total cpu time spent up to now is 206.4 secs Computing kpt #: 250 total cpu time spent up to now is 207.1 secs Computing kpt #: 251 total cpu time spent up to now is 207.8 secs Computing kpt #: 252 total cpu time spent up to now is 208.5 secs Computing kpt #: 253 total cpu time spent up to now is 209.2 secs Computing kpt #: 254 total cpu time spent up to now is 209.9 secs Computing kpt #: 255 total cpu time spent up to now is 210.5 secs Computing kpt #: 256 total cpu time spent up to now is 211.2 secs Computing kpt #: 257 total cpu time spent up to now is 211.9 secs Computing kpt #: 258 total cpu time spent up to now is 212.6 secs Computing kpt #: 259 total cpu time spent up to now is 213.3 secs Computing kpt #: 260 total cpu time spent up to now is 213.9 secs Computing kpt #: 261 total cpu time spent up to now is 214.6 secs Computing kpt #: 262 total cpu time spent up to now is 215.2 secs Computing kpt #: 263 total cpu time spent up to now is 216.0 secs Computing kpt #: 264 total cpu time spent up to now is 216.7 secs Computing kpt #: 265 total cpu time spent up to now is 217.3 secs Computing kpt #: 266 total cpu time spent up to now is 218.0 secs Computing kpt #: 267 total cpu time spent up to now is 218.7 secs Computing kpt #: 268 total cpu time spent up to now is 219.4 secs Computing kpt #: 269 total cpu time spent up to now is 220.0 secs Computing kpt #: 270 total cpu time spent up to now is 220.6 secs Computing kpt #: 271 total cpu time spent up to now is 221.3 secs Computing kpt #: 272 total cpu time spent up to now is 221.9 secs Computing kpt #: 273 total cpu time spent up to now is 222.5 secs Computing kpt #: 274 total cpu time spent up to now is 223.1 secs Computing kpt #: 275 total cpu time spent up to now is 223.8 secs Computing kpt #: 276 total cpu time spent up to now is 224.4 secs Computing kpt #: 277 total cpu time spent up to now is 225.1 secs Computing kpt #: 278 total cpu time spent up to now is 225.7 secs Computing kpt #: 279 total cpu time spent up to now is 226.3 secs Computing kpt #: 280 total cpu time spent up to now is 227.0 secs Computing kpt #: 281 total cpu time spent up to now is 227.7 secs Computing kpt #: 282 total cpu time spent up to now is 228.3 secs Computing kpt #: 283 total cpu time spent up to now is 229.0 secs Computing kpt #: 284 total cpu time spent up to now is 229.7 secs Computing kpt #: 285 total cpu time spent up to now is 230.4 secs Computing kpt #: 286 total cpu time spent up to now is 231.1 secs Computing kpt #: 287 total cpu time spent up to now is 231.8 secs Computing kpt #: 288 total cpu time spent up to now is 232.5 secs Computing kpt #: 289 total cpu time spent up to now is 233.2 secs Computing kpt #: 290 total cpu time spent up to now is 233.9 secs Computing kpt #: 291 total cpu time spent up to now is 234.6 secs Computing kpt #: 292 total cpu time spent up to now is 235.3 secs Computing kpt #: 293 total cpu time spent up to now is 236.1 secs Computing kpt #: 294 total cpu time spent up to now is 236.9 secs Computing kpt #: 295 total cpu time spent up to now is 237.7 secs Computing kpt #: 296 total cpu time spent up to now is 238.4 secs Computing kpt #: 297 total cpu time spent up to now is 239.2 secs Computing kpt #: 298 total cpu time spent up to now is 239.9 secs Computing kpt #: 299 total cpu time spent up to now is 240.6 secs Computing kpt #: 300 total cpu time spent up to now is 241.3 secs Computing kpt #: 301 total cpu time spent up to now is 242.1 secs Computing kpt #: 302 total cpu time spent up to now is 242.8 secs Computing kpt #: 303 total cpu time spent up to now is 243.6 secs Computing kpt #: 304 total cpu time spent up to now is 244.2 secs Computing kpt #: 305 total cpu time spent up to now is 244.9 secs Computing kpt #: 306 total cpu time spent up to now is 245.6 secs Computing kpt #: 307 total cpu time spent up to now is 246.3 secs Computing kpt #: 308 total cpu time spent up to now is 247.1 secs Computing kpt #: 309 total cpu time spent up to now is 247.8 secs Computing kpt #: 310 total cpu time spent up to now is 248.5 secs Computing kpt #: 311 total cpu time spent up to now is 249.2 secs Computing kpt #: 312 total cpu time spent up to now is 249.8 secs Computing kpt #: 313 total cpu time spent up to now is 250.5 secs Computing kpt #: 314 total cpu time spent up to now is 251.2 secs Computing kpt #: 315 total cpu time spent up to now is 251.9 secs Computing kpt #: 316 total cpu time spent up to now is 252.5 secs Computing kpt #: 317 total cpu time spent up to now is 253.2 secs Computing kpt #: 318 total cpu time spent up to now is 253.8 secs Computing kpt #: 319 total cpu time spent up to now is 254.5 secs Computing kpt #: 320 total cpu time spent up to now is 255.1 secs Computing kpt #: 321 total cpu time spent up to now is 255.7 secs Computing kpt #: 322 total cpu time spent up to now is 256.4 secs Computing kpt #: 323 total cpu time spent up to now is 257.0 secs Computing kpt #: 324 total cpu time spent up to now is 257.7 secs Computing kpt #: 325 total cpu time spent up to now is 258.3 secs Computing kpt #: 326 total cpu time spent up to now is 258.9 secs Computing kpt #: 327 total cpu time spent up to now is 259.5 secs Computing kpt #: 328 total cpu time spent up to now is 260.2 secs Computing kpt #: 329 total cpu time spent up to now is 260.8 secs Computing kpt #: 330 total cpu time spent up to now is 261.4 secs Computing kpt #: 331 total cpu time spent up to now is 262.1 secs Computing kpt #: 332 total cpu time spent up to now is 262.7 secs Computing kpt #: 333 total cpu time spent up to now is 263.3 secs Computing kpt #: 334 total cpu time spent up to now is 264.0 secs Computing kpt #: 335 total cpu time spent up to now is 264.6 secs Computing kpt #: 336 total cpu time spent up to now is 265.2 secs Computing kpt #: 337 total cpu time spent up to now is 265.9 secs Computing kpt #: 338 total cpu time spent up to now is 266.5 secs Computing kpt #: 339 total cpu time spent up to now is 267.1 secs Computing kpt #: 340 total cpu time spent up to now is 267.8 secs Computing kpt #: 341 total cpu time spent up to now is 268.5 secs Computing kpt #: 342 total cpu time spent up to now is 269.1 secs Computing kpt #: 343 total cpu time spent up to now is 269.7 secs Computing kpt #: 344 total cpu time spent up to now is 270.4 secs Computing kpt #: 345 total cpu time spent up to now is 271.0 secs Computing kpt #: 346 total cpu time spent up to now is 271.7 secs ethr = 2.08E-08, avg # of iterations = 26.2 total cpu time spent up to now is 271.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6373 PWs) bands (ev): -19.9157 -19.9157 -19.8416 -19.8416 -18.4183 -18.4183 -18.4145 -18.4145 -12.7251 -12.7251 -12.6556 -12.6556 -8.9083 -8.9083 -8.5651 -8.5651 -6.2917 -6.2917 -4.8637 -4.8637 -4.7069 -4.7069 -4.6594 -4.6594 -4.4428 -4.4428 -4.2236 -4.2236 -2.9540 -2.9540 -2.6218 -2.6218 -2.3773 -2.3773 -2.1372 -2.1372 -1.7803 -1.7803 -1.4236 -1.4236 -1.2316 -1.2316 -1.1955 -1.1955 -1.0956 -1.0956 -0.9430 -0.9430 -0.8495 -0.8495 -0.8109 -0.8109 -0.7518 -0.7518 -0.6346 -0.6346 4.6805 4.6805 k = 0.0120 0.0181-0.0000 ( 6373 PWs) bands (ev): -19.9156 -19.9156 -19.8416 -19.8416 -18.4183 -18.4183 -18.4145 -18.4145 -12.7250 -12.7250 -12.6556 -12.6556 -8.9080 -8.9080 -8.5658 -8.5658 -6.2897 -6.2897 -4.8649 -4.8649 -4.7082 -4.7082 -4.6594 -4.6594 -4.4425 -4.4425 -4.2236 -4.2236 -2.9536 -2.9536 -2.6223 -2.6223 -2.3772 -2.3772 -2.1384 -2.1384 -1.7802 -1.7802 -1.4232 -1.4232 -1.2315 -1.2315 -1.1958 -1.1958 -1.0948 -1.0948 -0.9427 -0.9427 -0.8501 -0.8501 -0.8097 -0.8097 -0.7518 -0.7518 -0.6350 -0.6350 4.6851 4.6851 k = 0.0239 0.0363-0.0000 ( 6367 PWs) bands (ev): -19.9154 -19.9154 -19.8419 -19.8419 -18.4184 -18.4184 -18.4144 -18.4144 -12.7247 -12.7247 -12.6558 -12.6558 -8.9071 -8.9071 -8.5678 -8.5678 -6.2837 -6.2837 -4.8684 -4.8684 -4.7119 -4.7119 -4.6595 -4.6595 -4.4415 -4.4415 -4.2236 -4.2236 -2.9524 -2.9524 -2.6238 -2.6238 -2.3766 -2.3766 -2.1422 -2.1422 -1.7797 -1.7797 -1.4222 -1.4222 -1.2314 -1.2314 -1.1968 -1.1968 -1.0926 -1.0926 -0.9418 -0.9418 -0.8519 -0.8519 -0.8063 -0.8063 -0.7520 -0.7520 -0.6362 -0.6362 4.6989 4.6989 k = 0.0359 0.0544-0.0000 ( 6367 PWs) bands (ev): -19.9150 -19.9150 -19.8423 -19.8423 -18.4186 -18.4186 -18.4142 -18.4142 -12.7243 -12.7243 -12.6562 -12.6562 -8.9056 -8.9056 -8.5712 -8.5712 -6.2738 -6.2738 -4.8745 -4.8745 -4.7178 -4.7178 -4.6597 -4.6597 -4.4399 -4.4399 -4.2235 -4.2235 -2.9504 -2.9504 -2.6262 -2.6262 -2.3757 -2.3757 -2.1484 -2.1484 -1.7790 -1.7790 -1.4206 -1.4206 -1.2311 -1.2311 -1.1986 -1.1986 -1.0888 -1.0888 -0.9402 -0.9402 -0.8543 -0.8543 -0.8013 -0.8013 -0.7523 -0.7523 -0.6382 -0.6382 4.7218 4.7218 k = 0.0479 0.0725-0.0000 ( 6381 PWs) bands (ev): -19.9144 -19.9144 -19.8428 -19.8428 -18.4189 -18.4189 -18.4140 -18.4140 -12.7237 -12.7237 -12.6567 -12.6567 -8.9034 -8.9034 -8.5758 -8.5758 -6.2600 -6.2600 -4.8835 -4.8835 -4.7257 -4.7257 -4.6598 -4.6598 -4.4376 -4.4376 -4.2235 -4.2235 -2.9476 -2.9476 -2.6296 -2.6296 -2.3745 -2.3745 -2.1570 -2.1570 -1.7779 -1.7779 -1.4184 -1.4184 -1.2306 -1.2306 -1.2009 -1.2009 -1.0835 -1.0835 -0.9380 -0.9380 -0.8570 -0.8570 -0.7949 -0.7949 -0.7528 -0.7528 -0.6410 -0.6410 4.7537 4.7537 k = 0.0598 0.0906-0.0000 ( 6373 PWs) bands (ev): -19.9137 -19.9137 -19.8435 -19.8435 -18.4193 -18.4193 -18.4137 -18.4137 -12.7229 -12.7229 -12.6574 -12.6574 -8.9007 -8.9007 -8.5816 -8.5816 -6.2424 -6.2424 -4.8956 -4.8956 -4.7351 -4.7351 -4.6598 -4.6598 -4.4348 -4.4348 -4.2234 -4.2234 -2.9440 -2.9440 -2.6339 -2.6339 -2.3730 -2.3730 -2.1677 -2.1677 -1.7766 -1.7766 -1.4158 -1.4158 -1.2301 -1.2301 -1.2039 -1.2039 -1.0769 -1.0769 -0.9352 -0.9352 -0.8597 -0.8597 -0.7877 -0.7877 -0.7533 -0.7533 -0.6446 -0.6446 4.7945 4.7945 k = 0.0718 0.1088-0.0000 ( 6371 PWs) bands (ev): -19.9128 -19.9128 -19.8443 -19.8443 -18.4198 -18.4198 -18.4134 -18.4134 -12.7219 -12.7219 -12.6581 -12.6581 -8.8973 -8.8973 -8.5886 -8.5886 -6.2211 -6.2211 -4.9113 -4.9113 -4.7453 -4.7453 -4.6598 -4.6598 -4.4313 -4.4313 -4.2233 -4.2233 -2.9398 -2.9398 -2.6391 -2.6391 -2.3711 -2.3711 -2.1803 -2.1803 -1.7750 -1.7750 -1.4129 -1.4129 -1.2293 -1.2293 -1.2073 -1.2073 -1.0689 -1.0689 -0.9317 -0.9317 -0.8623 -0.8623 -0.7796 -0.7796 -0.7540 -0.7540 -0.6489 -0.6489 4.8440 4.8440 k = 0.0837 0.1269-0.0000 ( 6373 PWs) bands (ev): -19.9118 -19.9118 -19.8453 -19.8453 -18.4203 -18.4203 -18.4130 -18.4130 -12.7208 -12.7208 -12.6590 -12.6590 -8.8933 -8.8933 -8.5966 -8.5966 -6.1964 -6.1964 -4.9308 -4.9308 -4.7560 -4.7560 -4.6597 -4.6597 -4.4272 -4.4272 -4.2232 -4.2232 -2.9349 -2.9349 -2.6451 -2.6451 -2.3690 -2.3690 -2.1948 -2.1948 -1.7732 -1.7732 -1.4098 -1.4098 -1.2284 -1.2284 -1.2113 -1.2113 -1.0597 -1.0597 -0.9276 -0.9276 -0.8647 -0.8647 -0.7710 -0.7710 -0.7547 -0.7547 -0.6539 -0.6539 4.9019 4.9019 k = 0.0957 0.1450-0.0000 ( 6367 PWs) bands (ev): -19.9106 -19.9106 -19.8464 -19.8464 -18.4209 -18.4209 -18.4126 -18.4126 -12.7195 -12.7195 -12.6601 -12.6601 -8.8887 -8.8887 -8.6055 -8.6055 -6.1683 -6.1683 -4.9544 -4.9544 -4.7667 -4.7667 -4.6596 -4.6596 -4.4226 -4.4226 -4.2231 -4.2231 -2.9294 -2.9294 -2.6520 -2.6520 -2.3666 -2.3666 -2.2108 -2.2108 -1.7711 -1.7711 -1.4066 -1.4066 -1.2273 -1.2273 -1.2157 -1.2157 -1.0493 -1.0493 -0.9229 -0.9229 -0.8669 -0.8669 -0.7621 -0.7621 -0.7552 -0.7552 -0.6596 -0.6596 4.9680 4.9680 k = 0.1077 0.1631-0.0000 ( 6367 PWs) bands (ev): -19.9093 -19.9093 -19.8476 -19.8476 -18.4216 -18.4216 -18.4121 -18.4121 -12.7180 -12.7180 -12.6612 -12.6612 -8.8836 -8.8836 -8.6153 -8.6153 -6.1369 -6.1369 -4.9821 -4.9821 -4.7772 -4.7772 -4.6594 -4.6594 -4.4174 -4.4174 -4.2230 -4.2230 -2.9233 -2.9233 -2.6597 -2.6597 -2.3639 -2.3639 -2.2282 -2.2282 -1.7688 -1.7688 -1.4033 -1.4033 -1.2263 -1.2263 -1.2201 -1.2201 -1.0379 -1.0379 -0.9176 -0.9176 -0.8688 -0.8688 -0.7573 -0.7573 -0.7513 -0.7513 -0.6659 -0.6659 5.0419 5.0419 k = 0.1196 0.1813-0.0000 ( 6355 PWs) bands (ev): -19.9079 -19.9079 -19.8489 -19.8489 -18.4223 -18.4223 -18.4116 -18.4116 -12.7164 -12.7164 -12.6625 -12.6625 -8.8778 -8.8778 -8.6258 -8.6258 -6.1026 -6.1026 -5.0136 -5.0136 -4.7873 -4.7873 -4.6591 -4.6591 -4.4117 -4.4117 -4.2229 -4.2229 -2.9167 -2.9167 -2.6682 -2.6682 -2.3610 -2.3610 -2.2467 -2.2467 -1.7662 -1.7662 -1.4001 -1.4001 -1.2273 -1.2273 -1.2226 -1.2226 -1.0255 -1.0255 -0.9117 -0.9117 -0.8705 -0.8705 -0.7579 -0.7579 -0.7416 -0.7416 -0.6729 -0.6729 5.1234 5.1234 k = 0.1316 0.1994-0.0000 ( 6349 PWs) bands (ev): -19.9064 -19.9064 -19.8504 -19.8504 -18.4232 -18.4232 -18.4110 -18.4110 -12.7147 -12.7147 -12.6639 -12.6639 -8.8715 -8.8715 -8.6368 -8.6368 -6.0655 -6.0655 -5.0488 -5.0488 -4.7970 -4.7970 -4.6588 -4.6588 -4.4055 -4.4055 -4.2228 -4.2228 -2.9096 -2.9096 -2.6773 -2.6773 -2.3579 -2.3579 -2.2661 -2.2661 -1.7635 -1.7635 -1.3971 -1.3971 -1.2320 -1.2320 -1.2214 -1.2214 -1.0125 -1.0125 -0.9052 -0.9052 -0.8720 -0.8720 -0.7588 -0.7588 -0.7314 -0.7314 -0.6804 -0.6804 5.2121 5.2121 k = 0.1436 0.2175-0.0000 ( 6339 PWs) bands (ev): -19.9047 -19.9047 -19.8519 -19.8519 -18.4240 -18.4240 -18.4104 -18.4104 -12.7129 -12.7129 -12.6654 -12.6654 -8.8645 -8.8645 -8.6484 -8.6484 -6.0258 -6.0258 -5.0872 -5.0872 -4.8064 -4.8064 -4.6584 -4.6584 -4.3989 -4.3989 -4.2226 -4.2226 -2.9021 -2.9021 -2.6871 -2.6871 -2.3546 -2.3546 -2.2863 -2.2863 -1.7606 -1.7606 -1.3941 -1.3941 -1.2376 -1.2376 -1.2193 -1.2193 -0.9987 -0.9987 -0.8982 -0.8982 -0.8732 -0.8732 -0.7598 -0.7598 -0.7210 -0.7210 -0.6884 -0.6884 5.3076 5.3076 k = 0.1555 0.2356-0.0000 ( 6341 PWs) bands (ev): -19.9030 -19.9030 -19.8536 -19.8536 -18.4249 -18.4249 -18.4097 -18.4097 -12.7110 -12.7110 -12.6669 -12.6669 -8.8571 -8.8571 -8.6604 -8.6604 -5.9838 -5.9838 -5.1284 -5.1284 -4.8156 -4.8156 -4.6581 -4.6581 -4.3918 -4.3918 -4.2225 -4.2225 -2.8943 -2.8943 -2.6976 -2.6976 -2.3511 -2.3511 -2.3071 -2.3071 -1.7576 -1.7576 -1.3914 -1.3914 -1.2435 -1.2435 -1.2168 -1.2168 -0.9846 -0.9846 -0.8909 -0.8909 -0.8740 -0.8740 -0.7608 -0.7608 -0.7109 -0.7109 -0.6963 -0.6963 5.4095 5.4095 k = 0.1675 0.2538-0.0000 ( 6339 PWs) bands (ev): -19.9011 -19.9011 -19.8553 -19.8553 -18.4259 -18.4259 -18.4090 -18.4090 -12.7089 -12.7089 -12.6686 -12.6686 -8.8490 -8.8490 -8.6726 -8.6726 -5.9395 -5.9395 -5.1722 -5.1722 -4.8246 -4.8246 -4.6577 -4.6577 -4.3844 -4.3844 -4.2224 -4.2224 -2.8861 -2.8861 -2.7085 -2.7085 -2.3476 -2.3476 -2.3283 -2.3283 -1.7545 -1.7545 -1.3888 -1.3888 -1.2495 -1.2495 -1.2139 -1.2139 -0.9700 -0.9700 -0.8840 -0.8840 -0.8737 -0.8737 -0.7618 -0.7618 -0.7084 -0.7084 -0.6969 -0.6969 5.5173 5.5173 k = 0.1794 0.2719-0.0000 ( 6327 PWs) bands (ev): -19.8992 -19.8992 -19.8571 -19.8571 -18.4269 -18.4269 -18.4083 -18.4083 -12.7068 -12.7068 -12.6703 -12.6703 -8.8404 -8.8404 -8.6851 -8.6851 -5.8934 -5.8934 -5.2180 -5.2180 -4.8335 -4.8335 -4.6572 -4.6572 -4.3766 -4.3766 -4.2222 -4.2222 -2.8776 -2.8776 -2.7200 -2.7200 -2.3502 -2.3502 -2.3436 -2.3436 -1.7512 -1.7512 -1.3865 -1.3865 -1.2557 -1.2557 -1.2106 -1.2106 -0.9553 -0.9553 -0.8801 -0.8801 -0.8696 -0.8696 -0.7627 -0.7627 -0.7169 -0.7169 -0.6869 -0.6869 5.6305 5.6305 k = 0.1914 0.2900-0.0000 ( 6327 PWs) bands (ev): -19.8972 -19.8972 -19.8590 -19.8590 -18.4280 -18.4280 -18.4075 -18.4075 -12.7046 -12.7046 -12.6720 -12.6720 -8.8313 -8.8313 -8.6976 -8.6976 -5.8455 -5.8455 -5.2656 -5.2656 -4.8423 -4.8423 -4.6567 -4.6567 -4.3685 -4.3685 -4.2221 -4.2221 -2.8690 -2.8690 -2.7319 -2.7319 -2.3717 -2.3717 -2.3401 -2.3401 -1.7479 -1.7479 -1.3843 -1.3843 -1.2620 -1.2620 -1.2070 -1.2070 -0.9406 -0.9406 -0.8796 -0.8796 -0.8616 -0.8616 -0.7636 -0.7636 -0.7266 -0.7266 -0.6760 -0.6760 5.7485 5.7485 k = 0.2034 0.3081-0.0000 ( 6328 PWs) bands (ev): -19.8951 -19.8951 -19.8609 -19.8609 -18.4290 -18.4290 -18.4067 -18.4067 -12.7023 -12.7023 -12.6739 -12.6739 -8.8218 -8.8218 -8.7101 -8.7101 -5.7961 -5.7961 -5.3147 -5.3147 -4.8511 -4.8511 -4.6562 -4.6562 -4.3602 -4.3602 -4.2219 -4.2219 -2.8601 -2.8601 -2.7443 -2.7443 -2.3934 -2.3934 -2.3363 -2.3363 -1.7446 -1.7446 -1.3823 -1.3823 -1.2682 -1.2682 -1.2031 -1.2031 -0.9260 -0.9260 -0.8799 -0.8799 -0.8521 -0.8521 -0.7643 -0.7643 -0.7369 -0.7369 -0.6649 -0.6649 5.8705 5.8705 k = 0.2153 0.3263-0.0000 ( 6328 PWs) bands (ev): -19.8930 -19.8930 -19.8629 -19.8629 -18.4301 -18.4301 -18.4059 -18.4059 -12.7000 -12.7000 -12.6757 -12.6757 -8.8117 -8.8117 -8.7226 -8.7226 -5.7456 -5.7456 -5.3648 -5.3648 -4.8599 -4.8599 -4.6557 -4.6557 -4.3517 -4.3517 -4.2218 -4.2218 -2.8511 -2.8511 -2.7569 -2.7569 -2.4149 -2.4149 -2.3325 -2.3325 -1.7412 -1.7412 -1.3805 -1.3805 -1.2745 -1.2745 -1.1989 -1.1989 -0.9116 -0.9116 -0.8804 -0.8804 -0.8419 -0.8419 -0.7648 -0.7648 -0.7474 -0.7474 -0.6539 -0.6539 5.9953 5.9953 k = 0.2273 0.3444-0.0000 ( 6322 PWs) bands (ev): -19.8909 -19.8909 -19.8649 -19.8649 -18.4313 -18.4313 -18.4051 -18.4051 -12.6977 -12.6977 -12.6776 -12.6776 -8.8012 -8.8012 -8.7349 -8.7349 -5.6940 -5.6940 -5.4156 -5.4156 -4.8686 -4.8686 -4.6551 -4.6551 -4.3429 -4.3429 -4.2216 -4.2216 -2.8420 -2.8420 -2.7698 -2.7698 -2.4363 -2.4363 -2.3287 -2.3287 -1.7379 -1.7379 -1.3788 -1.3788 -1.2808 -1.2808 -1.1943 -1.1943 -0.8977 -0.8977 -0.8808 -0.8808 -0.8313 -0.8313 -0.7651 -0.7651 -0.7582 -0.7582 -0.6428 -0.6428 6.0599 6.0600 k = 0.2393 0.3625-0.0000 ( 6310 PWs) bands (ev): -19.8887 -19.8887 -19.8669 -19.8669 -18.4324 -18.4324 -18.4043 -18.4043 -12.6953 -12.6953 -12.6795 -12.6795 -8.7903 -8.7903 -8.7471 -8.7471 -5.6416 -5.6416 -5.4670 -5.4670 -4.8772 -4.8772 -4.6546 -4.6546 -4.3341 -4.3341 -4.2215 -4.2215 -2.8328 -2.8328 -2.7830 -2.7830 -2.4574 -2.4574 -2.3250 -2.3250 -1.7345 -1.7345 -1.3773 -1.3773 -1.2870 -1.2870 -1.1894 -1.1894 -0.8845 -0.8845 -0.8811 -0.8811 -0.8202 -0.8202 -0.7701 -0.7701 -0.7642 -0.7642 -0.6319 -0.6319 6.0153 6.0153 k = 0.2512 0.3807-0.0000 ( 6304 PWs) bands (ev): -19.8865 -19.8865 -19.8690 -19.8690 -18.4335 -18.4335 -18.4035 -18.4035 -12.6929 -12.6929 -12.6815 -12.6815 -8.7790 -8.7790 -8.7589 -8.7589 -5.5888 -5.5888 -5.5185 -5.5185 -4.8857 -4.8857 -4.6541 -4.6541 -4.3252 -4.3252 -4.2213 -4.2213 -2.8236 -2.8236 -2.7963 -2.7963 -2.4781 -2.4781 -2.3212 -2.3212 -1.7312 -1.7312 -1.3760 -1.3760 -1.2931 -1.2931 -1.1843 -1.1843 -0.8818 -0.8818 -0.8717 -0.8717 -0.8088 -0.8088 -0.7812 -0.7812 -0.7637 -0.7637 -0.6212 -0.6212 5.9707 5.9707 k = 0.2632 0.3988-0.0000 ( 6314 PWs) bands (ev): -19.8843 -19.8843 -19.8710 -19.8710 -18.4347 -18.4347 -18.4027 -18.4027 -12.6905 -12.6905 -12.6834 -12.6834 -8.7705 -8.7705 -8.7674 -8.7674 -5.5699 -5.5699 -5.5357 -5.5357 -4.8942 -4.8942 -4.6535 -4.6535 -4.3163 -4.3163 -4.2212 -4.2212 -2.8145 -2.8145 -2.8097 -2.8097 -2.4983 -2.4983 -2.3176 -2.3176 -1.7280 -1.7280 -1.3747 -1.3747 -1.2991 -1.2991 -1.1789 -1.1789 -0.8821 -0.8821 -0.8602 -0.8602 -0.7972 -0.7972 -0.7928 -0.7928 -0.7624 -0.7624 -0.6106 -0.6106 5.9266 5.9266 k = 0.2752 0.4169-0.0000 ( 6322 PWs) bands (ev): -19.8821 -19.8821 -19.8730 -19.8730 -18.4358 -18.4358 -18.4019 -18.4019 -12.6882 -12.6882 -12.6853 -12.6853 -8.7816 -8.7816 -8.7556 -8.7556 -5.6209 -5.6209 -5.4825 -5.4825 -4.9025 -4.9025 -4.6531 -4.6531 -4.3074 -4.3074 -4.2211 -4.2211 -2.8231 -2.8231 -2.8054 -2.8054 -2.5180 -2.5180 -2.3141 -2.3141 -1.7249 -1.7249 -1.3736 -1.3736 -1.3049 -1.3049 -1.1732 -1.1732 -0.8824 -0.8824 -0.8499 -0.8499 -0.8044 -0.8044 -0.7855 -0.7855 -0.7602 -0.7602 -0.6003 -0.6003 5.8831 5.8831 k = 0.2871 0.4350-0.0000 ( 6316 PWs) bands (ev): -19.8800 -19.8800 -19.8750 -19.8750 -18.4369 -18.4369 -18.4011 -18.4011 -12.6872 -12.6872 -12.6858 -12.6858 -8.7924 -8.7924 -8.7436 -8.7436 -5.6713 -5.6713 -5.4297 -5.4297 -4.9107 -4.9107 -4.6526 -4.6526 -4.2986 -4.2986 -4.2210 -4.2210 -2.8365 -2.8365 -2.7964 -2.7964 -2.5370 -2.5370 -2.3106 -2.3106 -1.7218 -1.7218 -1.3726 -1.3726 -1.3106 -1.3106 -1.1672 -1.1672 -0.8827 -0.8827 -0.8412 -0.8412 -0.8160 -0.8160 -0.7738 -0.7738 -0.7568 -0.7568 -0.5902 -0.5902 5.8405 5.8405 k = 0.2991 0.4532-0.0000 ( 6316 PWs) bands (ev): -19.8779 -19.8779 -19.8770 -19.8770 -18.4380 -18.4380 -18.4003 -18.4003 -12.6890 -12.6890 -12.6835 -12.6835 -8.8027 -8.8027 -8.7314 -8.7314 -5.7207 -5.7207 -5.3773 -5.3773 -4.9186 -4.9186 -4.6522 -4.6522 -4.2900 -4.2900 -4.2208 -4.2208 -2.8499 -2.8499 -2.7876 -2.7876 -2.5553 -2.5553 -2.3073 -2.3073 -1.7189 -1.7189 -1.3718 -1.3718 -1.3161 -1.3161 -1.1610 -1.1610 -0.8829 -0.8829 -0.8354 -0.8354 -0.8263 -0.8263 -0.7626 -0.7626 -0.7520 -0.7520 -0.5804 -0.5804 5.7990 5.7990 k = 0.3110 0.4713-0.0000 ( 6318 PWs) bands (ev): -19.8789 -19.8789 -19.8758 -19.8758 -18.4390 -18.4390 -18.3995 -18.3995 -12.6908 -12.6908 -12.6813 -12.6813 -8.8126 -8.8126 -8.7191 -8.7191 -5.7690 -5.7690 -5.3257 -5.3257 -4.9264 -4.9264 -4.6519 -4.6519 -4.2815 -4.2815 -4.2207 -4.2207 -2.8630 -2.8630 -2.7790 -2.7790 -2.5729 -2.5729 -2.3041 -2.3041 -1.7161 -1.7161 -1.3710 -1.3710 -1.3213 -1.3213 -1.1545 -1.1545 -0.8831 -0.8831 -0.8418 -0.8418 -0.8259 -0.8259 -0.7528 -0.7528 -0.7447 -0.7447 -0.5709 -0.5709 5.7587 5.7587 k = 0.3230 0.4894-0.0000 ( 6332 PWs) bands (ev): -19.8807 -19.8807 -19.8738 -19.8738 -18.4401 -18.4401 -18.3988 -18.3988 -12.6925 -12.6925 -12.6792 -12.6792 -8.8220 -8.8220 -8.7069 -8.7069 -5.8158 -5.8158 -5.2752 -5.2752 -4.9338 -4.9338 -4.6517 -4.6517 -4.2732 -4.2732 -4.2207 -4.2207 -2.8760 -2.8760 -2.7706 -2.7706 -2.5896 -2.5896 -2.3011 -2.3011 -1.7135 -1.7135 -1.3702 -1.3702 -1.3264 -1.3264 -1.1478 -1.1478 -0.8832 -0.8832 -0.8534 -0.8534 -0.8219 -0.8219 -0.7449 -0.7449 -0.7349 -0.7349 -0.5618 -0.5618 5.7199 5.7199 k = 0.3350 0.5075-0.0000 ( 6334 PWs) bands (ev): -19.8825 -19.8825 -19.8719 -19.8719 -18.4411 -18.4411 -18.3980 -18.3980 -12.6942 -12.6942 -12.6771 -12.6771 -8.8308 -8.8308 -8.6948 -8.6948 -5.8610 -5.8610 -5.2260 -5.2260 -4.9410 -4.9410 -4.6516 -4.6516 -4.2653 -4.2653 -4.2206 -4.2206 -2.8887 -2.8887 -2.7625 -2.7625 -2.6055 -2.6055 -2.2983 -2.2983 -1.7110 -1.7110 -1.3696 -1.3696 -1.3311 -1.3311 -1.1409 -1.1409 -0.8834 -0.8834 -0.8652 -0.8652 -0.8188 -0.8188 -0.7377 -0.7377 -0.7239 -0.7239 -0.5531 -0.5531 5.6826 5.7050 k = 0.3469 0.5257-0.0000 ( 6336 PWs) bands (ev): -19.8842 -19.8842 -19.8700 -19.8700 -18.4420 -18.4420 -18.3973 -18.3973 -12.6958 -12.6958 -12.6751 -12.6751 -8.8391 -8.8391 -8.6828 -8.6828 -5.9043 -5.9043 -5.1783 -5.1783 -4.9478 -4.9478 -4.6517 -4.6517 -4.2576 -4.2576 -4.2205 -4.2205 -2.9010 -2.9010 -2.7547 -2.7547 -2.6205 -2.6205 -2.2956 -2.2956 -1.7086 -1.7086 -1.3690 -1.3690 -1.3356 -1.3356 -1.1338 -1.1338 -0.8838 -0.8838 -0.8768 -0.8768 -0.8165 -0.8165 -0.7305 -0.7305 -0.7129 -0.7129 -0.5448 -0.5448 5.6007 5.6007 k = 0.3589 0.5438-0.0000 ( 6336 PWs) bands (ev): -19.8858 -19.8858 -19.8682 -19.8682 -18.4429 -18.4429 -18.3967 -18.3967 -12.6974 -12.6974 -12.6732 -12.6732 -8.8468 -8.8468 -8.6712 -8.6712 -5.9455 -5.9455 -5.1326 -5.1326 -4.9542 -4.9542 -4.6519 -4.6519 -4.2504 -4.2504 -4.2204 -4.2204 -2.9128 -2.9128 -2.7473 -2.7473 -2.6345 -2.6345 -2.2930 -2.2930 -1.7064 -1.7064 -1.3685 -1.3685 -1.3398 -1.3398 -1.1265 -1.1265 -0.8900 -0.8900 -0.8827 -0.8827 -0.8148 -0.8148 -0.7234 -0.7234 -0.7021 -0.7021 -0.5370 -0.5370 5.4994 5.4994 k = 0.3589 0.5438-0.0000 ( 6336 PWs) bands (ev): -19.8858 -19.8858 -19.8682 -19.8682 -18.4429 -18.4429 -18.3967 -18.3967 -12.6974 -12.6974 -12.6732 -12.6732 -8.8468 -8.8468 -8.6712 -8.6712 -5.9455 -5.9455 -5.1326 -5.1326 -4.9542 -4.9542 -4.6519 -4.6519 -4.2504 -4.2504 -4.2204 -4.2204 -2.9128 -2.9128 -2.7473 -2.7473 -2.6345 -2.6345 -2.2930 -2.2930 -1.7064 -1.7064 -1.3685 -1.3685 -1.3398 -1.3398 -1.1265 -1.1265 -0.8900 -0.8900 -0.8827 -0.8827 -0.8148 -0.8148 -0.7234 -0.7234 -0.7021 -0.7021 -0.5370 -0.5370 5.4994 5.4994 k = 0.3378 0.5438-0.0000 ( 6335 PWs) bands (ev): -19.8850 -19.8850 -19.8691 -19.8691 -18.4424 -18.4424 -18.3971 -18.3971 -12.6966 -12.6966 -12.6742 -12.6742 -8.8428 -8.8428 -8.6773 -8.6773 -5.9239 -5.9239 -5.1567 -5.1567 -4.9504 -4.9504 -4.6521 -4.6521 -4.2541 -4.2541 -4.2206 -4.2206 -2.9066 -2.9066 -2.7512 -2.7512 -2.6264 -2.6264 -2.2943 -2.2943 -1.7069 -1.7069 -1.3700 -1.3700 -1.3374 -1.3374 -1.1304 -1.1304 -0.8854 -0.8854 -0.8814 -0.8814 -0.8155 -0.8155 -0.7273 -0.7273 -0.7078 -0.7078 -0.5414 -0.5414 5.5505 5.5505 k = 0.3167 0.5438-0.0000 ( 6326 PWs) bands (ev): -19.8843 -19.8843 -19.8700 -19.8700 -18.4417 -18.4417 -18.3976 -18.3976 -12.6959 -12.6959 -12.6752 -12.6752 -8.8386 -8.8386 -8.6834 -8.6834 -5.9021 -5.9021 -5.1812 -5.1812 -4.9457 -4.9457 -4.6534 -4.6534 -4.2575 -4.2575 -4.2212 -4.2212 -2.9003 -2.9003 -2.7553 -2.7553 -2.6167 -2.6167 -2.2954 -2.2954 -1.7062 -1.7062 -1.3738 -1.3738 -1.3345 -1.3345 -1.1342 -1.1342 -0.8854 -0.8854 -0.8764 -0.8764 -0.8159 -0.8159 -0.7314 -0.7314 -0.7133 -0.7133 -0.5465 -0.5465 5.5957 5.5957 k = 0.2956 0.5438-0.0000 ( 6326 PWs) bands (ev): -19.8836 -19.8836 -19.8708 -19.8708 -18.4408 -18.4408 -18.3983 -18.3983 -12.6952 -12.6952 -12.6761 -12.6761 -8.8345 -8.8345 -8.6896 -8.6896 -5.8801 -5.8801 -5.2059 -5.2059 -4.9400 -4.9400 -4.6557 -4.6557 -4.2606 -4.2606 -4.2220 -4.2220 -2.8941 -2.8941 -2.7595 -2.7595 -2.6056 -2.6056 -2.2964 -2.2964 -1.7044 -1.7044 -1.3799 -1.3799 -1.3311 -1.3311 -1.1380 -1.1380 -0.8872 -0.8872 -0.8710 -0.8710 -0.8158 -0.8158 -0.7355 -0.7355 -0.7185 -0.7185 -0.5522 -0.5522 5.6313 5.6313 k = 0.2744 0.5438-0.0000 ( 6322 PWs) bands (ev): -19.8829 -19.8829 -19.8716 -19.8716 -18.4398 -18.4398 -18.3991 -18.3991 -12.6945 -12.6945 -12.6771 -12.6771 -8.8302 -8.8302 -8.6956 -8.6956 -5.8578 -5.8578 -5.2307 -5.2307 -4.9334 -4.9334 -4.6591 -4.6591 -4.2633 -4.2633 -4.2231 -4.2231 -2.8880 -2.8880 -2.7638 -2.7638 -2.5931 -2.5931 -2.2977 -2.2977 -1.7014 -1.7014 -1.3880 -1.3880 -1.3272 -1.3272 -1.1419 -1.1419 -0.8898 -0.8898 -0.8663 -0.8663 -0.8150 -0.8150 -0.7392 -0.7392 -0.7234 -0.7234 -0.5586 -0.5586 5.6604 5.6604 k = 0.2533 0.5438-0.0000 ( 6320 PWs) bands (ev): -19.8823 -19.8823 -19.8723 -19.8723 -18.4387 -18.4387 -18.4000 -18.4000 -12.6939 -12.6939 -12.6780 -12.6780 -8.8259 -8.8259 -8.7017 -8.7017 -5.8354 -5.8354 -5.2558 -5.2558 -4.9260 -4.9260 -4.6636 -4.6636 -4.2656 -4.2656 -4.2245 -4.2245 -2.8820 -2.8820 -2.7681 -2.7681 -2.5793 -2.5793 -2.2991 -2.2991 -1.6973 -1.6973 -1.3979 -1.3979 -1.3228 -1.3228 -1.1461 -1.1461 -0.8929 -0.8929 -0.8631 -0.8631 -0.8131 -0.8131 -0.7425 -0.7425 -0.7278 -0.7278 -0.5655 -0.5655 5.6876 5.6876 k = 0.2322 0.5438-0.0000 ( 6322 PWs) bands (ev): -19.8818 -19.8818 -19.8730 -19.8730 -18.4375 -18.4375 -18.4010 -18.4010 -12.6933 -12.6933 -12.6789 -12.6789 -8.8215 -8.8215 -8.7076 -8.7076 -5.8128 -5.8128 -5.2809 -5.2809 -4.9178 -4.9178 -4.6693 -4.6693 -4.2672 -4.2672 -4.2262 -4.2262 -2.8761 -2.8761 -2.7724 -2.7724 -2.5645 -2.5645 -2.3010 -2.3010 -1.6921 -1.6921 -1.4094 -1.4094 -1.3180 -1.3180 -1.1506 -1.1506 -0.8964 -0.8964 -0.8617 -0.8617 -0.8100 -0.8100 -0.7449 -0.7449 -0.7318 -0.7318 -0.5730 -0.5730 5.7150 5.7150 k = 0.2111 0.5438-0.0000 ( 6320 PWs) bands (ev): -19.8813 -19.8813 -19.8736 -19.8736 -18.4361 -18.4361 -18.4021 -18.4021 -12.6927 -12.6927 -12.6798 -12.6798 -8.8171 -8.8171 -8.7136 -8.7136 -5.7900 -5.7900 -5.3061 -5.3061 -4.9088 -4.9088 -4.6761 -4.6761 -4.2683 -4.2683 -4.2280 -4.2280 -2.8703 -2.8703 -2.7768 -2.7768 -2.5488 -2.5488 -2.3033 -2.3033 -1.6859 -1.6859 -1.4222 -1.4222 -1.3126 -1.3126 -1.1557 -1.1557 -0.8999 -0.8999 -0.8621 -0.8621 -0.8059 -0.8059 -0.7464 -0.7464 -0.7352 -0.7352 -0.5810 -0.5810 5.7434 5.7434 k = 0.1900 0.5438-0.0000 ( 6323 PWs) bands (ev): -19.8808 -19.8808 -19.8742 -19.8742 -18.4346 -18.4346 -18.4034 -18.4034 -12.6921 -12.6921 -12.6807 -12.6807 -8.8125 -8.8125 -8.7194 -8.7194 -5.7671 -5.7671 -5.3312 -5.3312 -4.8991 -4.8991 -4.6840 -4.6840 -4.2689 -4.2689 -4.2301 -4.2301 -2.8647 -2.8647 -2.7812 -2.7812 -2.5323 -2.5323 -2.3064 -2.3064 -1.6788 -1.6788 -1.4361 -1.4361 -1.3068 -1.3068 -1.1613 -1.1613 -0.9034 -0.9034 -0.8641 -0.8641 -0.8012 -0.8012 -0.7470 -0.7470 -0.7378 -0.7378 -0.5895 -0.5895 5.7728 5.7728 k = 0.1689 0.5438-0.0000 ( 6329 PWs) bands (ev): -19.8804 -19.8804 -19.8747 -19.8747 -18.4331 -18.4331 -18.4047 -18.4047 -12.6916 -12.6916 -12.6815 -12.6815 -8.8080 -8.8080 -8.7252 -8.7252 -5.7440 -5.7440 -5.3564 -5.3564 -4.8887 -4.8887 -4.6930 -4.6930 -4.2689 -4.2689 -4.2324 -4.2324 -2.8592 -2.8592 -2.7856 -2.7856 -2.5153 -2.5153 -2.3103 -2.3103 -1.6707 -1.6707 -1.4509 -1.4509 -1.3005 -1.3005 -1.1675 -1.1675 -0.9066 -0.9066 -0.8675 -0.8675 -0.7963 -0.7963 -0.7476 -0.7476 -0.7384 -0.7384 -0.5985 -0.5985 5.8034 5.8034 k = 0.1478 0.5438-0.0000 ( 6333 PWs) bands (ev): -19.8800 -19.8800 -19.8752 -19.8752 -18.4314 -18.4314 -18.4062 -18.4062 -12.6911 -12.6911 -12.6823 -12.6823 -8.8033 -8.8033 -8.7310 -8.7310 -5.7208 -5.7208 -5.3815 -5.3815 -4.8777 -4.8777 -4.7029 -4.7029 -4.2683 -4.2683 -4.2348 -4.2348 -2.8539 -2.8539 -2.7899 -2.7899 -2.4980 -2.4980 -2.3151 -2.3151 -1.6617 -1.6617 -1.4662 -1.4662 -1.2938 -1.2938 -1.1744 -1.1744 -0.9092 -0.9092 -0.8718 -0.8718 -0.7917 -0.7917 -0.7491 -0.7491 -0.7362 -0.7362 -0.6078 -0.6078 5.8349 5.8349 k = 0.1267 0.5438-0.0000 ( 6337 PWs) bands (ev): -19.8797 -19.8797 -19.8757 -19.8757 -18.4297 -18.4297 -18.4078 -18.4078 -12.6905 -12.6905 -12.6831 -12.6831 -8.7986 -8.7986 -8.7366 -8.7366 -5.6975 -5.6975 -5.4066 -5.4066 -4.8662 -4.8662 -4.7136 -4.7136 -4.2673 -4.2673 -4.2373 -4.2373 -2.8488 -2.8488 -2.7943 -2.7943 -2.4805 -2.4805 -2.3210 -2.3210 -1.6519 -1.6519 -1.4820 -1.4820 -1.2865 -1.2865 -1.1819 -1.1819 -0.9113 -0.9113 -0.8767 -0.8767 -0.7874 -0.7874 -0.7513 -0.7513 -0.7314 -0.7314 -0.6174 -0.6174 5.8672 5.8672 k = 0.1056 0.5438-0.0000 ( 6330 PWs) bands (ev): -19.8793 -19.8793 -19.8761 -19.8761 -18.4279 -18.4279 -18.4094 -18.4094 -12.6900 -12.6900 -12.6839 -12.6839 -8.7938 -8.7938 -8.7422 -8.7422 -5.6740 -5.6740 -5.4315 -5.4315 -4.8541 -4.8541 -4.7251 -4.7251 -4.2658 -4.2658 -4.2400 -4.2400 -2.8438 -2.8438 -2.7986 -2.7986 -2.4630 -2.4630 -2.3282 -2.3282 -1.6412 -1.6412 -1.4981 -1.4981 -1.2788 -1.2788 -1.1899 -1.1899 -0.9125 -0.9125 -0.8819 -0.8819 -0.7835 -0.7835 -0.7539 -0.7539 -0.7248 -0.7248 -0.6273 -0.6273 5.9002 5.9002 k = 0.0844 0.5438-0.0000 ( 6330 PWs) bands (ev): -19.8790 -19.8790 -19.8765 -19.8765 -18.4260 -18.4260 -18.4111 -18.4111 -12.6895 -12.6895 -12.6846 -12.6846 -8.7890 -8.7890 -8.7477 -8.7477 -5.6504 -5.6504 -5.4564 -5.4564 -4.8416 -4.8416 -4.7371 -4.7371 -4.2640 -4.2640 -4.2428 -4.2428 -2.8389 -2.8389 -2.8030 -2.8030 -2.4457 -2.4457 -2.3365 -2.3365 -1.6297 -1.6297 -1.5142 -1.5142 -1.2706 -1.2706 -1.1984 -1.1984 -0.9129 -0.9129 -0.8873 -0.8873 -0.7800 -0.7800 -0.7565 -0.7565 -0.7169 -0.7169 -0.6374 -0.6374 5.9335 5.9335 k = 0.0633 0.5438-0.0000 ( 6334 PWs) bands (ev): -19.8787 -19.8787 -19.8769 -19.8769 -18.4241 -18.4241 -18.4129 -18.4129 -12.6889 -12.6889 -12.6853 -12.6853 -8.7841 -8.7841 -8.7531 -8.7531 -5.6266 -5.6266 -5.4811 -5.4811 -4.8288 -4.8288 -4.7497 -4.7497 -4.2618 -4.2618 -4.2456 -4.2456 -2.8342 -2.8342 -2.8073 -2.8073 -2.4289 -2.4289 -2.3462 -2.3462 -1.6174 -1.6174 -1.5302 -1.5302 -1.2621 -1.2621 -1.2072 -1.2072 -0.9125 -0.9125 -0.8925 -0.8925 -0.7767 -0.7767 -0.7592 -0.7592 -0.7082 -0.7082 -0.6477 -0.6477 5.9671 5.9671 k = 0.0422 0.5438-0.0000 ( 6344 PWs) bands (ev): -19.8784 -19.8784 -19.8772 -19.8772 -18.4222 -18.4222 -18.4147 -18.4147 -12.6884 -12.6884 -12.6859 -12.6859 -8.7791 -8.7791 -8.7584 -8.7584 -5.6027 -5.6027 -5.5057 -5.5057 -4.8157 -4.8157 -4.7626 -4.7626 -4.2595 -4.2595 -4.2485 -4.2485 -2.8295 -2.8295 -2.8117 -2.8117 -2.4127 -2.4127 -2.3572 -2.3572 -1.6044 -1.6044 -1.5460 -1.5460 -1.2533 -1.2533 -1.2163 -1.2163 -0.9111 -0.9111 -0.8974 -0.8974 -0.7736 -0.7736 -0.7620 -0.7620 -0.6987 -0.6987 -0.6580 -0.6580 6.0006 6.0006 k = 0.0211 0.5438-0.0000 ( 6342 PWs) bands (ev): -19.8781 -19.8781 -19.8775 -19.8775 -18.4203 -18.4203 -18.4165 -18.4165 -12.6878 -12.6878 -12.6866 -12.6866 -8.7740 -8.7740 -8.7637 -8.7637 -5.5787 -5.5787 -5.5302 -5.5302 -4.8025 -4.8025 -4.7758 -4.7758 -4.2569 -4.2569 -4.2513 -4.2513 -2.8250 -2.8250 -2.8161 -2.8161 -2.3972 -2.3972 -2.3694 -2.3694 -1.5906 -1.5906 -1.5613 -1.5613 -1.2442 -1.2442 -1.2256 -1.2256 -0.9088 -0.9088 -0.9019 -0.9019 -0.7706 -0.7706 -0.7648 -0.7648 -0.6889 -0.6889 -0.6684 -0.6684 6.0339 6.0339 k = 0.0000 0.5438-0.0000 ( 6340 PWs) bands (ev): -19.8778 -19.8778 -19.8778 -19.8778 -18.4184 -18.4184 -18.4184 -18.4184 -12.6872 -12.6872 -12.6872 -12.6872 -8.7689 -8.7689 -8.7689 -8.7689 -5.5545 -5.5545 -5.5545 -5.5545 -4.7891 -4.7891 -4.7891 -4.7891 -4.2542 -4.2542 -4.2542 -4.2542 -2.8205 -2.8205 -2.8205 -2.8205 -2.3828 -2.3828 -2.3828 -2.3828 -1.5763 -1.5763 -1.5763 -1.5763 -1.2349 -1.2349 -1.2349 -1.2349 -0.9057 -0.9057 -0.9057 -0.9057 -0.7677 -0.7677 -0.7677 -0.7677 -0.6787 -0.6787 -0.6787 -0.6787 6.0666 6.0666 k = 0.0000 0.5438-0.0000 ( 6340 PWs) bands (ev): -19.8778 -19.8778 -19.8778 -19.8778 -18.4184 -18.4184 -18.4184 -18.4184 -12.6872 -12.6872 -12.6872 -12.6872 -8.7689 -8.7689 -8.7689 -8.7689 -5.5545 -5.5545 -5.5545 -5.5545 -4.7891 -4.7891 -4.7891 -4.7891 -4.2542 -4.2542 -4.2542 -4.2542 -2.8205 -2.8205 -2.8205 -2.8205 -2.3828 -2.3828 -2.3828 -2.3828 -1.5763 -1.5763 -1.5763 -1.5763 -1.2349 -1.2349 -1.2349 -1.2349 -0.9057 -0.9057 -0.9057 -0.9057 -0.7677 -0.7677 -0.7677 -0.7677 -0.6787 -0.6787 -0.6787 -0.6787 6.0666 6.0666 k = 0.0000 0.5438 0.0216 ( 6346 PWs) bands (ev): -19.8777 -19.8777 -19.8777 -19.8777 -18.4184 -18.4184 -18.4184 -18.4184 -12.6871 -12.6871 -12.6871 -12.6871 -8.7695 -8.7695 -8.7695 -8.7695 -5.5540 -5.5540 -5.5540 -5.5540 -4.7900 -4.7900 -4.7899 -4.7899 -4.2545 -4.2545 -4.2544 -4.2544 -2.8188 -2.8188 -2.8188 -2.8188 -2.3827 -2.3827 -2.3827 -2.3827 -1.5771 -1.5771 -1.5767 -1.5767 -1.2363 -1.2363 -1.2355 -1.2355 -0.9058 -0.9058 -0.9056 -0.9056 -0.7679 -0.7679 -0.7677 -0.7677 -0.6790 -0.6790 -0.6786 -0.6786 6.0679 6.0681 k = 0.0000 0.5438 0.0432 ( 6344 PWs) bands (ev): -19.8775 -19.8775 -19.8775 -19.8775 -18.4183 -18.4183 -18.4183 -18.4183 -12.6870 -12.6870 -12.6870 -12.6870 -8.7712 -8.7712 -8.7712 -8.7712 -5.5527 -5.5527 -5.5527 -5.5527 -4.7925 -4.7925 -4.7923 -4.7923 -4.2555 -4.2555 -4.2554 -4.2554 -2.8137 -2.8137 -2.8136 -2.8136 -2.3824 -2.3824 -2.3824 -2.3824 -1.5792 -1.5792 -1.5785 -1.5785 -1.2395 -1.2395 -1.2380 -1.2380 -0.9059 -0.9059 -0.9055 -0.9055 -0.7685 -0.7685 -0.7681 -0.7681 -0.6793 -0.6793 -0.6785 -0.6785 6.0720 6.0722 k = 0.0000 0.5438 0.0647 ( 6338 PWs) bands (ev): -19.8770 -19.8770 -19.8770 -19.8770 -18.4181 -18.4181 -18.4181 -18.4181 -12.6867 -12.6867 -12.6867 -12.6867 -8.7741 -8.7741 -8.7741 -8.7741 -5.5505 -5.5505 -5.5504 -5.5504 -4.7965 -4.7965 -4.7963 -4.7963 -4.2572 -4.2572 -4.2569 -4.2569 -2.8052 -2.8052 -2.8051 -2.8051 -2.3819 -2.3819 -2.3819 -2.3819 -1.5826 -1.5826 -1.5815 -1.5815 -1.2446 -1.2446 -1.2424 -1.2424 -0.9060 -0.9060 -0.9053 -0.9053 -0.7693 -0.7693 -0.7688 -0.7688 -0.6797 -0.6797 -0.6786 -0.6786 6.0786 6.0786 k = 0.0000 0.5438 0.0863 ( 6338 PWs) bands (ev): -19.8764 -19.8764 -19.8764 -19.8764 -18.4179 -18.4179 -18.4179 -18.4179 -12.6863 -12.6863 -12.6863 -12.6863 -8.7782 -8.7782 -8.7782 -8.7782 -5.5473 -5.5473 -5.5473 -5.5473 -4.8021 -4.8021 -4.8019 -4.8019 -4.2595 -4.2595 -4.2591 -4.2591 -2.7936 -2.7936 -2.7934 -2.7934 -2.3812 -2.3812 -2.3812 -2.3812 -1.5871 -1.5871 -1.5857 -1.5857 -1.2516 -1.2516 -1.2488 -1.2488 -0.9061 -0.9061 -0.9053 -0.9053 -0.7705 -0.7705 -0.7698 -0.7698 -0.6802 -0.6802 -0.6787 -0.6787 6.0872 6.0872 k = 0.0000 0.5438 0.1079 ( 6340 PWs) bands (ev): -19.8756 -19.8756 -19.8756 -19.8756 -18.4176 -18.4176 -18.4176 -18.4176 -12.6858 -12.6858 -12.6858 -12.6858 -8.7834 -8.7834 -8.7833 -8.7833 -5.5433 -5.5433 -5.5432 -5.5432 -4.8091 -4.8091 -4.8088 -4.8088 -4.2624 -4.2624 -4.2619 -4.2619 -2.7789 -2.7789 -2.7787 -2.7787 -2.3803 -2.3803 -2.3802 -2.3802 -1.5929 -1.5929 -1.5911 -1.5911 -1.2604 -1.2604 -1.2570 -1.2570 -0.9063 -0.9063 -0.9053 -0.9053 -0.7719 -0.7719 -0.7711 -0.7711 -0.6807 -0.6807 -0.6788 -0.6788 6.0961 6.0965 k = 0.0000 0.5438 0.1295 ( 6342 PWs) bands (ev): -19.8746 -19.8746 -19.8746 -19.8746 -18.4172 -18.4172 -18.4172 -18.4172 -12.6853 -12.6853 -12.6853 -12.6853 -8.7896 -8.7896 -8.7896 -8.7896 -5.5384 -5.5384 -5.5383 -5.5383 -4.8173 -4.8173 -4.8169 -4.8169 -4.2658 -4.2658 -4.2653 -4.2653 -2.7615 -2.7615 -2.7612 -2.7612 -2.3791 -2.3791 -2.3790 -2.3790 -1.5996 -1.5996 -1.5976 -1.5976 -1.2710 -1.2710 -1.2670 -1.2670 -0.9065 -0.9065 -0.9054 -0.9054 -0.7736 -0.7736 -0.7726 -0.7726 -0.6812 -0.6812 -0.6790 -0.6790 6.1043 6.1054 k = 0.0000 0.5438 0.1511 ( 6338 PWs) bands (ev): -19.8735 -19.8735 -19.8735 -19.8735 -18.4167 -18.4167 -18.4167 -18.4167 -12.6846 -12.6846 -12.6846 -12.6846 -8.7969 -8.7969 -8.7969 -8.7969 -5.5327 -5.5327 -5.5326 -5.5326 -4.8266 -4.8266 -4.8262 -4.8262 -4.2699 -4.2699 -4.2693 -4.2693 -2.7415 -2.7415 -2.7412 -2.7412 -2.3776 -2.3776 -2.3775 -2.3775 -1.6074 -1.6074 -1.6050 -1.6050 -1.2834 -1.2834 -1.2789 -1.2789 -0.9069 -0.9069 -0.9057 -0.9057 -0.7756 -0.7756 -0.7744 -0.7744 -0.6816 -0.6816 -0.6792 -0.6792 6.1098 6.1101 k = 0.0000 0.5438 0.1726 ( 6332 PWs) bands (ev): -19.8722 -19.8722 -19.8722 -19.8722 -18.4162 -18.4162 -18.4162 -18.4162 -12.6838 -12.6838 -12.6838 -12.6838 -8.8051 -8.8051 -8.8051 -8.8051 -5.5261 -5.5261 -5.5260 -5.5260 -4.8369 -4.8369 -4.8365 -4.8365 -4.2745 -4.2745 -4.2738 -4.2738 -2.7194 -2.7194 -2.7190 -2.7190 -2.3758 -2.3758 -2.3756 -2.3756 -1.6161 -1.6161 -1.6134 -1.6134 -1.2975 -1.2975 -1.2926 -1.2926 -0.9075 -0.9075 -0.9063 -0.9063 -0.7777 -0.7777 -0.7765 -0.7765 -0.6821 -0.6821 -0.6793 -0.6793 6.1058 6.1065 k = 0.0000 0.5438 0.1942 ( 6326 PWs) bands (ev): -19.8708 -19.8708 -19.8708 -19.8708 -18.4157 -18.4157 -18.4157 -18.4157 -12.6830 -12.6830 -12.6829 -12.6829 -8.8143 -8.8143 -8.8143 -8.8143 -5.5187 -5.5187 -5.5185 -5.5185 -4.8480 -4.8480 -4.8475 -4.8475 -4.2796 -4.2796 -4.2788 -4.2788 -2.6955 -2.6955 -2.6950 -2.6950 -2.3735 -2.3735 -2.3732 -2.3732 -1.6255 -1.6255 -1.6225 -1.6225 -1.3133 -1.3133 -1.3079 -1.3079 -0.9083 -0.9083 -0.9071 -0.9071 -0.7800 -0.7800 -0.7787 -0.7787 -0.6824 -0.6824 -0.6794 -0.6794 6.0916 6.0931 k = 0.0000 0.5438 0.2158 ( 6332 PWs) bands (ev): -19.8692 -19.8692 -19.8692 -19.8692 -18.4151 -18.4151 -18.4151 -18.4151 -12.6820 -12.6820 -12.6820 -12.6820 -8.8245 -8.8245 -8.8244 -8.8244 -5.5105 -5.5105 -5.5103 -5.5103 -4.8597 -4.8597 -4.8592 -4.8592 -4.2851 -4.2851 -4.2844 -4.2844 -2.6701 -2.6701 -2.6695 -2.6695 -2.3706 -2.3706 -2.3703 -2.3703 -1.6357 -1.6357 -1.6324 -1.6324 -1.3306 -1.3306 -1.3249 -1.3249 -0.9094 -0.9094 -0.9082 -0.9082 -0.7825 -0.7825 -0.7811 -0.7811 -0.6826 -0.6826 -0.6794 -0.6794 6.0674 6.0677 k = 0.0000 0.5438 0.2374 ( 6340 PWs) bands (ev): -19.8675 -19.8675 -19.8675 -19.8675 -18.4144 -18.4144 -18.4144 -18.4144 -12.6810 -12.6810 -12.6810 -12.6810 -8.8354 -8.8354 -8.8354 -8.8354 -5.5015 -5.5015 -5.5013 -5.5013 -4.8719 -4.8719 -4.8714 -4.8714 -4.2912 -4.2912 -4.2903 -4.2903 -2.6438 -2.6438 -2.6431 -2.6431 -2.3670 -2.3670 -2.3666 -2.3666 -1.6465 -1.6465 -1.6429 -1.6429 -1.3494 -1.3494 -1.3434 -1.3434 -0.9109 -0.9109 -0.9097 -0.9097 -0.7851 -0.7851 -0.7836 -0.7836 -0.6827 -0.6827 -0.6794 -0.6794 6.0342 6.0347 k = 0.0000 0.5438 0.2590 ( 6342 PWs) bands (ev): -19.8657 -19.8657 -19.8657 -19.8657 -18.4137 -18.4137 -18.4137 -18.4137 -12.6799 -12.6799 -12.6799 -12.6799 -8.8471 -8.8471 -8.8471 -8.8471 -5.4918 -5.4918 -5.4916 -5.4916 -4.8845 -4.8845 -4.8838 -4.8838 -4.2976 -4.2976 -4.2967 -4.2967 -2.6170 -2.6170 -2.6162 -2.6162 -2.3625 -2.3625 -2.3619 -2.3619 -1.6577 -1.6577 -1.6539 -1.6539 -1.3696 -1.3696 -1.3633 -1.3633 -0.9127 -0.9127 -0.9116 -0.9116 -0.7878 -0.7878 -0.7861 -0.7861 -0.6827 -0.6827 -0.6792 -0.6792 5.9968 5.9976 k = 0.0000 0.5438 0.2806 ( 6342 PWs) bands (ev): -19.8638 -19.8638 -19.8638 -19.8638 -18.4130 -18.4130 -18.4130 -18.4130 -12.6787 -12.6787 -12.6787 -12.6787 -8.8594 -8.8594 -8.8594 -8.8594 -5.4813 -5.4813 -5.4811 -5.4811 -4.8972 -4.8972 -4.8965 -4.8965 -4.3044 -4.3044 -4.3035 -4.3035 -2.5904 -2.5904 -2.5894 -2.5894 -2.3567 -2.3567 -2.3560 -2.3560 -1.6694 -1.6694 -1.6653 -1.6653 -1.3911 -1.3911 -1.3845 -1.3845 -0.9149 -0.9149 -0.9138 -0.9138 -0.7904 -0.7904 -0.7888 -0.7888 -0.6826 -0.6826 -0.6789 -0.6789 5.9570 5.9572 k = 0.0000 0.5438 0.3021 ( 6342 PWs) bands (ev): -19.8618 -19.8618 -19.8618 -19.8618 -18.4122 -18.4122 -18.4122 -18.4122 -12.6775 -12.6775 -12.6775 -12.6775 -8.8724 -8.8724 -8.8724 -8.8724 -5.4702 -5.4702 -5.4700 -5.4700 -4.9099 -4.9099 -4.9093 -4.9093 -4.3116 -4.3116 -4.3106 -4.3106 -2.5647 -2.5647 -2.5635 -2.5635 -2.3492 -2.3492 -2.3483 -2.3483 -1.6814 -1.6814 -1.6770 -1.6770 -1.4137 -1.4137 -1.4069 -1.4069 -0.9174 -0.9174 -0.9165 -0.9165 -0.7931 -0.7931 -0.7914 -0.7914 -0.6823 -0.6823 -0.6785 -0.6785 5.9160 5.9162 k = 0.0000 0.5438 0.3237 ( 6344 PWs) bands (ev): -19.8597 -19.8597 -19.8597 -19.8597 -18.4114 -18.4114 -18.4114 -18.4114 -12.6763 -12.6763 -12.6763 -12.6763 -8.8859 -8.8859 -8.8858 -8.8858 -5.4585 -5.4585 -5.4582 -5.4582 -4.9227 -4.9227 -4.9220 -4.9220 -4.3191 -4.3191 -4.3180 -4.3180 -2.5406 -2.5406 -2.5392 -2.5392 -2.3395 -2.3395 -2.3384 -2.3384 -1.6937 -1.6937 -1.6890 -1.6890 -1.4373 -1.4373 -1.4304 -1.4304 -0.9204 -0.9204 -0.9196 -0.9196 -0.7957 -0.7957 -0.7940 -0.7940 -0.6819 -0.6819 -0.6780 -0.6780 5.8748 5.8750 k = 0.0000 0.5438 0.3453 ( 6350 PWs) bands (ev): -19.8575 -19.8575 -19.8575 -19.8575 -18.4105 -18.4105 -18.4105 -18.4105 -12.6750 -12.6750 -12.6750 -12.6750 -8.8998 -8.8998 -8.8998 -8.8998 -5.4461 -5.4461 -5.4459 -5.4459 -4.9352 -4.9352 -4.9345 -4.9345 -4.3268 -4.3268 -4.3257 -4.3257 -2.5188 -2.5188 -2.5172 -2.5172 -2.3271 -2.3271 -2.3258 -2.3258 -1.7061 -1.7061 -1.7012 -1.7012 -1.4618 -1.4618 -1.4546 -1.4546 -0.9237 -0.9237 -0.9230 -0.9230 -0.7983 -0.7983 -0.7965 -0.7965 -0.6814 -0.6814 -0.6775 -0.6775 5.8339 5.8340 k = 0.0000 0.5438 0.3669 ( 6342 PWs) bands (ev): -19.8552 -19.8552 -19.8552 -19.8552 -18.4096 -18.4096 -18.4096 -18.4096 -12.6737 -12.6737 -12.6737 -12.6737 -8.9140 -8.9140 -8.9140 -8.9140 -5.4333 -5.4333 -5.4330 -5.4330 -4.9476 -4.9476 -4.9468 -4.9468 -4.3347 -4.3347 -4.3336 -4.3336 -2.5001 -2.5001 -2.4983 -2.4983 -2.3117 -2.3117 -2.3102 -2.3102 -1.7187 -1.7187 -1.7135 -1.7135 -1.4869 -1.4869 -1.4795 -1.4795 -0.9273 -0.9273 -0.9267 -0.9267 -0.8007 -0.8007 -0.7989 -0.7989 -0.6808 -0.6808 -0.6768 -0.6768 5.7937 5.7938 k = 0.0000 0.5438 0.3885 ( 6344 PWs) bands (ev): -19.8530 -19.8530 -19.8530 -19.8530 -18.4088 -18.4088 -18.4088 -18.4088 -12.6723 -12.6723 -12.6723 -12.6723 -8.9285 -8.9285 -8.9285 -8.9285 -5.4199 -5.4199 -5.4196 -5.4196 -4.9596 -4.9596 -4.9588 -4.9588 -4.3427 -4.3427 -4.3416 -4.3416 -2.4846 -2.4846 -2.4827 -2.4827 -2.2931 -2.2931 -2.2914 -2.2914 -1.7315 -1.7315 -1.7260 -1.7260 -1.5125 -1.5125 -1.5049 -1.5049 -0.9311 -0.9311 -0.9307 -0.9307 -0.8031 -0.8031 -0.8012 -0.8012 -0.6801 -0.6801 -0.6761 -0.6761 5.7546 5.7546 k = 0.0000 0.5438 0.4100 ( 6350 PWs) bands (ev): -19.8506 -19.8506 -19.8506 -19.8506 -18.4079 -18.4079 -18.4079 -18.4079 -12.6709 -12.6709 -12.6709 -12.6709 -8.9432 -8.9432 -8.9432 -8.9432 -5.4061 -5.4061 -5.4059 -5.4059 -4.9712 -4.9712 -4.9704 -4.9704 -4.3509 -4.3509 -4.3497 -4.3497 -2.4724 -2.4724 -2.4704 -2.4704 -2.2717 -2.2717 -2.2700 -2.2700 -1.7443 -1.7443 -1.7385 -1.7385 -1.5382 -1.5382 -1.5305 -1.5305 -0.9353 -0.9353 -0.9349 -0.9349 -0.8053 -0.8053 -0.8034 -0.8034 -0.6794 -0.6794 -0.6754 -0.6754 5.7168 5.7169 k = 0.0000 0.5438 0.4316 ( 6350 PWs) bands (ev): -19.8483 -19.8483 -19.8483 -19.8483 -18.4070 -18.4070 -18.4070 -18.4070 -12.6696 -12.6696 -12.6696 -12.6696 -8.9580 -8.9580 -8.9580 -8.9580 -5.3920 -5.3920 -5.3918 -5.3918 -4.9824 -4.9824 -4.9816 -4.9816 -4.3592 -4.3592 -4.3580 -4.3580 -2.4629 -2.4629 -2.4609 -2.4609 -2.2481 -2.2481 -2.2463 -2.2463 -1.7572 -1.7572 -1.7511 -1.7511 -1.5640 -1.5640 -1.5561 -1.5561 -0.9396 -0.9396 -0.9393 -0.9393 -0.8073 -0.8073 -0.8055 -0.8055 -0.6787 -0.6787 -0.6747 -0.6747 5.6804 5.6805 k = 0.0000 0.5438 0.4532 ( 6348 PWs) bands (ev): -19.8460 -19.8460 -19.8460 -19.8460 -18.4061 -18.4061 -18.4061 -18.4061 -12.6682 -12.6682 -12.6682 -12.6682 -8.9727 -8.9727 -8.9727 -8.9727 -5.3776 -5.3776 -5.3774 -5.3774 -4.9932 -4.9932 -4.9924 -4.9924 -4.3674 -4.3674 -4.3662 -4.3662 -2.4557 -2.4557 -2.4538 -2.4538 -2.2230 -2.2230 -2.2213 -2.2213 -1.7703 -1.7703 -1.7639 -1.7639 -1.5895 -1.5895 -1.5814 -1.5814 -0.9439 -0.9439 -0.9439 -0.9439 -0.8092 -0.8092 -0.8074 -0.8074 -0.6780 -0.6780 -0.6740 -0.6740 5.6456 5.6457 k = 0.0000 0.5438 0.4748 ( 6356 PWs) bands (ev): -19.8437 -19.8437 -19.8437 -19.8437 -18.4052 -18.4052 -18.4052 -18.4052 -12.6668 -12.6668 -12.6668 -12.6668 -8.9873 -8.9873 -8.9873 -8.9873 -5.3630 -5.3630 -5.3628 -5.3628 -5.0034 -5.0034 -5.0026 -5.0026 -4.3756 -4.3756 -4.3744 -4.3744 -2.4502 -2.4502 -2.4484 -2.4484 -2.1972 -2.1972 -2.1955 -2.1955 -1.7835 -1.7835 -1.7769 -1.7769 -1.6143 -1.6143 -1.6061 -1.6061 -0.9484 -0.9484 -0.9484 -0.9484 -0.8110 -0.8110 -0.8092 -0.8092 -0.6772 -0.6772 -0.6733 -0.6733 5.6127 5.6127 k = 0.0000 0.5438 0.4964 ( 6354 PWs) bands (ev): -19.8414 -19.8414 -19.8414 -19.8414 -18.4043 -18.4043 -18.4043 -18.4043 -12.6655 -12.6655 -12.6655 -12.6655 -9.0018 -9.0018 -9.0017 -9.0017 -5.3483 -5.3483 -5.3481 -5.3481 -5.0132 -5.0132 -5.0124 -5.0124 -4.3838 -4.3838 -4.3826 -4.3826 -2.4462 -2.4462 -2.4444 -2.4444 -2.1713 -2.1713 -2.1696 -2.1696 -1.7970 -1.7970 -1.7902 -1.7902 -1.6382 -1.6382 -1.6299 -1.6299 -0.9529 -0.9529 -0.9528 -0.9528 -0.8126 -0.8126 -0.8108 -0.8108 -0.6766 -0.6766 -0.6727 -0.6727 5.5812 5.5814 k = 0.0000 0.5438 0.5179 ( 6356 PWs) bands (ev): -19.8391 -19.8391 -19.8391 -19.8391 -18.4034 -18.4034 -18.4034 -18.4034 -12.6642 -12.6642 -12.6642 -12.6642 -9.0159 -9.0159 -9.0159 -9.0159 -5.3336 -5.3336 -5.3334 -5.3334 -5.0224 -5.0224 -5.0216 -5.0216 -4.3918 -4.3918 -4.3906 -4.3906 -2.4431 -2.4431 -2.4414 -2.4414 -2.1457 -2.1457 -2.1441 -2.1441 -1.8109 -1.8109 -1.8039 -1.8039 -1.6608 -1.6608 -1.6525 -1.6525 -0.9574 -0.9574 -0.9572 -0.9572 -0.8140 -0.8140 -0.8122 -0.8122 -0.6759 -0.6759 -0.6721 -0.6721 5.5516 5.5518 k = 0.0000 0.5438 0.5395 ( 6354 PWs) bands (ev): -19.8369 -19.8369 -19.8369 -19.8369 -18.4026 -18.4026 -18.4026 -18.4026 -12.6629 -12.6629 -12.6629 -12.6629 -9.0297 -9.0297 -9.0296 -9.0296 -5.3188 -5.3188 -5.3187 -5.3187 -5.0312 -5.0312 -5.0303 -5.0303 -4.3996 -4.3996 -4.3985 -4.3985 -2.4408 -2.4408 -2.4392 -2.4392 -2.1209 -2.1209 -2.1194 -2.1194 -1.8252 -1.8252 -1.8182 -1.8182 -1.6816 -1.6816 -1.6735 -1.6735 -0.9617 -0.9617 -0.9614 -0.9614 -0.8153 -0.8153 -0.8135 -0.8135 -0.6753 -0.6753 -0.6716 -0.6716 5.5238 5.5241 k = 0.0000 0.5438 0.5611 ( 6352 PWs) bands (ev): -19.8348 -19.8348 -19.8348 -19.8348 -18.4017 -18.4017 -18.4017 -18.4017 -12.6617 -12.6617 -12.6616 -12.6616 -9.0430 -9.0430 -9.0429 -9.0429 -5.3043 -5.3043 -5.3041 -5.3041 -5.0394 -5.0394 -5.0385 -5.0385 -4.4072 -4.4072 -4.4061 -4.4061 -2.4391 -2.4391 -2.4375 -2.4375 -2.0973 -2.0973 -2.0959 -2.0959 -1.8398 -1.8398 -1.8329 -1.8329 -1.7005 -1.7005 -1.6927 -1.6927 -0.9659 -0.9659 -0.9655 -0.9655 -0.8164 -0.8164 -0.8147 -0.8147 -0.6747 -0.6747 -0.6712 -0.6712 5.4981 5.4982 k = 0.0000 0.5438 0.5827 ( 6354 PWs) bands (ev): -19.8327 -19.8327 -19.8327 -19.8327 -18.4010 -18.4010 -18.4010 -18.4010 -12.6605 -12.6605 -12.6605 -12.6605 -9.0557 -9.0557 -9.0557 -9.0557 -5.2899 -5.2899 -5.2898 -5.2898 -5.0471 -5.0471 -5.0462 -5.0462 -4.4146 -4.4146 -4.4134 -4.4134 -2.4378 -2.4378 -2.4364 -2.4364 -2.0752 -2.0752 -2.0738 -2.0738 -1.8547 -1.8547 -1.8481 -1.8481 -1.7173 -1.7173 -1.7098 -1.7098 -0.9698 -0.9698 -0.9694 -0.9694 -0.8173 -0.8173 -0.8157 -0.8157 -0.6742 -0.6742 -0.6709 -0.6709 5.4738 5.4740 k = 0.0000 0.5438 0.6043 ( 6350 PWs) bands (ev): -19.8308 -19.8308 -19.8308 -19.8308 -18.4002 -18.4002 -18.4002 -18.4002 -12.6593 -12.6593 -12.6593 -12.6593 -9.0679 -9.0679 -9.0679 -9.0679 -5.2759 -5.2759 -5.2759 -5.2759 -5.0543 -5.0543 -5.0534 -5.0534 -4.4216 -4.4216 -4.4205 -4.4205 -2.4369 -2.4369 -2.4355 -2.4355 -2.0549 -2.0549 -2.0537 -2.0537 -1.8696 -1.8696 -1.8635 -1.8635 -1.7319 -1.7319 -1.7249 -1.7249 -0.9734 -0.9734 -0.9730 -0.9730 -0.8181 -0.8181 -0.8166 -0.8166 -0.6738 -0.6738 -0.6706 -0.6706 5.4517 5.4518 k = 0.0000 0.5438 0.6259 ( 6346 PWs) bands (ev): -19.8289 -19.8289 -19.8289 -19.8289 -18.3995 -18.3995 -18.3995 -18.3995 -12.6583 -12.6583 -12.6583 -12.6583 -9.0793 -9.0793 -9.0793 -9.0793 -5.2624 -5.2624 -5.2623 -5.2623 -5.0611 -5.0611 -5.0602 -5.0602 -4.4282 -4.4282 -4.4272 -4.4272 -2.4362 -2.4362 -2.4349 -2.4349 -2.0369 -2.0369 -2.0358 -2.0358 -1.8841 -1.8841 -1.8784 -1.8784 -1.7443 -1.7443 -1.7380 -1.7380 -0.9768 -0.9768 -0.9763 -0.9763 -0.8188 -0.8188 -0.8173 -0.8173 -0.6735 -0.6735 -0.6704 -0.6704 5.4313 5.4314 k = 0.0000 0.5438 0.6474 ( 6344 PWs) bands (ev): -19.8272 -19.8272 -19.8272 -19.8272 -18.3988 -18.3988 -18.3988 -18.3988 -12.6573 -12.6573 -12.6573 -12.6573 -9.0900 -9.0900 -9.0900 -9.0900 -5.2493 -5.2493 -5.2493 -5.2493 -5.0674 -5.0674 -5.0665 -5.0665 -4.4344 -4.4344 -4.4334 -4.4334 -2.4357 -2.4357 -2.4346 -2.4346 -2.0217 -2.0217 -2.0206 -2.0206 -1.8973 -1.8973 -1.8922 -1.8922 -1.7547 -1.7547 -1.7491 -1.7491 -0.9799 -0.9799 -0.9793 -0.9793 -0.8194 -0.8194 -0.8179 -0.8179 -0.6732 -0.6732 -0.6703 -0.6703 5.4128 5.4129 k = 0.0000 0.5438 0.6690 ( 6350 PWs) bands (ev): -19.8256 -19.8256 -19.8256 -19.8256 -18.3982 -18.3982 -18.3982 -18.3982 -12.6563 -12.6563 -12.6563 -12.6563 -9.0999 -9.0999 -9.0999 -9.0999 -5.2370 -5.2370 -5.2369 -5.2369 -5.0732 -5.0732 -5.0723 -5.0723 -4.4402 -4.4402 -4.4393 -4.4393 -2.4354 -2.4354 -2.4343 -2.4343 -2.0100 -2.0100 -2.0091 -2.0091 -1.9083 -1.9083 -1.9037 -1.9037 -1.7634 -1.7634 -1.7585 -1.7585 -0.9826 -0.9826 -0.9821 -0.9821 -0.8198 -0.8198 -0.8184 -0.8184 -0.6729 -0.6729 -0.6703 -0.6703 5.3960 5.3962 k = 0.0000 0.5438 0.6906 ( 6346 PWs) bands (ev): -19.8241 -19.8241 -19.8241 -19.8241 -18.3977 -18.3977 -18.3977 -18.3977 -12.6555 -12.6555 -12.6555 -12.6555 -9.1089 -9.1089 -9.1089 -9.1089 -5.2253 -5.2253 -5.2252 -5.2252 -5.0787 -5.0787 -5.0778 -5.0778 -4.4455 -4.4455 -4.4446 -4.4446 -2.4352 -2.4352 -2.4342 -2.4342 -2.0029 -2.0029 -2.0020 -2.0020 -1.9158 -1.9158 -1.9118 -1.9118 -1.7705 -1.7705 -1.7663 -1.7663 -0.9850 -0.9850 -0.9845 -0.9845 -0.8201 -0.8201 -0.8189 -0.8189 -0.6727 -0.6727 -0.6703 -0.6703 5.3810 5.3813 k = 0.0000 0.5438 0.7122 ( 6340 PWs) bands (ev): -19.8228 -19.8228 -19.8228 -19.8228 -18.3971 -18.3971 -18.3971 -18.3971 -12.6548 -12.6548 -12.6548 -12.6548 -9.1170 -9.1170 -9.1170 -9.1170 -5.2145 -5.2145 -5.2143 -5.2143 -5.0837 -5.0837 -5.0828 -5.0828 -4.4502 -4.4502 -4.4494 -4.4494 -2.4350 -2.4350 -2.4341 -2.4341 -2.0008 -2.0008 -1.9999 -1.9999 -1.9189 -1.9189 -1.9157 -1.9157 -1.7763 -1.7763 -1.7726 -1.7726 -0.9871 -0.9871 -0.9866 -0.9866 -0.8203 -0.8203 -0.8192 -0.8192 -0.6725 -0.6725 -0.6704 -0.6704 5.3679 5.3681 k = 0.0000 0.5438 0.7338 ( 6344 PWs) bands (ev): -19.8216 -19.8216 -19.8216 -19.8216 -18.3967 -18.3967 -18.3967 -18.3967 -12.6541 -12.6541 -12.6541 -12.6541 -9.1240 -9.1240 -9.1240 -9.1240 -5.2046 -5.2046 -5.2044 -5.2044 -5.0883 -5.0883 -5.0875 -5.0875 -4.4544 -4.4544 -4.4537 -4.4537 -2.4349 -2.4349 -2.4341 -2.4341 -2.0032 -2.0032 -2.0023 -2.0023 -1.9182 -1.9182 -1.9156 -1.9156 -1.7808 -1.7808 -1.7778 -1.7778 -0.9889 -0.9889 -0.9884 -0.9884 -0.8205 -0.8205 -0.8195 -0.8195 -0.6724 -0.6724 -0.6705 -0.6705 5.3566 5.3568 k = 0.0000 0.5438 0.7553 ( 6342 PWs) bands (ev): -19.8206 -19.8206 -19.8206 -19.8206 -18.3963 -18.3963 -18.3963 -18.3963 -12.6535 -12.6535 -12.6535 -12.6535 -9.1301 -9.1301 -9.1301 -9.1301 -5.1957 -5.1957 -5.1955 -5.1955 -5.0925 -5.0925 -5.0918 -5.0918 -4.4580 -4.4580 -4.4574 -4.4574 -2.4348 -2.4348 -2.4342 -2.4342 -2.0081 -2.0081 -2.0072 -2.0072 -1.9151 -1.9151 -1.9131 -1.9131 -1.7844 -1.7844 -1.7819 -1.7819 -0.9903 -0.9903 -0.9900 -0.9900 -0.8206 -0.8206 -0.8197 -0.8197 -0.6722 -0.6722 -0.6706 -0.6706 5.3470 5.3472 k = 0.0000 0.5438 0.7769 ( 6342 PWs) bands (ev): -19.8198 -19.8198 -19.8198 -19.8198 -18.3960 -18.3960 -18.3960 -18.3960 -12.6531 -12.6531 -12.6531 -12.6531 -9.1351 -9.1351 -9.1351 -9.1351 -5.1881 -5.1881 -5.1878 -5.1878 -5.0962 -5.0962 -5.0955 -5.0955 -4.4609 -4.4609 -4.4604 -4.4604 -2.4347 -2.4347 -2.4342 -2.4342 -2.0137 -2.0137 -2.0130 -2.0130 -1.9113 -1.9113 -1.9098 -1.9098 -1.7870 -1.7870 -1.7850 -1.7850 -0.9915 -0.9915 -0.9912 -0.9912 -0.8206 -0.8206 -0.8199 -0.8199 -0.6721 -0.6721 -0.6708 -0.6708 5.3393 5.3394 k = 0.0000 0.5438 0.7985 ( 6336 PWs) bands (ev): -19.8192 -19.8192 -19.8192 -19.8192 -18.3958 -18.3958 -18.3958 -18.3958 -12.6527 -12.6527 -12.6527 -12.6527 -9.1391 -9.1391 -9.1391 -9.1391 -5.1817 -5.1817 -5.1815 -5.1815 -5.0993 -5.0993 -5.0988 -5.0988 -4.4632 -4.4632 -4.4629 -4.4629 -2.4347 -2.4347 -2.4343 -2.4343 -2.0189 -2.0189 -2.0183 -2.0183 -1.9078 -1.9078 -1.9066 -1.9066 -1.7888 -1.7888 -1.7874 -1.7874 -0.9924 -0.9924 -0.9921 -0.9921 -0.8206 -0.8206 -0.8201 -0.8201 -0.6720 -0.6720 -0.6710 -0.6710 5.3332 5.3333 k = 0.0000 0.5438 0.8201 ( 6330 PWs) bands (ev): -19.8187 -19.8187 -19.8187 -19.8187 -18.3956 -18.3956 -18.3956 -18.3956 -12.6524 -12.6524 -12.6524 -12.6524 -9.1419 -9.1419 -9.1419 -9.1419 -5.1770 -5.1770 -5.1768 -5.1768 -5.1017 -5.1017 -5.1013 -5.1013 -4.4649 -4.4649 -4.4646 -4.4646 -2.4346 -2.4346 -2.4343 -2.4343 -2.0230 -2.0230 -2.0226 -2.0226 -1.9049 -1.9049 -1.9042 -1.9042 -1.7900 -1.7900 -1.7890 -1.7890 -0.9930 -0.9930 -0.9928 -0.9928 -0.8206 -0.8206 -0.8202 -0.8202 -0.6719 -0.6719 -0.6712 -0.6712 5.3289 5.3289 k = 0.0000 0.5438 0.8417 ( 6324 PWs) bands (ev): -19.8184 -19.8184 -19.8184 -19.8184 -18.3955 -18.3955 -18.3955 -18.3955 -12.6523 -12.6523 -12.6523 -12.6523 -9.1436 -9.1436 -9.1436 -9.1436 -5.1739 -5.1739 -5.1738 -5.1738 -5.1032 -5.1032 -5.1030 -5.1030 -4.4658 -4.4658 -4.4657 -4.4657 -2.4345 -2.4345 -2.4344 -2.4344 -2.0255 -2.0255 -2.0253 -2.0253 -1.9031 -1.9031 -1.9027 -1.9027 -1.7905 -1.7905 -1.7900 -1.7900 -0.9933 -0.9933 -0.9932 -0.9932 -0.8205 -0.8205 -0.8203 -0.8203 -0.6717 -0.6717 -0.6714 -0.6714 5.3263 5.3264 k = 0.0000 0.5438 0.8632 ( 6332 PWs) bands (ev): -19.8183 -19.8183 -19.8183 -19.8183 -18.3954 -18.3954 -18.3954 -18.3954 -12.6522 -12.6522 -12.6522 -12.6522 -9.1442 -9.1442 -9.1442 -9.1442 -5.1729 -5.1729 -5.1729 -5.1729 -5.1037 -5.1037 -5.1037 -5.1037 -4.4661 -4.4661 -4.4661 -4.4661 -2.4345 -2.4345 -2.4345 -2.4345 -2.0263 -2.0263 -2.0263 -2.0263 -1.9023 -1.9023 -1.9023 -1.9023 -1.7905 -1.7905 -1.7905 -1.7905 -0.9934 -0.9934 -0.9934 -0.9934 -0.8204 -0.8204 -0.8204 -0.8204 -0.6715 -0.6715 -0.6715 -0.6715 5.3255 5.3255 k = 0.0000 0.5438 0.8632 ( 6332 PWs) bands (ev): -19.8183 -19.8183 -19.8183 -19.8183 -18.3954 -18.3954 -18.3954 -18.3954 -12.6522 -12.6522 -12.6522 -12.6522 -9.1442 -9.1442 -9.1442 -9.1442 -5.1729 -5.1729 -5.1729 -5.1729 -5.1037 -5.1037 -5.1037 -5.1037 -4.4661 -4.4661 -4.4661 -4.4661 -2.4345 -2.4345 -2.4345 -2.4345 -2.0263 -2.0263 -2.0263 -2.0263 -1.9023 -1.9023 -1.9023 -1.9023 -1.7905 -1.7905 -1.7905 -1.7905 -0.9934 -0.9934 -0.9934 -0.9934 -0.8204 -0.8204 -0.8204 -0.8204 -0.6715 -0.6715 -0.6715 -0.6715 5.3255 5.3255 k = 0.0211 0.5438 0.8632 ( 6338 PWs) bands (ev): -19.8187 -19.8187 -19.8180 -19.8180 -18.3967 -18.3967 -18.3942 -18.3942 -12.6532 -12.6532 -12.6512 -12.6512 -9.1456 -9.1456 -9.1429 -9.1429 -5.1854 -5.1854 -5.1608 -5.1608 -5.1263 -5.1263 -5.0801 -5.0801 -4.4679 -4.4679 -4.4638 -4.4638 -2.4452 -2.4452 -2.4232 -2.4232 -2.0430 -2.0430 -2.0105 -2.0105 -1.9033 -1.9033 -1.9012 -1.9012 -1.8107 -1.8107 -1.7703 -1.7703 -1.0003 -1.0003 -0.9875 -0.9875 -0.8210 -0.8210 -0.8199 -0.8199 -0.6797 -0.6797 -0.6634 -0.6634 5.2971 5.2971 k = 0.0422 0.5438 0.8632 ( 6340 PWs) bands (ev): -19.8190 -19.8190 -19.8177 -19.8177 -18.3979 -18.3979 -18.3930 -18.3930 -12.6541 -12.6541 -12.6502 -12.6502 -9.1472 -9.1472 -9.1418 -9.1418 -5.1980 -5.1980 -5.1570 -5.1570 -5.1402 -5.1402 -5.0564 -5.0564 -4.4691 -4.4691 -4.4609 -4.4609 -2.4553 -2.4553 -2.4116 -2.4116 -2.0601 -2.0601 -1.9960 -1.9960 -1.9044 -1.9044 -1.8996 -1.8996 -1.8304 -1.8304 -1.7501 -1.7501 -1.0079 -1.0079 -0.9827 -0.9827 -0.8217 -0.8217 -0.8195 -0.8195 -0.6874 -0.6874 -0.6554 -0.6554 5.2692 5.2693 k = 0.0633 0.5438 0.8632 ( 6348 PWs) bands (ev): -19.8193 -19.8193 -19.8174 -19.8174 -18.3992 -18.3992 -18.3918 -18.3918 -12.6549 -12.6549 -12.6491 -12.6491 -9.1489 -9.1489 -9.1409 -9.1409 -5.2106 -5.2106 -5.1756 -5.1756 -5.1309 -5.1309 -5.0325 -5.0325 -4.4698 -4.4698 -4.4575 -4.4575 -2.4647 -2.4647 -2.3998 -2.3998 -2.0776 -2.0776 -1.9833 -1.9833 -1.9060 -1.9060 -1.8969 -1.8969 -1.8494 -1.8494 -1.7302 -1.7302 -1.0159 -1.0159 -0.9792 -0.9792 -0.8227 -0.8227 -0.8190 -0.8190 -0.6946 -0.6946 -0.6478 -0.6478 5.2419 5.2419 k = 0.0844 0.5438 0.8632 ( 6350 PWs) bands (ev): -19.8196 -19.8196 -19.8170 -19.8170 -18.4004 -18.4004 -18.3907 -18.3907 -12.6558 -12.6558 -12.6479 -12.6479 -9.1508 -9.1508 -9.1402 -9.1402 -5.2237 -5.2237 -5.1964 -5.1964 -5.1182 -5.1182 -5.0087 -5.0087 -4.4699 -4.4699 -4.4536 -4.4536 -2.4733 -2.4733 -2.3878 -2.3878 -2.0952 -2.0952 -1.9731 -1.9731 -1.9086 -1.9086 -1.8926 -1.8926 -1.8670 -1.8670 -1.7109 -1.7109 -1.0243 -1.0243 -0.9771 -0.9771 -0.8238 -0.8238 -0.8185 -0.8185 -0.7009 -0.7009 -0.6409 -0.6409 5.2153 5.2153 k = 0.1056 0.5438 0.8632 ( 6340 PWs) bands (ev): -19.8199 -19.8199 -19.8167 -19.8167 -18.4016 -18.4016 -18.3896 -18.3896 -12.6566 -12.6566 -12.6467 -12.6467 -9.1527 -9.1527 -9.1397 -9.1397 -5.2384 -5.2384 -5.2151 -5.2151 -5.1051 -5.1051 -4.9849 -4.9849 -4.4696 -4.4696 -4.4493 -4.4493 -2.4811 -2.4811 -2.3759 -2.3759 -2.1127 -2.1127 -1.9658 -1.9658 -1.9135 -1.9135 -1.8889 -1.8889 -1.8795 -1.8795 -1.6922 -1.6922 -1.0327 -1.0327 -0.9763 -0.9763 -0.8251 -0.8251 -0.8178 -0.8178 -0.7063 -0.7063 -0.6348 -0.6348 5.1892 5.1892 k = 0.1267 0.5438 0.8632 ( 6340 PWs) bands (ev): -19.8202 -19.8202 -19.8163 -19.8163 -18.4028 -18.4028 -18.3885 -18.3885 -12.6574 -12.6574 -12.6454 -12.6454 -9.1547 -9.1547 -9.1394 -9.1394 -5.2559 -5.2559 -5.2303 -5.2303 -5.0921 -5.0921 -4.9614 -4.9614 -4.4688 -4.4688 -4.4446 -4.4446 -2.4879 -2.4879 -2.3641 -2.3641 -2.1301 -2.1301 -1.9611 -1.9611 -1.9219 -1.9219 -1.8977 -1.8977 -1.8738 -1.8738 -1.6746 -1.6746 -1.0409 -1.0409 -0.9770 -0.9770 -0.8264 -0.8264 -0.8170 -0.8170 -0.7107 -0.7107 -0.6297 -0.6297 5.1638 5.1638 k = 0.1478 0.5438 0.8632 ( 6330 PWs) bands (ev): -19.8206 -19.8206 -19.8159 -19.8159 -18.4039 -18.4039 -18.3875 -18.3875 -12.6581 -12.6581 -12.6441 -12.6441 -9.1567 -9.1567 -9.1393 -9.1393 -5.2756 -5.2756 -5.2422 -5.2422 -5.0793 -5.0793 -4.9381 -4.9381 -4.4676 -4.4676 -4.4395 -4.4395 -2.4936 -2.4936 -2.3528 -2.3528 -2.1471 -2.1471 -1.9583 -1.9583 -1.9340 -1.9340 -1.9069 -1.9069 -1.8627 -1.8627 -1.6580 -1.6580 -1.0487 -1.0487 -0.9787 -0.9787 -0.8276 -0.8276 -0.8159 -0.8159 -0.7142 -0.7142 -0.6256 -0.6256 5.1389 5.1389 k = 0.1689 0.5438 0.8632 ( 6334 PWs) bands (ev): -19.8210 -19.8210 -19.8154 -19.8154 -18.4050 -18.4050 -18.3865 -18.3865 -12.6589 -12.6589 -12.6427 -12.6427 -9.1587 -9.1587 -9.1394 -9.1394 -5.2962 -5.2962 -5.2520 -5.2520 -5.0668 -5.0668 -4.9150 -4.9150 -4.4661 -4.4661 -4.4341 -4.4341 -2.4982 -2.4982 -2.3422 -2.3422 -2.1638 -2.1638 -1.9569 -1.9569 -1.9475 -1.9475 -1.9153 -1.9153 -1.8500 -1.8500 -1.6428 -1.6428 -1.0558 -1.0558 -0.9814 -0.9814 -0.8287 -0.8287 -0.8146 -0.8146 -0.7170 -0.7170 -0.6227 -0.6227 5.1146 5.1146 k = 0.1900 0.5438 0.8632 ( 6336 PWs) bands (ev): -19.8214 -19.8214 -19.8149 -19.8149 -18.4060 -18.4060 -18.3856 -18.3856 -12.6597 -12.6597 -12.6413 -12.6413 -9.1607 -9.1607 -9.1397 -9.1397 -5.3170 -5.3170 -5.2606 -5.2606 -5.0547 -5.0547 -4.8924 -4.8924 -4.4643 -4.4643 -4.4286 -4.4286 -2.5015 -2.5015 -2.3324 -2.3324 -2.1800 -2.1800 -1.9622 -1.9622 -1.9549 -1.9549 -1.9241 -1.9241 -1.8365 -1.8365 -1.6290 -1.6290 -1.0620 -1.0620 -0.9845 -0.9845 -0.8297 -0.8297 -0.8131 -0.8131 -0.7193 -0.7193 -0.6208 -0.6208 5.0908 5.0908 k = 0.2111 0.5438 0.8632 ( 6340 PWs) bands (ev): -19.8218 -19.8218 -19.8145 -19.8145 -18.4069 -18.4069 -18.3848 -18.3848 -12.6605 -12.6605 -12.6399 -12.6399 -9.1626 -9.1626 -9.1401 -9.1401 -5.3375 -5.3375 -5.2681 -5.2681 -5.0433 -5.0433 -4.8701 -4.8701 -4.4623 -4.4623 -4.4229 -4.4229 -2.5035 -2.5035 -2.3238 -2.3238 -2.1957 -2.1957 -1.9754 -1.9754 -1.9540 -1.9540 -1.9340 -1.9340 -1.8228 -1.8228 -1.6169 -1.6169 -1.0672 -1.0672 -0.9878 -0.9878 -0.8305 -0.8305 -0.8113 -0.8113 -0.7212 -0.7212 -0.6200 -0.6200 5.0676 5.0676 k = 0.2322 0.5438 0.8632 ( 6342 PWs) bands (ev): -19.8222 -19.8222 -19.8139 -19.8139 -18.4078 -18.4078 -18.3841 -18.3841 -12.6613 -12.6613 -12.6384 -12.6384 -9.1643 -9.1643 -9.1406 -9.1406 -5.3576 -5.3576 -5.2746 -5.2746 -5.0325 -5.0325 -4.8482 -4.8482 -4.4602 -4.4602 -4.4172 -4.4172 -2.5042 -2.5042 -2.3167 -2.3167 -2.2107 -2.2107 -1.9880 -1.9880 -1.9525 -1.9525 -1.9451 -1.9451 -1.8089 -1.8089 -1.6065 -1.6065 -1.0711 -1.0711 -0.9909 -0.9909 -0.8312 -0.8312 -0.8092 -0.8092 -0.7229 -0.7229 -0.6203 -0.6203 5.0448 5.0448 k = 0.2533 0.5438 0.8632 ( 6352 PWs) bands (ev): -19.8227 -19.8227 -19.8134 -19.8134 -18.4086 -18.4086 -18.3834 -18.3834 -12.6621 -12.6621 -12.6369 -12.6369 -9.1659 -9.1659 -9.1413 -9.1413 -5.3773 -5.3773 -5.2802 -5.2802 -5.0225 -5.0225 -4.8268 -4.8268 -4.4580 -4.4580 -4.4116 -4.4116 -2.5034 -2.5034 -2.3111 -2.3111 -2.2251 -2.2251 -1.9999 -1.9999 -1.9586 -1.9586 -1.9494 -1.9494 -1.7950 -1.7950 -1.5979 -1.5979 -1.0737 -1.0737 -0.9933 -0.9933 -0.8318 -0.8318 -0.8070 -0.8070 -0.7247 -0.7247 -0.6215 -0.6215 5.0225 5.0225 k = 0.2744 0.5438 0.8632 ( 6354 PWs) bands (ev): -19.8232 -19.8232 -19.8128 -19.8128 -18.4094 -18.4094 -18.3828 -18.3828 -12.6630 -12.6630 -12.6353 -12.6353 -9.1674 -9.1674 -9.1421 -9.1421 -5.3963 -5.3963 -5.2849 -5.2849 -5.0135 -5.0135 -4.8059 -4.8059 -4.4558 -4.4558 -4.4061 -4.4061 -2.5010 -2.5010 -2.3074 -2.3074 -2.2388 -2.2388 -2.0113 -2.0113 -1.9722 -1.9722 -1.9464 -1.9464 -1.7812 -1.7812 -1.5911 -1.5911 -1.0749 -1.0749 -0.9949 -0.9949 -0.8324 -0.8324 -0.8044 -0.8044 -0.7265 -0.7265 -0.6236 -0.6236 5.0005 5.0005 k = 0.2956 0.5438 0.8632 ( 6358 PWs) bands (ev): -19.8238 -19.8238 -19.8122 -19.8122 -18.4100 -18.4100 -18.3823 -18.3823 -12.6639 -12.6639 -12.6338 -12.6338 -9.1686 -9.1686 -9.1429 -9.1429 -5.4147 -5.4147 -5.2887 -5.2887 -5.0054 -5.0054 -4.7856 -4.7856 -4.4538 -4.4538 -4.4008 -4.4008 -2.4972 -2.4972 -2.3057 -2.3057 -2.2517 -2.2517 -2.0224 -2.0224 -1.9864 -1.9864 -1.9423 -1.9423 -1.7676 -1.7676 -1.5860 -1.5860 -1.0746 -1.0746 -0.9952 -0.9952 -0.8330 -0.8330 -0.8017 -0.8017 -0.7287 -0.7287 -0.6265 -0.6265 4.9790 4.9790 k = 0.3167 0.5438 0.8632 ( 6360 PWs) bands (ev): -19.8243 -19.8243 -19.8115 -19.8115 -18.4106 -18.4106 -18.3819 -18.3819 -12.6648 -12.6648 -12.6322 -12.6322 -9.1696 -9.1696 -9.1438 -9.1438 -5.4325 -5.4325 -5.2917 -5.2917 -4.9985 -4.9985 -4.7657 -4.7657 -4.4519 -4.4519 -4.3959 -4.3959 -2.4918 -2.4918 -2.3060 -2.3060 -2.2638 -2.2638 -2.0342 -2.0342 -2.0002 -2.0002 -1.9375 -1.9375 -1.7540 -1.7540 -1.5825 -1.5825 -1.0729 -1.0729 -0.9943 -0.9943 -0.8337 -0.8337 -0.7988 -0.7988 -0.7312 -0.7312 -0.6300 -0.6300 4.9577 4.9577 k = 0.3378 0.5438 0.8632 ( 6364 PWs) bands (ev): -19.8250 -19.8250 -19.8109 -19.8109 -18.4110 -18.4110 -18.3815 -18.3815 -12.6659 -12.6659 -12.6306 -12.6306 -9.1704 -9.1704 -9.1447 -9.1447 -5.4495 -5.4495 -5.2938 -5.2938 -4.9928 -4.9928 -4.7465 -4.7465 -4.4502 -4.4502 -4.3913 -4.3913 -2.4849 -2.4849 -2.3084 -2.3084 -2.2753 -2.2753 -2.0476 -2.0476 -2.0122 -2.0122 -1.9319 -1.9319 -1.7405 -1.7405 -1.5806 -1.5806 -1.0699 -1.0699 -0.9920 -0.9920 -0.8346 -0.8346 -0.7959 -0.7959 -0.7340 -0.7340 -0.6339 -0.6339 4.9367 4.9367 k = 0.3589 0.5438 0.8632 ( 6368 PWs) bands (ev): -19.8256 -19.8256 -19.8102 -19.8102 -18.4114 -18.4114 -18.3813 -18.3813 -12.6669 -12.6669 -12.6291 -12.6291 -9.1708 -9.1708 -9.1456 -9.1456 -5.4658 -5.4658 -5.2950 -5.2950 -4.9883 -4.9883 -4.7279 -4.7279 -4.4489 -4.4489 -4.3872 -4.3872 -2.4768 -2.4768 -2.3127 -2.3127 -2.2860 -2.2860 -2.0632 -2.0632 -2.0214 -2.0214 -1.9260 -1.9260 -1.7271 -1.7271 -1.5799 -1.5799 -1.0656 -1.0656 -0.9884 -0.9884 -0.8357 -0.8357 -0.7929 -0.7929 -0.7372 -0.7372 -0.6382 -0.6382 4.9160 4.9160 k = 0.3589 0.5438 0.8632 ( 6368 PWs) bands (ev): -19.8256 -19.8256 -19.8102 -19.8102 -18.4114 -18.4114 -18.3813 -18.3813 -12.6669 -12.6669 -12.6291 -12.6291 -9.1708 -9.1708 -9.1456 -9.1456 -5.4658 -5.4658 -5.2950 -5.2950 -4.9883 -4.9883 -4.7279 -4.7279 -4.4489 -4.4489 -4.3872 -4.3872 -2.4768 -2.4768 -2.3127 -2.3127 -2.2860 -2.2860 -2.0632 -2.0632 -2.0214 -2.0214 -1.9260 -1.9260 -1.7271 -1.7271 -1.5799 -1.5799 -1.0656 -1.0656 -0.9884 -0.9884 -0.8357 -0.8357 -0.7929 -0.7929 -0.7372 -0.7372 -0.6382 -0.6382 4.9160 4.9160 k = 0.3469 0.5257 0.8632 ( 6356 PWs) bands (ev): -19.8243 -19.8243 -19.8115 -19.8115 -18.4108 -18.4108 -18.3817 -18.3817 -12.6648 -12.6648 -12.6320 -12.6320 -9.1702 -9.1702 -9.1439 -9.1439 -5.4351 -5.4351 -5.2934 -5.2934 -4.9956 -4.9956 -4.7629 -4.7629 -4.4511 -4.4511 -4.3946 -4.3946 -2.4928 -2.4928 -2.3025 -2.3025 -2.2662 -2.2662 -2.0317 -2.0317 -2.0073 -2.0073 -1.9391 -1.9391 -1.7517 -1.7517 -1.5800 -1.5800 -1.0741 -1.0741 -0.9960 -0.9960 -0.8332 -0.8332 -0.7987 -0.7987 -0.7311 -0.7311 -0.6305 -0.6305 4.9557 4.9557 k = 0.3350 0.5075 0.8632 ( 6356 PWs) bands (ev): -19.8230 -19.8230 -19.8130 -19.8130 -18.4102 -18.4102 -18.3821 -18.3821 -12.6626 -12.6626 -12.6352 -12.6352 -9.1695 -9.1695 -9.1420 -9.1420 -5.4025 -5.4025 -5.2917 -5.2917 -5.0032 -5.0032 -4.7991 -4.7991 -4.4534 -4.4534 -4.4023 -4.4023 -2.5082 -2.5082 -2.2917 -2.2917 -2.2455 -2.2455 -2.0003 -2.0003 -1.9930 -1.9930 -1.9564 -1.9564 -1.7747 -1.7747 -1.5802 -1.5802 -1.0814 -1.0814 -1.0025 -1.0025 -0.8304 -0.8304 -0.8048 -0.8048 -0.7257 -0.7257 -0.6236 -0.6236 4.9976 4.9976 k = 0.3230 0.4894 0.8632 ( 6354 PWs) bands (ev): -19.8215 -19.8215 -19.8145 -19.8145 -18.4095 -18.4095 -18.3826 -18.3826 -12.6602 -12.6602 -12.6385 -12.6385 -9.1687 -9.1687 -9.1400 -9.1400 -5.3682 -5.3682 -5.2897 -5.2897 -5.0111 -5.0111 -4.8362 -4.8362 -4.4559 -4.4559 -4.4105 -4.4105 -2.5229 -2.5229 -2.2803 -2.2803 -2.2241 -2.2241 -1.9851 -1.9851 -1.9781 -1.9781 -1.9633 -1.9633 -1.7949 -1.7949 -1.5803 -1.5803 -1.0875 -1.0875 -1.0080 -1.0080 -0.8272 -0.8272 -0.8112 -0.8112 -0.7208 -0.7208 -0.6175 -0.6175 5.0417 5.0417 k = 0.3110 0.4713 0.8632 ( 6362 PWs) bands (ev): -19.8201 -19.8201 -19.8161 -19.8161 -18.4088 -18.4088 -18.3831 -18.3831 -12.6577 -12.6577 -12.6418 -12.6418 -9.1679 -9.1679 -9.1380 -9.1380 -5.3323 -5.3323 -5.2874 -5.2874 -5.0196 -5.0196 -4.8737 -4.8737 -4.4584 -4.4584 -4.4189 -4.4189 -2.5369 -2.5369 -2.2683 -2.2683 -2.2022 -2.2022 -2.0067 -2.0067 -1.9739 -1.9739 -1.9285 -1.9285 -1.8116 -1.8116 -1.5805 -1.5805 -1.0926 -1.0926 -1.0122 -1.0122 -0.8234 -0.8234 -0.8180 -0.8180 -0.7166 -0.7166 -0.6121 -0.6121 5.0876 5.0876 k = 0.2991 0.4532 0.8632 ( 6362 PWs) bands (ev): -19.8185 -19.8185 -19.8177 -19.8177 -18.4082 -18.4082 -18.3836 -18.3836 -12.6552 -12.6552 -12.6453 -12.6453 -9.1669 -9.1669 -9.1358 -9.1358 -5.2961 -5.2961 -5.2838 -5.2838 -5.0290 -5.0290 -4.9109 -4.9109 -4.4611 -4.4611 -4.4276 -4.4276 -2.5501 -2.5501 -2.2559 -2.2559 -2.1797 -2.1797 -2.0390 -2.0390 -1.9655 -1.9655 -1.8930 -1.8930 -1.8249 -1.8249 -1.5807 -1.5807 -1.0969 -1.0969 -1.0151 -1.0151 -0.8249 -0.8249 -0.8190 -0.8190 -0.7130 -0.7130 -0.6075 -0.6075 5.1352 5.1352 k = 0.2871 0.4350 0.8632 ( 6354 PWs) bands (ev): -19.8194 -19.8194 -19.8170 -19.8170 -18.4075 -18.4075 -18.3841 -18.3841 -12.6526 -12.6526 -12.6489 -12.6489 -9.1659 -9.1659 -9.1336 -9.1336 -5.2834 -5.2834 -5.2551 -5.2551 -5.0403 -5.0403 -4.9467 -4.9467 -4.4638 -4.4638 -4.4366 -4.4366 -2.5627 -2.5627 -2.2430 -2.2430 -2.1569 -2.1569 -2.0754 -2.0754 -1.9585 -1.9585 -1.8584 -1.8584 -1.8344 -1.8344 -1.5809 -1.5809 -1.1005 -1.1005 -1.0167 -1.0167 -0.8321 -0.8321 -0.8138 -0.8138 -0.7101 -0.7101 -0.6035 -0.6035 5.1843 5.1843 k = 0.2752 0.4169 0.8632 ( 6358 PWs) bands (ev): -19.8211 -19.8211 -19.8154 -19.8154 -18.4067 -18.4067 -18.3846 -18.3846 -12.6525 -12.6525 -12.6499 -12.6499 -9.1647 -9.1647 -9.1313 -9.1313 -5.2803 -5.2803 -5.2157 -5.2157 -5.0553 -5.0553 -4.9787 -4.9787 -4.4666 -4.4666 -4.4457 -4.4457 -2.5745 -2.5745 -2.2297 -2.2297 -2.1346 -2.1346 -2.1141 -2.1141 -1.9529 -1.9529 -1.8471 -1.8471 -1.8184 -1.8184 -1.5812 -1.5812 -1.1035 -1.1035 -1.0170 -1.0170 -0.8395 -0.8395 -0.8079 -0.8079 -0.7078 -0.7078 -0.6001 -0.6001 5.2347 5.2347 k = 0.2632 0.3988 0.8632 ( 6354 PWs) bands (ev): -19.8228 -19.8228 -19.8138 -19.8138 -18.4060 -18.4060 -18.3852 -18.3852 -12.6561 -12.6561 -12.6473 -12.6473 -9.1635 -9.1635 -9.1290 -9.1290 -5.2772 -5.2772 -5.1751 -5.1751 -5.0770 -5.0770 -5.0038 -5.0038 -4.4694 -4.4694 -4.4549 -4.4549 -2.5856 -2.5856 -2.2162 -2.2162 -2.1573 -2.1573 -2.1096 -2.1096 -1.9488 -1.9488 -1.8534 -1.8534 -1.7837 -1.7837 -1.5815 -1.5815 -1.1060 -1.1060 -1.0160 -1.0160 -0.8470 -0.8470 -0.8011 -0.8011 -0.7061 -0.7061 -0.5974 -0.5974 5.2862 5.2862 k = 0.2512 0.3807 0.8632 ( 6358 PWs) bands (ev): -19.8245 -19.8245 -19.8121 -19.8121 -18.4053 -18.4053 -18.3857 -18.3857 -12.6597 -12.6597 -12.6445 -12.6445 -9.1623 -9.1623 -9.1266 -9.1266 -5.2740 -5.2740 -5.1341 -5.1341 -5.1058 -5.1058 -5.0209 -5.0209 -4.4723 -4.4723 -4.4642 -4.4642 -2.5960 -2.5960 -2.2031 -2.2031 -2.1994 -2.1994 -2.0863 -2.0863 -1.9461 -1.9461 -1.8595 -1.8595 -1.7490 -1.7490 -1.5819 -1.5819 -1.1081 -1.1081 -1.0138 -1.0138 -0.8547 -0.8547 -0.7932 -0.7932 -0.7051 -0.7051 -0.5952 -0.5952 5.3138 5.3139 k = 0.2393 0.3625 0.8632 ( 6346 PWs) bands (ev): -19.8262 -19.8262 -19.8105 -19.8105 -18.4045 -18.4045 -18.3863 -18.3863 -12.6634 -12.6634 -12.6418 -12.6418 -9.1609 -9.1609 -9.1242 -9.1242 -5.2706 -5.2706 -5.1404 -5.1404 -5.0918 -5.0918 -5.0323 -5.0323 -4.4751 -4.4751 -4.4735 -4.4735 -2.6057 -2.6057 -2.2440 -2.2440 -2.1883 -2.1883 -2.0628 -2.0628 -1.9446 -1.9446 -1.8651 -1.8651 -1.7152 -1.7152 -1.5822 -1.5822 -1.1099 -1.1099 -1.0102 -1.0102 -0.8624 -0.8624 -0.7842 -0.7842 -0.7046 -0.7046 -0.5934 -0.5934 5.2535 5.2535 k = 0.2273 0.3444 0.8632 ( 6344 PWs) bands (ev): -19.8279 -19.8279 -19.8089 -19.8089 -18.4038 -18.4038 -18.3868 -18.3868 -12.6670 -12.6670 -12.6391 -12.6391 -9.1595 -9.1595 -9.1217 -9.1217 -5.2671 -5.2671 -5.1760 -5.1760 -5.0537 -5.0537 -5.0371 -5.0371 -4.4828 -4.4828 -4.4780 -4.4780 -2.6147 -2.6147 -2.2881 -2.2881 -2.1742 -2.1742 -2.0393 -2.0393 -1.9444 -1.9444 -1.8703 -1.8703 -1.6829 -1.6829 -1.5826 -1.5826 -1.1115 -1.1115 -1.0056 -1.0056 -0.8701 -0.8701 -0.7739 -0.7739 -0.7048 -0.7048 -0.5921 -0.5921 5.1939 5.1939 k = 0.2153 0.3263 0.8632 ( 6352 PWs) bands (ev): -19.8296 -19.8296 -19.8073 -19.8073 -18.4031 -18.4031 -18.3873 -18.3873 -12.6705 -12.6705 -12.6364 -12.6364 -9.1581 -9.1581 -9.1193 -9.1193 -5.2638 -5.2638 -5.2121 -5.2121 -5.0507 -5.0507 -5.0049 -5.0049 -4.4920 -4.4920 -4.4808 -4.4808 -2.6231 -2.6231 -2.3322 -2.3322 -2.1601 -2.1601 -2.0159 -2.0159 -1.9452 -1.9452 -1.8754 -1.8754 -1.6523 -1.6523 -1.5830 -1.5830 -1.1129 -1.1129 -0.9998 -0.9998 -0.8779 -0.8779 -0.7624 -0.7624 -0.7055 -0.7055 -0.5912 -0.5912 5.1353 5.1353 k = 0.2034 0.3081 0.8632 ( 6356 PWs) bands (ev): -19.8313 -19.8313 -19.8057 -19.8057 -18.4024 -18.4024 -18.3878 -18.3878 -12.6740 -12.6740 -12.6338 -12.6338 -9.1566 -9.1566 -9.1168 -9.1168 -5.2631 -5.2631 -5.2450 -5.2450 -5.0563 -5.0563 -4.9633 -4.9633 -4.5010 -4.5010 -4.4837 -4.4837 -2.6308 -2.6308 -2.3757 -2.3757 -2.1460 -2.1460 -1.9928 -1.9928 -1.9469 -1.9469 -1.8802 -1.8802 -1.6238 -1.6238 -1.5833 -1.5833 -1.1142 -1.1142 -0.9931 -0.9931 -0.8856 -0.8856 -0.7496 -0.7496 -0.7068 -0.7068 -0.5906 -0.5906 5.0778 5.0778 k = 0.1914 0.2900 0.8632 ( 6356 PWs) bands (ev): -19.8329 -19.8329 -19.8042 -19.8042 -18.4017 -18.4017 -18.3884 -18.3884 -12.6774 -12.6774 -12.6312 -12.6312 -9.1551 -9.1551 -9.1144 -9.1144 -5.2870 -5.2870 -5.2525 -5.2525 -5.0616 -5.0616 -4.9216 -4.9216 -4.5098 -4.5098 -4.4864 -4.4864 -2.6379 -2.6379 -2.4185 -2.4185 -2.1320 -2.1320 -1.9700 -1.9700 -1.9494 -1.9494 -1.8850 -1.8850 -1.5985 -1.5985 -1.5827 -1.5827 -1.1154 -1.1154 -0.9855 -0.9855 -0.8932 -0.8932 -0.7355 -0.7355 -0.7086 -0.7086 -0.5904 -0.5904 5.0218 5.0218 k = 0.1794 0.2719 0.8632 ( 6348 PWs) bands (ev): -19.8345 -19.8345 -19.8027 -19.8027 -18.4010 -18.4010 -18.3888 -18.3888 -12.6806 -12.6806 -12.6287 -12.6287 -9.1535 -9.1535 -9.1121 -9.1121 -5.3204 -5.3204 -5.2493 -5.2493 -5.0664 -5.0664 -4.8804 -4.8804 -4.5185 -4.5185 -4.4891 -4.4891 -2.6444 -2.6444 -2.4601 -2.4601 -2.1182 -2.1182 -1.9537 -1.9537 -1.9464 -1.9464 -1.8898 -1.8898 -1.5866 -1.5866 -1.5713 -1.5713 -1.1165 -1.1165 -0.9772 -0.9772 -0.9007 -0.9007 -0.7205 -0.7205 -0.7105 -0.7105 -0.5905 -0.5905 4.9674 4.9674 k = 0.1675 0.2538 0.8632 ( 6346 PWs) bands (ev): -19.8360 -19.8360 -19.8012 -19.8012 -18.4004 -18.4004 -18.3893 -18.3893 -12.6838 -12.6838 -12.6262 -12.6262 -9.1520 -9.1520 -9.1097 -9.1097 -5.3533 -5.3533 -5.2453 -5.2453 -5.0707 -5.0707 -4.8401 -4.8401 -4.5268 -4.5268 -4.4917 -4.4917 -2.6503 -2.6503 -2.5003 -2.5003 -2.1048 -2.1048 -1.9569 -1.9569 -1.9250 -1.9250 -1.8946 -1.8946 -1.5862 -1.5862 -1.5510 -1.5510 -1.1176 -1.1176 -0.9682 -0.9682 -0.9080 -0.9080 -0.7151 -0.7151 -0.7024 -0.7024 -0.5907 -0.5907 4.9150 4.9150 k = 0.1555 0.2356 0.8632 ( 6350 PWs) bands (ev): -19.8374 -19.8374 -19.7998 -19.7998 -18.3997 -18.3997 -18.3898 -18.3898 -12.6868 -12.6868 -12.6239 -12.6239 -9.1505 -9.1505 -9.1075 -9.1075 -5.3847 -5.3847 -5.2411 -5.2411 -5.0747 -5.0747 -4.8009 -4.8009 -4.5347 -4.5347 -4.4942 -4.4942 -2.6557 -2.6557 -2.5389 -2.5389 -2.0917 -2.0917 -1.9610 -1.9610 -1.9046 -1.9046 -1.8984 -1.8984 -1.5866 -1.5866 -1.5326 -1.5326 -1.1186 -1.1186 -0.9587 -0.9587 -0.9151 -0.9151 -0.7181 -0.7181 -0.6852 -0.6852 -0.5912 -0.5912 4.8647 4.8647 k = 0.1436 0.2175 0.8632 ( 6350 PWs) bands (ev): -19.8388 -19.8388 -19.7985 -19.7985 -18.3991 -18.3991 -18.3902 -18.3902 -12.6896 -12.6896 -12.6217 -12.6217 -9.1490 -9.1490 -9.1053 -9.1053 -5.4146 -5.4146 -5.2369 -5.2369 -5.0782 -5.0782 -4.7632 -4.7632 -4.5423 -4.5423 -4.4966 -4.4966 -2.6605 -2.6605 -2.5756 -2.5756 -2.0791 -2.0791 -1.9654 -1.9654 -1.9048 -1.9048 -1.8822 -1.8822 -1.5871 -1.5871 -1.5167 -1.5167 -1.1195 -1.1195 -0.9489 -0.9489 -0.9218 -0.9218 -0.7220 -0.7220 -0.6670 -0.6670 -0.5918 -0.5918 4.8169 4.8169 k = 0.1316 0.1994 0.8632 ( 6342 PWs) bands (ev): -19.8401 -19.8401 -19.7973 -19.7973 -18.3986 -18.3986 -18.3906 -18.3906 -12.6923 -12.6923 -12.6195 -12.6195 -9.1476 -9.1476 -9.1032 -9.1032 -5.4426 -5.4426 -5.2327 -5.2327 -5.0814 -5.0814 -4.7272 -4.7272 -4.5494 -4.5494 -4.4989 -4.4989 -2.6648 -2.6648 -2.6102 -2.6102 -2.0671 -2.0671 -1.9699 -1.9699 -1.9095 -1.9095 -1.8622 -1.8622 -1.5876 -1.5876 -1.5034 -1.5034 -1.1204 -1.1204 -0.9392 -0.9392 -0.9278 -0.9278 -0.7265 -0.7265 -0.6483 -0.6483 -0.5926 -0.5926 4.7717 4.7717 k = 0.1196 0.1813 0.8632 ( 6346 PWs) bands (ev): -19.8413 -19.8413 -19.7961 -19.7961 -18.3981 -18.3981 -18.3910 -18.3910 -12.6948 -12.6948 -12.6176 -12.6176 -9.1463 -9.1463 -9.1013 -9.1013 -5.4686 -5.4686 -5.2286 -5.2286 -5.0842 -5.0842 -4.6932 -4.6932 -4.5560 -4.5560 -4.5010 -4.5010 -2.6687 -2.6687 -2.6426 -2.6426 -2.0558 -2.0558 -1.9744 -1.9744 -1.9142 -1.9142 -1.8429 -1.8429 -1.5882 -1.5882 -1.4924 -1.4924 -1.1212 -1.1212 -0.9363 -0.9363 -0.9265 -0.9265 -0.7314 -0.7314 -0.6295 -0.6295 -0.5934 -0.5934 4.7295 4.7295 k = 0.1077 0.1631 0.8632 ( 6354 PWs) bands (ev): -19.8424 -19.8424 -19.7951 -19.7951 -18.3976 -18.3976 -18.3914 -18.3914 -12.6971 -12.6971 -12.6158 -12.6158 -9.1450 -9.1450 -9.0995 -9.0995 -5.4925 -5.4925 -5.2247 -5.2247 -5.0868 -5.0868 -4.6614 -4.6614 -4.5621 -4.5621 -4.5030 -4.5030 -2.6732 -2.6732 -2.6714 -2.6714 -2.0452 -2.0452 -1.9789 -1.9789 -1.9188 -1.9188 -1.8247 -1.8247 -1.5888 -1.5888 -1.4838 -1.4838 -1.1219 -1.1219 -0.9413 -0.9413 -0.9167 -0.9167 -0.7367 -0.7367 -0.6110 -0.6110 -0.5942 -0.5942 4.6903 4.6903 k = 0.0957 0.1450 0.8632 ( 6358 PWs) bands (ev): -19.8435 -19.8435 -19.7941 -19.7941 -18.3971 -18.3971 -18.3917 -18.3917 -12.6992 -12.6992 -12.6141 -12.6141 -9.1438 -9.1438 -9.0978 -9.0978 -5.5142 -5.5142 -5.2210 -5.2210 -5.0890 -5.0890 -4.6323 -4.6323 -4.5676 -4.5676 -4.5048 -4.5048 -2.6998 -2.6998 -2.6750 -2.6750 -2.0355 -2.0355 -1.9831 -1.9831 -1.9233 -1.9233 -1.8076 -1.8076 -1.5893 -1.5893 -1.4771 -1.4771 -1.1226 -1.1226 -0.9465 -0.9465 -0.9063 -0.9063 -0.7424 -0.7424 -0.5954 -0.5954 -0.5930 -0.5930 4.6546 4.6546 k = 0.0837 0.1269 0.8632 ( 6350 PWs) bands (ev): -19.8444 -19.8444 -19.7932 -19.7932 -18.3967 -18.3967 -18.3920 -18.3920 -12.7010 -12.7010 -12.6126 -12.6126 -9.1427 -9.1427 -9.0963 -9.0963 -5.5335 -5.5335 -5.2176 -5.2176 -5.0909 -5.0909 -4.6061 -4.6061 -4.5723 -4.5723 -4.5064 -4.5064 -2.7242 -2.7242 -2.6775 -2.6775 -2.0268 -2.0268 -1.9869 -1.9869 -1.9274 -1.9274 -1.7919 -1.7919 -1.5899 -1.5899 -1.4722 -1.4722 -1.1232 -1.1232 -0.9513 -0.9513 -0.8959 -0.8959 -0.7484 -0.7484 -0.5961 -0.5961 -0.5764 -0.5764 4.6225 4.6225 k = 0.0718 0.1088 0.8632 ( 6334 PWs) bands (ev): -19.8452 -19.8452 -19.7924 -19.7924 -18.3964 -18.3964 -18.3922 -18.3922 -12.7027 -12.7027 -12.6113 -12.6113 -9.1417 -9.1417 -9.0949 -9.0949 -5.5505 -5.5505 -5.2145 -5.2145 -5.0925 -5.0925 -4.5851 -4.5851 -4.5742 -4.5742 -4.5078 -4.5078 -2.7456 -2.7456 -2.6797 -2.6797 -2.0192 -2.0192 -1.9902 -1.9902 -1.9313 -1.9313 -1.7776 -1.7776 -1.5903 -1.5903 -1.4687 -1.4687 -1.1237 -1.1237 -0.9556 -0.9556 -0.8858 -0.8858 -0.7546 -0.7546 -0.5969 -0.5969 -0.5610 -0.5610 4.5943 4.5943 k = 0.0598 0.0906 0.8632 ( 6326 PWs) bands (ev): -19.8459 -19.8459 -19.7918 -19.7918 -18.3961 -18.3961 -18.3924 -18.3924 -12.7041 -12.7041 -12.6102 -12.6102 -9.1409 -9.1409 -9.0938 -9.0938 -5.5650 -5.5650 -5.2118 -5.2118 -5.0939 -5.0939 -4.5825 -4.5825 -4.5603 -4.5603 -4.5090 -4.5090 -2.7640 -2.7640 -2.6815 -2.6815 -2.0130 -2.0130 -1.9928 -1.9928 -1.9347 -1.9347 -1.7651 -1.7651 -1.5907 -1.5907 -1.4665 -1.4665 -1.1241 -1.1241 -0.9593 -0.9593 -0.8760 -0.8760 -0.7610 -0.7610 -0.5976 -0.5976 -0.5474 -0.5474 4.5700 4.5700 k = 0.0479 0.0725 0.8632 ( 6328 PWs) bands (ev): -19.8464 -19.8464 -19.7912 -19.7912 -18.3959 -18.3959 -18.3926 -18.3926 -12.7052 -12.7052 -12.6093 -12.6093 -9.1402 -9.1402 -9.0928 -9.0928 -5.5769 -5.5769 -5.2095 -5.2095 -5.0950 -5.0950 -4.5850 -4.5850 -4.5439 -4.5439 -4.5100 -4.5100 -2.7792 -2.7792 -2.6829 -2.6829 -2.0085 -2.0085 -1.9943 -1.9943 -1.9376 -1.9376 -1.7544 -1.7544 -1.5911 -1.5911 -1.4652 -1.4652 -1.1245 -1.1245 -0.9624 -0.9624 -0.8669 -0.8669 -0.7673 -0.7673 -0.5982 -0.5982 -0.5358 -0.5358 4.5499 4.5499 k = 0.0359 0.0544 0.8632 ( 6336 PWs) bands (ev): -19.8469 -19.8469 -19.7908 -19.7908 -18.3957 -18.3957 -18.3928 -18.3928 -12.7061 -12.7061 -12.6086 -12.6086 -9.1397 -9.1397 -9.0920 -9.0920 -5.5862 -5.5862 -5.2077 -5.2077 -5.0958 -5.0958 -4.5873 -4.5873 -4.5308 -4.5308 -4.5107 -4.5107 -2.7911 -2.7911 -2.6840 -2.6840 -2.0061 -2.0061 -1.9944 -1.9944 -1.9400 -1.9400 -1.7459 -1.7459 -1.5914 -1.5914 -1.4646 -1.4646 -1.1248 -1.1248 -0.9649 -0.9649 -0.8587 -0.8587 -0.7733 -0.7733 -0.5988 -0.5988 -0.5266 -0.5266 4.5340 4.5340 k = 0.0239 0.0363 0.8632 ( 6328 PWs) bands (ev): -19.8472 -19.8472 -19.7905 -19.7905 -18.3955 -18.3955 -18.3929 -18.3929 -12.7068 -12.7068 -12.6080 -12.6080 -9.1393 -9.1393 -9.0915 -9.0915 -5.5929 -5.5929 -5.2064 -5.2064 -5.0964 -5.0964 -4.5890 -4.5890 -4.5212 -4.5212 -4.5113 -4.5113 -2.7996 -2.7996 -2.6848 -2.6848 -2.0054 -2.0054 -1.9933 -1.9933 -1.9417 -1.9417 -1.7397 -1.7397 -1.5916 -1.5916 -1.4642 -1.4642 -1.1250 -1.1250 -0.9666 -0.9666 -0.8519 -0.8519 -0.7784 -0.7784 -0.5991 -0.5991 -0.5198 -0.5198 4.5227 4.5227 k = 0.0120 0.0181 0.8632 ( 6332 PWs) bands (ev): -19.8474 -19.8474 -19.7903 -19.7903 -18.3954 -18.3954 -18.3929 -18.3929 -12.7072 -12.7072 -12.6077 -12.6077 -9.1390 -9.1390 -9.0912 -9.0912 -5.5970 -5.5970 -5.2056 -5.2056 -5.0968 -5.0968 -4.5900 -4.5900 -4.5154 -4.5154 -4.5116 -4.5116 -2.8048 -2.8048 -2.6853 -2.6853 -2.0055 -2.0055 -1.9923 -1.9923 -1.9427 -1.9427 -1.7358 -1.7358 -1.5917 -1.5917 -1.4642 -1.4642 -1.1251 -1.1251 -0.9677 -0.9677 -0.8473 -0.8473 -0.7820 -0.7820 -0.5994 -0.5994 -0.5157 -0.5157 4.5158 4.5158 k = 0.0000 0.0000 0.8632 ( 6332 PWs) bands (ev): -19.8474 -19.8474 -19.7903 -19.7903 -18.3954 -18.3954 -18.3929 -18.3929 -12.7073 -12.7073 -12.6076 -12.6076 -9.1390 -9.1390 -9.0911 -9.0911 -5.5983 -5.5983 -5.2053 -5.2053 -5.0969 -5.0969 -4.5904 -4.5904 -4.5135 -4.5135 -4.5118 -4.5118 -2.8065 -2.8065 -2.6854 -2.6854 -2.0056 -2.0056 -1.9919 -1.9919 -1.9431 -1.9431 -1.7346 -1.7346 -1.5917 -1.5917 -1.4642 -1.4642 -1.1251 -1.1251 -0.9681 -0.9681 -0.8456 -0.8456 -0.7834 -0.7834 -0.5995 -0.5995 -0.5143 -0.5143 4.5135 4.5135 k = 0.0000 0.0000 0.8632 ( 6332 PWs) bands (ev): -19.8474 -19.8474 -19.7903 -19.7903 -18.3954 -18.3954 -18.3929 -18.3929 -12.7073 -12.7073 -12.6076 -12.6076 -9.1390 -9.1390 -9.0911 -9.0911 -5.5983 -5.5983 -5.2053 -5.2053 -5.0969 -5.0969 -4.5904 -4.5904 -4.5135 -4.5135 -4.5118 -4.5118 -2.8065 -2.8065 -2.6854 -2.6854 -2.0056 -2.0056 -1.9919 -1.9919 -1.9431 -1.9431 -1.7346 -1.7346 -1.5917 -1.5917 -1.4642 -1.4642 -1.1251 -1.1251 -0.9681 -0.9681 -0.8456 -0.8456 -0.7834 -0.7834 -0.5995 -0.5995 -0.5143 -0.5143 4.5135 4.5135 k = 0.0000 0.0000 0.8417 ( 6328 PWs) bands (ev): -19.8476 -19.8476 -19.7903 -19.7903 -18.3955 -18.3955 -18.3930 -18.3930 -12.7073 -12.7073 -12.6077 -12.6077 -9.1395 -9.1395 -9.0894 -9.0894 -5.5999 -5.5999 -5.2050 -5.2050 -5.0965 -5.0965 -4.5902 -4.5902 -4.5136 -4.5136 -4.5112 -4.5112 -2.8043 -2.8043 -2.6850 -2.6850 -2.0055 -2.0055 -1.9919 -1.9919 -1.9446 -1.9446 -1.7357 -1.7357 -1.5915 -1.5915 -1.4636 -1.4636 -1.1245 -1.1245 -0.9680 -0.9680 -0.8458 -0.8458 -0.7834 -0.7834 -0.5997 -0.5997 -0.5143 -0.5143 4.5145 4.5145 k = 0.0000 0.0000 0.8201 ( 6340 PWs) bands (ev): -19.8479 -19.8479 -19.7906 -19.7906 -18.3956 -18.3956 -18.3931 -18.3931 -12.7074 -12.7074 -12.6079 -12.6079 -9.1408 -9.1408 -9.0848 -9.0848 -5.6046 -5.6046 -5.2040 -5.2040 -5.0953 -5.0953 -4.5896 -4.5896 -4.5140 -4.5140 -4.5098 -4.5098 -2.7976 -2.7976 -2.6838 -2.6838 -2.0054 -2.0054 -1.9922 -1.9922 -1.9490 -1.9490 -1.7390 -1.7390 -1.5910 -1.5910 -1.4620 -1.4620 -1.1226 -1.1226 -0.9678 -0.9678 -0.8464 -0.8464 -0.7833 -0.7833 -0.6003 -0.6003 -0.5143 -0.5143 4.5175 4.5175 k = 0.0000 0.0000 0.7985 ( 6332 PWs) bands (ev): -19.8484 -19.8484 -19.7910 -19.7910 -18.3957 -18.3957 -18.3932 -18.3932 -12.7075 -12.7075 -12.6083 -12.6083 -9.1423 -9.1423 -9.0776 -9.0776 -5.6124 -5.6124 -5.2023 -5.2023 -5.0933 -5.0933 -4.5886 -4.5886 -4.5145 -4.5145 -4.5073 -4.5073 -2.7866 -2.7866 -2.6817 -2.6817 -2.0052 -2.0052 -1.9926 -1.9926 -1.9562 -1.9562 -1.7445 -1.7445 -1.5901 -1.5901 -1.4593 -1.4593 -1.1195 -1.1195 -0.9675 -0.9675 -0.8474 -0.8474 -0.7832 -0.7832 -0.6013 -0.6013 -0.5143 -0.5143 4.5224 4.5225 k = 0.0000 0.0000 0.7769 ( 6336 PWs) bands (ev): -19.8492 -19.8492 -19.7915 -19.7915 -18.3960 -18.3960 -18.3935 -18.3935 -12.7076 -12.7076 -12.6088 -12.6088 -9.1436 -9.1436 -9.0685 -9.0685 -5.6230 -5.6230 -5.1999 -5.1999 -5.0905 -5.0905 -4.5872 -4.5872 -4.5153 -4.5153 -4.5040 -4.5040 -2.7712 -2.7712 -2.6789 -2.6789 -2.0051 -2.0051 -1.9932 -1.9932 -1.9661 -1.9661 -1.7522 -1.7522 -1.5888 -1.5888 -1.4556 -1.4556 -1.1153 -1.1153 -0.9672 -0.9672 -0.8488 -0.8488 -0.7830 -0.7830 -0.6027 -0.6027 -0.5143 -0.5143 4.5292 4.5292 k = 0.0000 0.0000 0.7553 ( 6332 PWs) bands (ev): -19.8501 -19.8501 -19.7922 -19.7922 -18.3963 -18.3963 -18.3937 -18.3937 -12.7078 -12.7078 -12.6095 -12.6095 -9.1443 -9.1443 -9.0578 -9.0578 -5.6365 -5.6365 -5.1968 -5.1968 -5.0868 -5.0868 -4.5854 -4.5854 -4.5164 -4.5164 -4.4998 -4.4998 -2.7516 -2.7516 -2.6753 -2.6753 -2.0052 -2.0052 -1.9942 -1.9942 -1.9778 -1.9778 -1.7622 -1.7622 -1.5871 -1.5871 -1.4509 -1.4509 -1.1099 -1.1099 -0.9667 -0.9667 -0.8505 -0.8505 -0.7828 -0.7828 -0.6044 -0.6044 -0.5144 -0.5144 4.5375 4.5375 k = 0.0000 0.0000 0.7338 ( 6338 PWs) bands (ev): -19.8513 -19.8513 -19.7931 -19.7931 -18.3967 -18.3967 -18.3941 -18.3941 -12.7081 -12.7081 -12.6103 -12.6103 -9.1443 -9.1443 -9.0457 -9.0457 -5.6524 -5.6524 -5.1932 -5.1932 -5.0823 -5.0823 -4.5832 -4.5832 -4.5179 -4.5179 -4.4947 -4.4947 -2.7280 -2.7280 -2.6708 -2.6708 -2.0066 -2.0066 -1.9986 -1.9986 -1.9875 -1.9875 -1.7744 -1.7744 -1.5851 -1.5851 -1.4452 -1.4452 -1.1036 -1.1036 -0.9662 -0.9662 -0.8526 -0.8526 -0.7826 -0.7826 -0.6065 -0.6065 -0.5146 -0.5146 4.5473 4.5473 k = 0.0000 0.0000 0.7122 ( 6340 PWs) bands (ev): -19.8526 -19.8526 -19.7940 -19.7940 -18.3971 -18.3971 -18.3945 -18.3945 -12.7083 -12.7083 -12.6112 -12.6112 -9.1435 -9.1435 -9.0325 -9.0325 -5.6706 -5.6706 -5.1888 -5.1888 -5.0770 -5.0770 -4.5806 -4.5806 -4.5199 -4.5199 -4.4888 -4.4888 -2.7004 -2.7004 -2.6657 -2.6657 -2.0168 -2.0168 -2.0044 -2.0044 -1.9894 -1.9894 -1.7888 -1.7888 -1.5827 -1.5827 -1.4387 -1.4387 -1.0964 -1.0964 -0.9656 -0.9656 -0.8551 -0.8551 -0.7823 -0.7823 -0.6089 -0.6089 -0.5148 -0.5148 4.5582 4.5582 k = 0.0000 0.0000 0.6906 ( 6340 PWs) bands (ev): -19.8541 -19.8541 -19.7951 -19.7951 -18.3976 -18.3976 -18.3950 -18.3950 -12.7086 -12.7086 -12.6122 -12.6122 -9.1417 -9.1417 -9.0182 -9.0182 -5.6908 -5.6908 -5.1839 -5.1839 -5.0708 -5.0708 -4.5776 -4.5776 -4.5224 -4.5224 -4.4821 -4.4821 -2.6692 -2.6692 -2.6597 -2.6597 -2.0357 -2.0357 -2.0065 -2.0065 -1.9885 -1.9885 -1.8053 -1.8053 -1.5799 -1.5799 -1.4313 -1.4313 -1.0884 -1.0884 -0.9651 -0.9651 -0.8579 -0.8579 -0.7819 -0.7819 -0.6116 -0.6116 -0.5152 -0.5152 4.5700 4.5700 k = 0.0000 0.0000 0.6690 ( 6340 PWs) bands (ev): -19.8558 -19.8558 -19.7964 -19.7964 -18.3982 -18.3982 -18.3955 -18.3955 -12.7090 -12.7090 -12.6134 -12.6134 -9.1390 -9.1390 -9.0030 -9.0030 -5.7128 -5.7128 -5.1784 -5.1784 -5.0636 -5.0636 -4.5742 -4.5742 -4.5254 -4.5254 -4.4748 -4.4748 -2.6533 -2.6533 -2.6343 -2.6343 -2.0576 -2.0576 -2.0085 -2.0085 -1.9867 -1.9867 -1.8241 -1.8241 -1.5768 -1.5768 -1.4232 -1.4232 -1.0797 -1.0797 -0.9645 -0.9645 -0.8611 -0.8611 -0.7815 -0.7815 -0.6145 -0.6145 -0.5158 -0.5158 4.5824 4.5824 k = 0.0000 0.0000 0.6474 ( 6340 PWs) bands (ev): -19.8577 -19.8577 -19.7978 -19.7978 -18.3988 -18.3988 -18.3961 -18.3961 -12.7094 -12.7094 -12.6147 -12.6147 -9.1354 -9.1354 -8.9869 -8.9869 -5.7363 -5.7363 -5.1722 -5.1722 -5.0556 -5.0556 -4.5705 -4.5705 -4.5291 -4.5291 -4.4668 -4.4668 -2.6460 -2.6460 -2.5963 -2.5963 -2.0816 -2.0816 -2.0109 -2.0109 -1.9841 -1.9841 -1.8448 -1.8448 -1.5734 -1.5734 -1.4144 -1.4144 -1.0705 -1.0705 -0.9641 -0.9641 -0.8646 -0.8646 -0.7810 -0.7810 -0.6176 -0.6176 -0.5165 -0.5165 4.5951 4.5951 k = 0.0000 0.0000 0.6259 ( 6330 PWs) bands (ev): -19.8597 -19.8597 -19.7992 -19.7992 -18.3995 -18.3995 -18.3967 -18.3967 -12.7098 -12.7098 -12.6161 -12.6161 -9.1309 -9.1309 -8.9700 -8.9700 -5.7611 -5.7611 -5.1654 -5.1654 -5.0467 -5.0467 -4.5664 -4.5664 -4.5333 -4.5333 -4.4582 -4.4582 -2.6381 -2.6381 -2.5553 -2.5553 -2.1077 -2.1077 -2.0136 -2.0136 -1.9809 -1.9809 -1.8675 -1.8675 -1.5696 -1.5696 -1.4050 -1.4050 -1.0608 -1.0608 -0.9637 -0.9637 -0.8683 -0.8683 -0.7805 -0.7805 -0.6210 -0.6210 -0.5174 -0.5174 4.6077 4.6077 k = 0.0000 0.0000 0.6043 ( 6342 PWs) bands (ev): -19.8618 -19.8618 -19.8008 -19.8008 -18.4002 -18.4002 -18.3974 -18.3974 -12.7103 -12.7103 -12.6176 -12.6176 -9.1255 -9.1255 -8.9525 -8.9525 -5.7868 -5.7868 -5.1581 -5.1581 -5.0369 -5.0369 -4.5621 -4.5621 -4.5380 -4.5380 -4.4490 -4.4490 -2.6297 -2.6297 -2.5114 -2.5114 -2.1354 -2.1354 -2.0166 -2.0166 -1.9772 -1.9772 -1.8922 -1.8922 -1.5654 -1.5654 -1.3951 -1.3951 -1.0508 -1.0508 -0.9636 -0.9636 -0.8723 -0.8723 -0.7799 -0.7799 -0.6245 -0.6245 -0.5186 -0.5186 4.6199 4.6199 k = 0.0000 0.0000 0.5827 ( 6334 PWs) bands (ev): -19.8641 -19.8641 -19.8025 -19.8025 -18.4009 -18.4009 -18.3981 -18.3981 -12.7108 -12.7108 -12.6192 -12.6192 -9.1193 -9.1193 -8.9344 -8.9344 -5.8133 -5.8133 -5.1501 -5.1501 -5.0263 -5.0263 -4.5578 -4.5578 -4.5430 -4.5430 -4.4394 -4.4394 -2.6207 -2.6207 -2.4650 -2.4650 -2.1647 -2.1647 -2.0199 -2.0199 -1.9730 -1.9730 -1.9185 -1.9185 -1.5610 -1.5610 -1.3849 -1.3849 -1.0405 -1.0405 -0.9637 -0.9637 -0.8765 -0.8765 -0.7792 -0.7792 -0.6282 -0.6282 -0.5200 -0.5200 4.6316 4.6316 k = 0.0000 0.0000 0.5611 ( 6342 PWs) bands (ev): -19.8665 -19.8665 -19.8042 -19.8042 -18.4017 -18.4017 -18.3988 -18.3988 -12.7114 -12.7114 -12.6208 -12.6208 -9.1124 -9.1124 -8.9159 -8.9159 -5.8402 -5.8402 -5.1416 -5.1416 -5.0147 -5.0147 -4.5548 -4.5548 -4.5469 -4.5469 -4.4293 -4.4293 -2.6112 -2.6112 -2.4164 -2.4164 -2.1955 -2.1955 -2.0235 -2.0235 -1.9684 -1.9684 -1.9464 -1.9464 -1.5562 -1.5562 -1.3743 -1.3743 -1.0300 -1.0300 -0.9640 -0.9640 -0.8809 -0.8809 -0.7785 -0.7785 -0.6320 -0.6320 -0.5218 -0.5218 4.6426 4.6426 k = 0.0000 0.0000 0.5395 ( 6332 PWs) bands (ev): -19.8689 -19.8689 -19.8061 -19.8061 -18.4025 -18.4025 -18.3996 -18.3996 -12.7119 -12.7119 -12.6225 -12.6225 -9.1047 -9.1047 -8.8969 -8.8969 -5.8676 -5.8676 -5.1325 -5.1325 -5.0023 -5.0023 -4.5580 -4.5580 -4.5450 -4.5450 -4.4189 -4.4189 -2.6012 -2.6012 -2.3658 -2.3658 -2.2276 -2.2276 -2.0274 -2.0274 -1.9764 -1.9764 -1.9627 -1.9627 -1.5511 -1.5511 -1.3635 -1.3635 -1.0195 -1.0195 -0.9648 -0.9648 -0.8853 -0.8853 -0.7776 -0.7776 -0.6359 -0.6359 -0.5239 -0.5239 4.6527 4.6527 k = 0.0000 0.0000 0.5179 ( 6330 PWs) bands (ev): -19.8715 -19.8715 -19.8080 -19.8080 -18.4034 -18.4034 -18.4004 -18.4004 -12.7126 -12.7126 -12.6243 -12.6243 -9.0963 -9.0963 -8.8777 -8.8777 -5.8950 -5.8950 -5.1229 -5.1229 -4.9891 -4.9891 -4.5644 -4.5644 -4.5402 -4.5402 -4.4082 -4.4082 -2.5908 -2.5908 -2.3135 -2.3135 -2.2608 -2.2608 -2.0315 -2.0315 -2.0070 -2.0070 -1.9570 -1.9570 -1.5458 -1.5458 -1.3525 -1.3525 -1.0089 -1.0089 -0.9660 -0.9660 -0.8897 -0.8897 -0.7767 -0.7767 -0.6399 -0.6399 -0.5263 -0.5263 4.6617 4.6617 k = 0.0000 0.0000 0.4964 ( 6330 PWs) bands (ev): -19.8741 -19.8741 -19.8099 -19.8099 -18.4042 -18.4042 -18.4012 -18.4012 -12.7132 -12.7132 -12.6261 -12.6261 -9.0874 -9.0874 -8.8582 -8.8582 -5.9223 -5.9223 -5.1126 -5.1126 -4.9750 -4.9750 -4.5715 -4.5715 -4.5348 -4.5348 -4.3973 -4.3973 -2.5801 -2.5801 -2.2958 -2.2958 -2.2590 -2.2590 -2.0391 -2.0391 -2.0356 -2.0356 -1.9508 -1.9508 -1.5401 -1.5401 -1.3415 -1.3415 -0.9985 -0.9985 -0.9677 -0.9677 -0.8941 -0.8941 -0.7757 -0.7757 -0.6441 -0.6441 -0.5291 -0.5291 4.6698 4.6698 k = 0.0000 0.0000 0.4748 ( 6336 PWs) bands (ev): -19.8767 -19.8767 -19.8119 -19.8119 -18.4051 -18.4051 -18.4020 -18.4020 -12.7139 -12.7139 -12.6280 -12.6280 -9.0780 -9.0780 -8.8387 -8.8387 -5.9495 -5.9495 -5.1018 -5.1018 -4.9603 -4.9603 -4.5792 -4.5792 -4.5291 -4.5291 -4.3863 -4.3863 -2.5691 -2.5691 -2.3309 -2.3309 -2.2042 -2.2042 -2.0719 -2.0719 -2.0403 -2.0403 -1.9440 -1.9440 -1.5343 -1.5343 -1.3306 -1.3306 -0.9885 -0.9885 -0.9697 -0.9697 -0.8983 -0.8983 -0.7747 -0.7747 -0.6483 -0.6483 -0.5323 -0.5323 4.6769 4.6769 k = 0.0000 0.0000 0.4532 ( 6332 PWs) bands (ev): -19.8794 -19.8794 -19.8139 -19.8139 -18.4060 -18.4060 -18.4029 -18.4029 -12.7145 -12.7145 -12.6299 -12.6299 -9.0681 -9.0681 -8.8191 -8.8191 -5.9763 -5.9763 -5.0904 -5.0904 -4.9449 -4.9449 -4.5871 -4.5871 -4.5233 -4.5233 -4.3751 -4.3751 -2.5578 -2.5578 -2.3671 -2.3671 -2.1485 -2.1485 -2.1054 -2.1054 -2.0450 -2.0450 -1.9367 -1.9367 -1.5282 -1.5282 -1.3198 -1.3198 -0.9803 -0.9803 -0.9708 -0.9708 -0.9023 -0.9023 -0.7736 -0.7736 -0.6526 -0.6526 -0.5360 -0.5360 4.6829 4.6829 k = 0.0000 0.0000 0.4316 ( 6344 PWs) bands (ev): -19.8821 -19.8821 -19.8159 -19.8159 -18.4069 -18.4069 -18.4037 -18.4037 -12.7152 -12.7152 -12.6317 -12.6317 -9.0579 -9.0579 -8.7997 -8.7997 -6.0025 -6.0025 -5.0785 -5.0785 -4.9289 -4.9289 -4.5953 -4.5953 -4.5174 -4.5174 -4.3639 -4.3639 -2.5464 -2.5464 -2.4040 -2.4040 -2.1407 -2.1407 -2.0908 -2.0908 -2.0499 -2.0499 -1.9289 -1.9289 -1.5219 -1.5219 -1.3091 -1.3091 -0.9798 -0.9798 -0.9651 -0.9651 -0.9060 -0.9060 -0.7724 -0.7724 -0.6570 -0.6570 -0.5401 -0.5401 4.6879 4.6879 k = 0.0000 0.0000 0.4100 ( 6354 PWs) bands (ev): -19.8847 -19.8847 -19.8179 -19.8179 -18.4078 -18.4078 -18.4045 -18.4045 -12.7159 -12.7159 -12.6336 -12.6336 -9.0474 -9.0474 -8.7804 -8.7804 -6.0281 -6.0281 -5.0660 -5.0660 -4.9123 -4.9123 -4.6036 -4.6036 -4.5115 -4.5115 -4.3527 -4.3527 -2.5348 -2.5348 -2.4414 -2.4414 -2.1753 -2.1753 -2.0550 -2.0550 -2.0339 -2.0339 -1.9207 -1.9207 -1.5154 -1.5154 -1.2987 -1.2987 -0.9838 -0.9838 -0.9559 -0.9559 -0.9094 -0.9094 -0.7712 -0.7712 -0.6616 -0.6616 -0.5447 -0.5447 4.6919 4.6919 k = 0.0000 0.0000 0.3885 ( 6346 PWs) bands (ev): -19.8874 -19.8874 -19.8199 -19.8199 -18.4087 -18.4087 -18.4054 -18.4054 -12.7167 -12.7167 -12.6355 -12.6355 -9.0367 -9.0367 -8.7615 -8.7615 -6.0530 -6.0530 -5.0531 -5.0531 -4.8953 -4.8953 -4.6119 -4.6119 -4.5056 -4.5056 -4.3417 -4.3417 -2.5231 -2.5231 -2.4792 -2.4792 -2.2103 -2.2103 -2.0602 -2.0602 -1.9765 -1.9765 -1.9120 -1.9120 -1.5088 -1.5088 -1.2886 -1.2886 -0.9891 -0.9891 -0.9465 -0.9465 -0.9124 -0.9124 -0.7699 -0.7699 -0.6663 -0.6663 -0.5497 -0.5497 4.6951 4.6951 k = 0.0000 0.0000 0.3669 ( 6358 PWs) bands (ev): -19.8900 -19.8900 -19.8219 -19.8219 -18.4096 -18.4096 -18.4062 -18.4062 -12.7174 -12.7174 -12.6373 -12.6373 -9.0259 -9.0259 -8.7429 -8.7429 -6.0770 -6.0770 -5.0398 -5.0398 -4.8779 -4.8779 -4.6202 -4.6202 -4.4998 -4.4998 -4.3308 -4.3308 -2.5178 -2.5178 -2.5109 -2.5109 -2.2453 -2.2453 -2.0655 -2.0655 -1.9195 -1.9195 -1.9026 -1.9026 -1.5021 -1.5021 -1.2789 -1.2789 -0.9952 -0.9952 -0.9373 -0.9373 -0.9151 -0.9151 -0.7686 -0.7686 -0.6711 -0.6711 -0.5552 -0.5552 4.6974 4.6974 k = 0.0000 0.0000 0.3453 ( 6363 PWs) bands (ev): -19.8925 -19.8925 -19.8238 -19.8238 -18.4104 -18.4104 -18.4070 -18.4070 -12.7181 -12.7181 -12.6391 -12.6391 -9.0151 -9.0151 -8.7248 -8.7248 -6.1001 -6.1001 -5.0261 -5.0261 -4.8602 -4.8602 -4.6284 -4.6284 -4.4941 -4.4941 -4.3201 -4.3201 -2.5554 -2.5554 -2.4996 -2.4996 -2.2801 -2.2801 -2.0709 -2.0709 -1.8942 -1.8942 -1.8615 -1.8615 -1.4953 -1.4953 -1.2696 -1.2696 -1.0020 -1.0020 -0.9286 -0.9286 -0.9174 -0.9174 -0.7672 -0.7672 -0.6763 -0.6763 -0.5611 -0.5611 4.6988 4.6988 k = 0.0000 0.0000 0.3237 ( 6363 PWs) bands (ev): -19.8950 -19.8950 -19.8257 -19.8257 -18.4113 -18.4113 -18.4078 -18.4078 -12.7188 -12.7188 -12.6409 -12.6409 -9.0044 -9.0044 -8.7073 -8.7073 -6.1221 -6.1221 -5.0122 -5.0122 -4.8424 -4.8424 -4.6365 -4.6365 -4.4886 -4.4886 -4.3097 -4.3097 -2.5933 -2.5933 -2.4881 -2.4881 -2.3144 -2.3144 -2.0764 -2.0764 -1.8845 -1.8845 -1.8050 -1.8050 -1.4886 -1.4886 -1.2607 -1.2607 -1.0092 -1.0092 -0.9226 -0.9226 -0.9171 -0.9171 -0.7659 -0.7659 -0.6817 -0.6817 -0.5674 -0.5674 4.6996 4.6996 k = 0.0000 0.0000 0.3021 ( 6357 PWs) bands (ev): -19.8974 -19.8974 -19.8276 -19.8276 -18.4121 -18.4121 -18.4086 -18.4086 -12.7195 -12.7195 -12.6426 -12.6426 -8.9939 -8.9939 -8.6905 -8.6905 -6.1430 -6.1430 -4.9981 -4.9981 -4.8246 -4.8246 -4.6443 -4.6443 -4.4832 -4.4832 -4.2997 -4.2997 -2.6307 -2.6307 -2.4767 -2.4767 -2.3480 -2.3480 -2.0820 -2.0820 -1.8748 -1.8748 -1.7491 -1.7491 -1.4818 -1.4818 -1.2524 -1.2524 -1.0169 -1.0169 -0.9233 -0.9233 -0.9103 -0.9103 -0.7645 -0.7645 -0.6875 -0.6875 -0.5740 -0.5740 4.6997 4.6997 k = 0.0000 0.0000 0.2806 ( 6349 PWs) bands (ev): -19.8997 -19.8997 -19.8293 -19.8293 -18.4129 -18.4129 -18.4093 -18.4093 -12.7202 -12.7202 -12.6442 -12.6442 -8.9836 -8.9836 -8.6745 -8.6745 -6.1627 -6.1627 -4.9839 -4.9839 -4.8069 -4.8069 -4.6518 -4.6518 -4.4781 -4.4781 -4.2901 -4.2901 -2.6676 -2.6676 -2.4655 -2.4655 -2.3808 -2.3808 -2.0876 -2.0876 -1.8649 -1.8649 -1.6942 -1.6942 -1.4751 -1.4751 -1.2445 -1.2445 -1.0248 -1.0248 -0.9253 -0.9253 -0.9026 -0.9026 -0.7631 -0.7631 -0.6938 -0.6938 -0.5808 -0.5808 4.6991 4.6991 k = 0.0000 0.0000 0.2590 ( 6345 PWs) bands (ev): -19.9019 -19.9019 -19.8310 -19.8310 -18.4136 -18.4136 -18.4100 -18.4100 -12.7208 -12.7208 -12.6458 -12.6458 -8.9737 -8.9737 -8.6592 -8.6592 -6.1812 -6.1812 -4.9697 -4.9697 -4.7894 -4.7894 -4.6589 -4.6589 -4.4732 -4.4732 -4.2809 -4.2809 -2.7035 -2.7035 -2.4546 -2.4546 -2.4123 -2.4123 -2.0932 -2.0932 -1.8551 -1.8551 -1.6406 -1.6406 -1.4686 -1.4686 -1.2372 -1.2372 -1.0328 -1.0328 -0.9273 -0.9273 -0.8952 -0.8952 -0.7618 -0.7618 -0.7008 -0.7008 -0.5877 -0.5877 4.6981 4.6981 k = 0.0000 0.0000 0.2374 ( 6351 PWs) bands (ev): -19.9040 -19.9040 -19.8326 -19.8326 -18.4143 -18.4143 -18.4107 -18.4107 -12.7214 -12.7214 -12.6472 -12.6472 -8.9642 -8.9642 -8.6449 -8.6449 -6.1984 -6.1984 -4.9558 -4.9558 -4.7724 -4.7724 -4.6657 -4.6657 -4.4686 -4.4686 -4.2723 -4.2723 -2.7382 -2.7382 -2.4447 -2.4447 -2.4419 -2.4419 -2.0987 -2.0987 -1.8454 -1.8454 -1.5885 -1.5885 -1.4622 -1.4622 -1.2305 -1.2305 -1.0408 -1.0408 -0.9293 -0.9293 -0.8883 -0.8883 -0.7605 -0.7605 -0.7085 -0.7085 -0.5945 -0.5945 4.6967 4.6967 k = 0.0000 0.0000 0.2158 ( 6355 PWs) bands (ev): -19.9059 -19.9059 -19.8340 -19.8340 -18.4149 -18.4149 -18.4113 -18.4113 -12.7220 -12.7220 -12.6486 -12.6486 -8.9553 -8.9553 -8.6317 -8.6317 -6.2143 -6.2143 -4.9422 -4.9422 -4.7560 -4.7560 -4.6719 -4.6719 -4.4644 -4.4644 -4.2643 -4.2643 -2.7714 -2.7714 -2.4711 -2.4711 -2.4339 -2.4339 -2.1041 -2.1041 -1.8359 -1.8359 -1.5381 -1.5381 -1.4561 -1.4561 -1.2243 -1.2243 -1.0488 -1.0488 -0.9313 -0.9313 -0.8819 -0.8819 -0.7593 -0.7593 -0.7171 -0.7171 -0.6012 -0.6012 4.6950 4.6950 k = 0.0000 0.0000 0.1942 ( 6367 PWs) bands (ev): -19.9077 -19.9077 -19.8354 -19.8354 -18.4156 -18.4156 -18.4119 -18.4119 -12.7226 -12.7226 -12.6499 -12.6499 -8.9469 -8.9469 -8.6194 -8.6194 -6.2288 -6.2288 -4.9291 -4.9291 -4.7404 -4.7404 -4.6776 -4.6776 -4.4604 -4.4604 -4.2569 -4.2569 -2.8028 -2.8028 -2.4978 -2.4978 -2.4244 -2.4244 -2.1094 -2.1094 -1.8268 -1.8268 -1.4901 -1.4901 -1.4501 -1.4501 -1.2188 -1.2188 -1.0565 -1.0565 -0.9332 -0.9332 -0.8759 -0.8759 -0.7582 -0.7582 -0.7265 -0.7265 -0.6074 -0.6074 4.6931 4.6931 k = 0.0000 0.0000 0.1726 ( 6371 PWs) bands (ev): -19.9093 -19.9093 -19.8367 -19.8367 -18.4161 -18.4161 -18.4124 -18.4124 -12.7231 -12.7231 -12.6510 -12.6510 -8.9392 -8.9392 -8.6083 -8.6083 -6.2418 -6.2418 -4.9168 -4.9168 -4.7261 -4.7261 -4.6825 -4.6825 -4.4568 -4.4568 -4.2501 -4.2501 -2.8321 -2.8321 -2.5224 -2.5224 -2.4154 -2.4154 -2.1144 -2.1144 -1.8181 -1.8181 -1.4493 -1.4493 -1.4397 -1.4397 -1.2138 -1.2138 -1.0638 -1.0638 -0.9350 -0.9350 -0.8705 -0.8705 -0.7572 -0.7572 -0.7368 -0.7368 -0.6132 -0.6132 4.6911 4.6911 k = 0.0000 0.0000 0.1511 ( 6369 PWs) bands (ev): -19.9108 -19.9108 -19.8378 -19.8378 -18.4166 -18.4166 -18.4129 -18.4129 -12.7235 -12.7235 -12.6521 -12.6521 -8.9322 -8.9322 -8.5984 -8.5984 -6.2534 -6.2534 -4.9053 -4.9053 -4.7135 -4.7135 -4.6861 -4.6861 -4.4536 -4.4536 -4.2440 -4.2440 -2.8590 -2.8590 -2.5447 -2.5447 -2.4072 -2.4072 -2.1191 -2.1191 -1.8100 -1.8100 -1.4410 -1.4410 -1.4000 -1.4000 -1.2094 -1.2094 -1.0706 -1.0706 -0.9367 -0.9367 -0.8657 -0.8657 -0.7570 -0.7570 -0.7473 -0.7473 -0.6183 -0.6183 4.6890 4.6890 k = 0.0000 0.0000 0.1295 ( 6365 PWs) bands (ev): -19.9121 -19.9121 -19.8388 -19.8388 -18.4170 -18.4170 -18.4133 -18.4133 -12.7239 -12.7239 -12.6530 -12.6530 -8.9260 -8.9260 -8.5897 -8.5897 -6.2635 -6.2635 -4.8949 -4.8949 -4.7044 -4.7044 -4.6870 -4.6870 -4.4508 -4.4508 -4.2387 -4.2387 -2.8830 -2.8830 -2.5645 -2.5645 -2.3997 -2.3997 -2.1235 -2.1235 -1.8026 -1.8026 -1.4365 -1.4365 -1.3605 -1.3605 -1.2056 -1.2056 -1.0768 -1.0768 -0.9382 -0.9382 -0.8615 -0.8615 -0.7620 -0.7620 -0.7532 -0.7532 -0.6227 -0.6227 4.6870 4.6870 k = 0.0000 0.0000 0.1079 ( 6361 PWs) bands (ev): -19.9132 -19.9132 -19.8396 -19.8396 -18.4174 -18.4174 -18.4137 -18.4137 -12.7243 -12.7243 -12.6538 -12.6538 -8.9207 -8.9207 -8.5822 -8.5822 -6.2721 -6.2721 -4.8858 -4.8858 -4.7017 -4.7017 -4.6824 -4.6824 -4.4484 -4.4484 -4.2341 -4.2341 -2.9040 -2.9040 -2.5816 -2.5816 -2.3932 -2.3932 -2.1274 -2.1274 -1.7961 -1.7961 -1.4326 -1.4326 -1.3247 -1.3247 -1.2024 -1.2024 -1.0823 -1.0823 -0.9396 -0.9396 -0.8579 -0.8579 -0.7731 -0.7731 -0.7533 -0.7533 -0.6264 -0.6264 4.6852 4.6852 k = 0.0000 0.0000 0.0863 ( 6363 PWs) bands (ev): -19.9141 -19.9141 -19.8403 -19.8403 -18.4177 -18.4177 -18.4140 -18.4140 -12.7246 -12.7246 -12.6544 -12.6544 -8.9163 -8.9163 -8.5761 -8.5761 -6.2792 -6.2792 -4.8780 -4.8780 -4.7028 -4.7028 -4.6752 -4.6752 -4.4464 -4.4464 -4.2304 -4.2304 -2.9216 -2.9216 -2.5959 -2.5959 -2.3876 -2.3876 -2.1308 -2.1308 -1.7906 -1.7906 -1.4294 -1.4294 -1.2934 -1.2934 -1.1998 -1.1998 -1.0869 -1.0869 -0.9408 -0.9408 -0.8549 -0.8549 -0.7846 -0.7846 -0.7529 -0.7529 -0.6294 -0.6294 4.6836 4.6836 k = 0.0000 0.0000 0.0647 ( 6371 PWs) bands (ev): -19.9148 -19.9148 -19.8409 -19.8409 -18.4180 -18.4180 -18.4142 -18.4142 -12.7248 -12.7248 -12.6549 -12.6549 -8.9128 -8.9128 -8.5713 -8.5713 -6.2846 -6.2846 -4.8719 -4.8719 -4.7044 -4.7044 -4.6686 -4.6686 -4.4448 -4.4448 -4.2274 -4.2274 -2.9356 -2.9356 -2.6072 -2.6072 -2.3832 -2.3832 -2.1335 -2.1335 -1.7862 -1.7862 -1.4269 -1.4269 -1.2675 -1.2675 -1.1979 -1.1979 -1.0907 -1.0907 -0.9417 -0.9417 -0.8525 -0.8525 -0.7950 -0.7950 -0.7524 -0.7524 -0.6317 -0.6317 4.6823 4.6823 k = 0.0000 0.0000 0.0432 ( 6367 PWs) bands (ev): -19.9153 -19.9153 -19.8412 -19.8412 -18.4181 -18.4181 -18.4144 -18.4144 -12.7250 -12.7250 -12.6553 -12.6553 -8.9103 -8.9103 -8.5679 -8.5679 -6.2886 -6.2886 -4.8674 -4.8674 -4.7058 -4.7058 -4.6636 -4.6636 -4.4437 -4.4437 -4.2253 -4.2253 -2.9458 -2.9458 -2.6153 -2.6153 -2.3800 -2.3800 -2.1355 -2.1355 -1.7830 -1.7830 -1.4251 -1.4251 -1.2480 -1.2480 -1.1965 -1.1965 -1.0934 -1.0934 -0.9424 -0.9424 -0.8508 -0.8508 -0.8034 -0.8034 -0.7521 -0.7521 -0.6333 -0.6333 4.6813 4.6813 k = 0.0000 0.0000 0.0216 ( 6367 PWs) bands (ev): -19.9156 -19.9156 -19.8415 -19.8415 -18.4182 -18.4182 -18.4144 -18.4144 -12.7251 -12.7251 -12.6555 -12.6555 -8.9088 -8.9088 -8.5658 -8.5658 -6.2910 -6.2910 -4.8646 -4.8646 -4.7066 -4.7066 -4.6605 -4.6605 -4.4430 -4.4430 -4.2240 -4.2240 -2.9520 -2.9520 -2.6202 -2.6202 -2.3780 -2.3780 -2.1368 -2.1368 -1.7810 -1.7810 -1.4239 -1.4239 -1.2358 -1.2358 -1.1957 -1.1957 -1.0950 -1.0950 -0.9429 -0.9429 -0.8498 -0.8498 -0.8090 -0.8090 -0.7518 -0.7518 -0.6343 -0.6343 4.6807 4.6807 k = 0.0000 0.0000 0.0000 ( 6373 PWs) bands (ev): -19.9157 -19.9157 -19.8416 -19.8416 -18.4183 -18.4183 -18.4145 -18.4145 -12.7251 -12.7251 -12.6556 -12.6556 -8.9083 -8.9083 -8.5651 -8.5651 -6.2917 -6.2917 -4.8637 -4.8637 -4.7069 -4.7069 -4.6594 -4.6594 -4.4428 -4.4428 -4.2236 -4.2236 -2.9540 -2.9540 -2.6218 -2.6218 -2.3773 -2.3773 -2.1372 -2.1372 -1.7803 -1.7803 -1.4236 -1.4236 -1.2316 -1.2316 -1.1955 -1.1955 -1.0956 -1.0956 -0.9430 -0.9430 -0.8495 -0.8495 -0.8109 -0.8109 -0.7518 -0.7518 -0.6346 -0.6346 4.6805 4.6805 k = 0.0000 0.0000 0.0000 ( 6373 PWs) bands (ev): -19.9157 -19.9157 -19.8416 -19.8416 -18.4183 -18.4183 -18.4145 -18.4145 -12.7251 -12.7251 -12.6556 -12.6556 -8.9083 -8.9083 -8.5651 -8.5651 -6.2917 -6.2917 -4.8637 -4.8637 -4.7069 -4.7069 -4.6594 -4.6594 -4.4428 -4.4428 -4.2236 -4.2236 -2.9540 -2.9540 -2.6218 -2.6218 -2.3773 -2.3773 -2.1372 -2.1372 -1.7803 -1.7803 -1.4236 -1.4236 -1.2316 -1.2316 -1.1955 -1.1955 -1.0956 -1.0956 -0.9430 -0.9430 -0.8495 -0.8495 -0.8109 -0.8109 -0.7518 -0.7518 -0.6346 -0.6346 4.6805 4.6805 k =-0.0179 0.0118 0.0000 ( 6375 PWs) bands (ev): -19.9156 -19.9156 -19.8416 -19.8416 -18.4182 -18.4182 -18.4146 -18.4146 -12.7250 -12.7250 -12.6556 -12.6556 -8.9082 -8.9082 -8.5652 -8.5652 -6.2915 -6.2915 -4.8636 -4.8636 -4.7069 -4.7069 -4.6617 -4.6617 -4.4407 -4.4407 -4.2236 -4.2236 -2.9542 -2.9542 -2.6221 -2.6221 -2.3786 -2.3786 -2.1376 -2.1376 -1.7792 -1.7792 -1.4242 -1.4242 -1.2322 -1.2322 -1.1946 -1.1946 -1.0951 -1.0951 -0.9430 -0.9430 -0.8493 -0.8493 -0.8106 -0.8106 -0.7512 -0.7512 -0.6342 -0.6342 4.6810 4.6810 k =-0.0357 0.0236 0.0000 ( 6371 PWs) bands (ev): -19.9154 -19.9154 -19.8418 -19.8418 -18.4179 -18.4179 -18.4149 -18.4149 -12.7249 -12.7249 -12.6556 -12.6556 -8.9081 -8.9081 -8.5654 -8.5654 -6.2907 -6.2907 -4.8632 -4.8632 -4.7068 -4.7068 -4.6683 -4.6683 -4.4348 -4.4348 -4.2235 -4.2235 -2.9548 -2.9548 -2.6229 -2.6229 -2.3824 -2.3824 -2.1390 -2.1390 -1.7760 -1.7760 -1.4259 -1.4259 -1.2339 -1.2339 -1.1920 -1.1920 -1.0938 -1.0938 -0.9431 -0.9431 -0.8488 -0.8488 -0.8098 -0.8098 -0.7495 -0.7495 -0.6328 -0.6328 4.6824 4.6824 k =-0.0536 0.0354 0.0000 ( 6357 PWs) bands (ev): -19.9151 -19.9151 -19.8420 -19.8420 -18.4175 -18.4175 -18.4154 -18.4154 -12.7246 -12.7246 -12.6557 -12.6557 -8.9078 -8.9078 -8.5658 -8.5658 -6.2893 -6.2893 -4.8625 -4.8625 -4.7070 -4.7070 -4.6783 -4.6783 -4.4258 -4.4258 -4.2234 -4.2234 -2.9557 -2.9557 -2.6242 -2.6242 -2.3887 -2.3887 -2.1413 -2.1413 -1.7707 -1.7707 -1.4289 -1.4289 -1.2367 -1.2367 -1.1877 -1.1877 -1.0914 -1.0914 -0.9432 -0.9432 -0.8481 -0.8481 -0.8085 -0.8085 -0.7467 -0.7467 -0.6306 -0.6306 4.6847 4.6847 k =-0.0714 0.0471 0.0000 ( 6361 PWs) bands (ev): -19.9147 -19.9147 -19.8424 -19.8424 -18.4170 -18.4170 -18.4161 -18.4161 -12.7242 -12.7242 -12.6559 -12.6559 -8.9075 -8.9075 -8.5664 -8.5664 -6.2874 -6.2874 -4.8617 -4.8617 -4.7086 -4.7086 -4.6895 -4.6895 -4.4146 -4.4146 -4.2232 -4.2232 -2.9569 -2.9569 -2.6260 -2.6260 -2.3972 -2.3972 -2.1444 -2.1444 -1.7633 -1.7633 -1.4331 -1.4331 -1.2406 -1.2406 -1.1819 -1.1819 -1.0881 -1.0881 -0.9433 -0.9433 -0.8470 -0.8470 -0.8066 -0.8066 -0.7429 -0.7429 -0.6276 -0.6276 4.6880 4.6880 k =-0.0893 0.0589 0.0000 ( 6361 PWs) bands (ev): -19.9142 -19.9142 -19.8428 -19.8428 -18.4171 -18.4171 -18.4163 -18.4163 -12.7237 -12.7237 -12.6560 -12.6560 -8.9070 -8.9070 -8.5671 -8.5671 -6.2850 -6.2850 -4.8605 -4.8605 -4.7156 -4.7156 -4.6972 -4.6972 -4.4019 -4.4019 -4.2229 -4.2229 -2.9584 -2.9584 -2.6283 -2.6283 -2.4080 -2.4080 -2.1484 -2.1484 -1.7539 -1.7539 -1.4386 -1.4386 -1.2453 -1.2453 -1.1749 -1.1749 -1.0837 -1.0837 -0.9435 -0.9435 -0.8457 -0.8457 -0.8042 -0.8042 -0.7383 -0.7383 -0.6237 -0.6237 4.6922 4.6922 k =-0.1071 0.0707 0.0000 ( 6363 PWs) bands (ev): -19.9135 -19.9135 -19.8433 -19.8433 -18.4182 -18.4182 -18.4154 -18.4154 -12.7231 -12.7231 -12.6562 -12.6562 -8.9064 -8.9064 -8.5680 -8.5680 -6.2822 -6.2822 -4.8592 -4.8592 -4.7298 -4.7298 -4.6988 -4.6988 -4.3884 -4.3884 -4.2226 -4.2226 -2.9602 -2.9602 -2.6310 -2.6310 -2.4206 -2.4206 -2.1531 -2.1531 -1.7426 -1.7426 -1.4455 -1.4455 -1.2508 -1.2508 -1.1667 -1.1667 -1.0782 -1.0782 -0.9438 -0.9438 -0.8441 -0.8441 -0.8012 -0.8012 -0.7330 -0.7330 -0.6191 -0.6191 4.6973 4.6973 k =-0.1250 0.0825 0.0000 ( 6369 PWs) bands (ev): -19.9128 -19.9128 -19.8439 -19.8439 -18.4194 -18.4194 -18.4145 -18.4145 -12.7224 -12.7224 -12.6565 -12.6565 -8.9058 -8.9058 -8.5689 -8.5689 -6.2789 -6.2789 -4.8577 -4.8577 -4.7469 -4.7469 -4.6984 -4.6984 -4.3745 -4.3745 -4.2223 -4.2223 -2.9622 -2.9622 -2.6341 -2.6341 -2.4349 -2.4349 -2.1585 -2.1585 -1.7294 -1.7294 -1.4538 -1.4538 -1.2570 -1.2570 -1.1577 -1.1577 -1.0716 -1.0716 -0.9443 -0.9443 -0.8423 -0.8423 -0.7975 -0.7975 -0.7271 -0.7271 -0.6137 -0.6137 4.7032 4.7032 k =-0.1429 0.0943 0.0000 ( 6373 PWs) bands (ev): -19.9120 -19.9120 -19.8446 -19.8446 -18.4208 -18.4208 -18.4134 -18.4134 -12.7216 -12.7216 -12.6567 -12.6567 -8.9051 -8.9051 -8.5701 -8.5701 -6.2752 -6.2752 -4.8560 -4.8560 -4.7649 -4.7649 -4.6973 -4.6973 -4.3606 -4.3606 -4.2218 -4.2218 -2.9644 -2.9644 -2.6376 -2.6376 -2.4506 -2.4506 -2.1646 -2.1646 -1.7146 -1.7146 -1.4635 -1.4635 -1.2636 -1.2636 -1.1480 -1.1480 -1.0639 -1.0639 -0.9449 -0.9449 -0.8404 -0.8404 -0.7933 -0.7933 -0.7207 -0.7207 -0.6076 -0.6076 4.7099 4.7099 k =-0.1607 0.1061 0.0000 ( 6363 PWs) bands (ev): -19.9111 -19.9111 -19.8453 -19.8453 -18.4224 -18.4224 -18.4122 -18.4122 -12.7208 -12.7208 -12.6570 -12.6570 -8.9043 -8.9043 -8.5713 -8.5713 -6.2712 -6.2712 -4.8542 -4.8542 -4.7833 -4.7833 -4.6958 -4.6958 -4.3470 -4.3470 -4.2213 -4.2213 -2.9666 -2.9666 -2.6414 -2.6414 -2.4675 -2.4675 -2.1712 -2.1712 -1.6981 -1.6981 -1.4744 -1.4744 -1.2707 -1.2707 -1.1381 -1.1381 -1.0550 -1.0550 -0.9457 -0.9457 -0.8384 -0.8384 -0.7884 -0.7884 -0.7141 -0.7141 -0.6009 -0.6009 4.7175 4.7175 k =-0.1786 0.1179 0.0000 ( 6360 PWs) bands (ev): -19.9101 -19.9101 -19.8461 -19.8461 -18.4240 -18.4240 -18.4110 -18.4110 -12.7199 -12.7199 -12.6573 -12.6573 -8.9034 -8.9034 -8.5726 -8.5726 -6.2668 -6.2668 -4.8523 -4.8523 -4.8018 -4.8018 -4.6941 -4.6941 -4.3338 -4.3338 -4.2206 -4.2206 -2.9690 -2.9690 -2.6454 -2.6454 -2.4853 -2.4853 -2.1782 -2.1782 -1.6802 -1.6802 -1.4866 -1.4866 -1.2780 -1.2780 -1.1280 -1.1280 -1.0452 -1.0452 -0.9467 -0.9467 -0.8362 -0.8362 -0.7830 -0.7830 -0.7074 -0.7074 -0.5937 -0.5937 4.7258 4.7258 k =-0.1964 0.1296 0.0000 ( 6364 PWs) bands (ev): -19.9091 -19.9091 -19.8469 -19.8469 -18.4258 -18.4258 -18.4096 -18.4096 -12.7189 -12.7189 -12.6576 -12.6576 -8.9026 -8.9026 -8.5739 -8.5739 -6.2622 -6.2622 -4.8502 -4.8502 -4.8200 -4.8200 -4.6922 -4.6922 -4.3212 -4.3212 -4.2199 -4.2199 -2.9714 -2.9714 -2.6496 -2.6496 -2.5037 -2.5037 -2.1857 -2.1857 -1.6610 -1.6610 -1.4999 -1.4999 -1.2854 -1.2854 -1.1180 -1.1180 -1.0346 -1.0346 -0.9481 -0.9481 -0.8341 -0.8341 -0.7769 -0.7769 -0.7006 -0.7006 -0.5860 -0.5860 4.7347 4.7347 k =-0.2143 0.1414 0.0000 ( 6356 PWs) bands (ev): -19.9080 -19.9080 -19.8478 -19.8478 -18.4276 -18.4276 -18.4083 -18.4083 -12.7179 -12.7179 -12.6579 -12.6579 -8.9016 -8.9016 -8.5754 -8.5754 -6.2573 -6.2573 -4.8482 -4.8482 -4.8379 -4.8379 -4.6902 -4.6902 -4.3092 -4.3092 -4.2191 -4.2191 -2.9737 -2.9737 -2.6540 -2.6540 -2.5225 -2.5225 -2.1933 -2.1933 -1.6406 -1.6406 -1.5141 -1.5141 -1.2929 -1.2929 -1.1082 -1.1082 -1.0232 -1.0232 -0.9497 -0.9497 -0.8319 -0.8319 -0.7703 -0.7703 -0.6938 -0.6938 -0.5780 -0.5780 4.7444 4.7444 k =-0.2321 0.1532 0.0000 ( 6360 PWs) bands (ev): -19.9069 -19.9069 -19.8487 -19.8487 -18.4295 -18.4295 -18.4068 -18.4068 -12.7169 -12.7169 -12.6583 -12.6583 -8.9007 -8.9007 -8.5769 -8.5769 -6.2523 -6.2523 -4.8553 -4.8553 -4.8460 -4.8460 -4.6882 -4.6882 -4.2980 -4.2980 -4.2183 -4.2183 -2.9759 -2.9759 -2.6584 -2.6584 -2.5414 -2.5414 -2.2012 -2.2012 -1.6194 -1.6194 -1.5291 -1.5291 -1.3003 -1.3003 -1.0990 -1.0990 -1.0112 -1.0112 -0.9517 -0.9517 -0.8297 -0.8297 -0.7632 -0.7632 -0.6872 -0.6872 -0.5698 -0.5698 4.7546 4.7546 k =-0.2500 0.1650 0.0000 ( 6352 PWs) bands (ev): -19.9058 -19.9058 -19.8496 -19.8496 -18.4314 -18.4314 -18.4054 -18.4054 -12.7159 -12.7159 -12.6586 -12.6586 -8.8997 -8.8997 -8.5783 -8.5783 -6.2473 -6.2473 -4.8719 -4.8719 -4.8439 -4.8439 -4.6861 -4.6861 -4.2875 -4.2875 -4.2173 -4.2173 -2.9781 -2.9781 -2.6628 -2.6628 -2.5603 -2.5603 -2.2091 -2.2091 -1.5974 -1.5974 -1.5446 -1.5446 -1.3076 -1.3076 -1.0903 -1.0903 -0.9989 -0.9989 -0.9541 -0.9541 -0.8276 -0.8276 -0.7556 -0.7556 -0.6807 -0.6807 -0.5615 -0.5615 4.7653 4.7653 k =-0.2679 0.1768 0.0000 ( 6354 PWs) bands (ev): -19.9047 -19.9047 -19.8504 -19.8504 -18.4333 -18.4333 -18.4040 -18.4040 -12.7148 -12.7148 -12.6590 -12.6590 -8.8988 -8.8988 -8.5799 -8.5799 -6.2422 -6.2422 -4.8878 -4.8878 -4.8418 -4.8418 -4.6839 -4.6839 -4.2777 -4.2777 -4.2163 -4.2163 -2.9801 -2.9801 -2.6673 -2.6673 -2.5788 -2.5788 -2.2170 -2.2170 -1.5750 -1.5750 -1.5603 -1.5603 -1.3147 -1.3147 -1.0822 -1.0822 -0.9864 -0.9864 -0.9569 -0.9569 -0.8256 -0.8256 -0.7478 -0.7478 -0.6745 -0.6745 -0.5532 -0.5532 4.7765 4.7765 k =-0.2857 0.1886 0.0000 ( 6352 PWs) bands (ev): -19.9036 -19.9036 -19.8513 -19.8513 -18.4352 -18.4352 -18.4026 -18.4026 -12.7138 -12.7138 -12.6593 -12.6593 -8.8978 -8.8978 -8.5813 -8.5813 -6.2372 -6.2372 -4.9027 -4.9027 -4.8398 -4.8398 -4.6818 -4.6818 -4.2688 -4.2688 -4.2152 -4.2152 -2.9819 -2.9819 -2.6716 -2.6716 -2.5968 -2.5968 -2.2247 -2.2247 -1.5763 -1.5763 -1.5521 -1.5521 -1.3214 -1.3214 -1.0748 -1.0748 -0.9741 -0.9741 -0.9600 -0.9600 -0.8237 -0.8237 -0.7397 -0.7397 -0.6686 -0.6686 -0.5450 -0.5450 4.7880 4.7880 k =-0.3036 0.2004 0.0000 ( 6348 PWs) bands (ev): -19.9025 -19.9025 -19.8522 -19.8522 -18.4370 -18.4370 -18.4012 -18.4012 -12.7128 -12.7128 -12.6596 -12.6596 -8.8969 -8.8969 -8.5828 -8.5828 -6.2322 -6.2322 -4.9168 -4.9168 -4.8379 -4.8379 -4.6798 -4.6798 -4.2607 -4.2607 -4.2141 -4.2141 -2.9836 -2.9836 -2.6758 -2.6758 -2.6141 -2.6141 -2.2323 -2.2323 -1.5920 -1.5920 -1.5294 -1.5294 -1.3278 -1.3278 -1.0682 -1.0682 -0.9656 -0.9656 -0.9599 -0.9599 -0.8218 -0.8218 -0.7316 -0.7316 -0.6631 -0.6631 -0.5371 -0.5371 4.7998 4.7998 k =-0.3214 0.2121 0.0000 ( 6352 PWs) bands (ev): -19.9014 -19.9014 -19.8530 -19.8530 -18.4388 -18.4388 -18.3999 -18.3999 -12.7119 -12.7119 -12.6600 -12.6600 -8.8960 -8.8960 -8.5842 -8.5842 -6.2274 -6.2274 -4.9298 -4.9298 -4.8361 -4.8361 -4.6778 -4.6778 -4.2534 -4.2534 -4.2129 -4.2129 -2.9851 -2.9851 -2.6798 -2.6798 -2.6305 -2.6305 -2.2395 -2.2395 -1.6073 -1.6073 -1.5068 -1.5068 -1.3338 -1.3338 -1.0623 -1.0623 -0.9687 -0.9687 -0.9490 -0.9490 -0.8202 -0.8202 -0.7235 -0.7235 -0.6579 -0.6579 -0.5295 -0.5295 4.8117 4.8117 k =-0.3393 0.2239 0.0000 ( 6346 PWs) bands (ev): -19.9004 -19.9004 -19.8538 -19.8538 -18.4404 -18.4404 -18.3986 -18.3986 -12.7110 -12.7110 -12.6603 -12.6603 -8.8952 -8.8952 -8.5855 -8.5855 -6.2229 -6.2229 -4.9417 -4.9417 -4.8344 -4.8344 -4.6759 -4.6759 -4.2469 -4.2469 -4.2118 -4.2118 -2.9864 -2.9864 -2.6836 -2.6836 -2.6458 -2.6458 -2.2463 -2.2463 -1.6219 -1.6219 -1.4848 -1.4848 -1.3393 -1.3393 -1.0571 -1.0571 -0.9732 -0.9732 -0.9377 -0.9377 -0.8186 -0.8186 -0.7157 -0.7157 -0.6531 -0.6531 -0.5224 -0.5224 4.8236 4.8236 k =-0.3571 0.2357 0.0000 ( 6350 PWs) bands (ev): -19.8995 -19.8995 -19.8545 -19.8545 -18.4420 -18.4420 -18.3974 -18.3974 -12.7101 -12.7101 -12.6605 -12.6605 -8.8944 -8.8944 -8.5867 -8.5867 -6.2187 -6.2187 -4.9526 -4.9526 -4.8328 -4.8328 -4.6741 -4.6741 -4.2411 -4.2411 -4.2107 -4.2107 -2.9875 -2.9875 -2.6871 -2.6871 -2.6599 -2.6599 -2.2526 -2.2526 -1.6357 -1.6357 -1.4636 -1.4636 -1.3444 -1.3444 -1.0526 -1.0526 -0.9781 -0.9781 -0.9271 -0.9271 -0.8173 -0.8173 -0.7083 -0.7083 -0.6487 -0.6487 -0.5158 -0.5158 4.8354 4.8354 k =-0.3750 0.2475 0.0000 ( 6336 PWs) bands (ev): -19.8987 -19.8987 -19.8551 -19.8551 -18.4434 -18.4434 -18.3964 -18.3964 -12.7094 -12.7094 -12.6608 -12.6608 -8.8937 -8.8937 -8.5879 -8.5879 -6.2148 -6.2148 -4.9622 -4.9622 -4.8314 -4.8314 -4.6725 -4.6725 -4.2360 -4.2360 -4.2096 -4.2096 -2.9884 -2.9884 -2.6904 -2.6904 -2.6726 -2.6726 -2.2584 -2.2584 -1.6485 -1.6485 -1.4435 -1.4435 -1.3489 -1.3489 -1.0487 -1.0487 -0.9832 -0.9832 -0.9173 -0.9173 -0.8160 -0.8160 -0.7013 -0.7013 -0.6448 -0.6448 -0.5097 -0.5097 4.8468 4.8468 k =-0.3929 0.2593 0.0000 ( 6338 PWs) bands (ev): -19.8979 -19.8979 -19.8557 -19.8557 -18.4447 -18.4447 -18.3954 -18.3954 -12.7087 -12.7087 -12.6610 -12.6610 -8.8931 -8.8931 -8.5889 -8.5889 -6.2113 -6.2113 -4.9706 -4.9706 -4.8302 -4.8302 -4.6710 -4.6710 -4.2317 -4.2317 -4.2086 -4.2086 -2.9892 -2.9892 -2.6934 -2.6934 -2.6837 -2.6837 -2.2635 -2.2635 -1.6600 -1.6600 -1.4249 -1.4249 -1.3529 -1.3529 -1.0455 -1.0455 -0.9884 -0.9884 -0.9085 -0.9085 -0.8149 -0.8149 -0.6950 -0.6950 -0.6413 -0.6413 -0.5044 -0.5044 4.8576 4.8576 k =-0.4107 0.2711 0.0000 ( 6350 PWs) bands (ev): -19.8973 -19.8973 -19.8562 -19.8562 -18.4458 -18.4458 -18.3946 -18.3946 -12.7081 -12.7081 -12.6612 -12.6612 -8.8925 -8.8925 -8.5898 -8.5898 -6.2082 -6.2082 -4.9778 -4.9778 -4.8291 -4.8291 -4.6697 -4.6697 -4.2281 -4.2281 -4.2077 -4.2077 -2.9898 -2.9898 -2.6968 -2.6968 -2.6926 -2.6926 -2.2680 -2.2680 -1.6700 -1.6700 -1.4082 -1.4082 -1.3563 -1.3563 -1.0428 -1.0428 -0.9935 -0.9935 -0.9008 -0.9008 -0.8140 -0.8140 -0.6895 -0.6895 -0.6384 -0.6384 -0.4998 -0.4998 4.8675 4.8675 k =-0.4286 0.2828 0.0000 ( 6354 PWs) bands (ev): -19.8967 -19.8967 -19.8567 -19.8567 -18.4468 -18.4468 -18.3939 -18.3939 -12.7076 -12.7076 -12.6614 -12.6614 -8.8921 -8.8921 -8.5905 -8.5905 -6.2057 -6.2057 -4.9837 -4.9837 -4.8282 -4.8282 -4.6687 -4.6687 -4.2252 -4.2252 -4.2069 -4.2069 -2.9903 -2.9903 -2.7028 -2.7028 -2.6967 -2.6967 -2.2717 -2.2717 -1.6784 -1.6784 -1.3938 -1.3938 -1.3591 -1.3591 -1.0406 -1.0406 -0.9983 -0.9983 -0.8944 -0.8944 -0.8133 -0.8133 -0.6849 -0.6849 -0.6359 -0.6359 -0.4960 -0.4960 4.8763 4.8763 k =-0.4464 0.2946 0.0000 ( 6350 PWs) bands (ev): -19.8963 -19.8963 -19.8570 -19.8570 -18.4475 -18.4475 -18.3934 -18.3934 -12.7072 -12.7072 -12.6615 -12.6615 -8.8917 -8.8917 -8.5911 -8.5911 -6.2036 -6.2036 -4.9883 -4.9883 -4.8275 -4.8275 -4.6678 -4.6678 -4.2229 -4.2229 -4.2063 -4.2063 -2.9906 -2.9906 -2.7088 -2.7088 -2.6987 -2.6987 -2.2746 -2.2746 -1.6851 -1.6851 -1.3820 -1.3820 -1.3613 -1.3613 -1.0389 -1.0389 -1.0024 -1.0024 -0.8893 -0.8893 -0.8127 -0.8127 -0.6811 -0.6811 -0.6340 -0.6340 -0.4929 -0.4929 4.8835 4.8835 k =-0.4643 0.3064 0.0000 ( 6350 PWs) bands (ev): -19.8960 -19.8960 -19.8572 -19.8572 -18.4480 -18.4480 -18.3930 -18.3930 -12.7069 -12.7069 -12.6616 -12.6616 -8.8914 -8.8914 -8.5915 -8.5915 -6.2022 -6.2022 -4.9916 -4.9916 -4.8270 -4.8270 -4.6672 -4.6672 -4.2213 -4.2213 -4.2059 -4.2059 -2.9909 -2.9909 -2.7133 -2.7133 -2.6999 -2.6999 -2.2767 -2.2767 -1.6900 -1.6900 -1.3733 -1.3733 -1.3629 -1.3629 -1.0377 -1.0377 -1.0056 -1.0056 -0.8857 -0.8857 -0.8122 -0.8122 -0.6784 -0.6784 -0.6327 -0.6327 -0.4908 -0.4908 4.8890 4.8890 k =-0.4821 0.3182 0.0000 ( 6352 PWs) bands (ev): -19.8958 -19.8958 -19.8574 -19.8574 -18.4483 -18.4483 -18.3927 -18.3927 -12.7067 -12.7067 -12.6617 -12.6617 -8.8913 -8.8913 -8.5917 -8.5917 -6.2013 -6.2013 -4.9936 -4.9936 -4.8267 -4.8267 -4.6669 -4.6669 -4.2204 -4.2204 -4.2056 -4.2056 -2.9910 -2.9910 -2.7161 -2.7161 -2.7007 -2.7007 -2.2780 -2.2780 -1.6930 -1.6930 -1.3679 -1.3679 -1.3639 -1.3639 -1.0370 -1.0370 -1.0076 -1.0076 -0.8834 -0.8834 -0.8120 -0.8120 -0.6768 -0.6768 -0.6318 -0.6318 -0.4894 -0.4894 4.8924 4.8924 k =-0.5000 0.3300 0.0000 ( 6352 PWs) bands (ev): -19.8957 -19.8957 -19.8574 -19.8574 -18.4485 -18.4485 -18.3927 -18.3927 -12.7067 -12.7067 -12.6617 -12.6617 -8.8912 -8.8912 -8.5918 -8.5918 -6.2010 -6.2010 -4.9943 -4.9943 -4.8266 -4.8266 -4.6667 -4.6667 -4.2200 -4.2200 -4.2055 -4.2055 -2.9910 -2.9910 -2.7170 -2.7170 -2.7009 -2.7009 -2.2784 -2.2784 -1.6939 -1.6939 -1.3660 -1.3660 -1.3642 -1.3642 -1.0368 -1.0368 -1.0083 -1.0083 -0.8827 -0.8827 -0.8119 -0.8119 -0.6762 -0.6762 -0.6316 -0.6316 -0.4890 -0.4890 4.8936 4.8936 k =-0.5000 0.3300 0.0000 ( 6352 PWs) bands (ev): -19.8957 -19.8957 -19.8574 -19.8574 -18.4485 -18.4485 -18.3927 -18.3927 -12.7067 -12.7067 -12.6617 -12.6617 -8.8912 -8.8912 -8.5918 -8.5918 -6.2010 -6.2010 -4.9943 -4.9943 -4.8266 -4.8266 -4.6667 -4.6667 -4.2200 -4.2200 -4.2055 -4.2055 -2.9910 -2.9910 -2.7170 -2.7170 -2.7009 -2.7009 -2.2784 -2.2784 -1.6939 -1.6939 -1.3660 -1.3660 -1.3642 -1.3642 -1.0368 -1.0368 -1.0083 -1.0083 -0.8827 -0.8827 -0.8119 -0.8119 -0.6762 -0.6762 -0.6316 -0.6316 -0.4890 -0.4890 4.8936 4.8936 k =-0.4882 0.3478-0.0000 ( 6356 PWs) bands (ev): -19.8956 -19.8956 -19.8575 -19.8575 -18.4484 -18.4484 -18.3927 -18.3927 -12.7066 -12.7066 -12.6618 -12.6618 -8.8909 -8.8909 -8.5925 -8.5925 -6.1991 -6.1991 -4.9940 -4.9940 -4.8293 -4.8293 -4.6663 -4.6663 -4.2200 -4.2200 -4.2058 -4.2058 -2.9904 -2.9904 -2.7164 -2.7164 -2.7012 -2.7012 -2.2786 -2.2786 -1.6940 -1.6940 -1.3660 -1.3660 -1.3641 -1.3641 -1.0398 -1.0398 -1.0051 -1.0051 -0.8827 -0.8827 -0.8119 -0.8119 -0.6766 -0.6766 -0.6321 -0.6321 -0.4894 -0.4894 4.8980 4.8980 k =-0.4765 0.3656-0.0000 ( 6348 PWs) bands (ev): -19.8954 -19.8954 -19.8577 -19.8577 -18.4483 -18.4483 -18.3928 -18.3928 -12.7064 -12.7064 -12.6620 -12.6620 -8.8900 -8.8900 -8.5944 -8.5944 -6.1933 -6.1933 -4.9931 -4.9931 -4.8371 -4.8371 -4.6652 -4.6652 -4.2201 -4.2201 -4.2068 -4.2068 -2.9885 -2.9885 -2.7147 -2.7147 -2.7022 -2.7022 -2.2789 -2.2789 -1.6943 -1.6943 -1.3661 -1.3661 -1.3635 -1.3635 -1.0465 -1.0465 -0.9977 -0.9977 -0.8827 -0.8827 -0.8119 -0.8119 -0.6777 -0.6777 -0.6337 -0.6337 -0.4904 -0.4904 4.9112 4.9112 k =-0.4647 0.3834-0.0000 ( 6350 PWs) bands (ev): -19.8950 -19.8950 -19.8581 -19.8581 -18.4481 -18.4481 -18.3929 -18.3929 -12.7060 -12.7060 -12.6625 -12.6625 -8.8884 -8.8884 -8.5976 -8.5976 -6.1838 -6.1838 -4.9917 -4.9917 -4.8498 -4.8498 -4.6635 -4.6635 -4.2201 -4.2201 -4.2085 -4.2085 -2.9855 -2.9855 -2.7120 -2.7120 -2.7038 -2.7038 -2.2794 -2.2794 -1.6947 -1.6947 -1.3662 -1.3662 -1.3627 -1.3627 -1.0544 -1.0544 -0.9887 -0.9887 -0.8827 -0.8827 -0.8119 -0.8119 -0.6794 -0.6794 -0.6365 -0.6365 -0.4922 -0.4922 4.9332 4.9332 k =-0.4530 0.4013-0.0000 ( 6358 PWs) bands (ev): -19.8945 -19.8945 -19.8587 -19.8587 -18.4478 -18.4478 -18.3931 -18.3931 -12.7056 -12.7056 -12.6630 -12.6630 -8.8862 -8.8862 -8.6020 -8.6020 -6.1705 -6.1705 -4.9897 -4.9897 -4.8671 -4.8671 -4.6616 -4.6616 -4.2201 -4.2201 -4.2108 -4.2108 -2.9812 -2.9812 -2.7090 -2.7090 -2.7050 -2.7050 -2.2801 -2.2801 -1.6953 -1.6953 -1.3663 -1.3663 -1.3615 -1.3615 -1.0628 -1.0628 -0.9788 -0.9788 -0.8828 -0.8828 -0.8119 -0.8119 -0.6819 -0.6819 -0.6402 -0.6402 -0.4947 -0.4947 4.9638 4.9638 k =-0.4412 0.4191-0.0000 ( 6364 PWs) bands (ev): -19.8939 -19.8939 -19.8594 -19.8594 -18.4474 -18.4474 -18.3934 -18.3934 -12.7050 -12.7050 -12.6638 -12.6638 -8.8834 -8.8834 -8.6075 -8.6075 -6.1536 -6.1536 -4.9872 -4.9872 -4.8885 -4.8885 -4.6597 -4.6597 -4.2201 -4.2201 -4.2138 -4.2138 -2.9758 -2.9758 -2.7102 -2.7102 -2.7016 -2.7016 -2.2810 -2.2810 -1.6961 -1.6961 -1.3664 -1.3664 -1.3600 -1.3600 -1.0713 -1.0713 -0.9685 -0.9685 -0.8828 -0.8828 -0.8119 -0.8119 -0.6850 -0.6850 -0.6450 -0.6450 -0.4978 -0.4978 5.0030 5.0030 k =-0.4294 0.4369-0.0000 ( 6346 PWs) bands (ev): -19.8931 -19.8931 -19.8603 -19.8603 -18.4470 -18.4470 -18.3937 -18.3937 -12.7042 -12.7042 -12.6647 -12.6647 -8.8800 -8.8800 -8.6141 -8.6141 -6.1332 -6.1332 -4.9843 -4.9843 -4.9136 -4.9136 -4.6578 -4.6578 -4.2201 -4.2201 -4.2173 -4.2173 -2.9694 -2.9694 -2.7136 -2.7136 -2.6955 -2.6955 -2.2821 -2.2821 -1.6971 -1.6971 -1.3666 -1.3666 -1.3581 -1.3581 -1.0796 -1.0796 -0.9578 -0.9578 -0.8829 -0.8829 -0.8119 -0.8119 -0.6888 -0.6888 -0.6508 -0.6508 -0.5016 -0.5016 5.0506 5.0506 k =-0.4177 0.4547-0.0000 ( 6342 PWs) bands (ev): -19.8922 -19.8922 -19.8613 -19.8613 -18.4465 -18.4465 -18.3941 -18.3941 -12.7034 -12.7034 -12.6658 -12.6658 -8.8759 -8.8759 -8.6217 -8.6217 -6.1094 -6.1094 -4.9811 -4.9811 -4.9421 -4.9421 -4.6562 -4.6562 -4.2216 -4.2216 -4.2201 -4.2201 -2.9620 -2.9620 -2.7179 -2.7179 -2.6881 -2.6881 -2.2835 -2.2835 -1.6982 -1.6982 -1.3668 -1.3668 -1.3559 -1.3559 -1.0878 -1.0878 -0.9469 -0.9469 -0.8830 -0.8830 -0.8120 -0.8120 -0.6933 -0.6933 -0.6575 -0.6575 -0.5061 -0.5061 5.1063 5.1063 k =-0.4059 0.4725-0.0000 ( 6344 PWs) bands (ev): -19.8911 -19.8911 -19.8624 -19.8624 -18.4459 -18.4459 -18.3945 -18.3945 -12.7024 -12.7024 -12.6670 -12.6670 -8.8713 -8.8713 -8.6302 -8.6302 -6.0824 -6.0824 -4.9820 -4.9820 -4.9692 -4.9692 -4.6548 -4.6548 -4.2263 -4.2263 -4.2202 -4.2202 -2.9536 -2.9536 -2.7227 -2.7227 -2.6795 -2.6795 -2.2850 -2.2850 -1.6995 -1.6995 -1.3671 -1.3671 -1.3533 -1.3533 -1.0959 -1.0959 -0.9357 -0.9357 -0.8830 -0.8830 -0.8122 -0.8122 -0.6983 -0.6983 -0.6650 -0.6650 -0.5111 -0.5111 5.1700 5.1700 k =-0.3942 0.4903-0.0000 ( 6340 PWs) bands (ev): -19.8900 -19.8900 -19.8637 -19.8637 -18.4453 -18.4453 -18.3950 -18.3950 -12.7013 -12.7013 -12.6683 -12.6683 -8.8660 -8.8660 -8.6395 -8.6395 -6.0523 -6.0523 -5.0117 -5.0117 -4.9702 -4.9702 -4.6537 -4.6537 -4.2316 -4.2316 -4.2202 -4.2202 -2.9445 -2.9445 -2.7281 -2.7281 -2.6698 -2.6698 -2.2867 -2.2867 -1.7010 -1.7010 -1.3674 -1.3674 -1.3504 -1.3504 -1.1039 -1.1039 -0.9244 -0.9244 -0.8830 -0.8830 -0.8125 -0.8125 -0.7039 -0.7039 -0.6733 -0.6733 -0.5168 -0.5168 5.2414 5.2414 k =-0.3824 0.5082-0.0000 ( 6340 PWs) bands (ev): -19.8887 -19.8887 -19.8651 -19.8651 -18.4445 -18.4445 -18.3955 -18.3955 -12.7001 -12.7001 -12.6698 -12.6698 -8.8602 -8.8602 -8.6495 -8.6495 -6.0193 -6.0193 -5.0492 -5.0492 -4.9655 -4.9655 -4.6529 -4.6529 -4.2374 -4.2374 -4.2203 -4.2203 -2.9346 -2.9346 -2.7340 -2.7340 -2.6590 -2.6590 -2.2887 -2.2887 -1.7026 -1.7026 -1.3677 -1.3677 -1.3472 -1.3472 -1.1116 -1.1116 -0.9129 -0.9129 -0.8831 -0.8831 -0.8130 -0.8130 -0.7100 -0.7100 -0.6823 -0.6823 -0.5230 -0.5230 5.3203 5.3203 k =-0.3707 0.5260-0.0000 ( 6336 PWs) bands (ev): -19.8873 -19.8873 -19.8666 -19.8666 -18.4438 -18.4438 -18.3961 -18.3961 -12.6988 -12.6988 -12.6715 -12.6715 -8.8538 -8.8538 -8.6601 -8.6601 -5.9837 -5.9837 -5.0897 -5.0897 -4.9601 -4.9601 -4.6523 -4.6523 -4.2437 -4.2437 -4.2203 -4.2203 -2.9240 -2.9240 -2.7405 -2.7405 -2.6473 -2.6473 -2.2908 -2.2908 -1.7044 -1.7044 -1.3681 -1.3681 -1.3437 -1.3437 -1.1192 -1.1192 -0.9014 -0.9014 -0.8830 -0.8830 -0.8137 -0.8137 -0.7166 -0.7166 -0.6920 -0.6920 -0.5297 -0.5297 5.4064 5.4064 k =-0.3589 0.5438-0.0000 ( 6336 PWs) bands (ev): -19.8858 -19.8858 -19.8682 -19.8682 -18.4429 -18.4429 -18.3967 -18.3967 -12.6974 -12.6974 -12.6732 -12.6732 -8.8468 -8.8468 -8.6712 -8.6712 -5.9455 -5.9455 -5.1326 -5.1326 -4.9542 -4.9542 -4.6519 -4.6519 -4.2504 -4.2504 -4.2204 -4.2204 -2.9128 -2.9128 -2.7473 -2.7473 -2.6345 -2.6345 -2.2930 -2.2930 -1.7064 -1.7064 -1.3685 -1.3685 -1.3398 -1.3398 -1.1265 -1.1265 -0.8900 -0.8900 -0.8827 -0.8827 -0.8148 -0.8148 -0.7234 -0.7234 -0.7021 -0.7021 -0.5370 -0.5370 5.4994 5.4994 k =-0.3589 0.5438-0.0000 ( 6336 PWs) bands (ev): -19.8858 -19.8858 -19.8682 -19.8682 -18.4429 -18.4429 -18.3967 -18.3967 -12.6974 -12.6974 -12.6732 -12.6732 -8.8468 -8.8468 -8.6712 -8.6712 -5.9455 -5.9455 -5.1326 -5.1326 -4.9542 -4.9542 -4.6519 -4.6519 -4.2504 -4.2504 -4.2204 -4.2204 -2.9128 -2.9128 -2.7473 -2.7473 -2.6345 -2.6345 -2.2930 -2.2930 -1.7064 -1.7064 -1.3685 -1.3685 -1.3398 -1.3398 -1.1265 -1.1265 -0.8900 -0.8900 -0.8827 -0.8827 -0.8148 -0.8148 -0.7234 -0.7234 -0.7021 -0.7021 -0.5370 -0.5370 5.4994 5.4994 k =-0.3589 0.5438 0.0216 ( 6330 PWs) bands (ev): -19.8857 -19.8857 -19.8682 -19.8682 -18.4429 -18.4429 -18.3967 -18.3967 -12.6973 -12.6973 -12.6731 -12.6731 -8.8473 -8.8473 -8.6718 -8.6718 -5.9450 -5.9450 -5.1329 -5.1329 -4.9544 -4.9544 -4.6524 -4.6524 -4.2507 -4.2507 -4.2206 -4.2206 -2.9113 -2.9113 -2.7454 -2.7454 -2.6342 -2.6342 -2.2930 -2.2930 -1.7073 -1.7073 -1.3689 -1.3689 -1.3422 -1.3422 -1.1266 -1.1266 -0.8895 -0.8895 -0.8825 -0.8825 -0.8150 -0.8150 -0.7234 -0.7234 -0.7022 -0.7022 -0.5380 -0.5380 5.4990 5.4990 k =-0.3589 0.5438 0.0432 ( 6333 PWs) bands (ev): -19.8855 -19.8855 -19.8679 -19.8679 -18.4427 -18.4427 -18.3966 -18.3966 -12.6972 -12.6972 -12.6729 -12.6729 -8.8491 -8.8491 -8.6738 -8.6738 -5.9433 -5.9433 -5.1340 -5.1340 -4.9549 -4.9549 -4.6540 -4.6540 -4.2517 -4.2517 -4.2213 -4.2213 -2.9067 -2.9067 -2.7397 -2.7397 -2.6333 -2.6333 -2.2928 -2.2928 -1.7098 -1.7098 -1.3702 -1.3702 -1.3493 -1.3493 -1.1268 -1.1268 -0.8881 -0.8881 -0.8818 -0.8818 -0.8154 -0.8154 -0.7236 -0.7236 -0.7024 -0.7024 -0.5411 -0.5411 5.4978 5.4978 k =-0.3589 0.5438 0.0647 ( 6328 PWs) bands (ev): -19.8850 -19.8850 -19.8675 -19.8675 -18.4425 -18.4425 -18.3965 -18.3965 -12.6969 -12.6969 -12.6726 -12.6726 -8.8519 -8.8519 -8.6771 -8.6771 -5.9406 -5.9406 -5.1359 -5.1359 -4.9556 -4.9556 -4.6566 -4.6566 -4.2533 -4.2533 -4.2224 -4.2224 -2.8990 -2.8990 -2.7304 -2.7304 -2.6318 -2.6318 -2.2925 -2.2925 -1.7140 -1.7140 -1.3724 -1.3724 -1.3607 -1.3607 -1.1275 -1.1275 -0.8864 -0.8864 -0.8802 -0.8802 -0.8160 -0.8160 -0.7239 -0.7239 -0.7027 -0.7027 -0.5462 -0.5462 5.4958 5.4958 k =-0.3589 0.5438 0.0863 ( 6332 PWs) bands (ev): -19.8844 -19.8844 -19.8668 -19.8668 -18.4422 -18.4422 -18.3963 -18.3963 -12.6966 -12.6966 -12.6721 -12.6721 -8.8559 -8.8559 -8.6818 -8.6818 -5.9368 -5.9368 -5.1386 -5.1386 -4.9564 -4.9564 -4.6603 -4.6603 -4.2556 -4.2556 -4.2240 -4.2240 -2.8884 -2.8884 -2.7176 -2.7176 -2.6297 -2.6297 -2.2920 -2.2920 -1.7198 -1.7198 -1.3775 -1.3775 -1.3737 -1.3737 -1.1291 -1.1291 -0.8853 -0.8853 -0.8769 -0.8769 -0.8170 -0.8170 -0.7243 -0.7243 -0.7032 -0.7032 -0.5533 -0.5533 5.4929 5.4929 k =-0.3589 0.5438 0.1079 ( 6330 PWs) bands (ev): -19.8836 -19.8836 -19.8661 -19.8661 -18.4418 -18.4418 -18.3961 -18.3961 -12.6962 -12.6962 -12.6715 -12.6715 -8.8609 -8.8609 -8.6877 -8.6877 -5.9320 -5.9320 -5.1421 -5.1421 -4.9570 -4.9570 -4.6649 -4.6649 -4.2585 -4.2585 -4.2260 -4.2260 -2.8748 -2.8748 -2.7014 -2.7014 -2.6271 -2.6271 -2.2915 -2.2915 -1.7271 -1.7271 -1.3950 -1.3950 -1.3783 -1.3783 -1.1319 -1.1319 -0.8847 -0.8847 -0.8719 -0.8719 -0.8183 -0.8183 -0.7248 -0.7248 -0.7039 -0.7039 -0.5623 -0.5623 5.4893 5.4893 k =-0.3589 0.5438 0.1295 ( 6346 PWs) bands (ev): -19.8826 -19.8826 -19.8651 -19.8651 -18.4413 -18.4413 -18.3958 -18.3958 -12.6957 -12.6957 -12.6708 -12.6708 -8.8670 -8.8670 -8.6948 -8.6948 -5.9261 -5.9261 -5.1465 -5.1465 -4.9573 -4.9573 -4.6706 -4.6706 -4.2619 -4.2619 -4.2285 -4.2285 -2.8585 -2.8585 -2.6822 -2.6822 -2.6239 -2.6239 -2.2909 -2.2909 -1.7359 -1.7359 -1.4163 -1.4163 -1.3827 -1.3827 -1.1362 -1.1362 -0.8844 -0.8844 -0.8658 -0.8658 -0.8200 -0.8200 -0.7252 -0.7252 -0.7047 -0.7047 -0.5730 -0.5730 5.4848 5.4848 k =-0.3589 0.5438 0.1511 ( 6341 PWs) bands (ev): -19.8814 -19.8814 -19.8640 -19.8640 -18.4407 -18.4407 -18.3955 -18.3955 -12.6951 -12.6951 -12.6699 -12.6699 -8.8741 -8.8741 -8.7032 -8.7032 -5.9192 -5.9192 -5.1519 -5.1519 -4.9570 -4.9570 -4.6771 -4.6771 -4.2660 -4.2660 -4.2314 -4.2314 -2.8396 -2.8396 -2.6602 -2.6602 -2.6202 -2.6202 -2.2902 -2.2902 -1.7460 -1.7460 -1.4399 -1.4399 -1.3877 -1.3877 -1.1421 -1.1421 -0.8842 -0.8842 -0.8590 -0.8590 -0.8221 -0.8221 -0.7257 -0.7257 -0.7057 -0.7057 -0.5853 -0.5853 5.4795 5.4795 k =-0.3589 0.5438 0.1726 ( 6349 PWs) bands (ev): -19.8802 -19.8802 -19.8628 -19.8628 -18.4400 -18.4400 -18.3951 -18.3951 -12.6945 -12.6945 -12.6690 -12.6690 -8.8822 -8.8822 -8.7128 -8.7128 -5.9112 -5.9112 -5.1580 -5.1580 -4.9560 -4.9560 -4.6845 -4.6845 -4.2705 -4.2705 -4.2348 -4.2348 -2.8182 -2.8182 -2.6357 -2.6357 -2.6159 -2.6159 -2.2895 -2.2895 -1.7572 -1.7572 -1.4656 -1.4656 -1.3933 -1.3933 -1.1498 -1.1498 -0.8842 -0.8842 -0.8517 -0.8517 -0.8244 -0.8244 -0.7262 -0.7262 -0.7069 -0.7069 -0.5991 -0.5991 5.4733 5.4733 k =-0.3589 0.5438 0.1942 ( 6347 PWs) bands (ev): -19.8787 -19.8787 -19.8614 -19.8614 -18.4393 -18.4393 -18.3947 -18.3947 -12.6937 -12.6937 -12.6679 -12.6679 -8.8911 -8.8911 -8.7235 -8.7235 -5.9022 -5.9022 -5.1650 -5.1650 -4.9543 -4.9543 -4.6927 -4.6927 -4.2756 -4.2756 -4.2385 -4.2385 -2.7946 -2.7946 -2.6117 -2.6117 -2.6084 -2.6084 -2.2887 -2.2887 -1.7696 -1.7696 -1.4928 -1.4928 -1.3994 -1.3994 -1.1593 -1.1593 -0.8842 -0.8842 -0.8444 -0.8444 -0.8270 -0.8270 -0.7267 -0.7267 -0.7083 -0.7083 -0.6142 -0.6142 5.4662 5.4662 k =-0.3589 0.5438 0.2158 ( 6347 PWs) bands (ev): -19.8771 -19.8771 -19.8598 -19.8598 -18.4385 -18.4385 -18.3943 -18.3943 -12.6929 -12.6929 -12.6667 -12.6667 -8.9008 -8.9008 -8.7352 -8.7352 -5.8923 -5.8923 -5.1726 -5.1726 -4.9517 -4.9517 -4.7016 -4.7016 -4.2811 -4.2811 -4.2427 -4.2427 -2.7691 -2.7691 -2.6060 -2.6060 -2.5802 -2.5802 -2.2879 -2.2879 -1.7828 -1.7828 -1.5214 -1.5214 -1.4061 -1.4061 -1.1706 -1.1706 -0.8843 -0.8843 -0.8384 -0.8384 -0.8286 -0.8286 -0.7272 -0.7272 -0.7099 -0.7099 -0.6302 -0.6302 5.4581 5.4581 k =-0.3589 0.5438 0.2374 ( 6343 PWs) bands (ev): -19.8754 -19.8754 -19.8582 -19.8582 -18.4376 -18.4376 -18.3938 -18.3938 -12.6920 -12.6920 -12.6655 -12.6655 -8.9113 -8.9113 -8.7480 -8.7480 -5.8813 -5.8813 -5.1808 -5.1808 -4.9483 -4.9483 -4.7109 -4.7109 -4.2870 -4.2870 -4.2472 -4.2472 -2.7418 -2.7418 -2.6003 -2.6003 -2.5499 -2.5499 -2.2872 -2.2872 -1.7967 -1.7967 -1.5512 -1.5512 -1.4132 -1.4132 -1.1836 -1.1836 -0.8844 -0.8844 -0.8378 -0.8378 -0.8255 -0.8255 -0.7276 -0.7276 -0.7117 -0.7117 -0.6470 -0.6470 5.4490 5.4490 k =-0.3589 0.5438 0.2590 ( 6345 PWs) bands (ev): -19.8736 -19.8736 -19.8564 -19.8564 -18.4367 -18.4367 -18.3933 -18.3933 -12.6911 -12.6911 -12.6641 -12.6641 -8.9224 -8.9224 -8.7617 -8.7617 -5.8695 -5.8695 -5.1893 -5.1893 -4.9442 -4.9442 -4.7208 -4.7208 -4.2933 -4.2933 -4.2521 -4.2521 -2.7130 -2.7130 -2.5942 -2.5942 -2.5183 -2.5183 -2.2866 -2.2866 -1.8113 -1.8113 -1.5818 -1.5818 -1.4207 -1.4207 -1.1984 -1.1984 -0.8846 -0.8846 -0.8412 -0.8412 -0.8194 -0.8194 -0.7281 -0.7281 -0.7136 -0.7136 -0.6641 -0.6641 5.4388 5.4388 k =-0.3589 0.5438 0.2806 ( 6349 PWs) bands (ev): -19.8716 -19.8716 -19.8545 -19.8545 -18.4357 -18.4357 -18.3928 -18.3928 -12.6901 -12.6901 -12.6626 -12.6626 -8.9342 -8.9342 -8.7762 -8.7762 -5.8567 -5.8567 -5.1980 -5.1980 -4.9393 -4.9393 -4.7309 -4.7309 -4.2999 -4.2999 -4.2573 -4.2573 -2.6831 -2.6831 -2.5878 -2.5878 -2.4857 -2.4857 -2.2861 -2.2861 -1.8262 -1.8262 -1.6130 -1.6130 -1.4285 -1.4285 -1.2148 -1.2148 -0.8848 -0.8848 -0.8457 -0.8457 -0.8133 -0.8133 -0.7286 -0.7286 -0.7157 -0.7157 -0.6812 -0.6812 5.4274 5.4274 k =-0.3589 0.5438 0.3021 ( 6345 PWs) bands (ev): -19.8696 -19.8696 -19.8526 -19.8526 -18.4346 -18.4346 -18.3922 -18.3922 -12.6891 -12.6891 -12.6611 -12.6611 -8.9464 -8.9464 -8.7916 -8.7916 -5.8431 -5.8431 -5.2068 -5.2068 -4.9340 -4.9340 -4.7411 -4.7411 -4.3068 -4.3068 -4.2629 -4.2629 -2.6524 -2.6524 -2.5810 -2.5810 -2.4524 -2.4524 -2.2857 -2.2857 -1.8414 -1.8414 -1.6448 -1.6448 -1.4365 -1.4365 -1.2327 -1.2327 -0.8850 -0.8850 -0.8508 -0.8508 -0.8084 -0.8084 -0.7293 -0.7293 -0.7179 -0.7179 -0.6973 -0.6973 5.4146 5.4146 k =-0.3589 0.5438 0.3237 ( 6349 PWs) bands (ev): -19.8674 -19.8674 -19.8505 -19.8505 -18.4335 -18.4335 -18.3916 -18.3916 -12.6880 -12.6880 -12.6596 -12.6596 -8.9591 -8.9591 -8.8076 -8.8076 -5.8287 -5.8287 -5.2154 -5.2154 -4.9282 -4.9282 -4.7513 -4.7513 -4.3140 -4.3140 -4.2687 -4.2687 -2.6210 -2.6210 -2.5739 -2.5739 -2.4186 -2.4186 -2.2855 -2.2855 -1.8566 -1.8566 -1.6768 -1.6768 -1.4448 -1.4448 -1.2523 -1.2523 -0.8852 -0.8852 -0.8564 -0.8564 -0.8058 -0.8058 -0.7302 -0.7302 -0.7203 -0.7203 -0.7114 -0.7114 5.4002 5.4002 k =-0.3589 0.5438 0.3453 ( 6353 PWs) bands (ev): -19.8652 -19.8652 -19.8484 -19.8484 -18.4324 -18.4324 -18.3910 -18.3910 -12.6869 -12.6869 -12.6579 -12.6579 -8.9720 -8.9720 -8.8242 -8.8242 -5.8135 -5.8135 -5.2238 -5.2238 -4.9222 -4.9222 -4.7612 -4.7612 -4.3214 -4.3214 -4.2747 -4.2747 -2.5894 -2.5894 -2.5665 -2.5665 -2.3846 -2.3846 -2.2856 -2.2856 -1.8718 -1.8718 -1.7088 -1.7088 -1.4531 -1.4531 -1.2732 -1.2732 -0.8854 -0.8854 -0.8623 -0.8623 -0.8068 -0.8068 -0.7315 -0.7315 -0.7246 -0.7246 -0.7201 -0.7201 5.3841 5.3841 k =-0.3589 0.5438 0.3669 ( 6355 PWs) bands (ev): -19.8630 -19.8630 -19.8462 -19.8462 -18.4312 -18.4312 -18.3904 -18.3904 -12.6857 -12.6857 -12.6563 -12.6563 -8.9853 -8.9853 -8.8414 -8.8414 -5.7975 -5.7975 -5.2318 -5.2318 -4.9163 -4.9163 -4.7707 -4.7707 -4.3289 -4.3289 -4.2809 -4.2809 -2.5610 -2.5610 -2.5556 -2.5556 -2.3509 -2.3509 -2.2859 -2.2859 -1.8866 -1.8866 -1.7408 -1.7408 -1.4616 -1.4616 -1.2955 -1.2955 -0.8856 -0.8856 -0.8684 -0.8684 -0.8125 -0.8125 -0.7332 -0.7332 -0.7302 -0.7302 -0.7226 -0.7226 5.3659 5.3659 k =-0.3589 0.5438 0.3885 ( 6351 PWs) bands (ev): -19.8606 -19.8606 -19.8440 -19.8440 -18.4300 -18.4300 -18.3898 -18.3898 -12.6845 -12.6845 -12.6546 -12.6546 -8.9986 -8.9986 -8.8589 -8.8589 -5.7809 -5.7809 -5.2394 -5.2394 -4.9107 -4.9107 -4.7794 -4.7794 -4.3366 -4.3366 -4.2873 -4.2873 -2.5520 -2.5520 -2.5253 -2.5253 -2.3177 -2.3177 -2.2866 -2.2866 -1.9011 -1.9011 -1.7724 -1.7724 -1.4700 -1.4700 -1.3189 -1.3189 -0.8860 -0.8860 -0.8745 -0.8745 -0.8229 -0.8229 -0.7354 -0.7354 -0.7320 -0.7320 -0.7240 -0.7240 5.3456 5.3456 k =-0.3589 0.5438 0.4100 ( 6355 PWs) bands (ev): -19.8583 -19.8583 -19.8417 -19.8417 -18.4288 -18.4288 -18.3892 -18.3892 -12.6834 -12.6834 -12.6528 -12.6528 -9.0120 -9.0120 -8.8768 -8.8768 -5.7638 -5.7638 -5.2466 -5.2466 -4.9059 -4.9059 -4.7870 -4.7870 -4.3443 -4.3443 -4.2938 -4.2938 -2.5442 -2.5442 -2.4941 -2.4941 -2.2882 -2.2882 -2.2846 -2.2846 -1.9149 -1.9149 -1.8034 -1.8034 -1.4784 -1.4784 -1.3435 -1.3435 -0.8874 -0.8874 -0.8797 -0.8797 -0.8365 -0.8365 -0.7381 -0.7381 -0.7306 -0.7306 -0.7247 -0.7247 5.3230 5.3230 k =-0.3589 0.5438 0.4316 ( 6352 PWs) bands (ev): -19.8559 -19.8559 -19.8394 -19.8394 -18.4276 -18.4276 -18.3886 -18.3886 -12.6822 -12.6822 -12.6511 -12.6511 -9.0254 -9.0254 -8.8948 -8.8948 -5.7461 -5.7461 -5.2532 -5.2532 -4.9022 -4.9022 -4.7930 -4.7930 -4.3521 -4.3521 -4.3004 -4.3004 -2.5366 -2.5366 -2.4634 -2.4634 -2.2890 -2.2890 -2.2538 -2.2538 -1.9281 -1.9281 -1.8336 -1.8336 -1.4867 -1.4867 -1.3689 -1.3689 -0.8917 -0.8917 -0.8823 -0.8823 -0.8517 -0.8517 -0.7412 -0.7412 -0.7283 -0.7283 -0.7239 -0.7239 5.2983 5.2983 k =-0.3589 0.5438 0.4532 ( 6351 PWs) bands (ev): -19.8536 -19.8536 -19.8371 -19.8371 -18.4263 -18.4263 -18.3880 -18.3880 -12.6810 -12.6810 -12.6494 -12.6494 -9.0386 -9.0386 -8.9130 -8.9130 -5.7279 -5.7279 -5.2592 -5.2592 -4.9001 -4.9001 -4.7971 -4.7971 -4.3598 -4.3598 -4.3070 -4.3070 -2.5291 -2.5291 -2.4335 -2.4335 -2.2907 -2.2907 -2.2240 -2.2240 -1.9405 -1.9405 -1.8625 -1.8625 -1.4949 -1.4949 -1.3950 -1.3950 -0.8981 -0.8981 -0.8837 -0.8837 -0.8665 -0.8665 -0.7446 -0.7446 -0.7279 -0.7279 -0.7201 -0.7201 5.2718 5.2718 k =-0.3589 0.5438 0.4748 ( 6350 PWs) bands (ev): -19.8512 -19.8512 -19.8349 -19.8349 -18.4251 -18.4251 -18.3874 -18.3874 -12.6798 -12.6798 -12.6477 -12.6477 -9.0516 -9.0516 -8.9311 -8.9311 -5.7095 -5.7095 -5.2647 -5.2647 -4.9000 -4.9000 -4.7988 -4.7988 -4.3674 -4.3674 -4.3137 -4.3137 -2.5218 -2.5218 -2.4046 -2.4046 -2.2927 -2.2927 -2.1963 -2.1963 -1.9519 -1.9519 -1.8897 -1.8897 -1.5029 -1.5029 -1.4216 -1.4216 -0.9054 -0.9054 -0.8903 -0.8903 -0.8755 -0.8755 -0.7481 -0.7481 -0.7283 -0.7283 -0.7147 -0.7147 5.2438 5.2438 k =-0.3589 0.5438 0.4964 ( 6343 PWs) bands (ev): -19.8489 -19.8489 -19.8326 -19.8326 -18.4239 -18.4239 -18.3868 -18.3868 -12.6786 -12.6786 -12.6460 -12.6460 -9.0643 -9.0643 -8.9491 -8.9491 -5.6907 -5.6907 -5.2696 -5.2696 -4.9020 -4.9020 -4.7983 -4.7983 -4.3750 -4.3750 -4.3202 -4.3202 -2.5147 -2.5147 -2.3769 -2.3769 -2.2951 -2.2951 -2.1711 -2.1711 -1.9624 -1.9624 -1.9146 -1.9146 -1.5106 -1.5106 -1.4485 -1.4485 -0.9135 -0.9135 -0.9035 -0.9035 -0.8765 -0.8765 -0.7517 -0.7517 -0.7289 -0.7289 -0.7089 -0.7089 5.2150 5.2150 k =-0.3589 0.5438 0.5179 ( 6349 PWs) bands (ev): -19.8466 -19.8466 -19.8304 -19.8304 -18.4227 -18.4227 -18.3862 -18.3862 -12.6775 -12.6775 -12.6443 -12.6443 -9.0765 -9.0765 -8.9670 -8.9670 -5.6718 -5.6718 -5.2740 -5.2740 -4.9058 -4.9058 -4.7957 -4.7957 -4.3823 -4.3823 -4.3267 -4.3267 -2.5081 -2.5081 -2.3507 -2.3507 -2.2976 -2.2976 -2.1495 -2.1495 -1.9719 -1.9719 -1.9362 -1.9362 -1.5182 -1.5182 -1.4753 -1.4753 -0.9243 -0.9243 -0.9155 -0.9155 -0.8753 -0.8753 -0.7553 -0.7553 -0.7296 -0.7296 -0.7028 -0.7028 5.1859 5.1859 k =-0.3589 0.5438 0.5395 ( 6350 PWs) bands (ev): -19.8444 -19.8444 -19.8283 -19.8283 -18.4215 -18.4215 -18.3857 -18.3857 -12.6763 -12.6763 -12.6427 -12.6427 -9.0883 -9.0883 -8.9845 -8.9845 -5.6529 -5.6529 -5.2778 -5.2778 -4.9111 -4.9111 -4.7915 -4.7915 -4.3895 -4.3895 -4.3331 -4.3331 -2.5019 -2.5019 -2.3263 -2.3263 -2.3002 -2.3002 -2.1323 -2.1323 -1.9805 -1.9805 -1.9534 -1.9534 -1.5257 -1.5257 -1.5017 -1.5017 -0.9383 -0.9383 -0.9241 -0.9241 -0.8734 -0.8734 -0.7590 -0.7590 -0.7302 -0.7302 -0.6966 -0.6966 5.1569 5.1569 k =-0.3589 0.5438 0.5611 ( 6352 PWs) bands (ev): -19.8422 -19.8422 -19.8262 -19.8262 -18.4204 -18.4204 -18.3851 -18.3851 -12.6753 -12.6753 -12.6411 -12.6411 -9.0996 -9.0996 -9.0015 -9.0015 -5.6340 -5.6340 -5.2811 -5.2811 -4.9174 -4.9174 -4.7863 -4.7863 -4.3964 -4.3964 -4.3393 -4.3393 -2.4962 -2.4962 -2.3045 -2.3045 -2.3024 -2.3024 -2.1209 -2.1209 -1.9880 -1.9880 -1.9647 -1.9647 -1.5349 -1.5349 -1.5256 -1.5256 -0.9529 -0.9529 -0.9315 -0.9315 -0.8710 -0.8710 -0.7626 -0.7626 -0.7309 -0.7309 -0.6905 -0.6905 5.1286 5.1286 k =-0.3589 0.5438 0.5827 ( 6346 PWs) bands (ev): -19.8401 -19.8401 -19.8242 -19.8242 -18.4192 -18.4192 -18.3846 -18.3846 -12.6742 -12.6742 -12.6396 -12.6396 -9.1102 -9.1102 -9.0181 -9.0181 -5.6154 -5.6154 -5.2839 -5.2839 -4.9242 -4.9242 -4.7803 -4.7803 -4.4031 -4.4031 -4.3452 -4.3452 -2.4912 -2.4912 -2.3056 -2.3056 -2.2841 -2.2841 -2.1157 -2.1157 -1.9943 -1.9943 -1.9694 -1.9694 -1.5556 -1.5556 -1.5369 -1.5369 -0.9671 -0.9671 -0.9385 -0.9385 -0.8683 -0.8683 -0.7661 -0.7661 -0.7316 -0.7316 -0.6845 -0.6845 5.1014 5.1014 k =-0.3589 0.5438 0.6043 ( 6348 PWs) bands (ev): -19.8382 -19.8382 -19.8223 -19.8223 -18.4182 -18.4182 -18.3842 -18.3842 -12.6732 -12.6732 -12.6381 -12.6381 -9.1201 -9.1201 -9.0341 -9.0341 -5.5971 -5.5971 -5.2863 -5.2863 -4.9314 -4.9314 -4.7741 -4.7741 -4.4094 -4.4094 -4.3509 -4.3509 -2.4869 -2.4869 -2.3079 -2.3079 -2.2677 -2.2677 -2.1153 -2.1153 -1.9997 -1.9997 -1.9682 -1.9682 -1.5797 -1.5797 -1.5435 -1.5435 -0.9807 -0.9807 -0.9451 -0.9451 -0.8653 -0.8653 -0.7696 -0.7696 -0.7323 -0.7323 -0.6786 -0.6786 5.0754 5.0754 k =-0.3589 0.5438 0.6259 ( 6344 PWs) bands (ev): -19.8363 -19.8363 -19.8205 -19.8205 -18.4172 -18.4172 -18.3837 -18.3837 -12.6723 -12.6723 -12.6368 -12.6368 -9.1292 -9.1292 -9.0493 -9.0493 -5.5793 -5.5793 -5.2882 -5.2882 -4.9387 -4.9387 -4.7677 -4.7677 -4.4153 -4.4153 -4.3563 -4.3563 -2.4833 -2.4833 -2.3099 -2.3099 -2.2555 -2.2555 -2.1170 -2.1170 -2.0042 -2.0042 -1.9628 -1.9628 -1.6029 -1.6029 -1.5493 -1.5493 -0.9935 -0.9935 -0.9514 -0.9514 -0.8620 -0.8620 -0.7729 -0.7729 -0.7329 -0.7329 -0.6729 -0.6729 5.0510 5.0510 k =-0.3589 0.5438 0.6474 ( 6344 PWs) bands (ev): -19.8345 -19.8345 -19.8188 -19.8188 -18.4162 -18.4162 -18.3833 -18.3833 -12.6714 -12.6714 -12.6355 -12.6355 -9.1375 -9.1375 -9.0638 -9.0638 -5.5622 -5.5622 -5.2899 -5.2899 -4.9459 -4.9459 -4.7616 -4.7616 -4.4209 -4.4209 -4.3613 -4.3613 -2.4805 -2.4805 -2.3116 -2.3116 -2.2483 -2.2483 -2.1176 -2.1176 -2.0080 -2.0080 -1.9555 -1.9555 -1.6247 -1.6247 -1.5545 -1.5545 -1.0054 -1.0054 -0.9573 -0.9573 -0.8586 -0.8586 -0.7761 -0.7761 -0.7336 -0.7336 -0.6675 -0.6675 5.0283 5.0283 k =-0.3589 0.5438 0.6690 ( 6342 PWs) bands (ev): -19.8329 -19.8329 -19.8172 -19.8172 -18.4154 -18.4154 -18.3829 -18.3829 -12.6706 -12.6706 -12.6343 -12.6343 -9.1448 -9.1448 -9.0774 -9.0774 -5.5459 -5.5459 -5.2912 -5.2912 -4.9528 -4.9528 -4.7557 -4.7557 -4.4260 -4.4260 -4.3660 -4.3660 -2.4784 -2.4784 -2.3128 -2.3128 -2.2463 -2.2463 -2.1153 -2.1153 -2.0111 -2.0111 -1.9479 -1.9479 -1.6447 -1.6447 -1.5593 -1.5593 -1.0164 -1.0164 -0.9628 -0.9628 -0.8552 -0.8552 -0.7790 -0.7790 -0.7342 -0.7342 -0.6624 -0.6624 5.0074 5.0074 k =-0.3589 0.5438 0.6906 ( 6350 PWs) bands (ev): -19.8314 -19.8314 -19.8158 -19.8158 -18.4146 -18.4146 -18.3826 -18.3826 -12.6699 -12.6699 -12.6333 -12.6333 -9.1513 -9.1513 -9.0901 -9.0901 -5.5306 -5.5306 -5.2922 -5.2922 -4.9594 -4.9594 -4.7502 -4.7502 -4.4306 -4.4306 -4.3703 -4.3703 -2.4770 -2.4770 -2.3136 -2.3136 -2.2487 -2.2487 -2.1100 -2.1100 -2.0137 -2.0137 -1.9410 -1.9410 -1.6627 -1.6627 -1.5636 -1.5636 -1.0264 -1.0264 -0.9679 -0.9679 -0.8518 -0.8518 -0.7818 -0.7818 -0.7348 -0.7348 -0.6576 -0.6576 4.9886 4.9886 k =-0.3589 0.5438 0.7122 ( 6356 PWs) bands (ev): -19.8301 -19.8301 -19.8145 -19.8145 -18.4138 -18.4138 -18.3823 -18.3823 -12.6692 -12.6692 -12.6323 -12.6323 -9.1568 -9.1568 -9.1018 -9.1018 -5.5165 -5.5165 -5.2931 -5.2931 -4.9656 -4.9656 -4.7451 -4.7451 -4.4348 -4.4348 -4.3741 -4.3741 -2.4762 -2.4762 -2.3140 -2.3140 -2.2539 -2.2539 -2.1027 -2.1027 -2.0158 -2.0158 -1.9353 -1.9353 -1.6786 -1.6786 -1.5674 -1.5674 -1.0354 -1.0354 -0.9725 -0.9725 -0.8485 -0.8485 -0.7843 -0.7843 -0.7353 -0.7353 -0.6533 -0.6533 4.9718 4.9718 k =-0.3589 0.5438 0.7338 ( 6362 PWs) bands (ev): -19.8289 -19.8289 -19.8134 -19.8134 -18.4132 -18.4132 -18.3820 -18.3820 -12.6686 -12.6686 -12.6315 -12.6315 -9.1614 -9.1614 -9.1123 -9.1123 -5.5038 -5.5038 -5.2937 -5.2937 -4.9712 -4.9712 -4.7407 -4.7407 -4.4385 -4.4385 -4.3775 -4.3775 -2.4758 -2.4758 -2.3140 -2.3140 -2.2605 -2.2605 -2.0944 -2.0944 -2.0175 -2.0175 -1.9310 -1.9310 -1.6922 -1.6922 -1.5707 -1.5707 -1.0433 -1.0433 -0.9766 -0.9766 -0.8454 -0.8454 -0.7865 -0.7865 -0.7358 -0.7358 -0.6495 -0.6495 4.9571 4.9571 k =-0.3589 0.5438 0.7553 ( 6362 PWs) bands (ev): -19.8279 -19.8279 -19.8124 -19.8124 -18.4126 -18.4126 -18.3818 -18.3818 -12.6681 -12.6681 -12.6307 -12.6307 -9.1649 -9.1649 -9.1217 -9.1217 -5.4927 -5.4927 -5.2942 -5.2942 -4.9762 -4.9762 -4.7368 -4.7368 -4.4416 -4.4416 -4.3804 -4.3804 -2.4758 -2.4758 -2.3139 -2.3139 -2.2673 -2.2673 -2.0861 -2.0861 -2.0188 -2.0188 -1.9282 -1.9282 -1.7034 -1.7034 -1.5735 -1.5735 -1.0500 -1.0500 -0.9801 -0.9801 -0.8426 -0.8426 -0.7884 -0.7884 -0.7362 -0.7362 -0.6461 -0.6461 4.9446 4.9446 k =-0.3589 0.5438 0.7769 ( 6362 PWs) bands (ev): -19.8271 -19.8271 -19.8116 -19.8116 -18.4122 -18.4122 -18.3816 -18.3816 -12.6677 -12.6677 -12.6301 -12.6301 -9.1675 -9.1675 -9.1297 -9.1297 -5.4833 -5.4833 -5.2945 -5.2945 -4.9804 -4.9804 -4.7336 -4.7336 -4.4442 -4.4442 -4.3829 -4.3829 -2.4760 -2.4760 -2.3136 -2.3136 -2.2735 -2.2735 -2.0785 -2.0785 -2.0198 -2.0198 -1.9266 -1.9266 -1.7123 -1.7123 -1.5758 -1.5758 -1.0556 -1.0556 -0.9831 -0.9831 -0.8402 -0.8402 -0.7900 -0.7900 -0.7366 -0.7366 -0.6433 -0.6433 4.9343 4.9343 k =-0.3589 0.5438 0.7985 ( 6368 PWs) bands (ev): -19.8265 -19.8265 -19.8110 -19.8110 -18.4118 -18.4118 -18.3814 -18.3814 -12.6674 -12.6674 -12.6297 -12.6297 -9.1693 -9.1693 -9.1364 -9.1364 -5.4758 -5.4758 -5.2947 -5.2947 -4.9838 -4.9838 -4.7311 -4.7311 -4.4463 -4.4463 -4.3847 -4.3847 -2.4762 -2.4762 -2.3133 -2.3133 -2.2788 -2.2788 -2.0721 -2.0721 -2.0205 -2.0205 -1.9259 -1.9259 -1.7189 -1.7189 -1.5776 -1.5776 -1.0599 -1.0599 -0.9854 -0.9854 -0.8383 -0.8383 -0.7912 -0.7912 -0.7369 -0.7369 -0.6411 -0.6411 4.9263 4.9263 k =-0.3589 0.5438 0.8201 ( 6366 PWs) bands (ev): -19.8260 -19.8260 -19.8105 -19.8105 -18.4116 -18.4116 -18.3813 -18.3813 -12.6671 -12.6671 -12.6293 -12.6293 -9.1702 -9.1702 -9.1414 -9.1414 -5.4703 -5.4703 -5.2949 -5.2949 -4.9863 -4.9863 -4.7293 -4.7293 -4.4477 -4.4477 -4.3861 -4.3861 -2.4765 -2.4765 -2.3130 -2.3130 -2.2827 -2.2827 -2.0673 -2.0673 -2.0210 -2.0210 -1.9258 -1.9258 -1.7236 -1.7236 -1.5789 -1.5789 -1.0631 -1.0631 -0.9870 -0.9870 -0.8369 -0.8369 -0.7921 -0.7921 -0.7371 -0.7371 -0.6395 -0.6395 4.9206 4.9206 k =-0.3589 0.5438 0.8417 ( 6362 PWs) bands (ev): -19.8257 -19.8257 -19.8102 -19.8102 -18.4114 -18.4114 -18.3813 -18.3813 -12.6670 -12.6670 -12.6291 -12.6291 -9.1707 -9.1707 -9.1445 -9.1445 -5.4670 -5.4670 -5.2950 -5.2950 -4.9878 -4.9878 -4.7282 -4.7282 -4.4486 -4.4486 -4.3869 -4.3869 -2.4767 -2.4767 -2.3128 -2.3128 -2.2851 -2.2851 -2.0642 -2.0642 -2.0213 -2.0213 -1.9259 -1.9259 -1.7262 -1.7262 -1.5797 -1.5797 -1.0649 -1.0649 -0.9880 -0.9880 -0.8360 -0.8360 -0.7927 -0.7927 -0.7372 -0.7372 -0.6385 -0.6385 4.9171 4.9171 k =-0.3589 0.5438 0.8632 ( 6368 PWs) bands (ev): -19.8256 -19.8256 -19.8102 -19.8102 -18.4114 -18.4114 -18.3813 -18.3813 -12.6669 -12.6669 -12.6291 -12.6291 -9.1708 -9.1708 -9.1456 -9.1456 -5.4658 -5.4658 -5.2950 -5.2950 -4.9883 -4.9883 -4.7279 -4.7279 -4.4489 -4.4489 -4.3872 -4.3872 -2.4768 -2.4768 -2.3127 -2.3127 -2.2860 -2.2860 -2.0632 -2.0632 -2.0214 -2.0214 -1.9260 -1.9260 -1.7271 -1.7271 -1.5799 -1.5799 -1.0656 -1.0656 -0.9884 -0.9884 -0.8357 -0.8357 -0.7929 -0.7929 -0.7372 -0.7372 -0.6382 -0.6382 4.9160 4.9160 k =-0.3589 0.5438 0.8632 ( 6368 PWs) bands (ev): -19.8256 -19.8256 -19.8102 -19.8102 -18.4114 -18.4114 -18.3813 -18.3813 -12.6669 -12.6669 -12.6291 -12.6291 -9.1708 -9.1708 -9.1456 -9.1456 -5.4658 -5.4658 -5.2950 -5.2950 -4.9883 -4.9883 -4.7279 -4.7279 -4.4489 -4.4489 -4.3872 -4.3872 -2.4768 -2.4768 -2.3127 -2.3127 -2.2860 -2.2860 -2.0632 -2.0632 -2.0214 -2.0214 -1.9260 -1.9260 -1.7271 -1.7271 -1.5799 -1.5799 -1.0656 -1.0656 -0.9884 -0.9884 -0.8357 -0.8357 -0.7929 -0.7929 -0.7372 -0.7372 -0.6382 -0.6382 4.9160 4.9160 k =-0.3707 0.5260 0.8632 ( 6368 PWs) bands (ev): -19.8268 -19.8268 -19.8089 -19.8089 -18.4119 -18.4119 -18.3809 -18.3809 -12.6689 -12.6689 -12.6263 -12.6263 -9.1713 -9.1713 -9.1472 -9.1472 -5.4941 -5.4941 -5.2964 -5.2964 -4.9815 -4.9815 -4.6950 -4.6950 -4.4469 -4.4469 -4.3804 -4.3804 -2.4604 -2.4604 -2.3220 -2.3220 -2.3044 -2.3044 -2.0927 -2.0927 -2.0363 -2.0363 -1.9162 -1.9162 -1.7025 -1.7025 -1.5798 -1.5798 -1.0559 -1.0559 -0.9800 -0.9800 -0.8377 -0.8377 -0.7875 -0.7875 -0.7438 -0.7438 -0.6466 -0.6466 4.8794 4.8794 k =-0.3824 0.5082 0.8632 ( 6364 PWs) bands (ev): -19.8279 -19.8279 -19.8077 -19.8077 -18.4124 -18.4124 -18.3805 -18.3805 -12.6708 -12.6708 -12.6237 -12.6237 -9.1718 -9.1718 -9.1487 -9.1487 -5.5202 -5.5202 -5.2975 -5.2975 -4.9751 -4.9751 -4.6640 -4.6640 -4.4450 -4.4450 -4.3741 -4.3741 -2.4433 -2.4433 -2.3307 -2.3307 -2.3218 -2.3218 -2.1204 -2.1204 -2.0522 -2.0522 -1.9086 -1.9086 -1.6785 -1.6785 -1.5797 -1.5797 -1.0450 -1.0450 -0.9707 -0.9707 -0.8395 -0.8395 -0.7827 -0.7827 -0.7509 -0.7509 -0.6557 -0.6557 4.8453 4.8453 k =-0.3942 0.4903 0.8632 ( 6356 PWs) bands (ev): -19.8289 -19.8289 -19.8066 -19.8066 -18.4129 -18.4129 -18.3801 -18.3801 -12.6724 -12.6724 -12.6213 -12.6213 -9.1722 -9.1722 -9.1501 -9.1501 -5.5442 -5.5442 -5.2986 -5.2986 -4.9690 -4.9690 -4.6350 -4.6350 -4.4433 -4.4433 -4.3682 -4.3682 -2.4258 -2.4258 -2.3386 -2.3386 -2.3380 -2.3380 -2.1461 -2.1461 -2.0691 -2.0691 -1.9028 -1.9028 -1.6560 -1.6560 -1.5797 -1.5797 -1.0328 -1.0328 -0.9608 -0.9608 -0.8410 -0.8410 -0.7783 -0.7783 -0.7584 -0.7584 -0.6657 -0.6657 4.8139 4.8139 k =-0.4059 0.4725 0.8632 ( 6364 PWs) bands (ev): -19.8299 -19.8299 -19.8056 -19.8056 -18.4133 -18.4133 -18.3798 -18.3798 -12.6740 -12.6740 -12.6191 -12.6191 -9.1725 -9.1725 -9.1513 -9.1513 -5.5659 -5.5659 -5.2995 -5.2995 -4.9633 -4.9633 -4.6083 -4.6083 -4.4417 -4.4417 -4.3629 -4.3629 -2.4077 -2.4077 -2.3528 -2.3528 -2.3458 -2.3458 -2.1696 -2.1696 -2.0868 -2.0868 -1.8982 -1.8982 -1.6355 -1.6355 -1.5796 -1.5796 -1.0194 -1.0194 -0.9503 -0.9503 -0.8423 -0.8423 -0.7751 -0.7751 -0.7657 -0.7657 -0.6762 -0.6762 4.7854 4.7854 k =-0.4177 0.4547 0.8632 ( 6364 PWs) bands (ev): -19.8307 -19.8307 -19.8047 -19.8047 -18.4137 -18.4137 -18.3796 -18.3796 -12.6754 -12.6754 -12.6171 -12.6171 -9.1728 -9.1728 -9.1525 -9.1525 -5.5853 -5.5853 -5.3002 -5.3002 -4.9581 -4.9581 -4.5842 -4.5842 -4.4403 -4.4403 -4.3582 -4.3582 -2.3892 -2.3892 -2.3662 -2.3662 -2.3521 -2.3521 -2.1909 -2.1909 -2.1052 -2.1052 -1.8945 -1.8945 -1.6173 -1.6173 -1.5794 -1.5794 -1.0052 -1.0052 -0.9393 -0.9393 -0.8434 -0.8434 -0.7778 -0.7778 -0.7681 -0.7681 -0.6874 -0.6874 4.7599 4.7599 k =-0.4294 0.4369 0.8632 ( 6372 PWs) bands (ev): -19.8314 -19.8314 -19.8039 -19.8039 -18.4140 -18.4140 -18.3793 -18.3793 -12.6766 -12.6766 -12.6154 -12.6154 -9.1730 -9.1730 -9.1534 -9.1534 -5.6022 -5.6022 -5.3008 -5.3008 -4.9535 -4.9535 -4.5628 -4.5628 -4.4391 -4.4391 -4.3540 -4.3540 -2.3783 -2.3783 -2.3702 -2.3702 -2.3573 -2.3573 -2.2097 -2.2097 -2.1242 -2.1242 -1.8916 -1.8916 -1.6019 -1.6019 -1.5790 -1.5790 -0.9903 -0.9903 -0.9280 -0.9280 -0.8444 -0.8444 -0.7861 -0.7861 -0.7657 -0.7657 -0.6990 -0.6990 4.7374 4.7374 k =-0.4412 0.4191 0.8632 ( 6378 PWs) bands (ev): -19.8321 -19.8321 -19.8032 -19.8032 -18.4143 -18.4143 -18.3791 -18.3791 -12.6776 -12.6776 -12.6139 -12.6139 -9.1732 -9.1732 -9.1542 -9.1542 -5.6166 -5.6166 -5.3014 -5.3014 -4.9495 -4.9495 -4.5444 -4.5444 -4.4380 -4.4380 -4.3504 -4.3504 -2.3882 -2.3882 -2.3633 -2.3633 -2.3497 -2.3497 -2.2258 -2.2258 -2.1437 -2.1437 -1.8892 -1.8892 -1.5898 -1.5898 -1.5778 -1.5778 -0.9754 -0.9754 -0.9165 -0.9165 -0.8451 -0.8451 -0.7955 -0.7955 -0.7632 -0.7632 -0.7106 -0.7106 4.7182 4.7182 k =-0.4530 0.4013 0.8632 ( 6386 PWs) bands (ev): -19.8326 -19.8326 -19.8027 -19.8027 -18.4145 -18.4145 -18.3789 -18.3789 -12.6785 -12.6785 -12.6127 -12.6127 -9.1733 -9.1733 -9.1549 -9.1549 -5.6285 -5.6285 -5.3018 -5.3018 -4.9461 -4.9461 -4.5291 -4.5291 -4.4371 -4.4371 -4.3475 -4.3475 -2.3966 -2.3966 -2.3669 -2.3669 -2.3303 -2.3303 -2.2392 -2.2392 -2.1636 -2.1636 -1.8874 -1.8874 -1.5832 -1.5832 -1.5736 -1.5736 -0.9610 -0.9610 -0.9050 -0.9050 -0.8457 -0.8457 -0.8054 -0.8054 -0.7610 -0.7610 -0.7219 -0.7219 4.7024 4.7024 k =-0.4647 0.3834 0.8632 ( 6390 PWs) bands (ev): -19.8330 -19.8330 -19.8022 -19.8022 -18.4147 -18.4147 -18.3788 -18.3788 -12.6791 -12.6791 -12.6118 -12.6118 -9.1734 -9.1734 -9.1555 -9.1555 -5.6378 -5.6378 -5.3021 -5.3021 -4.9434 -4.9434 -4.5170 -4.5170 -4.4364 -4.4364 -4.3452 -4.3452 -2.4031 -2.4031 -2.3699 -2.3699 -2.3105 -2.3105 -2.2498 -2.2498 -2.1837 -2.1837 -1.8861 -1.8861 -1.5816 -1.5816 -1.5670 -1.5670 -0.9480 -0.9480 -0.8936 -0.8936 -0.8461 -0.8461 -0.8155 -0.8155 -0.7592 -0.7592 -0.7323 -0.7323 4.6900 4.6900 k =-0.4765 0.3656 0.8632 ( 6388 PWs) bands (ev): -19.8333 -19.8333 -19.8019 -19.8019 -18.4148 -18.4148 -18.3787 -18.3787 -12.6796 -12.6796 -12.6111 -12.6111 -9.1735 -9.1735 -9.1558 -9.1558 -5.6445 -5.6445 -5.3023 -5.3023 -4.9415 -4.9415 -4.5083 -4.5083 -4.4359 -4.4359 -4.3435 -4.3435 -2.4078 -2.4078 -2.3720 -2.3720 -2.2907 -2.2907 -2.2574 -2.2574 -2.2037 -2.2037 -1.8851 -1.8851 -1.5811 -1.5811 -1.5616 -1.5616 -0.9374 -0.9374 -0.8830 -0.8830 -0.8463 -0.8463 -0.8253 -0.8253 -0.7578 -0.7578 -0.7409 -0.7409 4.6811 4.6811 k =-0.4882 0.3478 0.8632 ( 6388 PWs) bands (ev): -19.8335 -19.8335 -19.8017 -19.8017 -18.4149 -18.4149 -18.3786 -18.3786 -12.6799 -12.6799 -12.6107 -12.6107 -9.1735 -9.1735 -9.1561 -9.1561 -5.6485 -5.6485 -5.3024 -5.3024 -4.9403 -4.9403 -4.5031 -4.5031 -4.4356 -4.4356 -4.3425 -4.3425 -2.4107 -2.4107 -2.3733 -2.3733 -2.2719 -2.2719 -2.2618 -2.2618 -2.2227 -2.2227 -1.8846 -1.8846 -1.5809 -1.5809 -1.5583 -1.5583 -0.9304 -0.9304 -0.8741 -0.8741 -0.8462 -0.8462 -0.8338 -0.8338 -0.7570 -0.7570 -0.7468 -0.7468 4.6757 4.6757 k =-0.5000 0.3300 0.8632 ( 6384 PWs) bands (ev): -19.8335 -19.8335 -19.8017 -19.8017 -18.4149 -18.4149 -18.3786 -18.3786 -12.6800 -12.6800 -12.6105 -12.6105 -9.1735 -9.1735 -9.1561 -9.1561 -5.6499 -5.6499 -5.3025 -5.3025 -4.9399 -4.9399 -4.5013 -4.5013 -4.4355 -4.4355 -4.3422 -4.3422 -2.4116 -2.4116 -2.3738 -2.3738 -2.2642 -2.2642 -2.2595 -2.2595 -2.2343 -2.2343 -1.8844 -1.8844 -1.5809 -1.5809 -1.5572 -1.5572 -0.9279 -0.9279 -0.8702 -0.8702 -0.8458 -0.8458 -0.8380 -0.8380 -0.7567 -0.7567 -0.7489 -0.7489 4.6739 4.6739 k =-0.5000 0.3300 0.8632 ( 6384 PWs) bands (ev): -19.8335 -19.8335 -19.8017 -19.8017 -18.4149 -18.4149 -18.3786 -18.3786 -12.6800 -12.6800 -12.6105 -12.6105 -9.1735 -9.1735 -9.1561 -9.1561 -5.6499 -5.6499 -5.3025 -5.3025 -4.9399 -4.9399 -4.5013 -4.5013 -4.4355 -4.4355 -4.3422 -4.3422 -2.4116 -2.4116 -2.3738 -2.3738 -2.2642 -2.2642 -2.2595 -2.2595 -2.2343 -2.2343 -1.8844 -1.8844 -1.5809 -1.5809 -1.5572 -1.5572 -0.9279 -0.9279 -0.8702 -0.8702 -0.8458 -0.8458 -0.8380 -0.8380 -0.7567 -0.7567 -0.7489 -0.7489 4.6739 4.6739 k =-0.5000 0.3300 0.8417 ( 6388 PWs) bands (ev): -19.8336 -19.8336 -19.8018 -19.8018 -18.4150 -18.4150 -18.3786 -18.3786 -12.6800 -12.6800 -12.6106 -12.6106 -9.1747 -9.1747 -9.1536 -9.1536 -5.6510 -5.6510 -5.3025 -5.3025 -4.9396 -4.9396 -4.5014 -4.5014 -4.4352 -4.4352 -4.3419 -4.3419 -2.4104 -2.4104 -2.3749 -2.3749 -2.2647 -2.2647 -2.2592 -2.2592 -2.2336 -2.2336 -1.8851 -1.8851 -1.5806 -1.5806 -1.5557 -1.5557 -0.9290 -0.9290 -0.8699 -0.8699 -0.8456 -0.8456 -0.8379 -0.8379 -0.7564 -0.7564 -0.7488 -0.7488 4.6752 4.6752 k =-0.5000 0.3300 0.8201 ( 6384 PWs) bands (ev): -19.8339 -19.8339 -19.8020 -19.8020 -18.4152 -18.4152 -18.3787 -18.3787 -12.6801 -12.6801 -12.6108 -12.6108 -9.1770 -9.1770 -9.1475 -9.1475 -5.6545 -5.6545 -5.3027 -5.3027 -4.9387 -4.9387 -4.5016 -4.5016 -4.4343 -4.4343 -4.3412 -4.3412 -2.4069 -2.4069 -2.3780 -2.3780 -2.2666 -2.2666 -2.2581 -2.2581 -2.2314 -2.2314 -1.8872 -1.8872 -1.5797 -1.5797 -1.5512 -1.5512 -0.9321 -0.9321 -0.8689 -0.8689 -0.8449 -0.8449 -0.8376 -0.8376 -0.7557 -0.7557 -0.7485 -0.7485 4.6791 4.6791 k =-0.5000 0.3300 0.7985 ( 6392 PWs) bands (ev): -19.8344 -19.8344 -19.8025 -19.8025 -18.4154 -18.4154 -18.3788 -18.3788 -12.6804 -12.6804 -12.6112 -12.6112 -9.1790 -9.1790 -9.1392 -9.1392 -5.6602 -5.6602 -5.3028 -5.3028 -4.9372 -4.9372 -4.5019 -4.5019 -4.4329 -4.4329 -4.3399 -4.3399 -2.4010 -2.4010 -2.3830 -2.3830 -2.2699 -2.2699 -2.2562 -2.2562 -2.2277 -2.2277 -1.8908 -1.8908 -1.5782 -1.5782 -1.5437 -1.5437 -0.9371 -0.9371 -0.8673 -0.8673 -0.8441 -0.8441 -0.8371 -0.8371 -0.7546 -0.7546 -0.7480 -0.7480 4.6855 4.6855 k =-0.5000 0.3300 0.7769 ( 6390 PWs) bands (ev): -19.8351 -19.8351 -19.8031 -19.8031 -18.4158 -18.4158 -18.3789 -18.3789 -12.6806 -12.6806 -12.6118 -12.6118 -9.1801 -9.1801 -9.1294 -9.1294 -5.6680 -5.6680 -5.3031 -5.3031 -4.9352 -4.9352 -4.5025 -4.5025 -4.4310 -4.4310 -4.3380 -4.3380 -2.3927 -2.3927 -2.3897 -2.3897 -2.2746 -2.2746 -2.2538 -2.2538 -2.2227 -2.2227 -1.8959 -1.8959 -1.5762 -1.5762 -1.5332 -1.5332 -0.9436 -0.9436 -0.8650 -0.8650 -0.8431 -0.8431 -0.8364 -0.8364 -0.7531 -0.7531 -0.7474 -0.7474 4.6943 4.6943 k =-0.5000 0.3300 0.7553 ( 6382 PWs) bands (ev): -19.8359 -19.8359 -19.8038 -19.8038 -18.4163 -18.4163 -18.3791 -18.3791 -12.6810 -12.6810 -12.6125 -12.6125 -9.1801 -9.1801 -9.1181 -9.1181 -5.6780 -5.6780 -5.3033 -5.3033 -4.9326 -4.9326 -4.5032 -4.5032 -4.4285 -4.4285 -4.3357 -4.3357 -2.3978 -2.3978 -2.3821 -2.3821 -2.2808 -2.2808 -2.2511 -2.2511 -2.2162 -2.2162 -1.9025 -1.9025 -1.5737 -1.5737 -1.5197 -1.5197 -0.9512 -0.9512 -0.8622 -0.8622 -0.8423 -0.8423 -0.8356 -0.8356 -0.7511 -0.7511 -0.7466 -0.7466 4.7054 4.7054 k =-0.5000 0.3300 0.7338 ( 6374 PWs) bands (ev): -19.8370 -19.8370 -19.8047 -19.8047 -18.4169 -18.4169 -18.3793 -18.3793 -12.6814 -12.6814 -12.6133 -12.6133 -9.1789 -9.1789 -9.1057 -9.1057 -5.6898 -5.6898 -5.3034 -5.3034 -4.9294 -4.9294 -4.5043 -4.5043 -4.4255 -4.4255 -4.3329 -4.3329 -2.4070 -2.4070 -2.3692 -2.3692 -2.2885 -2.2885 -2.2484 -2.2484 -2.2083 -2.2083 -1.9107 -1.9107 -1.5707 -1.5707 -1.5034 -1.5034 -0.9596 -0.9596 -0.8589 -0.8589 -0.8417 -0.8417 -0.8347 -0.8347 -0.7487 -0.7487 -0.7457 -0.7457 4.7186 4.7186 k =-0.5000 0.3300 0.7122 ( 6386 PWs) bands (ev): -19.8382 -19.8382 -19.8058 -19.8058 -18.4176 -18.4176 -18.3795 -18.3795 -12.6819 -12.6819 -12.6143 -12.6143 -9.1766 -9.1766 -9.0920 -9.0920 -5.7034 -5.7034 -5.3035 -5.3035 -4.9258 -4.9258 -4.5057 -4.5057 -4.4220 -4.4220 -4.3297 -4.3297 -2.4172 -2.4172 -2.3540 -2.3540 -2.2977 -2.2977 -2.2458 -2.2458 -2.1991 -2.1991 -1.9205 -1.9205 -1.5673 -1.5673 -1.4845 -1.4845 -0.9686 -0.9686 -0.8551 -0.8551 -0.8413 -0.8413 -0.8338 -0.8338 -0.7460 -0.7460 -0.7447 -0.7447 4.7336 4.7336 k =-0.5000 0.3300 0.6906 ( 6376 PWs) bands (ev): -19.8396 -19.8396 -19.8071 -19.8071 -18.4184 -18.4184 -18.3798 -18.3798 -12.6825 -12.6825 -12.6155 -12.6155 -9.1732 -9.1732 -9.0773 -9.0773 -5.7187 -5.7187 -5.3034 -5.3034 -4.9216 -4.9216 -4.5075 -4.5075 -4.4180 -4.4180 -4.3260 -4.3260 -2.4281 -2.4281 -2.3367 -2.3367 -2.3083 -2.3083 -2.2434 -2.2434 -2.1886 -2.1886 -1.9321 -1.9321 -1.5633 -1.5633 -1.4630 -1.4630 -0.9779 -0.9779 -0.8511 -0.8511 -0.8410 -0.8410 -0.8328 -0.8328 -0.7437 -0.7437 -0.7428 -0.7428 4.7501 4.7501 k =-0.5000 0.3300 0.6690 ( 6368 PWs) bands (ev): -19.8411 -19.8411 -19.8084 -19.8084 -18.4192 -18.4192 -18.3801 -18.3801 -12.6832 -12.6832 -12.6167 -12.6167 -9.1688 -9.1688 -9.0616 -9.0616 -5.7353 -5.7353 -5.3030 -5.3030 -4.9170 -4.9170 -4.5097 -4.5097 -4.4134 -4.4134 -4.3219 -4.3219 -2.4396 -2.4396 -2.3220 -2.3220 -2.3156 -2.3156 -2.2413 -2.2413 -2.1768 -2.1768 -1.9454 -1.9454 -1.5589 -1.5589 -1.4392 -1.4392 -0.9872 -0.9872 -0.8475 -0.8475 -0.8401 -0.8401 -0.8318 -0.8318 -0.7426 -0.7426 -0.7394 -0.7394 4.7676 4.7676 k =-0.5000 0.3300 0.6474 ( 6360 PWs) bands (ev): -19.8428 -19.8428 -19.8099 -19.8099 -18.4202 -18.4202 -18.3804 -18.3804 -12.6839 -12.6839 -12.6181 -12.6181 -9.1632 -9.1632 -9.0450 -9.0450 -5.7532 -5.7532 -5.3023 -5.3023 -4.9119 -4.9119 -4.5124 -4.5124 -4.4085 -4.4085 -4.3175 -4.3175 -2.4516 -2.4516 -2.3348 -2.3348 -2.2949 -2.2949 -2.2396 -2.2396 -2.1639 -2.1639 -1.9605 -1.9605 -1.5540 -1.5540 -1.4132 -1.4132 -0.9963 -0.9963 -0.8460 -0.8460 -0.8372 -0.8372 -0.8306 -0.8306 -0.7415 -0.7415 -0.7357 -0.7357 4.7857 4.7857 k =-0.5000 0.3300 0.6259 ( 6364 PWs) bands (ev): -19.8446 -19.8446 -19.8115 -19.8115 -18.4212 -18.4212 -18.3808 -18.3808 -12.6847 -12.6847 -12.6196 -12.6196 -9.1567 -9.1567 -9.0275 -9.0275 -5.7722 -5.7722 -5.3013 -5.3013 -4.9064 -4.9064 -4.5157 -4.5157 -4.4031 -4.4031 -4.3127 -4.3127 -2.4640 -2.4640 -2.3503 -2.3503 -2.2711 -2.2711 -2.2383 -2.2383 -2.1498 -2.1498 -1.9775 -1.9775 -1.5486 -1.5486 -1.3853 -1.3853 -1.0050 -1.0050 -0.8463 -0.8463 -0.8324 -0.8324 -0.8293 -0.8293 -0.7404 -0.7404 -0.7317 -0.7317 4.8038 4.8038 k =-0.5000 0.3300 0.6043 ( 6360 PWs) bands (ev): -19.8465 -19.8465 -19.8133 -19.8133 -18.4222 -18.4222 -18.3812 -18.3812 -12.6855 -12.6855 -12.6212 -12.6212 -9.1492 -9.1492 -9.0092 -9.0092 -5.7920 -5.7920 -5.2997 -5.2997 -4.9006 -4.9006 -4.5195 -4.5195 -4.3973 -4.3973 -4.3076 -4.3076 -2.4767 -2.4767 -2.3673 -2.3673 -2.2454 -2.2454 -2.2374 -2.2374 -2.1346 -2.1346 -1.9963 -1.9963 -1.5428 -1.5428 -1.3556 -1.3556 -1.0133 -1.0133 -0.8475 -0.8475 -0.8289 -0.8289 -0.8258 -0.8258 -0.7394 -0.7394 -0.7274 -0.7274 4.8214 4.8214 k =-0.5000 0.3300 0.5827 ( 6358 PWs) bands (ev): -19.8486 -19.8486 -19.8151 -19.8151 -18.4234 -18.4234 -18.3816 -18.3816 -12.6863 -12.6863 -12.6229 -12.6229 -9.1409 -9.1409 -8.9902 -8.9902 -5.8125 -5.8125 -5.2976 -5.2976 -4.8944 -4.8944 -4.5238 -4.5238 -4.3911 -4.3911 -4.3023 -4.3023 -2.4895 -2.4895 -2.3861 -2.3861 -2.2370 -2.2370 -2.2178 -2.2178 -2.1184 -2.1184 -2.0170 -2.0170 -1.5366 -1.5366 -1.3243 -1.3243 -1.0208 -1.0208 -0.8492 -0.8492 -0.8274 -0.8274 -0.8196 -0.8196 -0.7385 -0.7385 -0.7230 -0.7230 4.8381 4.8381 k =-0.5000 0.3300 0.5611 ( 6352 PWs) bands (ev): -19.8507 -19.8507 -19.8170 -19.8170 -18.4245 -18.4245 -18.3820 -18.3820 -12.6873 -12.6873 -12.6246 -12.6246 -9.1317 -9.1317 -8.9707 -8.9707 -5.8336 -5.8336 -5.2949 -5.2949 -4.8880 -4.8880 -4.5286 -4.5286 -4.3845 -4.3845 -4.2967 -4.2967 -2.5026 -2.5026 -2.4064 -2.4064 -2.2369 -2.2369 -2.1884 -2.1884 -2.1013 -2.1013 -2.0395 -2.0395 -1.5300 -1.5300 -1.2918 -1.2918 -1.0276 -1.0276 -0.8511 -0.8511 -0.8261 -0.8261 -0.8130 -0.8130 -0.7377 -0.7377 -0.7184 -0.7184 4.8534 4.8534 k =-0.5000 0.3300 0.5395 ( 6352 PWs) bands (ev): -19.8529 -19.8529 -19.8190 -19.8190 -18.4258 -18.4258 -18.3825 -18.3825 -12.6882 -12.6882 -12.6264 -12.6264 -9.1218 -9.1218 -8.9506 -8.9506 -5.8551 -5.8551 -5.2916 -5.2916 -4.8813 -4.8813 -4.5340 -4.5340 -4.3777 -4.3777 -4.2910 -4.2910 -2.5156 -2.5156 -2.4283 -2.4283 -2.2372 -2.2372 -2.1575 -2.1575 -2.0837 -2.0837 -2.0634 -2.0634 -1.5231 -1.5231 -1.2582 -1.2582 -1.0335 -1.0335 -0.8532 -0.8532 -0.8247 -0.8247 -0.8060 -0.8060 -0.7369 -0.7369 -0.7137 -0.7137 4.8671 4.8671 k =-0.5000 0.3300 0.5179 ( 6356 PWs) bands (ev): -19.8552 -19.8552 -19.8211 -19.8211 -18.4270 -18.4270 -18.3830 -18.3830 -12.6892 -12.6892 -12.6283 -12.6283 -9.1113 -9.1113 -8.9302 -8.9302 -5.8767 -5.8767 -5.2874 -5.2874 -4.8744 -4.8744 -4.5398 -4.5398 -4.3705 -4.3705 -4.2851 -4.2851 -2.5286 -2.5286 -2.4517 -2.4517 -2.2379 -2.2379 -2.1254 -2.1254 -2.0905 -2.0905 -2.0637 -2.0637 -1.5158 -1.5158 -1.2240 -1.2240 -1.0385 -1.0385 -0.8555 -0.8555 -0.8234 -0.8234 -0.7988 -0.7988 -0.7362 -0.7362 -0.7089 -0.7089 4.8791 4.8791 k =-0.5000 0.3300 0.4964 ( 6360 PWs) bands (ev): -19.8576 -19.8576 -19.8232 -19.8232 -18.4283 -18.4283 -18.3835 -18.3835 -12.6902 -12.6902 -12.6303 -12.6303 -9.1002 -9.1002 -8.9095 -8.9095 -5.8985 -5.8985 -5.2824 -5.2824 -4.8673 -4.8673 -4.5460 -4.5460 -4.3631 -4.3631 -4.2791 -4.2791 -2.5416 -2.5416 -2.4766 -2.4766 -2.2389 -2.2389 -2.1190 -2.1190 -2.0906 -2.0906 -2.0446 -2.0446 -1.5082 -1.5082 -1.1893 -1.1893 -1.0425 -1.0425 -0.8578 -0.8578 -0.8221 -0.8221 -0.7914 -0.7914 -0.7356 -0.7356 -0.7040 -0.7040 4.8895 4.8895 k =-0.5000 0.3300 0.4748 ( 6360 PWs) bands (ev): -19.8600 -19.8600 -19.8254 -19.8254 -18.4296 -18.4296 -18.3841 -18.3841 -12.6912 -12.6912 -12.6323 -12.6323 -9.0885 -9.0885 -8.8886 -8.8886 -5.9201 -5.9201 -5.2765 -5.2765 -4.8602 -4.8602 -4.5526 -4.5526 -4.3555 -4.3555 -4.2732 -4.2732 -2.5544 -2.5544 -2.5028 -2.5028 -2.2402 -2.2402 -2.1478 -2.1478 -2.0561 -2.0561 -2.0245 -2.0245 -1.5003 -1.5003 -1.1546 -1.1546 -1.0456 -1.0456 -0.8601 -0.8601 -0.8208 -0.8208 -0.7840 -0.7840 -0.7349 -0.7349 -0.6990 -0.6990 4.8982 4.8982 k =-0.5000 0.3300 0.4532 ( 6360 PWs) bands (ev): -19.8624 -19.8624 -19.8275 -19.8275 -18.4309 -18.4309 -18.3846 -18.3846 -12.6923 -12.6923 -12.6343 -12.6343 -9.0765 -9.0765 -8.8676 -8.8676 -5.9416 -5.9416 -5.2696 -5.2696 -4.8530 -4.8530 -4.5594 -4.5594 -4.3478 -4.3478 -4.2672 -4.2672 -2.5671 -2.5671 -2.5301 -2.5301 -2.2418 -2.2418 -2.1782 -2.1782 -2.0205 -2.0205 -2.0037 -2.0037 -1.4922 -1.4922 -1.1203 -1.1203 -1.0477 -1.0477 -0.8623 -0.8623 -0.8195 -0.8195 -0.7765 -0.7765 -0.7339 -0.7339 -0.6941 -0.6941 4.9053 4.9053 k =-0.5000 0.3300 0.4316 ( 6364 PWs) bands (ev): -19.8649 -19.8649 -19.8297 -19.8297 -18.4322 -18.4322 -18.3852 -18.3852 -12.6933 -12.6933 -12.6363 -12.6363 -9.0642 -9.0642 -8.8467 -8.8467 -5.9627 -5.9627 -5.2618 -5.2618 -4.8459 -4.8459 -4.5666 -4.5666 -4.3398 -4.3398 -4.2612 -4.2612 -2.5796 -2.5796 -2.5585 -2.5585 -2.2437 -2.2437 -2.2099 -2.2099 -1.9867 -1.9867 -1.9799 -1.9799 -1.4839 -1.4839 -1.0869 -1.0869 -1.0489 -1.0489 -0.8644 -0.8644 -0.8183 -0.8183 -0.7691 -0.7691 -0.7325 -0.7325 -0.6892 -0.6892 4.9110 4.9110 k =-0.5000 0.3300 0.4100 ( 6348 PWs) bands (ev): -19.8673 -19.8673 -19.8319 -19.8319 -18.4335 -18.4335 -18.3857 -18.3857 -12.6944 -12.6944 -12.6383 -12.6383 -9.0516 -9.0516 -8.8259 -8.8259 -5.9835 -5.9835 -5.2529 -5.2529 -4.8389 -4.8389 -4.5738 -4.5738 -4.3318 -4.3318 -4.2554 -4.2554 -2.5927 -2.5927 -2.5867 -2.5867 -2.2460 -2.2460 -2.2422 -2.2422 -1.9633 -1.9633 -1.9446 -1.9446 -1.4755 -1.4755 -1.0552 -1.0552 -1.0492 -1.0492 -0.8664 -0.8664 -0.8171 -0.8171 -0.7617 -0.7617 -0.7303 -0.7303 -0.6844 -0.6844 4.9153 4.9153 k =-0.5000 0.3300 0.3885 ( 6336 PWs) bands (ev): -19.8697 -19.8697 -19.8341 -19.8341 -18.4348 -18.4348 -18.3863 -18.3863 -12.6954 -12.6954 -12.6403 -12.6403 -9.0390 -9.0390 -8.8054 -8.8054 -6.0036 -6.0036 -5.2429 -5.2429 -4.8321 -4.8321 -4.5812 -4.5812 -4.3238 -4.3238 -4.2497 -4.2497 -2.6186 -2.6186 -2.6026 -2.6026 -2.2759 -2.2759 -2.2478 -2.2478 -1.9418 -1.9418 -1.9067 -1.9067 -1.4670 -1.4670 -1.0490 -1.0490 -1.0253 -1.0253 -0.8683 -0.8683 -0.8160 -0.8160 -0.7545 -0.7545 -0.7269 -0.7269 -0.6796 -0.6796 4.9184 4.9184 k =-0.5000 0.3300 0.3669 ( 6340 PWs) bands (ev): -19.8721 -19.8721 -19.8362 -19.8362 -18.4361 -18.4361 -18.3869 -18.3869 -12.6964 -12.6964 -12.6422 -12.6422 -9.0262 -9.0262 -8.7853 -8.7853 -6.0232 -6.0232 -5.2319 -5.2319 -4.8257 -4.8257 -4.5886 -4.5886 -4.3157 -4.3157 -4.2442 -4.2442 -2.6489 -2.6489 -2.6142 -2.6142 -2.3096 -2.3096 -2.2501 -2.2501 -1.9206 -1.9206 -1.8681 -1.8681 -1.4585 -1.4585 -1.0479 -1.0479 -0.9988 -0.9988 -0.8701 -0.8701 -0.8150 -0.8150 -0.7473 -0.7473 -0.7217 -0.7217 -0.6750 -0.6750 4.9205 4.9205 k =-0.5000 0.3300 0.3453 ( 6336 PWs) bands (ev): -19.8745 -19.8745 -19.8383 -19.8383 -18.4373 -18.4373 -18.3874 -18.3874 -12.6974 -12.6974 -12.6442 -12.6442 -9.0136 -9.0136 -8.7657 -8.7657 -6.0421 -6.0421 -5.2198 -5.2198 -4.8196 -4.8196 -4.5960 -4.5960 -4.3077 -4.3077 -4.2389 -4.2389 -2.6795 -2.6795 -2.6251 -2.6251 -2.3437 -2.3437 -2.2525 -2.2525 -1.8996 -1.8996 -1.8293 -1.8293 -1.4500 -1.4500 -1.0463 -1.0463 -0.9763 -0.9763 -0.8717 -0.8717 -0.8142 -0.8142 -0.7402 -0.7402 -0.7142 -0.7142 -0.6705 -0.6705 4.9215 4.9215 k =-0.5000 0.3300 0.3237 ( 6344 PWs) bands (ev): -19.8767 -19.8767 -19.8404 -19.8404 -18.4385 -18.4385 -18.3880 -18.3880 -12.6984 -12.6984 -12.6460 -12.6460 -9.0011 -9.0011 -8.7467 -8.7467 -6.0601 -6.0601 -5.2067 -5.2067 -4.8141 -4.8141 -4.6033 -4.6033 -4.2998 -4.2998 -4.2339 -4.2339 -2.7102 -2.7102 -2.6356 -2.6356 -2.3777 -2.3777 -2.2550 -2.2550 -1.8789 -1.8789 -1.7904 -1.7904 -1.4416 -1.4416 -1.0441 -1.0441 -0.9585 -0.9585 -0.8731 -0.8731 -0.8134 -0.8134 -0.7333 -0.7333 -0.7039 -0.7039 -0.6661 -0.6661 4.9216 4.9216 k =-0.5000 0.3300 0.3021 ( 6342 PWs) bands (ev): -19.8789 -19.8789 -19.8423 -19.8423 -18.4397 -18.4397 -18.3885 -18.3885 -12.6994 -12.6994 -12.6478 -12.6478 -8.9889 -8.9889 -8.7285 -8.7285 -6.0773 -6.0773 -5.1926 -5.1926 -4.8092 -4.8092 -4.6105 -4.6105 -4.2919 -4.2919 -4.2292 -4.2292 -2.7406 -2.7406 -2.6455 -2.6455 -2.4114 -2.4114 -2.2574 -2.2574 -1.8586 -1.8586 -1.7515 -1.7515 -1.4333 -1.4333 -1.0415 -1.0415 -0.9460 -0.9460 -0.8745 -0.8745 -0.8128 -0.8128 -0.7264 -0.7264 -0.6905 -0.6905 -0.6620 -0.6620 4.9209 4.9209 k =-0.5000 0.3300 0.2806 ( 6334 PWs) bands (ev): -19.8810 -19.8810 -19.8442 -19.8442 -18.4408 -18.4408 -18.3890 -18.3890 -12.7003 -12.7003 -12.6496 -12.6496 -8.9771 -8.9771 -8.7110 -8.7110 -6.0936 -6.0936 -5.1775 -5.1775 -4.8051 -4.8051 -4.6174 -4.6174 -4.2843 -4.2843 -4.2249 -4.2249 -2.7704 -2.7704 -2.6549 -2.6549 -2.4445 -2.4445 -2.2598 -2.2598 -1.8388 -1.8388 -1.7128 -1.7128 -1.4253 -1.4253 -1.0386 -1.0386 -0.9387 -0.9387 -0.8757 -0.8757 -0.8123 -0.8123 -0.7199 -0.7199 -0.6741 -0.6741 -0.6580 -0.6580 4.9196 4.9196 k =-0.5000 0.3300 0.2590 ( 6332 PWs) bands (ev): -19.8830 -19.8830 -19.8461 -19.8461 -18.4419 -18.4419 -18.3895 -18.3895 -12.7012 -12.7012 -12.6512 -12.6512 -8.9657 -8.9657 -8.6944 -8.6944 -6.1089 -6.1089 -5.1616 -5.1616 -4.8019 -4.8019 -4.6240 -4.6240 -4.2768 -4.2768 -4.2209 -4.2209 -2.7994 -2.7994 -2.6637 -2.6637 -2.4769 -2.4769 -2.2622 -2.2622 -1.8198 -1.8198 -1.6747 -1.6747 -1.4175 -1.4175 -1.0355 -1.0355 -0.9363 -0.9363 -0.8767 -0.8767 -0.8119 -0.8119 -0.7138 -0.7138 -0.6555 -0.6555 -0.6541 -0.6541 4.9177 4.9177 k =-0.5000 0.3300 0.2374 ( 6332 PWs) bands (ev): -19.8849 -19.8849 -19.8478 -19.8478 -18.4429 -18.4429 -18.3900 -18.3900 -12.7020 -12.7020 -12.6528 -12.6528 -8.9548 -8.9548 -8.6789 -8.6789 -6.1232 -6.1232 -5.1450 -5.1450 -4.7996 -4.7996 -4.6304 -4.6304 -4.2696 -4.2696 -4.2173 -4.2173 -2.8271 -2.8271 -2.6719 -2.6719 -2.5081 -2.5081 -2.2645 -2.2645 -1.8016 -1.8016 -1.6371 -1.6371 -1.4100 -1.4100 -1.0322 -1.0322 -0.9379 -0.9379 -0.8777 -0.8777 -0.8116 -0.8116 -0.7080 -0.7080 -0.6508 -0.6508 -0.6351 -0.6351 4.9155 4.9155 k =-0.5000 0.3300 0.2158 ( 6336 PWs) bands (ev): -19.8867 -19.8867 -19.8493 -19.8493 -18.4438 -18.4438 -18.3904 -18.3904 -12.7028 -12.7028 -12.6543 -12.6543 -8.9445 -8.9445 -8.6644 -8.6644 -6.1364 -6.1364 -5.1278 -5.1278 -4.7984 -4.7984 -4.6363 -4.6363 -4.2626 -4.2626 -4.2141 -4.2141 -2.8535 -2.8535 -2.6795 -2.6795 -2.5379 -2.5379 -2.2667 -2.2667 -1.7845 -1.7845 -1.6004 -1.6004 -1.4030 -1.4030 -1.0289 -1.0289 -0.9430 -0.9430 -0.8786 -0.8786 -0.8114 -0.8114 -0.7027 -0.7027 -0.6476 -0.6476 -0.6142 -0.6142 4.9129 4.9129 k =-0.5000 0.3300 0.1942 ( 6338 PWs) bands (ev): -19.8884 -19.8884 -19.8508 -19.8508 -18.4446 -18.4446 -18.3908 -18.3908 -12.7035 -12.7035 -12.6556 -12.6556 -8.9350 -8.9350 -8.6510 -8.6510 -6.1484 -6.1484 -5.1102 -5.1102 -4.7984 -4.7984 -4.6418 -4.6418 -4.2560 -4.2560 -4.2114 -4.2114 -2.8781 -2.8781 -2.6864 -2.6864 -2.5661 -2.5661 -2.2688 -2.2688 -1.7684 -1.7684 -1.5647 -1.5647 -1.3964 -1.3964 -1.0257 -1.0257 -0.9507 -0.9507 -0.8794 -0.8794 -0.8113 -0.8113 -0.6978 -0.6978 -0.6446 -0.6446 -0.5936 -0.5936 4.9102 4.9102 k =-0.5000 0.3300 0.1726 ( 6338 PWs) bands (ev): -19.8898 -19.8898 -19.8522 -19.8522 -18.4454 -18.4454 -18.3912 -18.3912 -12.7041 -12.7041 -12.6569 -12.6569 -8.9262 -8.9262 -8.6389 -8.6389 -6.1593 -6.1593 -5.0924 -5.0924 -4.7995 -4.7995 -4.6468 -4.6468 -4.2497 -4.2497 -4.2092 -4.2092 -2.9008 -2.9008 -2.6927 -2.6927 -2.5923 -2.5923 -2.2707 -2.2707 -1.7536 -1.7536 -1.5304 -1.5304 -1.3903 -1.3903 -1.0225 -1.0225 -0.9605 -0.9605 -0.8801 -0.8801 -0.8113 -0.8113 -0.6934 -0.6934 -0.6419 -0.6419 -0.5737 -0.5737 4.9073 4.9073 k =-0.5000 0.3300 0.1511 ( 6328 PWs) bands (ev): -19.8912 -19.8912 -19.8534 -19.8534 -18.4461 -18.4461 -18.3915 -18.3915 -12.7047 -12.7047 -12.6580 -12.6580 -8.9183 -8.9183 -8.6281 -8.6281 -6.1689 -6.1689 -5.0747 -5.0747 -4.8018 -4.8018 -4.6514 -4.6514 -4.2439 -4.2439 -4.2074 -4.2074 -2.9213 -2.9213 -2.6983 -2.6983 -2.6163 -2.6163 -2.2724 -2.2724 -1.7402 -1.7402 -1.4978 -1.4978 -1.3848 -1.3848 -1.0195 -1.0195 -0.9717 -0.9717 -0.8807 -0.8807 -0.8113 -0.8113 -0.6894 -0.6894 -0.6395 -0.6395 -0.5552 -0.5552 4.9046 4.9046 k =-0.5000 0.3300 0.1295 ( 6328 PWs) bands (ev): -19.8924 -19.8924 -19.8544 -19.8544 -18.4467 -18.4467 -18.3918 -18.3918 -12.7052 -12.7052 -12.6589 -12.6589 -8.9113 -8.9113 -8.6186 -8.6186 -6.1774 -6.1774 -5.0575 -5.0575 -4.8051 -4.8051 -4.6553 -4.6553 -4.2385 -4.2385 -4.2061 -4.2061 -2.9394 -2.9394 -2.7032 -2.7032 -2.6378 -2.6378 -2.2740 -2.2740 -1.7283 -1.7283 -1.4672 -1.4672 -1.3800 -1.3800 -1.0168 -1.0168 -0.9840 -0.9840 -0.8812 -0.8812 -0.8114 -0.8114 -0.6860 -0.6860 -0.6374 -0.6374 -0.5384 -0.5384 4.9020 4.9020 k =-0.5000 0.3300 0.1079 ( 6340 PWs) bands (ev): -19.8934 -19.8934 -19.8553 -19.8553 -18.4472 -18.4472 -18.3921 -18.3921 -12.7056 -12.7056 -12.6598 -12.6598 -8.9053 -8.9053 -8.6105 -8.6105 -6.1845 -6.1845 -5.0411 -5.0411 -4.8092 -4.8092 -4.6588 -4.6588 -4.2336 -4.2336 -4.2053 -4.2053 -2.9550 -2.9550 -2.7073 -2.7073 -2.6565 -2.6565 -2.2753 -2.2753 -1.7180 -1.7180 -1.4392 -1.4392 -1.3758 -1.3758 -1.0145 -1.0145 -0.9965 -0.9965 -0.8816 -0.8816 -0.8115 -0.8115 -0.6830 -0.6830 -0.6356 -0.6356 -0.5238 -0.5238 4.8996 4.8996 k =-0.5000 0.3300 0.0863 ( 6350 PWs) bands (ev): -19.8942 -19.8942 -19.8561 -19.8561 -18.4477 -18.4477 -18.3923 -18.3923 -12.7060 -12.7060 -12.6605 -12.6605 -8.9003 -8.9003 -8.6038 -8.6038 -6.1904 -6.1904 -5.0261 -5.0261 -4.8139 -4.8139 -4.6616 -4.6616 -4.2292 -4.2292 -4.2049 -4.2049 -2.9678 -2.9678 -2.7107 -2.7107 -2.6722 -2.6722 -2.2764 -2.2764 -1.7095 -1.7095 -1.4145 -1.4145 -1.3723 -1.3723 -1.0129 -1.0129 -1.0081 -1.0081 -0.8820 -0.8820 -0.8116 -0.8116 -0.6806 -0.6806 -0.6342 -0.6342 -0.5115 -0.5115 4.8975 4.8975 k =-0.5000 0.3300 0.0647 ( 6342 PWs) bands (ev): -19.8949 -19.8949 -19.8567 -19.8567 -18.4480 -18.4480 -18.3924 -18.3924 -12.7063 -12.7063 -12.6610 -12.6610 -8.8963 -8.8963 -8.5986 -8.5986 -6.1950 -6.1950 -5.0132 -5.0132 -4.8186 -4.8186 -4.6638 -4.6638 -4.2255 -4.2255 -4.2048 -4.2048 -2.9779 -2.9779 -2.7134 -2.7134 -2.6847 -2.6847 -2.2773 -2.2773 -1.7027 -1.7027 -1.3937 -1.3937 -1.3695 -1.3695 -1.0202 -1.0202 -1.0103 -1.0103 -0.8823 -0.8823 -0.8117 -0.8117 -0.6787 -0.6787 -0.6330 -0.6330 -0.5018 -0.5018 4.8958 4.8958 k =-0.5000 0.3300 0.0432 ( 6342 PWs) bands (ev): -19.8953 -19.8953 -19.8571 -19.8571 -18.4483 -18.4483 -18.3926 -18.3926 -12.7065 -12.7065 -12.6614 -12.6614 -8.8935 -8.8935 -8.5948 -8.5948 -6.1983 -6.1983 -5.0031 -5.0031 -4.8227 -4.8227 -4.6654 -4.6654 -4.2226 -4.2226 -4.2051 -4.2051 -2.9852 -2.9852 -2.7154 -2.7154 -2.6937 -2.6937 -2.2779 -2.2779 -1.6979 -1.6979 -1.3778 -1.3778 -1.3675 -1.3675 -1.0289 -1.0289 -1.0092 -1.0092 -0.8825 -0.8825 -0.8118 -0.8118 -0.6773 -0.6773 -0.6322 -0.6322 -0.4947 -0.4947 4.8946 4.8946 k =-0.5000 0.3300 0.0216 ( 6352 PWs) bands (ev): -19.8956 -19.8956 -19.8573 -19.8573 -18.4484 -18.4484 -18.3926 -18.3926 -12.7066 -12.7066 -12.6616 -12.6616 -8.8918 -8.8918 -8.5926 -8.5926 -6.2003 -6.2003 -4.9966 -4.9966 -4.8256 -4.8256 -4.6664 -4.6664 -4.2207 -4.2207 -4.2054 -4.2054 -2.9896 -2.9896 -2.7166 -2.7166 -2.6991 -2.6991 -2.2783 -2.2783 -1.6949 -1.6949 -1.3679 -1.3679 -1.3662 -1.3662 -1.0348 -1.0348 -1.0085 -1.0085 -0.8827 -0.8827 -0.8119 -0.8119 -0.6765 -0.6765 -0.6317 -0.6317 -0.4904 -0.4904 4.8938 4.8938 k =-0.5000 0.3300 0.0000 ( 6352 PWs) bands (ev): -19.8957 -19.8957 -19.8574 -19.8574 -18.4485 -18.4485 -18.3927 -18.3927 -12.7067 -12.7067 -12.6617 -12.6617 -8.8912 -8.8912 -8.5918 -8.5918 -6.2010 -6.2010 -4.9943 -4.9943 -4.8266 -4.8266 -4.6667 -4.6667 -4.2200 -4.2200 -4.2055 -4.2055 -2.9910 -2.9910 -2.7170 -2.7170 -2.7009 -2.7009 -2.2784 -2.2784 -1.6939 -1.6939 -1.3660 -1.3660 -1.3642 -1.3642 -1.0368 -1.0368 -1.0083 -1.0083 -0.8827 -0.8827 -0.8119 -0.8119 -0.6762 -0.6762 -0.6316 -0.6316 -0.4890 -0.4890 4.8936 4.8936 k = 0.0000 0.0000 0.8632 ( 6332 PWs) bands (ev): -19.8474 -19.8474 -19.7903 -19.7903 -18.3954 -18.3954 -18.3929 -18.3929 -12.7073 -12.7073 -12.6076 -12.6076 -9.1390 -9.1390 -9.0911 -9.0911 -5.5983 -5.5983 -5.2053 -5.2053 -5.0969 -5.0969 -4.5904 -4.5904 -4.5135 -4.5135 -4.5118 -4.5118 -2.8065 -2.8065 -2.6854 -2.6854 -2.0056 -2.0056 -1.9919 -1.9919 -1.9431 -1.9431 -1.7346 -1.7346 -1.5917 -1.5917 -1.4642 -1.4642 -1.1251 -1.1251 -0.9681 -0.9681 -0.8456 -0.8456 -0.7834 -0.7834 -0.5995 -0.5995 -0.5143 -0.5143 4.5135 4.5135 k =-0.0179 0.0118 0.8632 ( 6328 PWs) bands (ev): -19.8474 -19.8474 -19.7903 -19.7903 -18.3954 -18.3954 -18.3930 -18.3930 -12.7072 -12.7072 -12.6076 -12.6076 -9.1390 -9.1390 -9.0913 -9.0913 -5.5985 -5.5985 -5.2046 -5.2046 -5.0977 -5.0977 -4.5899 -4.5899 -4.5135 -4.5135 -4.5111 -4.5111 -2.8058 -2.8058 -2.6846 -2.6846 -2.0051 -2.0051 -1.9920 -1.9920 -1.9441 -1.9441 -1.7345 -1.7345 -1.5949 -1.5949 -1.4642 -1.4642 -1.1232 -1.1232 -0.9674 -0.9674 -0.8459 -0.8459 -0.7836 -0.7836 -0.6003 -0.6003 -0.5147 -0.5147 4.5140 4.5140 k =-0.0357 0.0236 0.8632 ( 6328 PWs) bands (ev): -19.8473 -19.8473 -19.7904 -19.7904 -18.3952 -18.3952 -18.3932 -18.3932 -12.7070 -12.7070 -12.6077 -12.6077 -9.1392 -9.1392 -9.0921 -9.0921 -5.5990 -5.5990 -5.2025 -5.2025 -5.1000 -5.1000 -4.5884 -4.5884 -4.5133 -4.5133 -4.5094 -4.5094 -2.8035 -2.8035 -2.6821 -2.6821 -2.0038 -2.0038 -1.9920 -1.9920 -1.9470 -1.9470 -1.7344 -1.7344 -1.6043 -1.6043 -1.4645 -1.4645 -1.1175 -1.1175 -0.9656 -0.9656 -0.8467 -0.8467 -0.7843 -0.7843 -0.6027 -0.6027 -0.5161 -0.5161 4.5156 4.5156 k =-0.0536 0.0354 0.8632 ( 6332 PWs) bands (ev): -19.8471 -19.8471 -19.7906 -19.7906 -18.3949 -18.3949 -18.3935 -18.3935 -12.7065 -12.7065 -12.6077 -12.6077 -9.1394 -9.1394 -9.0934 -9.0934 -5.5998 -5.5998 -5.1990 -5.1990 -5.1037 -5.1037 -4.5860 -4.5860 -4.5131 -4.5131 -4.5064 -4.5064 -2.7996 -2.7996 -2.6781 -2.6781 -2.0029 -2.0029 -1.9910 -1.9910 -1.9518 -1.9518 -1.7341 -1.7341 -1.6193 -1.6193 -1.4650 -1.4650 -1.1086 -1.1086 -0.9625 -0.9625 -0.8481 -0.8481 -0.7855 -0.7855 -0.6068 -0.6068 -0.5184 -0.5184 4.5181 4.5181 k =-0.0714 0.0471 0.8632 ( 6328 PWs) bands (ev): -19.8468 -19.8468 -19.7908 -19.7908 -18.3946 -18.3946 -18.3940 -18.3940 -12.7060 -12.7060 -12.6078 -12.6078 -9.1398 -9.1398 -9.0952 -9.0952 -5.6010 -5.6010 -5.1941 -5.1941 -5.1089 -5.1089 -4.5826 -4.5826 -4.5128 -4.5128 -4.5024 -4.5024 -2.7943 -2.7943 -2.6724 -2.6724 -2.0037 -2.0037 -1.9879 -1.9879 -1.9583 -1.9583 -1.7336 -1.7336 -1.6391 -1.6391 -1.4656 -1.4656 -1.0971 -1.0971 -0.9582 -0.9582 -0.8499 -0.8499 -0.7871 -0.7871 -0.6124 -0.6124 -0.5216 -0.5216 4.5215 4.5215 k =-0.0893 0.0589 0.8632 ( 6332 PWs) bands (ev): -19.8464 -19.8464 -19.7911 -19.7911 -18.3946 -18.3946 -18.3941 -18.3941 -12.7052 -12.7052 -12.6078 -12.6078 -9.1403 -9.1403 -9.0974 -9.0974 -5.6024 -5.6024 -5.1879 -5.1879 -5.1153 -5.1153 -4.5783 -4.5783 -4.5125 -4.5125 -4.4973 -4.4973 -2.7875 -2.7875 -2.6651 -2.6651 -2.0063 -2.0063 -1.9836 -1.9836 -1.9654 -1.9654 -1.7330 -1.7330 -1.6629 -1.6629 -1.4665 -1.4665 -1.0839 -1.0839 -0.9529 -0.9529 -0.8523 -0.8523 -0.7890 -0.7890 -0.6195 -0.6195 -0.5257 -0.5257 4.5259 4.5259 k =-0.1071 0.0707 0.8632 ( 6328 PWs) bands (ev): -19.8459 -19.8459 -19.7915 -19.7915 -18.3953 -18.3953 -18.3936 -18.3936 -12.7044 -12.7044 -12.6079 -12.6079 -9.1408 -9.1408 -9.1001 -9.1001 -5.6041 -5.6041 -5.1804 -5.1804 -5.1229 -5.1229 -4.5732 -4.5732 -4.5120 -4.5120 -4.4913 -4.4913 -2.7792 -2.7792 -2.6564 -2.6564 -2.0102 -2.0102 -1.9839 -1.9839 -1.9680 -1.9680 -1.7324 -1.7324 -1.6897 -1.6897 -1.4677 -1.4677 -1.0696 -1.0696 -0.9466 -0.9466 -0.8551 -0.8551 -0.7913 -0.7913 -0.6280 -0.6280 -0.5306 -0.5306 4.5311 4.5311 k =-0.1250 0.0825 0.8632 ( 6334 PWs) bands (ev): -19.8454 -19.8454 -19.7919 -19.7919 -18.3961 -18.3961 -18.3929 -18.3929 -12.7033 -12.7033 -12.6080 -12.6080 -9.1415 -9.1415 -9.1032 -9.1032 -5.6061 -5.6061 -5.1716 -5.1716 -5.1315 -5.1315 -4.5674 -4.5674 -4.5115 -4.5115 -4.4845 -4.4845 -2.7695 -2.7695 -2.6463 -2.6463 -2.0151 -2.0151 -1.9932 -1.9932 -1.9620 -1.9620 -1.7334 -1.7334 -1.7168 -1.7168 -1.4691 -1.4691 -1.0547 -1.0547 -0.9393 -0.9393 -0.8583 -0.8583 -0.7938 -0.7938 -0.6378 -0.6378 -0.5364 -0.5364 4.5371 4.5371 k =-0.1429 0.0943 0.8632 ( 6334 PWs) bands (ev): -19.8449 -19.8449 -19.7924 -19.7924 -18.3970 -18.3970 -18.3922 -18.3922 -12.7022 -12.7022 -12.6082 -12.6082 -9.1422 -9.1422 -9.1067 -9.1067 -5.6083 -5.6083 -5.1618 -5.1618 -5.1409 -5.1409 -4.5608 -4.5608 -4.5109 -4.5109 -4.4770 -4.4770 -2.7584 -2.7584 -2.6348 -2.6348 -2.0209 -2.0209 -2.0060 -2.0060 -1.9534 -1.9534 -1.7541 -1.7541 -1.7257 -1.7257 -1.4709 -1.4709 -1.0397 -1.0397 -0.9313 -0.9313 -0.8618 -0.8618 -0.7965 -0.7965 -0.6489 -0.6489 -0.5430 -0.5430 4.5438 4.5438 k =-0.1607 0.1061 0.8632 ( 6342 PWs) bands (ev): -19.8442 -19.8442 -19.7930 -19.7930 -18.3980 -18.3980 -18.3915 -18.3915 -12.7010 -12.7010 -12.6083 -12.6083 -9.1430 -9.1430 -9.1105 -9.1105 -5.6107 -5.6107 -5.1511 -5.1511 -5.1508 -5.1508 -4.5537 -4.5537 -4.5103 -4.5103 -4.4689 -4.4689 -2.7459 -2.7459 -2.6221 -2.6221 -2.0275 -2.0275 -2.0204 -2.0204 -1.9439 -1.9439 -1.7861 -1.7861 -1.7238 -1.7238 -1.4731 -1.4731 -1.0249 -1.0249 -0.9228 -0.9228 -0.8657 -0.8657 -0.7992 -0.7992 -0.6609 -0.6609 -0.5503 -0.5503 4.5512 4.5512 k =-0.1786 0.1179 0.8632 ( 6338 PWs) bands (ev): -19.8435 -19.8435 -19.7935 -19.7935 -18.3991 -18.3991 -18.3906 -18.3906 -12.6996 -12.6996 -12.6084 -12.6084 -9.1439 -9.1439 -9.1145 -9.1145 -5.6133 -5.6133 -5.1619 -5.1619 -5.1389 -5.1389 -4.5461 -4.5461 -4.5095 -4.5095 -4.4603 -4.4603 -2.7322 -2.7322 -2.6083 -2.6083 -2.0360 -2.0360 -2.0350 -2.0350 -1.9343 -1.9343 -1.8197 -1.8197 -1.7204 -1.7204 -1.4756 -1.4756 -1.0104 -1.0104 -0.9138 -0.9138 -0.8698 -0.8698 -0.8019 -0.8019 -0.6739 -0.6739 -0.5582 -0.5582 4.5591 4.5591 k =-0.1964 0.1296 0.8632 ( 6350 PWs) bands (ev): -19.8428 -19.8428 -19.7941 -19.7941 -18.4003 -18.4003 -18.3898 -18.3898 -12.6982 -12.6982 -12.6086 -12.6086 -9.1447 -9.1447 -9.1188 -9.1188 -5.6160 -5.6160 -5.1730 -5.1730 -5.1262 -5.1262 -4.5381 -4.5381 -4.5087 -4.5087 -4.4513 -4.4513 -2.7173 -2.7173 -2.5935 -2.5935 -2.0526 -2.0526 -2.0434 -2.0434 -1.9250 -1.9250 -1.8539 -1.8539 -1.7157 -1.7157 -1.4787 -1.4787 -0.9965 -0.9965 -0.9047 -0.9047 -0.8741 -0.8741 -0.8045 -0.8045 -0.6877 -0.6877 -0.5669 -0.5669 4.5674 4.5674 k =-0.2143 0.1414 0.8632 ( 6358 PWs) bands (ev): -19.8421 -19.8421 -19.7947 -19.7947 -18.4014 -18.4014 -18.3889 -18.3889 -12.6968 -12.6968 -12.6087 -12.6087 -9.1457 -9.1457 -9.1233 -9.1233 -5.6188 -5.6188 -5.1845 -5.1845 -5.1127 -5.1127 -4.5299 -4.5299 -4.5077 -4.5077 -4.4421 -4.4421 -2.7012 -2.7012 -2.5779 -2.5779 -2.0698 -2.0698 -2.0526 -2.0526 -1.9163 -1.9163 -1.8883 -1.8883 -1.7098 -1.7098 -1.4822 -1.4822 -0.9831 -0.9831 -0.8957 -0.8957 -0.8784 -0.8784 -0.8069 -0.8069 -0.7020 -0.7020 -0.5762 -0.5762 4.5760 4.5760 k =-0.2321 0.1532 0.8632 ( 6362 PWs) bands (ev): -19.8413 -19.8413 -19.7954 -19.7954 -18.4027 -18.4027 -18.3879 -18.3879 -12.6953 -12.6953 -12.6089 -12.6089 -9.1466 -9.1466 -9.1278 -9.1278 -5.6217 -5.6217 -5.1959 -5.1959 -5.0986 -5.0986 -4.5218 -4.5218 -4.5063 -4.5063 -4.4327 -4.4327 -2.6841 -2.6841 -2.5615 -2.5615 -2.0876 -2.0876 -2.0627 -2.0627 -1.9227 -1.9227 -1.9082 -1.9082 -1.7027 -1.7027 -1.4862 -1.4862 -0.9703 -0.9703 -0.8876 -0.8876 -0.8821 -0.8821 -0.8089 -0.8089 -0.7168 -0.7168 -0.5859 -0.5859 4.5849 4.5849 k =-0.2500 0.1650 0.8632 ( 6350 PWs) bands (ev): -19.8405 -19.8405 -19.7960 -19.7960 -18.4039 -18.4039 -18.3870 -18.3870 -12.6937 -12.6937 -12.6091 -12.6091 -9.1476 -9.1476 -9.1324 -9.1324 -5.6246 -5.6246 -5.2074 -5.2074 -5.0841 -5.0841 -4.5147 -4.5147 -4.5040 -4.5040 -4.4233 -4.4233 -2.6659 -2.6659 -2.5446 -2.5446 -2.1056 -2.1056 -2.0736 -2.0736 -1.9562 -1.9562 -1.9016 -1.9016 -1.6944 -1.6944 -1.4906 -1.4906 -0.9580 -0.9580 -0.8884 -0.8884 -0.8773 -0.8773 -0.8105 -0.8105 -0.7318 -0.7318 -0.5962 -0.5962 4.5939 4.5939 k =-0.2679 0.1768 0.8632 ( 6348 PWs) bands (ev): -19.8398 -19.8398 -19.7966 -19.7966 -18.4051 -18.4051 -18.3860 -18.3860 -12.6922 -12.6922 -12.6092 -12.6092 -9.1485 -9.1485 -9.1370 -9.1370 -5.6274 -5.6274 -5.2187 -5.2187 -5.0693 -5.0693 -4.5100 -4.5100 -4.4992 -4.4992 -4.4140 -4.4140 -2.6468 -2.6468 -2.5274 -2.5274 -2.1237 -2.1237 -2.0853 -2.0853 -1.9890 -1.9890 -1.8961 -1.8961 -1.6849 -1.6849 -1.4956 -1.4956 -0.9463 -0.9463 -0.8926 -0.8926 -0.8695 -0.8695 -0.8115 -0.8115 -0.7468 -0.7468 -0.6069 -0.6069 4.6029 4.6029 k =-0.2857 0.1886 0.8632 ( 6352 PWs) bands (ev): -19.8390 -19.8390 -19.7973 -19.7973 -18.4063 -18.4063 -18.3851 -18.3851 -12.6907 -12.6907 -12.6094 -12.6094 -9.1495 -9.1495 -9.1416 -9.1416 -5.6303 -5.6303 -5.2296 -5.2296 -5.0544 -5.0544 -4.5078 -4.5078 -4.4921 -4.4921 -4.4048 -4.4048 -2.6270 -2.6270 -2.5100 -2.5100 -2.1416 -2.1416 -2.0979 -2.0979 -2.0206 -2.0206 -1.8917 -1.8917 -1.6745 -1.6745 -1.5011 -1.5011 -0.9351 -0.9351 -0.8969 -0.8969 -0.8622 -0.8622 -0.8120 -0.8120 -0.7616 -0.7616 -0.6180 -0.6180 4.6117 4.6117 k =-0.3036 0.2004 0.8632 ( 6360 PWs) bands (ev): -19.8382 -19.8382 -19.7979 -19.7979 -18.4075 -18.4075 -18.3842 -18.3842 -12.6892 -12.6892 -12.6095 -12.6095 -9.1504 -9.1504 -9.1460 -9.1460 -5.6330 -5.6330 -5.2401 -5.2401 -5.0396 -5.0396 -4.5065 -4.5065 -4.4844 -4.4844 -4.3960 -4.3960 -2.6064 -2.6064 -2.4926 -2.4926 -2.1590 -2.1590 -2.1112 -2.1112 -2.0509 -2.0509 -1.8884 -1.8884 -1.6635 -1.6635 -1.5069 -1.5069 -0.9245 -0.9245 -0.9011 -0.9011 -0.8557 -0.8557 -0.8117 -0.8117 -0.7761 -0.7761 -0.6293 -0.6293 4.6204 4.6204 k =-0.3214 0.2121 0.8632 ( 6370 PWs) bands (ev): -19.8375 -19.8375 -19.7985 -19.7985 -18.4087 -18.4087 -18.3833 -18.3833 -12.6878 -12.6878 -12.6097 -12.6097 -9.1513 -9.1513 -9.1503 -9.1503 -5.6357 -5.6357 -5.2501 -5.2501 -5.0251 -5.0251 -4.5055 -4.5055 -4.4767 -4.4767 -4.3876 -4.3876 -2.5854 -2.5854 -2.4756 -2.4756 -2.1758 -2.1758 -2.1254 -2.1254 -2.0795 -2.0795 -1.8861 -1.8861 -1.6522 -1.6522 -1.5130 -1.5130 -0.9148 -0.9148 -0.9047 -0.9047 -0.8499 -0.8499 -0.8110 -0.8110 -0.7898 -0.7898 -0.6409 -0.6409 4.6286 4.6286 k =-0.3393 0.2239 0.8632 ( 6382 PWs) bands (ev): -19.8368 -19.8368 -19.7990 -19.7990 -18.4098 -18.4098 -18.3825 -18.3825 -12.6865 -12.6865 -12.6098 -12.6098 -9.1543 -9.1543 -9.1521 -9.1521 -5.6381 -5.6381 -5.2594 -5.2594 -5.0110 -5.0110 -4.5047 -4.5047 -4.4695 -4.4695 -4.3796 -4.3796 -2.5639 -2.5639 -2.4590 -2.4590 -2.1916 -2.1916 -2.1402 -2.1402 -2.1063 -2.1063 -1.8846 -1.8846 -1.6408 -1.6408 -1.5194 -1.5194 -0.9107 -0.9107 -0.9030 -0.9030 -0.8452 -0.8452 -0.8106 -0.8106 -0.8015 -0.8015 -0.6526 -0.6526 4.6365 4.6365 k =-0.3571 0.2357 0.8632 ( 6382 PWs) bands (ev): -19.8362 -19.8362 -19.7995 -19.7995 -18.4108 -18.4108 -18.3818 -18.3818 -12.6852 -12.6852 -12.6100 -12.6100 -9.1581 -9.1581 -9.1529 -9.1529 -5.6405 -5.6405 -5.2680 -5.2680 -4.9977 -4.9977 -4.5040 -4.5040 -4.4627 -4.4627 -4.3723 -4.3723 -2.5422 -2.5422 -2.4432 -2.4432 -2.2063 -2.2063 -2.1557 -2.1557 -2.1311 -2.1311 -1.8837 -1.8837 -1.6297 -1.6297 -1.5257 -1.5257 -0.9135 -0.9135 -0.8946 -0.8946 -0.8414 -0.8414 -0.8173 -0.8173 -0.8041 -0.8041 -0.6644 -0.6644 4.6438 4.6438 k =-0.3750 0.2475 0.8632 ( 6388 PWs) bands (ev): -19.8356 -19.8356 -19.8000 -19.8000 -18.4117 -18.4117 -18.3811 -18.3811 -12.6840 -12.6840 -12.6101 -12.6101 -9.1615 -9.1615 -9.1536 -9.1536 -5.6426 -5.6426 -5.2758 -5.2758 -4.9853 -4.9853 -4.5034 -4.5034 -4.4565 -4.4565 -4.3656 -4.3656 -2.5205 -2.5205 -2.4285 -2.4285 -2.2197 -2.2197 -2.1717 -2.1717 -2.1536 -2.1536 -1.8833 -1.8833 -1.6193 -1.6193 -1.5320 -1.5320 -0.9166 -0.9166 -0.8862 -0.8862 -0.8393 -0.8393 -0.8271 -0.8271 -0.8012 -0.8012 -0.6762 -0.6762 4.6505 4.6505 k =-0.3929 0.2593 0.8632 ( 6384 PWs) bands (ev): -19.8351 -19.8351 -19.8004 -19.8004 -18.4125 -18.4125 -18.3804 -18.3804 -12.6830 -12.6830 -12.6102 -12.6102 -9.1646 -9.1646 -9.1543 -9.1543 -5.6444 -5.6444 -5.2827 -5.2827 -4.9740 -4.9740 -4.5029 -4.5029 -4.4511 -4.4511 -4.3596 -4.3596 -2.4990 -2.4990 -2.4150 -2.4150 -2.2315 -2.2315 -2.1881 -2.1881 -2.1737 -2.1737 -1.8832 -1.8832 -1.6097 -1.6097 -1.5380 -1.5380 -0.9195 -0.9195 -0.8784 -0.8784 -0.8415 -0.8415 -0.8327 -0.8327 -0.7969 -0.7969 -0.6879 -0.6879 4.6565 4.6565 k =-0.4107 0.2711 0.8632 ( 6380 PWs) bands (ev): -19.8346 -19.8346 -19.8008 -19.8008 -18.4132 -18.4132 -18.3799 -18.3799 -12.6821 -12.6821 -12.6103 -12.6103 -9.1672 -9.1672 -9.1548 -9.1548 -5.6460 -5.6460 -5.2886 -5.2886 -4.9640 -4.9640 -4.5024 -4.5024 -4.4464 -4.4464 -4.3544 -4.3544 -2.4781 -2.4781 -2.4030 -2.4030 -2.2415 -2.2415 -2.2045 -2.2045 -2.1913 -2.1913 -1.8833 -1.8833 -1.6012 -1.6012 -1.5434 -1.5434 -0.9220 -0.9220 -0.8712 -0.8712 -0.8484 -0.8484 -0.8331 -0.8331 -0.7916 -0.7916 -0.6994 -0.6994 4.6617 4.6617 k =-0.4286 0.2828 0.8632 ( 6376 PWs) bands (ev): -19.8342 -19.8342 -19.8011 -19.8011 -18.4138 -18.4138 -18.3794 -18.3794 -12.6814 -12.6814 -12.6104 -12.6104 -9.1695 -9.1695 -9.1553 -9.1553 -5.6474 -5.6474 -5.2936 -5.2936 -4.9556 -4.9556 -4.5020 -4.5020 -4.4425 -4.4425 -4.3501 -4.3501 -2.4583 -2.4583 -2.3928 -2.3928 -2.2497 -2.2497 -2.2205 -2.2205 -2.2062 -2.2062 -1.8836 -1.8836 -1.5940 -1.5940 -1.5482 -1.5482 -0.9241 -0.9241 -0.8654 -0.8654 -0.8545 -0.8545 -0.8332 -0.8332 -0.7854 -0.7854 -0.7108 -0.7108 4.6660 4.6660 k =-0.4464 0.2946 0.8632 ( 6372 PWs) bands (ev): -19.8339 -19.8339 -19.8014 -19.8014 -18.4143 -18.4143 -18.3791 -18.3791 -12.6808 -12.6808 -12.6104 -12.6104 -9.1712 -9.1712 -9.1556 -9.1556 -5.6485 -5.6485 -5.2974 -5.2974 -4.9488 -4.9488 -4.5017 -4.5017 -4.4394 -4.4394 -4.3467 -4.3467 -2.4404 -2.4404 -2.3846 -2.3846 -2.2560 -2.2560 -2.2353 -2.2353 -2.2182 -2.2182 -1.8839 -1.8839 -1.5883 -1.5883 -1.5521 -1.5521 -0.9257 -0.9257 -0.8643 -0.8643 -0.8553 -0.8553 -0.8339 -0.8339 -0.7785 -0.7785 -0.7218 -0.7218 4.6694 4.6694 k =-0.4643 0.3064 0.8632 ( 6380 PWs) bands (ev): -19.8337 -19.8337 -19.8015 -19.8015 -18.4147 -18.4147 -18.3788 -18.3788 -12.6803 -12.6803 -12.6105 -12.6105 -9.1725 -9.1725 -9.1559 -9.1559 -5.6492 -5.6492 -5.3002 -5.3002 -4.9439 -4.9439 -4.5015 -4.5015 -4.4372 -4.4372 -4.3442 -4.3442 -2.4255 -2.4255 -2.3787 -2.3787 -2.2604 -2.2604 -2.2479 -2.2479 -2.2270 -2.2270 -1.8841 -1.8841 -1.5842 -1.5842 -1.5549 -1.5549 -0.9269 -0.9269 -0.8672 -0.8672 -0.8513 -0.8513 -0.8352 -0.8352 -0.7708 -0.7708 -0.7324 -0.7324 4.6719 4.6719 k =-0.4821 0.3182 0.8632 ( 6388 PWs) bands (ev): -19.8336 -19.8336 -19.8016 -19.8016 -18.4149 -18.4149 -18.3787 -18.3787 -12.6801 -12.6801 -12.6105 -12.6105 -9.1733 -9.1733 -9.1561 -9.1561 -5.6497 -5.6497 -5.3019 -5.3019 -4.9409 -4.9409 -4.5014 -4.5014 -4.4359 -4.4359 -4.3427 -4.3427 -2.4153 -2.4153 -2.3750 -2.3750 -2.2631 -2.2631 -2.2565 -2.2565 -2.2324 -2.2324 -1.8843 -1.8843 -1.5817 -1.5817 -1.5567 -1.5567 -0.9277 -0.9277 -0.8695 -0.8695 -0.8476 -0.8476 -0.8370 -0.8370 -0.7627 -0.7627 -0.7422 -0.7422 4.6734 4.6734 k =-0.5000 0.3300 0.8632 ( 6384 PWs) bands (ev): -19.8335 -19.8335 -19.8017 -19.8017 -18.4149 -18.4149 -18.3786 -18.3786 -12.6800 -12.6800 -12.6105 -12.6105 -9.1735 -9.1735 -9.1561 -9.1561 -5.6499 -5.6499 -5.3025 -5.3025 -4.9399 -4.9399 -4.5013 -4.5013 -4.4355 -4.4355 -4.3422 -4.3422 -2.4116 -2.4116 -2.3738 -2.3738 -2.2642 -2.2642 -2.2595 -2.2595 -2.2343 -2.2343 -1.8844 -1.8844 -1.5809 -1.5809 -1.5572 -1.5572 -0.9279 -0.9279 -0.8702 -0.8702 -0.8458 -0.8458 -0.8380 -0.8380 -0.7567 -0.7567 -0.7489 -0.7489 4.6739 4.6739 Writing output data file PH2NO2.save init_run : 0.38s CPU 0.55s WALL ( 1 calls) electrons : 265.50s CPU 269.40s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 265.49s CPU 269.39s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.06s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.11s WALL ( 346 calls) cegterg : 247.52s CPU 250.37s WALL ( 558 calls) Called by sum_band: Called by *egterg: h_psi : 124.74s CPU 126.67s WALL ( 9966 calls) s_psi : 9.90s CPU 9.95s WALL ( 9966 calls) g_psi : 0.48s CPU 0.45s WALL ( 9062 calls) cdiaghg : 91.40s CPU 92.80s WALL ( 9408 calls) cegterg:over : 12.46s CPU 12.41s WALL ( 9062 calls) cegterg:upda : 13.08s CPU 12.96s WALL ( 9062 calls) cegterg:last : 5.30s CPU 5.26s WALL ( 1364 calls) cdiaghg:chol : 5.33s CPU 5.35s WALL ( 9408 calls) cdiaghg:inve : 3.69s CPU 3.79s WALL ( 9408 calls) cdiaghg:para : 6.15s CPU 6.25s WALL ( 18816 calls) Called by h_psi: h_psi:vloc : 105.94s CPU 107.59s WALL ( 9966 calls) h_psi:vnl : 18.33s CPU 18.59s WALL ( 9966 calls) add_vuspsi : 8.84s CPU 8.83s WALL ( 9966 calls) General routines calbec : 9.45s CPU 9.73s WALL ( 9966 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 97.18s CPU 98.40s WALL ( 1011640 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.25s CPU 0.64s WALL ( 692 calls) Parallel routines fft_scatter : 36.45s CPU 37.10s WALL ( 1011663 calls) PWSCF : 4m49.34s CPU 5m 8.11s WALL This run was terminated on: 19:17:18 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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