Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:19:48 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: ./CuAgS.save/ file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized 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 25 19 5 1243 846 133 Max 27 20 6 1249 870 142 Sum 913 703 207 44849 30751 4973 bravais-lattice index = 14 lattice parameter (alat) = 7.3699 a.u. unit-cell volume = 728.9765 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 237.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.369883 celldm(2)= 1.000000 celldm(3)= 2.048731 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.458126 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.458126 0.888887 0.000000 ) a(3) = ( 0.000000 0.000000 2.048731 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.515392 -0.000000 ) b(2) = ( 0.000000 1.125002 -0.000000 ) b(3) = ( 0.000000 0.000000 0.488107 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 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 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 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 S 6.00 32.06500 S( 1.00) Cu 11.00 63.54600 Cu( 1.00) Ag 11.00 107.86820 Ag( 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= 402 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 2) = ( 0.0063501 0.0104167 -0.0000000), wk = 0.0024876 k( 3) = ( 0.0127002 0.0208334 -0.0000000), wk = 0.0024876 k( 4) = ( 0.0190503 0.0312500 -0.0000000), wk = 0.0024876 k( 5) = ( 0.0254004 0.0416667 -0.0000000), wk = 0.0024876 k( 6) = ( 0.0317506 0.0520834 -0.0000000), wk = 0.0024876 k( 7) = ( 0.0381007 0.0625001 -0.0000000), wk = 0.0024876 k( 8) = ( 0.0444508 0.0729168 -0.0000000), wk = 0.0024876 k( 9) = ( 0.0508009 0.0833335 -0.0000000), wk = 0.0024876 k( 10) = ( 0.0571510 0.0937501 -0.0000000), wk = 0.0024876 k( 11) = ( 0.0635011 0.1041668 -0.0000000), wk = 0.0024876 k( 12) = ( 0.0698512 0.1145835 -0.0000000), wk = 0.0024876 k( 13) = ( 0.0762013 0.1250002 -0.0000000), wk = 0.0024876 k( 14) = ( 0.0825514 0.1354169 -0.0000000), wk = 0.0024876 k( 15) = ( 0.0889015 0.1458336 -0.0000000), wk = 0.0024876 k( 16) = ( 0.0952517 0.1562503 -0.0000000), wk = 0.0024876 k( 17) = ( 0.1016018 0.1666669 -0.0000000), wk = 0.0024876 k( 18) = ( 0.1079519 0.1770836 -0.0000000), wk = 0.0024876 k( 19) = ( 0.1143020 0.1875003 -0.0000000), wk = 0.0024876 k( 20) = ( 0.1206521 0.1979170 -0.0000000), wk = 0.0024876 k( 21) = ( 0.1270022 0.2083337 -0.0000000), wk = 0.0024876 k( 22) = ( 0.1333523 0.2187504 -0.0000000), wk = 0.0024876 k( 23) = ( 0.1397024 0.2291670 -0.0000000), wk = 0.0024876 k( 24) = ( 0.1460525 0.2395837 -0.0000000), wk = 0.0024876 k( 25) = ( 0.1524027 0.2500004 -0.0000000), wk = 0.0024876 k( 26) = ( 0.1587528 0.2604171 -0.0000000), wk = 0.0024876 k( 27) = ( 0.1651029 0.2708338 -0.0000000), wk = 0.0024876 k( 28) = ( 0.1714530 0.2812505 -0.0000000), wk = 0.0024876 k( 29) = ( 0.1778031 0.2916672 -0.0000000), wk = 0.0024876 k( 30) = ( 0.1841532 0.3020838 -0.0000000), wk = 0.0024876 k( 31) = ( 0.1905033 0.3125005 -0.0000000), wk = 0.0024876 k( 32) = ( 0.1968534 0.3229172 -0.0000000), wk = 0.0024876 k( 33) = ( 0.2032035 0.3333339 -0.0000000), wk = 0.0024876 k( 34) = ( 0.2095537 0.3437506 -0.0000000), wk = 0.0024876 k( 35) = ( 0.2159038 0.3541673 -0.0000000), wk = 0.0024876 k( 36) = ( 0.2222539 0.3645839 -0.0000000), wk = 0.0024876 k( 37) = ( 0.2286040 0.3750006 -0.0000000), wk = 0.0024876 k( 38) = ( 0.2349541 0.3854173 -0.0000000), wk = 0.0024876 k( 39) = ( 0.2413042 0.3958340 -0.0000000), wk = 0.0024876 k( 40) = ( 0.2476543 0.4062507 -0.0000000), wk = 0.0024876 k( 41) = ( 0.2540044 0.4166673 -0.0000000), wk = 0.0024876 k( 42) = ( 0.2603545 0.4270840 -0.0000000), wk = 0.0024876 k( 43) = ( 0.2667046 0.4375007 -0.0000000), wk = 0.0024876 k( 44) = ( 0.2730548 0.4479174 -0.0000000), wk = 0.0024876 k( 45) = ( 0.2794049 0.4583341 -0.0000000), wk = 0.0024876 k( 46) = ( 0.2857550 0.4687508 -0.0000000), wk = 0.0024876 k( 47) = ( 0.2921051 0.4791674 -0.0000000), wk = 0.0024876 k( 48) = ( 0.2984552 0.4895841 -0.0000000), wk = 0.0024876 k( 49) = ( 0.3048053 0.5000008 -0.0000000), wk = 0.0024876 k( 50) = ( 0.3111554 0.5104175 -0.0000000), wk = 0.0024876 k( 51) = ( 0.3175055 0.5208342 -0.0000000), wk = 0.0024876 k( 52) = ( 0.3238556 0.5312509 -0.0000000), wk = 0.0024876 k( 53) = ( 0.3302058 0.5416676 -0.0000000), wk = 0.0024876 k( 54) = ( 0.3365559 0.5520842 -0.0000000), wk = 0.0024876 k( 55) = ( 0.3429060 0.5625009 -0.0000000), wk = 0.0024876 k( 56) = ( 0.3429060 0.5625009 -0.0000000), wk = 0.0024876 k( 57) = ( 0.3306593 0.5625009 -0.0000000), wk = 0.0024876 k( 58) = ( 0.3184127 0.5625009 -0.0000000), wk = 0.0024876 k( 59) = ( 0.3061660 0.5625009 -0.0000000), wk = 0.0024876 k( 60) = ( 0.2939194 0.5625009 -0.0000000), wk = 0.0024876 k( 61) = ( 0.2816728 0.5625009 -0.0000000), wk = 0.0024876 k( 62) = ( 0.2694261 0.5625009 -0.0000000), wk = 0.0024876 k( 63) = ( 0.2571795 0.5625009 -0.0000000), wk = 0.0024876 k( 64) = ( 0.2449328 0.5625009 -0.0000000), wk = 0.0024876 k( 65) = ( 0.2326862 0.5625009 -0.0000000), wk = 0.0024876 k( 66) = ( 0.2204396 0.5625009 -0.0000000), wk = 0.0024876 k( 67) = ( 0.2081929 0.5625009 -0.0000000), wk = 0.0024876 k( 68) = ( 0.1959463 0.5625009 -0.0000000), wk = 0.0024876 k( 69) = ( 0.1836996 0.5625009 -0.0000000), wk = 0.0024876 k( 70) = ( 0.1714530 0.5625009 -0.0000000), wk = 0.0024876 k( 71) = ( 0.1592063 0.5625009 -0.0000000), wk = 0.0024876 k( 72) = ( 0.1469597 0.5625009 -0.0000000), wk = 0.0024876 k( 73) = ( 0.1347131 0.5625009 -0.0000000), wk = 0.0024876 k( 74) = ( 0.1224664 0.5625009 -0.0000000), wk = 0.0024876 k( 75) = ( 0.1102198 0.5625009 -0.0000000), wk = 0.0024876 k( 76) = ( 0.0979731 0.5625009 -0.0000000), wk = 0.0024876 k( 77) = ( 0.0857265 0.5625009 -0.0000000), wk = 0.0024876 k( 78) = ( 0.0734798 0.5625009 -0.0000000), wk = 0.0024876 k( 79) = ( 0.0612332 0.5625009 -0.0000000), wk = 0.0024876 k( 80) = ( 0.0489866 0.5625009 -0.0000000), wk = 0.0024876 k( 81) = ( 0.0367399 0.5625009 -0.0000000), wk = 0.0024876 k( 82) = ( 0.0244933 0.5625009 -0.0000000), wk = 0.0024876 k( 83) = ( 0.0122466 0.5625009 -0.0000000), wk = 0.0024876 k( 84) = ( 0.0000000 0.5625009 -0.0000000), wk = 0.0024876 k( 85) = ( 0.0000000 0.5625009 -0.0000000), wk = 0.0024876 k( 86) = ( 0.0000000 0.5625009 0.0122027), wk = 0.0024876 k( 87) = ( 0.0000000 0.5625009 0.0244053), wk = 0.0024876 k( 88) = ( 0.0000000 0.5625009 0.0366080), wk = 0.0024876 k( 89) = ( 0.0000000 0.5625009 0.0488107), wk = 0.0024876 k( 90) = ( 0.0000000 0.5625009 0.0610134), wk = 0.0024876 k( 91) = ( 0.0000000 0.5625009 0.0732160), wk = 0.0024876 k( 92) = ( 0.0000000 0.5625009 0.0854187), wk = 0.0024876 k( 93) = ( 0.0000000 0.5625009 0.0976214), wk = 0.0024876 k( 94) = ( 0.0000000 0.5625009 0.1098241), wk = 0.0024876 k( 95) = ( 0.0000000 0.5625009 0.1220267), wk = 0.0024876 k( 96) = ( 0.0000000 0.5625009 0.1342294), wk = 0.0024876 k( 97) = ( 0.0000000 0.5625009 0.1464321), wk = 0.0024876 k( 98) = ( 0.0000000 0.5625009 0.1586348), wk = 0.0024876 k( 99) = ( 0.0000000 0.5625009 0.1708374), wk = 0.0024876 k( 100) = ( 0.0000000 0.5625009 0.1830401), wk = 0.0024876 k( 101) = ( 0.0000000 0.5625009 0.1952428), wk = 0.0024876 k( 102) = ( 0.0000000 0.5625009 0.2074454), wk = 0.0024876 k( 103) = ( 0.0000000 0.5625009 0.2196481), wk = 0.0024876 k( 104) = ( 0.0000000 0.5625009 0.2318508), wk = 0.0024876 k( 105) = ( 0.0000000 0.5625009 0.2440535), wk = 0.0024876 k( 106) = ( 0.0000000 0.5625009 0.2440535), wk = 0.0024876 k( 107) = ( 0.0122466 0.5625009 0.2440535), wk = 0.0024876 k( 108) = ( 0.0244933 0.5625009 0.2440535), wk = 0.0024876 k( 109) = ( 0.0367399 0.5625009 0.2440535), wk = 0.0024876 k( 110) = ( 0.0489866 0.5625009 0.2440535), wk = 0.0024876 k( 111) = ( 0.0612332 0.5625009 0.2440535), wk = 0.0024876 k( 112) = ( 0.0734798 0.5625009 0.2440535), wk = 0.0024876 k( 113) = ( 0.0857265 0.5625009 0.2440535), wk = 0.0024876 k( 114) = ( 0.0979731 0.5625009 0.2440535), wk = 0.0024876 k( 115) = ( 0.1102198 0.5625009 0.2440535), wk = 0.0024876 k( 116) = ( 0.1224664 0.5625009 0.2440535), wk = 0.0024876 k( 117) = ( 0.1347131 0.5625009 0.2440535), wk = 0.0024876 k( 118) = ( 0.1469597 0.5625009 0.2440535), wk = 0.0024876 k( 119) = ( 0.1592063 0.5625009 0.2440535), wk = 0.0024876 k( 120) = ( 0.1714530 0.5625009 0.2440535), wk = 0.0024876 k( 121) = ( 0.1836996 0.5625009 0.2440535), wk = 0.0024876 k( 122) = ( 0.1959463 0.5625009 0.2440535), wk = 0.0024876 k( 123) = ( 0.2081929 0.5625009 0.2440535), wk = 0.0024876 k( 124) = ( 0.2204396 0.5625009 0.2440535), wk = 0.0024876 k( 125) = ( 0.2326862 0.5625009 0.2440535), wk = 0.0024876 k( 126) = ( 0.2449328 0.5625009 0.2440535), wk = 0.0024876 k( 127) = ( 0.2571795 0.5625009 0.2440535), wk = 0.0024876 k( 128) = ( 0.2694261 0.5625009 0.2440535), wk = 0.0024876 k( 129) = ( 0.2816728 0.5625009 0.2440535), wk = 0.0024876 k( 130) = ( 0.2939194 0.5625009 0.2440535), wk = 0.0024876 k( 131) = ( 0.3061660 0.5625009 0.2440535), wk = 0.0024876 k( 132) = ( 0.3184127 0.5625009 0.2440535), wk = 0.0024876 k( 133) = ( 0.3306593 0.5625009 0.2440535), wk = 0.0024876 k( 134) = ( 0.3429060 0.5625009 0.2440535), wk = 0.0024876 k( 135) = ( 0.3429060 0.5625009 0.2440535), wk = 0.0024876 k( 136) = ( 0.3365559 0.5520842 0.2440535), wk = 0.0024876 k( 137) = ( 0.3302058 0.5416676 0.2440535), wk = 0.0024876 k( 138) = ( 0.3238556 0.5312509 0.2440535), wk = 0.0024876 k( 139) = ( 0.3175055 0.5208342 0.2440535), wk = 0.0024876 k( 140) = ( 0.3111554 0.5104175 0.2440535), wk = 0.0024876 k( 141) = ( 0.3048053 0.5000008 0.2440535), wk = 0.0024876 k( 142) = ( 0.2984552 0.4895841 0.2440535), wk = 0.0024876 k( 143) = ( 0.2921051 0.4791674 0.2440535), wk = 0.0024876 k( 144) = ( 0.2857550 0.4687508 0.2440535), wk = 0.0024876 k( 145) = ( 0.2794049 0.4583341 0.2440535), wk = 0.0024876 k( 146) = ( 0.2730548 0.4479174 0.2440535), wk = 0.0024876 k( 147) = ( 0.2667046 0.4375007 0.2440535), wk = 0.0024876 k( 148) = ( 0.2603545 0.4270840 0.2440535), wk = 0.0024876 k( 149) = ( 0.2540044 0.4166673 0.2440535), wk = 0.0024876 k( 150) = ( 0.2476543 0.4062507 0.2440535), wk = 0.0024876 k( 151) = ( 0.2413042 0.3958340 0.2440535), wk = 0.0024876 k( 152) = ( 0.2349541 0.3854173 0.2440535), wk = 0.0024876 k( 153) = ( 0.2286040 0.3750006 0.2440535), wk = 0.0024876 k( 154) = ( 0.2222539 0.3645839 0.2440535), wk = 0.0024876 k( 155) = ( 0.2159038 0.3541673 0.2440535), wk = 0.0024876 k( 156) = ( 0.2095537 0.3437506 0.2440535), wk = 0.0024876 k( 157) = ( 0.2032035 0.3333339 0.2440535), wk = 0.0024876 k( 158) = ( 0.1968534 0.3229172 0.2440535), wk = 0.0024876 k( 159) = ( 0.1905033 0.3125005 0.2440535), wk = 0.0024876 k( 160) = ( 0.1841532 0.3020838 0.2440535), wk = 0.0024876 k( 161) = ( 0.1778031 0.2916672 0.2440535), wk = 0.0024876 k( 162) = ( 0.1714530 0.2812505 0.2440535), wk = 0.0024876 k( 163) = ( 0.1651029 0.2708338 0.2440535), wk = 0.0024876 k( 164) = ( 0.1587528 0.2604171 0.2440535), wk = 0.0024876 k( 165) = ( 0.1524027 0.2500004 0.2440535), wk = 0.0024876 k( 166) = ( 0.1460525 0.2395837 0.2440535), wk = 0.0024876 k( 167) = ( 0.1397024 0.2291670 0.2440535), wk = 0.0024876 k( 168) = ( 0.1333523 0.2187504 0.2440535), wk = 0.0024876 k( 169) = ( 0.1270022 0.2083337 0.2440535), wk = 0.0024876 k( 170) = ( 0.1206521 0.1979170 0.2440535), wk = 0.0024876 k( 171) = ( 0.1143020 0.1875003 0.2440535), wk = 0.0024876 k( 172) = ( 0.1079519 0.1770836 0.2440535), wk = 0.0024876 k( 173) = ( 0.1016018 0.1666669 0.2440535), wk = 0.0024876 k( 174) = ( 0.0952517 0.1562503 0.2440535), wk = 0.0024876 k( 175) = ( 0.0889015 0.1458336 0.2440535), wk = 0.0024876 k( 176) = ( 0.0825514 0.1354169 0.2440535), wk = 0.0024876 k( 177) = ( 0.0762013 0.1250002 0.2440535), wk = 0.0024876 k( 178) = ( 0.0698512 0.1145835 0.2440535), wk = 0.0024876 k( 179) = ( 0.0635011 0.1041668 0.2440535), wk = 0.0024876 k( 180) = ( 0.0571510 0.0937501 0.2440535), wk = 0.0024876 k( 181) = ( 0.0508009 0.0833335 0.2440535), wk = 0.0024876 k( 182) = ( 0.0444508 0.0729168 0.2440535), wk = 0.0024876 k( 183) = ( 0.0381007 0.0625001 0.2440535), wk = 0.0024876 k( 184) = ( 0.0317506 0.0520834 0.2440535), wk = 0.0024876 k( 185) = ( 0.0254004 0.0416667 0.2440535), wk = 0.0024876 k( 186) = ( 0.0190503 0.0312500 0.2440535), wk = 0.0024876 k( 187) = ( 0.0127002 0.0208334 0.2440535), wk = 0.0024876 k( 188) = ( 0.0063501 0.0104167 0.2440535), wk = 0.0024876 k( 189) = ( 0.0000000 0.0000000 0.2440535), wk = 0.0024876 k( 190) = ( 0.0000000 0.0000000 0.2440535), wk = 0.0024876 k( 191) = ( 0.0000000 0.0000000 0.2318508), wk = 0.0024876 k( 192) = ( 0.0000000 0.0000000 0.2196481), wk = 0.0024876 k( 193) = ( 0.0000000 0.0000000 0.2074454), wk = 0.0024876 k( 194) = ( 0.0000000 0.0000000 0.1952428), wk = 0.0024876 k( 195) = ( 0.0000000 0.0000000 0.1830401), wk = 0.0024876 k( 196) = ( 0.0000000 0.0000000 0.1708374), wk = 0.0024876 k( 197) = ( 0.0000000 0.0000000 0.1586348), wk = 0.0024876 k( 198) = ( 0.0000000 0.0000000 0.1464321), wk = 0.0024876 k( 199) = ( 0.0000000 0.0000000 0.1342294), wk = 0.0024876 k( 200) = ( 0.0000000 0.0000000 0.1220267), wk = 0.0024876 k( 201) = ( 0.0000000 0.0000000 0.1098241), wk = 0.0024876 k( 202) = ( 0.0000000 0.0000000 0.0976214), wk = 0.0024876 k( 203) = ( 0.0000000 0.0000000 0.0854187), wk = 0.0024876 k( 204) = ( 0.0000000 0.0000000 0.0732160), wk = 0.0024876 k( 205) = ( 0.0000000 0.0000000 0.0610134), wk = 0.0024876 k( 206) = ( 0.0000000 0.0000000 0.0488107), wk = 0.0024876 k( 207) = ( 0.0000000 0.0000000 0.0366080), wk = 0.0024876 k( 208) = ( 0.0000000 0.0000000 0.0244053), wk = 0.0024876 k( 209) = ( 0.0000000 0.0000000 0.0122027), wk = 0.0024876 k( 210) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 211) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 212) = ( -0.0104167 0.0063501 0.0000000), wk = 0.0024876 k( 213) = ( -0.0208333 0.0127002 0.0000000), wk = 0.0024876 k( 214) = ( -0.0312500 0.0190503 0.0000000), wk = 0.0024876 k( 215) = ( -0.0416667 0.0254004 0.0000000), wk = 0.0024876 k( 216) = ( -0.0520833 0.0317505 0.0000000), wk = 0.0024876 k( 217) = ( -0.0625000 0.0381006 0.0000000), wk = 0.0024876 k( 218) = ( -0.0729167 0.0444507 0.0000000), wk = 0.0024876 k( 219) = ( -0.0833333 0.0508008 0.0000000), wk = 0.0024876 k( 220) = ( -0.0937500 0.0571509 0.0000000), wk = 0.0024876 k( 221) = ( -0.1041667 0.0635010 0.0000000), wk = 0.0024876 k( 222) = ( -0.1145833 0.0698511 0.0000000), wk = 0.0024876 k( 223) = ( -0.1250000 0.0762012 0.0000000), wk = 0.0024876 k( 224) = ( -0.1354167 0.0825513 0.0000000), wk = 0.0024876 k( 225) = ( -0.1458333 0.0889014 0.0000000), wk = 0.0024876 k( 226) = ( -0.1562500 0.0952515 0.0000000), wk = 0.0024876 k( 227) = ( -0.1666667 0.1016016 0.0000000), wk = 0.0024876 k( 228) = ( -0.1770833 0.1079517 0.0000000), wk = 0.0024876 k( 229) = ( -0.1875000 0.1143018 0.0000000), wk = 0.0024876 k( 230) = ( -0.1979167 0.1206519 0.0000000), wk = 0.0024876 k( 231) = ( -0.2083333 0.1270020 0.0000000), wk = 0.0024876 k( 232) = ( -0.2187500 0.1333521 0.0000000), wk = 0.0024876 k( 233) = ( -0.2291667 0.1397022 0.0000000), wk = 0.0024876 k( 234) = ( -0.2395833 0.1460523 0.0000000), wk = 0.0024876 k( 235) = ( -0.2500000 0.1524024 0.0000000), wk = 0.0024876 k( 236) = ( -0.2604167 0.1587525 0.0000000), wk = 0.0024876 k( 237) = ( -0.2708333 0.1651026 0.0000000), wk = 0.0024876 k( 238) = ( -0.2812500 0.1714527 0.0000000), wk = 0.0024876 k( 239) = ( -0.2916667 0.1778028 0.0000000), wk = 0.0024876 k( 240) = ( -0.3020833 0.1841529 0.0000000), wk = 0.0024876 k( 241) = ( -0.3125000 0.1905030 0.0000000), wk = 0.0024876 k( 242) = ( -0.3229167 0.1968531 0.0000000), wk = 0.0024876 k( 243) = ( -0.3333333 0.2032032 0.0000000), wk = 0.0024876 k( 244) = ( -0.3437500 0.2095533 0.0000000), wk = 0.0024876 k( 245) = ( -0.3541667 0.2159034 0.0000000), wk = 0.0024876 k( 246) = ( -0.3645833 0.2222535 0.0000000), wk = 0.0024876 k( 247) = ( -0.3750000 0.2286036 0.0000000), wk = 0.0024876 k( 248) = ( -0.3854167 0.2349537 0.0000000), wk = 0.0024876 k( 249) = ( -0.3958333 0.2413038 0.0000000), wk = 0.0024876 k( 250) = ( -0.4062500 0.2476539 0.0000000), wk = 0.0024876 k( 251) = ( -0.4166667 0.2540040 0.0000000), wk = 0.0024876 k( 252) = ( -0.4270833 0.2603541 0.0000000), wk = 0.0024876 k( 253) = ( -0.4375000 0.2667042 0.0000000), wk = 0.0024876 k( 254) = ( -0.4479167 0.2730543 0.0000000), wk = 0.0024876 k( 255) = ( -0.4583333 0.2794044 0.0000000), wk = 0.0024876 k( 256) = ( -0.4687500 0.2857545 0.0000000), wk = 0.0024876 k( 257) = ( -0.4791667 0.2921046 0.0000000), wk = 0.0024876 k( 258) = ( -0.4895833 0.2984547 0.0000000), wk = 0.0024876 k( 259) = ( -0.5000000 0.3048048 0.0000000), wk = 0.0024876 k( 260) = ( -0.5000000 0.3048048 0.0000000), wk = 0.0024876 k( 261) = ( -0.4937162 0.3151126 -0.0000000), wk = 0.0024876 k( 262) = ( -0.4874325 0.3254205 -0.0000000), wk = 0.0024876 k( 263) = ( -0.4811487 0.3357283 -0.0000000), wk = 0.0024876 k( 264) = ( -0.4748650 0.3460362 -0.0000000), wk = 0.0024876 k( 265) = ( -0.4685812 0.3563440 -0.0000000), wk = 0.0024876 k( 266) = ( -0.4622974 0.3666519 -0.0000000), wk = 0.0024876 k( 267) = ( -0.4560137 0.3769597 -0.0000000), wk = 0.0024876 k( 268) = ( -0.4497299 0.3872676 -0.0000000), wk = 0.0024876 k( 269) = ( -0.4434461 0.3975754 -0.0000000), wk = 0.0024876 k( 270) = ( -0.4371624 0.4078832 -0.0000000), wk = 0.0024876 k( 271) = ( -0.4308786 0.4181911 -0.0000000), wk = 0.0024876 k( 272) = ( -0.4245949 0.4284989 -0.0000000), wk = 0.0024876 k( 273) = ( -0.4183111 0.4388068 -0.0000000), wk = 0.0024876 k( 274) = ( -0.4120273 0.4491146 -0.0000000), wk = 0.0024876 k( 275) = ( -0.4057436 0.4594225 -0.0000000), wk = 0.0024876 k( 276) = ( -0.3994598 0.4697303 -0.0000000), wk = 0.0024876 k( 277) = ( -0.3931761 0.4800382 -0.0000000), wk = 0.0024876 k( 278) = ( -0.3868923 0.4903460 -0.0000000), wk = 0.0024876 k( 279) = ( -0.3806085 0.5006539 -0.0000000), wk = 0.0024876 k( 280) = ( -0.3743248 0.5109617 -0.0000000), wk = 0.0024876 k( 281) = ( -0.3680410 0.5212696 -0.0000000), wk = 0.0024876 k( 282) = ( -0.3617572 0.5315774 -0.0000000), wk = 0.0024876 k( 283) = ( -0.3554735 0.5418852 -0.0000000), wk = 0.0024876 k( 284) = ( -0.3491897 0.5521931 -0.0000000), wk = 0.0024876 k( 285) = ( -0.3429060 0.5625009 -0.0000000), wk = 0.0024876 k( 286) = ( -0.3429060 0.5625009 -0.0000000), wk = 0.0024876 k( 287) = ( -0.3429060 0.5625009 0.0122027), wk = 0.0024876 k( 288) = ( -0.3429060 0.5625009 0.0244053), wk = 0.0024876 k( 289) = ( -0.3429060 0.5625009 0.0366080), wk = 0.0024876 k( 290) = ( -0.3429060 0.5625009 0.0488107), wk = 0.0024876 k( 291) = ( -0.3429060 0.5625009 0.0610134), wk = 0.0024876 k( 292) = ( -0.3429060 0.5625009 0.0732160), wk = 0.0024876 k( 293) = ( -0.3429060 0.5625009 0.0854187), wk = 0.0024876 k( 294) = ( -0.3429060 0.5625009 0.0976214), wk = 0.0024876 k( 295) = ( -0.3429060 0.5625009 0.1098241), wk = 0.0024876 k( 296) = ( -0.3429060 0.5625009 0.1220267), wk = 0.0024876 k( 297) = ( -0.3429060 0.5625009 0.1342294), wk = 0.0024876 k( 298) = ( -0.3429060 0.5625009 0.1464321), wk = 0.0024876 k( 299) = ( -0.3429060 0.5625009 0.1586348), wk = 0.0024876 k( 300) = ( -0.3429060 0.5625009 0.1708374), wk = 0.0024876 k( 301) = ( -0.3429060 0.5625009 0.1830401), wk = 0.0024876 k( 302) = ( -0.3429060 0.5625009 0.1952428), wk = 0.0024876 k( 303) = ( -0.3429060 0.5625009 0.2074454), wk = 0.0024876 k( 304) = ( -0.3429060 0.5625009 0.2196481), wk = 0.0024876 k( 305) = ( -0.3429060 0.5625009 0.2318508), wk = 0.0024876 k( 306) = ( -0.3429060 0.5625009 0.2440535), wk = 0.0024876 k( 307) = ( -0.3429060 0.5625009 0.2440535), wk = 0.0024876 k( 308) = ( -0.3491897 0.5521931 0.2440535), wk = 0.0024876 k( 309) = ( -0.3554735 0.5418852 0.2440535), wk = 0.0024876 k( 310) = ( -0.3617572 0.5315774 0.2440535), wk = 0.0024876 k( 311) = ( -0.3680410 0.5212696 0.2440535), wk = 0.0024876 k( 312) = ( -0.3743248 0.5109617 0.2440535), wk = 0.0024876 k( 313) = ( -0.3806085 0.5006539 0.2440535), wk = 0.0024876 k( 314) = ( -0.3868923 0.4903460 0.2440535), wk = 0.0024876 k( 315) = ( -0.3931761 0.4800382 0.2440535), wk = 0.0024876 k( 316) = ( -0.3994598 0.4697303 0.2440535), wk = 0.0024876 k( 317) = ( -0.4057436 0.4594225 0.2440535), wk = 0.0024876 k( 318) = ( -0.4120273 0.4491146 0.2440535), wk = 0.0024876 k( 319) = ( -0.4183111 0.4388068 0.2440535), wk = 0.0024876 k( 320) = ( -0.4245949 0.4284989 0.2440535), wk = 0.0024876 k( 321) = ( -0.4308786 0.4181911 0.2440535), wk = 0.0024876 k( 322) = ( -0.4371624 0.4078832 0.2440535), wk = 0.0024876 k( 323) = ( -0.4434461 0.3975754 0.2440535), wk = 0.0024876 k( 324) = ( -0.4497299 0.3872676 0.2440535), wk = 0.0024876 k( 325) = ( -0.4560137 0.3769597 0.2440535), wk = 0.0024876 k( 326) = ( -0.4622974 0.3666519 0.2440535), wk = 0.0024876 k( 327) = ( -0.4685812 0.3563440 0.2440535), wk = 0.0024876 k( 328) = ( -0.4748650 0.3460362 0.2440535), wk = 0.0024876 k( 329) = ( -0.4811487 0.3357283 0.2440535), wk = 0.0024876 k( 330) = ( -0.4874325 0.3254205 0.2440535), wk = 0.0024876 k( 331) = ( -0.4937162 0.3151126 0.2440535), wk = 0.0024876 k( 332) = ( -0.5000000 0.3048048 0.2440535), wk = 0.0024876 k( 333) = ( -0.5000000 0.3048048 0.2440535), wk = 0.0024876 k( 334) = ( -0.5000000 0.3048048 0.2318508), wk = 0.0024876 k( 335) = ( -0.5000000 0.3048048 0.2196481), wk = 0.0024876 k( 336) = ( -0.5000000 0.3048048 0.2074454), wk = 0.0024876 k( 337) = ( -0.5000000 0.3048048 0.1952428), wk = 0.0024876 k( 338) = ( -0.5000000 0.3048048 0.1830401), wk = 0.0024876 k( 339) = ( -0.5000000 0.3048048 0.1708374), wk = 0.0024876 k( 340) = ( -0.5000000 0.3048048 0.1586348), wk = 0.0024876 k( 341) = ( -0.5000000 0.3048048 0.1464321), wk = 0.0024876 k( 342) = ( -0.5000000 0.3048048 0.1342294), wk = 0.0024876 k( 343) = ( -0.5000000 0.3048048 0.1220267), wk = 0.0024876 k( 344) = ( -0.5000000 0.3048048 0.1098241), wk = 0.0024876 k( 345) = ( -0.5000000 0.3048048 0.0976214), wk = 0.0024876 k( 346) = ( -0.5000000 0.3048048 0.0854187), wk = 0.0024876 k( 347) = ( -0.5000000 0.3048048 0.0732160), wk = 0.0024876 k( 348) = ( -0.5000000 0.3048048 0.0610134), wk = 0.0024876 k( 349) = ( -0.5000000 0.3048048 0.0488107), wk = 0.0024876 k( 350) = ( -0.5000000 0.3048048 0.0366080), wk = 0.0024876 k( 351) = ( -0.5000000 0.3048048 0.0244053), wk = 0.0024876 k( 352) = ( -0.5000000 0.3048048 0.0122027), wk = 0.0024876 k( 353) = ( -0.5000000 0.3048048 0.0000000), wk = 0.0024876 k( 354) = ( 0.0000000 0.0000000 0.2440535), wk = 0.0024876 k( 355) = ( -0.0104167 0.0063501 0.2440535), wk = 0.0024876 k( 356) = ( -0.0208333 0.0127002 0.2440535), wk = 0.0024876 k( 357) = ( -0.0312500 0.0190503 0.2440535), wk = 0.0024876 k( 358) = ( -0.0416667 0.0254004 0.2440535), wk = 0.0024876 k( 359) = ( -0.0520833 0.0317505 0.2440535), wk = 0.0024876 k( 360) = ( -0.0625000 0.0381006 0.2440535), wk = 0.0024876 k( 361) = ( -0.0729167 0.0444507 0.2440535), wk = 0.0024876 k( 362) = ( -0.0833333 0.0508008 0.2440535), wk = 0.0024876 k( 363) = ( -0.0937500 0.0571509 0.2440535), wk = 0.0024876 k( 364) = ( -0.1041667 0.0635010 0.2440535), wk = 0.0024876 k( 365) = ( -0.1145833 0.0698511 0.2440535), wk = 0.0024876 k( 366) = ( -0.1250000 0.0762012 0.2440535), wk = 0.0024876 k( 367) = ( -0.1354167 0.0825513 0.2440535), wk = 0.0024876 k( 368) = ( -0.1458333 0.0889014 0.2440535), wk = 0.0024876 k( 369) = ( -0.1562500 0.0952515 0.2440535), wk = 0.0024876 k( 370) = ( -0.1666667 0.1016016 0.2440535), wk = 0.0024876 k( 371) = ( -0.1770833 0.1079517 0.2440535), wk = 0.0024876 k( 372) = ( -0.1875000 0.1143018 0.2440535), wk = 0.0024876 k( 373) = ( -0.1979167 0.1206519 0.2440535), wk = 0.0024876 k( 374) = ( -0.2083333 0.1270020 0.2440535), wk = 0.0024876 k( 375) = ( -0.2187500 0.1333521 0.2440535), wk = 0.0024876 k( 376) = ( -0.2291667 0.1397022 0.2440535), wk = 0.0024876 k( 377) = ( -0.2395833 0.1460523 0.2440535), wk = 0.0024876 k( 378) = ( -0.2500000 0.1524024 0.2440535), wk = 0.0024876 k( 379) = ( -0.2604167 0.1587525 0.2440535), wk = 0.0024876 k( 380) = ( -0.2708333 0.1651026 0.2440535), wk = 0.0024876 k( 381) = ( -0.2812500 0.1714527 0.2440535), wk = 0.0024876 k( 382) = ( -0.2916667 0.1778028 0.2440535), wk = 0.0024876 k( 383) = ( -0.3020833 0.1841529 0.2440535), wk = 0.0024876 k( 384) = ( -0.3125000 0.1905030 0.2440535), wk = 0.0024876 k( 385) = ( -0.3229167 0.1968531 0.2440535), wk = 0.0024876 k( 386) = ( -0.3333333 0.2032032 0.2440535), wk = 0.0024876 k( 387) = ( -0.3437500 0.2095533 0.2440535), wk = 0.0024876 k( 388) = ( -0.3541667 0.2159034 0.2440535), wk = 0.0024876 k( 389) = ( -0.3645833 0.2222535 0.2440535), wk = 0.0024876 k( 390) = ( -0.3750000 0.2286036 0.2440535), wk = 0.0024876 k( 391) = ( -0.3854167 0.2349537 0.2440535), wk = 0.0024876 k( 392) = ( -0.3958333 0.2413038 0.2440535), wk = 0.0024876 k( 393) = ( -0.4062500 0.2476539 0.2440535), wk = 0.0024876 k( 394) = ( -0.4166667 0.2540040 0.2440535), wk = 0.0024876 k( 395) = ( -0.4270833 0.2603541 0.2440535), wk = 0.0024876 k( 396) = ( -0.4375000 0.2667042 0.2440535), wk = 0.0024876 k( 397) = ( -0.4479167 0.2730543 0.2440535), wk = 0.0024876 k( 398) = ( -0.4583333 0.2794044 0.2440535), wk = 0.0024876 k( 399) = ( -0.4687500 0.2857545 0.2440535), wk = 0.0024876 k( 400) = ( -0.4791667 0.2921046 0.2440535), wk = 0.0024876 k( 401) = ( -0.4895833 0.2984547 0.2440535), wk = 0.0024876 k( 402) = ( -0.5000000 0.3048048 0.2440535), wk = 0.0024876 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 2) = ( 0.0063501 0.0063501 0.0000000), wk = 0.0024876 k( 3) = ( 0.0127002 0.0127002 0.0000000), wk = 0.0024876 k( 4) = ( 0.0190503 0.0190503 0.0000000), wk = 0.0024876 k( 5) = ( 0.0254004 0.0254004 0.0000000), wk = 0.0024876 k( 6) = ( 0.0317506 0.0317506 -0.0000000), wk = 0.0024876 k( 7) = ( 0.0381007 0.0381007 0.0000000), wk = 0.0024876 k( 8) = ( 0.0444508 0.0444508 0.0000000), wk = 0.0024876 k( 9) = ( 0.0508009 0.0508009 0.0000000), wk = 0.0024876 k( 10) = ( 0.0571510 0.0571510 -0.0000000), wk = 0.0024876 k( 11) = ( 0.0635011 0.0635011 0.0000000), wk = 0.0024876 k( 12) = ( 0.0698512 0.0698512 0.0000000), wk = 0.0024876 k( 13) = ( 0.0762013 0.0762013 -0.0000000), wk = 0.0024876 k( 14) = ( 0.0825514 0.0825514 0.0000000), wk = 0.0024876 k( 15) = ( 0.0889015 0.0889016 -0.0000000), wk = 0.0024876 k( 16) = ( 0.0952517 0.0952517 -0.0000000), wk = 0.0024876 k( 17) = ( 0.1016018 0.1016018 0.0000000), wk = 0.0024876 k( 18) = ( 0.1079519 0.1079519 0.0000000), wk = 0.0024876 k( 19) = ( 0.1143020 0.1143020 0.0000000), wk = 0.0024876 k( 20) = ( 0.1206521 0.1206521 0.0000000), wk = 0.0024876 k( 21) = ( 0.1270022 0.1270022 0.0000000), wk = 0.0024876 k( 22) = ( 0.1333523 0.1333523 -0.0000000), wk = 0.0024876 k( 23) = ( 0.1397024 0.1397024 -0.0000000), wk = 0.0024876 k( 24) = ( 0.1460525 0.1460525 -0.0000000), wk = 0.0024876 k( 25) = ( 0.1524027 0.1524027 -0.0000000), wk = 0.0024876 k( 26) = ( 0.1587528 0.1587528 0.0000000), wk = 0.0024876 k( 27) = ( 0.1651029 0.1651029 0.0000000), wk = 0.0024876 k( 28) = ( 0.1714530 0.1714530 -0.0000000), wk = 0.0024876 k( 29) = ( 0.1778031 0.1778031 -0.0000000), wk = 0.0024876 k( 30) = ( 0.1841532 0.1841532 -0.0000000), wk = 0.0024876 k( 31) = ( 0.1905033 0.1905033 -0.0000000), wk = 0.0024876 k( 32) = ( 0.1968534 0.1968534 -0.0000000), wk = 0.0024876 k( 33) = ( 0.2032035 0.2032035 0.0000000), wk = 0.0024876 k( 34) = ( 0.2095537 0.2095537 -0.0000000), wk = 0.0024876 k( 35) = ( 0.2159038 0.2159038 0.0000000), wk = 0.0024876 k( 36) = ( 0.2222539 0.2222539 0.0000000), wk = 0.0024876 k( 37) = ( 0.2286040 0.2286040 0.0000000), wk = 0.0024876 k( 38) = ( 0.2349541 0.2349541 0.0000000), wk = 0.0024876 k( 39) = ( 0.2413042 0.2413042 0.0000000), wk = 0.0024876 k( 40) = ( 0.2476543 0.2476543 0.0000000), wk = 0.0024876 k( 41) = ( 0.2540044 0.2540044 0.0000000), wk = 0.0024876 k( 42) = ( 0.2603545 0.2603545 0.0000000), wk = 0.0024876 k( 43) = ( 0.2667046 0.2667046 -0.0000000), wk = 0.0024876 k( 44) = ( 0.2730548 0.2730548 0.0000000), wk = 0.0024876 k( 45) = ( 0.2794049 0.2794049 -0.0000000), wk = 0.0024876 k( 46) = ( 0.2857550 0.2857550 -0.0000000), wk = 0.0024876 k( 47) = ( 0.2921051 0.2921051 -0.0000000), wk = 0.0024876 k( 48) = ( 0.2984552 0.2984552 -0.0000000), wk = 0.0024876 k( 49) = ( 0.3048053 0.3048053 0.0000000), wk = 0.0024876 k( 50) = ( 0.3111554 0.3111554 0.0000000), wk = 0.0024876 k( 51) = ( 0.3175055 0.3175055 0.0000000), wk = 0.0024876 k( 52) = ( 0.3238556 0.3238556 0.0000000), wk = 0.0024876 k( 53) = ( 0.3302058 0.3302058 -0.0000000), wk = 0.0024876 k( 54) = ( 0.3365559 0.3365559 -0.0000000), wk = 0.0024876 k( 55) = ( 0.3429060 0.3429060 -0.0000000), wk = 0.0024876 k( 56) = ( 0.3429060 0.3429060 -0.0000000), wk = 0.0024876 k( 57) = ( 0.3306593 0.3485165 -0.0000000), wk = 0.0024876 k( 58) = ( 0.3184127 0.3541270 0.0000000), wk = 0.0024876 k( 59) = ( 0.3061660 0.3597375 0.0000000), wk = 0.0024876 k( 60) = ( 0.2939194 0.3653480 0.0000000), wk = 0.0024876 k( 61) = ( 0.2816728 0.3709585 0.0000000), wk = 0.0024876 k( 62) = ( 0.2694261 0.3765690 0.0000000), wk = 0.0024876 k( 63) = ( 0.2571795 0.3821795 -0.0000000), wk = 0.0024876 k( 64) = ( 0.2449328 0.3877900 0.0000000), wk = 0.0024876 k( 65) = ( 0.2326862 0.3934005 0.0000000), wk = 0.0024876 k( 66) = ( 0.2204396 0.3990110 -0.0000000), wk = 0.0024876 k( 67) = ( 0.2081929 0.4046215 -0.0000000), wk = 0.0024876 k( 68) = ( 0.1959463 0.4102320 -0.0000000), wk = 0.0024876 k( 69) = ( 0.1836996 0.4158425 0.0000000), wk = 0.0024876 k( 70) = ( 0.1714530 0.4214530 0.0000000), wk = 0.0024876 k( 71) = ( 0.1592063 0.4270635 0.0000000), wk = 0.0024876 k( 72) = ( 0.1469597 0.4326740 0.0000000), wk = 0.0024876 k( 73) = ( 0.1347131 0.4382845 0.0000000), wk = 0.0024876 k( 74) = ( 0.1224664 0.4438950 -0.0000000), wk = 0.0024876 k( 75) = ( 0.1102198 0.4495055 0.0000000), wk = 0.0024876 k( 76) = ( 0.0979731 0.4551160 0.0000000), wk = 0.0024876 k( 77) = ( 0.0857265 0.4607265 -0.0000000), wk = 0.0024876 k( 78) = ( 0.0734798 0.4663370 0.0000000), wk = 0.0024876 k( 79) = ( 0.0612332 0.4719475 0.0000000), wk = 0.0024876 k( 80) = ( 0.0489866 0.4775580 -0.0000000), wk = 0.0024876 k( 81) = ( 0.0367399 0.4831685 -0.0000000), wk = 0.0024876 k( 82) = ( 0.0244933 0.4887790 -0.0000000), wk = 0.0024876 k( 83) = ( 0.0122466 0.4943895 0.0000000), wk = 0.0024876 k( 84) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024876 k( 85) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024876 k( 86) = ( 0.0000000 0.5000000 0.0250000), wk = 0.0024876 k( 87) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0024876 k( 88) = ( 0.0000000 0.5000000 0.0750000), wk = 0.0024876 k( 89) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0024876 k( 90) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0024876 k( 91) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0024876 k( 92) = ( 0.0000000 0.5000000 0.1750000), wk = 0.0024876 k( 93) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0024876 k( 94) = ( 0.0000000 0.5000000 0.2250000), wk = 0.0024876 k( 95) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0024876 k( 96) = ( 0.0000000 0.5000000 0.2750000), wk = 0.0024876 k( 97) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0024876 k( 98) = ( 0.0000000 0.5000000 0.3250000), wk = 0.0024876 k( 99) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0024876 k( 100) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0024876 k( 101) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0024876 k( 102) = ( 0.0000000 0.5000000 0.4250000), wk = 0.0024876 k( 103) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0024876 k( 104) = ( 0.0000000 0.5000000 0.4750000), wk = 0.0024876 k( 105) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024876 k( 106) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024876 k( 107) = ( 0.0122466 0.4943895 0.5000000), wk = 0.0024876 k( 108) = ( 0.0244933 0.4887790 0.5000000), wk = 0.0024876 k( 109) = ( 0.0367399 0.4831685 0.5000000), wk = 0.0024876 k( 110) = ( 0.0489866 0.4775580 0.5000000), wk = 0.0024876 k( 111) = ( 0.0612332 0.4719475 0.5000000), wk = 0.0024876 k( 112) = ( 0.0734798 0.4663370 0.5000000), wk = 0.0024876 k( 113) = ( 0.0857265 0.4607265 0.5000000), wk = 0.0024876 k( 114) = ( 0.0979731 0.4551160 0.5000000), wk = 0.0024876 k( 115) = ( 0.1102198 0.4495055 0.5000000), wk = 0.0024876 k( 116) = ( 0.1224664 0.4438950 0.5000000), wk = 0.0024876 k( 117) = ( 0.1347131 0.4382845 0.5000000), wk = 0.0024876 k( 118) = ( 0.1469597 0.4326740 0.5000000), wk = 0.0024876 k( 119) = ( 0.1592063 0.4270635 0.5000000), wk = 0.0024876 k( 120) = ( 0.1714530 0.4214530 0.5000000), wk = 0.0024876 k( 121) = ( 0.1836996 0.4158425 0.5000000), wk = 0.0024876 k( 122) = ( 0.1959463 0.4102320 0.5000000), wk = 0.0024876 k( 123) = ( 0.2081929 0.4046215 0.5000000), wk = 0.0024876 k( 124) = ( 0.2204396 0.3990110 0.5000000), wk = 0.0024876 k( 125) = ( 0.2326862 0.3934005 0.5000000), wk = 0.0024876 k( 126) = ( 0.2449328 0.3877900 0.5000000), wk = 0.0024876 k( 127) = ( 0.2571795 0.3821795 0.5000000), wk = 0.0024876 k( 128) = ( 0.2694261 0.3765690 0.5000000), wk = 0.0024876 k( 129) = ( 0.2816728 0.3709585 0.5000000), wk = 0.0024876 k( 130) = ( 0.2939194 0.3653480 0.5000000), wk = 0.0024876 k( 131) = ( 0.3061660 0.3597375 0.5000000), wk = 0.0024876 k( 132) = ( 0.3184127 0.3541270 0.5000000), wk = 0.0024876 k( 133) = ( 0.3306593 0.3485165 0.5000000), wk = 0.0024876 k( 134) = ( 0.3429060 0.3429060 0.5000000), wk = 0.0024876 k( 135) = ( 0.3429060 0.3429060 0.5000000), wk = 0.0024876 k( 136) = ( 0.3365559 0.3365559 0.5000000), wk = 0.0024876 k( 137) = ( 0.3302058 0.3302058 0.5000000), wk = 0.0024876 k( 138) = ( 0.3238556 0.3238556 0.5000000), wk = 0.0024876 k( 139) = ( 0.3175055 0.3175055 0.5000000), wk = 0.0024876 k( 140) = ( 0.3111554 0.3111554 0.5000000), wk = 0.0024876 k( 141) = ( 0.3048053 0.3048053 0.5000000), wk = 0.0024876 k( 142) = ( 0.2984552 0.2984552 0.5000000), wk = 0.0024876 k( 143) = ( 0.2921051 0.2921051 0.5000000), wk = 0.0024876 k( 144) = ( 0.2857550 0.2857550 0.5000000), wk = 0.0024876 k( 145) = ( 0.2794049 0.2794049 0.5000000), wk = 0.0024876 k( 146) = ( 0.2730548 0.2730548 0.5000000), wk = 0.0024876 k( 147) = ( 0.2667046 0.2667046 0.5000000), wk = 0.0024876 k( 148) = ( 0.2603545 0.2603545 0.5000000), wk = 0.0024876 k( 149) = ( 0.2540044 0.2540044 0.5000000), wk = 0.0024876 k( 150) = ( 0.2476543 0.2476543 0.5000000), wk = 0.0024876 k( 151) = ( 0.2413042 0.2413042 0.5000000), wk = 0.0024876 k( 152) = ( 0.2349541 0.2349541 0.5000000), wk = 0.0024876 k( 153) = ( 0.2286040 0.2286040 0.5000000), wk = 0.0024876 k( 154) = ( 0.2222539 0.2222539 0.5000000), wk = 0.0024876 k( 155) = ( 0.2159038 0.2159038 0.5000000), wk = 0.0024876 k( 156) = ( 0.2095537 0.2095537 0.5000000), wk = 0.0024876 k( 157) = ( 0.2032035 0.2032035 0.5000000), wk = 0.0024876 k( 158) = ( 0.1968534 0.1968534 0.5000000), wk = 0.0024876 k( 159) = ( 0.1905033 0.1905033 0.5000000), wk = 0.0024876 k( 160) = ( 0.1841532 0.1841532 0.5000000), wk = 0.0024876 k( 161) = ( 0.1778031 0.1778031 0.5000000), wk = 0.0024876 k( 162) = ( 0.1714530 0.1714530 0.5000000), wk = 0.0024876 k( 163) = ( 0.1651029 0.1651029 0.5000000), wk = 0.0024876 k( 164) = ( 0.1587528 0.1587528 0.5000000), wk = 0.0024876 k( 165) = ( 0.1524027 0.1524027 0.5000000), wk = 0.0024876 k( 166) = ( 0.1460525 0.1460525 0.5000000), wk = 0.0024876 k( 167) = ( 0.1397024 0.1397024 0.5000000), wk = 0.0024876 k( 168) = ( 0.1333523 0.1333523 0.5000000), wk = 0.0024876 k( 169) = ( 0.1270022 0.1270022 0.5000000), wk = 0.0024876 k( 170) = ( 0.1206521 0.1206521 0.5000000), wk = 0.0024876 k( 171) = ( 0.1143020 0.1143020 0.5000000), wk = 0.0024876 k( 172) = ( 0.1079519 0.1079519 0.5000000), wk = 0.0024876 k( 173) = ( 0.1016018 0.1016018 0.5000000), wk = 0.0024876 k( 174) = ( 0.0952517 0.0952517 0.5000000), wk = 0.0024876 k( 175) = ( 0.0889015 0.0889016 0.5000000), wk = 0.0024876 k( 176) = ( 0.0825514 0.0825514 0.5000000), wk = 0.0024876 k( 177) = ( 0.0762013 0.0762013 0.5000000), wk = 0.0024876 k( 178) = ( 0.0698512 0.0698512 0.5000000), wk = 0.0024876 k( 179) = ( 0.0635011 0.0635011 0.5000000), wk = 0.0024876 k( 180) = ( 0.0571510 0.0571510 0.5000000), wk = 0.0024876 k( 181) = ( 0.0508009 0.0508009 0.5000000), wk = 0.0024876 k( 182) = ( 0.0444508 0.0444508 0.5000000), wk = 0.0024876 k( 183) = ( 0.0381007 0.0381007 0.5000000), wk = 0.0024876 k( 184) = ( 0.0317506 0.0317506 0.5000000), wk = 0.0024876 k( 185) = ( 0.0254004 0.0254004 0.5000000), wk = 0.0024876 k( 186) = ( 0.0190503 0.0190503 0.5000000), wk = 0.0024876 k( 187) = ( 0.0127002 0.0127002 0.5000000), wk = 0.0024876 k( 188) = ( 0.0063501 0.0063501 0.5000000), wk = 0.0024876 k( 189) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024876 k( 190) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024876 k( 191) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0024876 k( 192) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0024876 k( 193) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0024876 k( 194) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0024876 k( 195) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0024876 k( 196) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0024876 k( 197) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0024876 k( 198) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0024876 k( 199) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0024876 k( 200) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0024876 k( 201) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0024876 k( 202) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0024876 k( 203) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0024876 k( 204) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0024876 k( 205) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0024876 k( 206) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0024876 k( 207) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0024876 k( 208) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0024876 k( 209) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0024876 k( 210) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 211) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024876 k( 212) = ( -0.0104167 0.0104167 0.0000000), wk = 0.0024876 k( 213) = ( -0.0208333 0.0208333 0.0000000), wk = 0.0024876 k( 214) = ( -0.0312500 0.0312500 0.0000000), wk = 0.0024876 k( 215) = ( -0.0416667 0.0416667 0.0000000), wk = 0.0024876 k( 216) = ( -0.0520833 0.0520833 0.0000000), wk = 0.0024876 k( 217) = ( -0.0625000 0.0625000 0.0000000), wk = 0.0024876 k( 218) = ( -0.0729167 0.0729167 0.0000000), wk = 0.0024876 k( 219) = ( -0.0833333 0.0833333 0.0000000), wk = 0.0024876 k( 220) = ( -0.0937500 0.0937500 0.0000000), wk = 0.0024876 k( 221) = ( -0.1041667 0.1041667 0.0000000), wk = 0.0024876 k( 222) = ( -0.1145833 0.1145833 0.0000000), wk = 0.0024876 k( 223) = ( -0.1250000 0.1250000 0.0000000), wk = 0.0024876 k( 224) = ( -0.1354167 0.1354167 0.0000000), wk = 0.0024876 k( 225) = ( -0.1458333 0.1458333 0.0000000), wk = 0.0024876 k( 226) = ( -0.1562500 0.1562500 0.0000000), wk = 0.0024876 k( 227) = ( -0.1666667 0.1666667 0.0000000), wk = 0.0024876 k( 228) = ( -0.1770833 0.1770833 0.0000000), wk = 0.0024876 k( 229) = ( -0.1875000 0.1875000 0.0000000), wk = 0.0024876 k( 230) = ( -0.1979167 0.1979167 0.0000000), wk = 0.0024876 k( 231) = ( -0.2083333 0.2083333 0.0000000), wk = 0.0024876 k( 232) = ( -0.2187500 0.2187500 0.0000000), wk = 0.0024876 k( 233) = ( -0.2291667 0.2291667 0.0000000), wk = 0.0024876 k( 234) = ( -0.2395833 0.2395833 0.0000000), wk = 0.0024876 k( 235) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0024876 k( 236) = ( -0.2604167 0.2604167 0.0000000), wk = 0.0024876 k( 237) = ( -0.2708333 0.2708333 0.0000000), wk = 0.0024876 k( 238) = ( -0.2812500 0.2812500 0.0000000), wk = 0.0024876 k( 239) = ( -0.2916667 0.2916667 0.0000000), wk = 0.0024876 k( 240) = ( -0.3020833 0.3020833 -0.0000000), wk = 0.0024876 k( 241) = ( -0.3125000 0.3125000 0.0000000), wk = 0.0024876 k( 242) = ( -0.3229167 0.3229167 0.0000000), wk = 0.0024876 k( 243) = ( -0.3333333 0.3333333 0.0000000), wk = 0.0024876 k( 244) = ( -0.3437500 0.3437500 0.0000000), wk = 0.0024876 k( 245) = ( -0.3541667 0.3541667 0.0000000), wk = 0.0024876 k( 246) = ( -0.3645833 0.3645833 0.0000000), wk = 0.0024876 k( 247) = ( -0.3750000 0.3750000 0.0000000), wk = 0.0024876 k( 248) = ( -0.3854167 0.3854167 0.0000000), wk = 0.0024876 k( 249) = ( -0.3958333 0.3958333 0.0000000), wk = 0.0024876 k( 250) = ( -0.4062500 0.4062500 0.0000000), wk = 0.0024876 k( 251) = ( -0.4166667 0.4166667 0.0000000), wk = 0.0024876 k( 252) = ( -0.4270833 0.4270833 0.0000000), wk = 0.0024876 k( 253) = ( -0.4375000 0.4375000 0.0000000), wk = 0.0024876 k( 254) = ( -0.4479167 0.4479167 0.0000000), wk = 0.0024876 k( 255) = ( -0.4583333 0.4583333 0.0000000), wk = 0.0024876 k( 256) = ( -0.4687500 0.4687500 -0.0000000), wk = 0.0024876 k( 257) = ( -0.4791667 0.4791667 0.0000000), wk = 0.0024876 k( 258) = ( -0.4895833 0.4895833 0.0000000), wk = 0.0024876 k( 259) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0024876 k( 260) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0024876 k( 261) = ( -0.4937162 0.5062838 0.0000000), wk = 0.0024876 k( 262) = ( -0.4874325 0.5125675 0.0000000), wk = 0.0024876 k( 263) = ( -0.4811487 0.5188513 0.0000000), wk = 0.0024876 k( 264) = ( -0.4748650 0.5251350 0.0000000), wk = 0.0024876 k( 265) = ( -0.4685812 0.5314188 0.0000000), wk = 0.0024876 k( 266) = ( -0.4622974 0.5377026 0.0000000), wk = 0.0024876 k( 267) = ( -0.4560137 0.5439863 0.0000000), wk = 0.0024876 k( 268) = ( -0.4497299 0.5502701 -0.0000000), wk = 0.0024876 k( 269) = ( -0.4434461 0.5565539 0.0000000), wk = 0.0024876 k( 270) = ( -0.4371624 0.5628376 0.0000000), wk = 0.0024876 k( 271) = ( -0.4308786 0.5691214 0.0000000), wk = 0.0024876 k( 272) = ( -0.4245949 0.5754051 0.0000000), wk = 0.0024876 k( 273) = ( -0.4183111 0.5816889 -0.0000000), wk = 0.0024876 k( 274) = ( -0.4120273 0.5879727 -0.0000000), wk = 0.0024876 k( 275) = ( -0.4057436 0.5942564 0.0000000), wk = 0.0024876 k( 276) = ( -0.3994598 0.6005402 0.0000000), wk = 0.0024876 k( 277) = ( -0.3931761 0.6068239 -0.0000000), wk = 0.0024876 k( 278) = ( -0.3868923 0.6131077 -0.0000000), wk = 0.0024876 k( 279) = ( -0.3806085 0.6193915 0.0000000), wk = 0.0024876 k( 280) = ( -0.3743248 0.6256752 -0.0000000), wk = 0.0024876 k( 281) = ( -0.3680410 0.6319590 0.0000000), wk = 0.0024876 k( 282) = ( -0.3617572 0.6382428 0.0000000), wk = 0.0024876 k( 283) = ( -0.3554735 0.6445265 -0.0000000), wk = 0.0024876 k( 284) = ( -0.3491897 0.6508103 0.0000000), wk = 0.0024876 k( 285) = ( -0.3429060 0.6570940 -0.0000000), wk = 0.0024876 k( 286) = ( -0.3429060 0.6570940 -0.0000000), wk = 0.0024876 k( 287) = ( -0.3429060 0.6570940 0.0250000), wk = 0.0024876 k( 288) = ( -0.3429060 0.6570940 0.0500000), wk = 0.0024876 k( 289) = ( -0.3429060 0.6570940 0.0750000), wk = 0.0024876 k( 290) = ( -0.3429060 0.6570940 0.1000000), wk = 0.0024876 k( 291) = ( -0.3429060 0.6570940 0.1250000), wk = 0.0024876 k( 292) = ( -0.3429060 0.6570940 0.1500000), wk = 0.0024876 k( 293) = ( -0.3429060 0.6570940 0.1750000), wk = 0.0024876 k( 294) = ( -0.3429060 0.6570940 0.2000000), wk = 0.0024876 k( 295) = ( -0.3429060 0.6570940 0.2250000), wk = 0.0024876 k( 296) = ( -0.3429060 0.6570940 0.2500000), wk = 0.0024876 k( 297) = ( -0.3429060 0.6570940 0.2750000), wk = 0.0024876 k( 298) = ( -0.3429060 0.6570940 0.3000000), wk = 0.0024876 k( 299) = ( -0.3429060 0.6570940 0.3250000), wk = 0.0024876 k( 300) = ( -0.3429060 0.6570940 0.3500000), wk = 0.0024876 k( 301) = ( -0.3429060 0.6570940 0.3750000), wk = 0.0024876 k( 302) = ( -0.3429060 0.6570940 0.4000000), wk = 0.0024876 k( 303) = ( -0.3429060 0.6570940 0.4250000), wk = 0.0024876 k( 304) = ( -0.3429060 0.6570940 0.4500000), wk = 0.0024876 k( 305) = ( -0.3429060 0.6570940 0.4750000), wk = 0.0024876 k( 306) = ( -0.3429060 0.6570940 0.5000000), wk = 0.0024876 k( 307) = ( -0.3429060 0.6570940 0.5000000), wk = 0.0024876 k( 308) = ( -0.3491897 0.6508103 0.5000000), wk = 0.0024876 k( 309) = ( -0.3554735 0.6445265 0.5000000), wk = 0.0024876 k( 310) = ( -0.3617572 0.6382428 0.5000000), wk = 0.0024876 k( 311) = ( -0.3680410 0.6319590 0.5000000), wk = 0.0024876 k( 312) = ( -0.3743248 0.6256752 0.5000000), wk = 0.0024876 k( 313) = ( -0.3806085 0.6193915 0.5000000), wk = 0.0024876 k( 314) = ( -0.3868923 0.6131077 0.5000000), wk = 0.0024876 k( 315) = ( -0.3931761 0.6068239 0.5000000), wk = 0.0024876 k( 316) = ( -0.3994598 0.6005402 0.5000000), wk = 0.0024876 k( 317) = ( -0.4057436 0.5942564 0.5000000), wk = 0.0024876 k( 318) = ( -0.4120273 0.5879727 0.5000000), wk = 0.0024876 k( 319) = ( -0.4183111 0.5816889 0.5000000), wk = 0.0024876 k( 320) = ( -0.4245949 0.5754051 0.5000000), wk = 0.0024876 k( 321) = ( -0.4308786 0.5691214 0.5000000), wk = 0.0024876 k( 322) = ( -0.4371624 0.5628376 0.5000000), wk = 0.0024876 k( 323) = ( -0.4434461 0.5565539 0.5000000), wk = 0.0024876 k( 324) = ( -0.4497299 0.5502701 0.5000000), wk = 0.0024876 k( 325) = ( -0.4560137 0.5439863 0.5000000), wk = 0.0024876 k( 326) = ( -0.4622974 0.5377026 0.5000000), wk = 0.0024876 k( 327) = ( -0.4685812 0.5314188 0.5000000), wk = 0.0024876 k( 328) = ( -0.4748650 0.5251350 0.5000000), wk = 0.0024876 k( 329) = ( -0.4811487 0.5188513 0.5000000), wk = 0.0024876 k( 330) = ( -0.4874325 0.5125675 0.5000000), wk = 0.0024876 k( 331) = ( -0.4937162 0.5062838 0.5000000), wk = 0.0024876 k( 332) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024876 k( 333) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024876 k( 334) = ( -0.5000000 0.5000000 0.4750000), wk = 0.0024876 k( 335) = ( -0.5000000 0.5000000 0.4500000), wk = 0.0024876 k( 336) = ( -0.5000000 0.5000000 0.4250000), wk = 0.0024876 k( 337) = ( -0.5000000 0.5000000 0.4000000), wk = 0.0024876 k( 338) = ( -0.5000000 0.5000000 0.3750000), wk = 0.0024876 k( 339) = ( -0.5000000 0.5000000 0.3500000), wk = 0.0024876 k( 340) = ( -0.5000000 0.5000000 0.3250000), wk = 0.0024876 k( 341) = ( -0.5000000 0.5000000 0.3000000), wk = 0.0024876 k( 342) = ( -0.5000000 0.5000000 0.2750000), wk = 0.0024876 k( 343) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0024876 k( 344) = ( -0.5000000 0.5000000 0.2250000), wk = 0.0024876 k( 345) = ( -0.5000000 0.5000000 0.2000000), wk = 0.0024876 k( 346) = ( -0.5000000 0.5000000 0.1750000), wk = 0.0024876 k( 347) = ( -0.5000000 0.5000000 0.1500000), wk = 0.0024876 k( 348) = ( -0.5000000 0.5000000 0.1250000), wk = 0.0024876 k( 349) = ( -0.5000000 0.5000000 0.1000000), wk = 0.0024876 k( 350) = ( -0.5000000 0.5000000 0.0750000), wk = 0.0024876 k( 351) = ( -0.5000000 0.5000000 0.0500000), wk = 0.0024876 k( 352) = ( -0.5000000 0.5000000 0.0250000), wk = 0.0024876 k( 353) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0024876 k( 354) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024876 k( 355) = ( -0.0104167 0.0104167 0.5000000), wk = 0.0024876 k( 356) = ( -0.0208333 0.0208333 0.5000000), wk = 0.0024876 k( 357) = ( -0.0312500 0.0312500 0.5000000), wk = 0.0024876 k( 358) = ( -0.0416667 0.0416667 0.5000000), wk = 0.0024876 k( 359) = ( -0.0520833 0.0520833 0.5000000), wk = 0.0024876 k( 360) = ( -0.0625000 0.0625000 0.5000000), wk = 0.0024876 k( 361) = ( -0.0729167 0.0729167 0.5000000), wk = 0.0024876 k( 362) = ( -0.0833333 0.0833333 0.5000000), wk = 0.0024876 k( 363) = ( -0.0937500 0.0937500 0.5000000), wk = 0.0024876 k( 364) = ( -0.1041667 0.1041667 0.5000000), wk = 0.0024876 k( 365) = ( -0.1145833 0.1145833 0.5000000), wk = 0.0024876 k( 366) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0024876 k( 367) = ( -0.1354167 0.1354167 0.5000000), wk = 0.0024876 k( 368) = ( -0.1458333 0.1458333 0.5000000), wk = 0.0024876 k( 369) = ( -0.1562500 0.1562500 0.5000000), wk = 0.0024876 k( 370) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0024876 k( 371) = ( -0.1770833 0.1770833 0.5000000), wk = 0.0024876 k( 372) = ( -0.1875000 0.1875000 0.5000000), wk = 0.0024876 k( 373) = ( -0.1979167 0.1979167 0.5000000), wk = 0.0024876 k( 374) = ( -0.2083333 0.2083333 0.5000000), wk = 0.0024876 k( 375) = ( -0.2187500 0.2187500 0.5000000), wk = 0.0024876 k( 376) = ( -0.2291667 0.2291667 0.5000000), wk = 0.0024876 k( 377) = ( -0.2395833 0.2395833 0.5000000), wk = 0.0024876 k( 378) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0024876 k( 379) = ( -0.2604167 0.2604167 0.5000000), wk = 0.0024876 k( 380) = ( -0.2708333 0.2708333 0.5000000), wk = 0.0024876 k( 381) = ( -0.2812500 0.2812500 0.5000000), wk = 0.0024876 k( 382) = ( -0.2916667 0.2916667 0.5000000), wk = 0.0024876 k( 383) = ( -0.3020833 0.3020833 0.5000000), wk = 0.0024876 k( 384) = ( -0.3125000 0.3125000 0.5000000), wk = 0.0024876 k( 385) = ( -0.3229167 0.3229167 0.5000000), wk = 0.0024876 k( 386) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0024876 k( 387) = ( -0.3437500 0.3437500 0.5000000), wk = 0.0024876 k( 388) = ( -0.3541667 0.3541667 0.5000000), wk = 0.0024876 k( 389) = ( -0.3645833 0.3645833 0.5000000), wk = 0.0024876 k( 390) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0024876 k( 391) = ( -0.3854167 0.3854167 0.5000000), wk = 0.0024876 k( 392) = ( -0.3958333 0.3958333 0.5000000), wk = 0.0024876 k( 393) = ( -0.4062500 0.4062500 0.5000000), wk = 0.0024876 k( 394) = ( -0.4166667 0.4166667 0.5000000), wk = 0.0024876 k( 395) = ( -0.4270833 0.4270833 0.5000000), wk = 0.0024876 k( 396) = ( -0.4375000 0.4375000 0.5000000), wk = 0.0024876 k( 397) = ( -0.4479167 0.4479167 0.5000000), wk = 0.0024876 k( 398) = ( -0.4583333 0.4583333 0.5000000), wk = 0.0024876 k( 399) = ( -0.4687500 0.4687500 0.5000000), wk = 0.0024876 k( 400) = ( -0.4791667 0.4791667 0.5000000), wk = 0.0024876 k( 401) = ( -0.4895833 0.4895833 0.5000000), wk = 0.0024876 k( 402) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024876 Dense grid: 44849 G-vectors FFT dimensions: ( 40, 40, 75) Smooth grid: 30751 G-vectors FFT dimensions: ( 32, 32, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.24 Mb ( 232, 68) NL pseudopotentials 0.36 Mb ( 116, 204) Each V/rho on FFT grid 0.07 Mb ( 4800) Each G-vector array 0.01 Mb ( 1246) G-vector shells 0.00 Mb ( 567) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.96 Mb ( 232, 272) Each subspace H/S matrix 0.07 Mb ( 68, 68) Each matrix 0.42 Mb ( 204, 2, 68) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./CuAgS.save/charge-density.dat Starting wfc are 88 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 4.0 secs Computing kpt #: 3 total cpu time spent up to now is 4.5 secs Computing kpt #: 4 total cpu time spent up to now is 5.1 secs Computing kpt #: 5 total cpu time spent up to now is 5.6 secs Computing kpt #: 6 total cpu time spent up to now is 6.1 secs Computing kpt #: 7 total cpu time spent up to now is 6.7 secs Computing kpt #: 8 total cpu time spent up to now is 7.3 secs Computing kpt #: 9 total cpu time spent up to now is 7.8 secs Computing kpt #: 10 total cpu time spent up to now is 8.4 secs Computing kpt #: 11 total cpu time spent up to now is 9.0 secs Computing kpt #: 12 total cpu time spent up to now is 9.5 secs Computing kpt #: 13 total cpu time spent up to now is 10.0 secs Computing kpt #: 14 total cpu time spent up to now is 10.5 secs Computing kpt #: 15 total cpu time spent up to now is 11.1 secs Computing kpt #: 16 total cpu time spent up to now is 11.6 secs Computing kpt #: 17 total cpu time spent up to now is 12.1 secs Computing kpt #: 18 total cpu time spent up to now is 12.5 secs Computing kpt #: 19 total cpu time spent up to now is 13.0 secs Computing kpt #: 20 total cpu time spent up to now is 13.5 secs Computing kpt #: 21 total cpu time spent up to now is 14.0 secs Computing kpt #: 22 total cpu time spent up to now is 14.6 secs Computing kpt #: 23 total cpu time spent up to now is 15.1 secs Computing kpt #: 24 total cpu time spent up to now is 15.6 secs Computing kpt #: 25 total cpu time spent up to now is 16.1 secs Computing kpt #: 26 total cpu time spent up to now is 16.7 secs Computing kpt #: 27 total cpu time spent up to now is 17.2 secs Computing kpt #: 28 total cpu time spent up to now is 17.7 secs Computing kpt #: 29 total cpu time spent up to now is 18.2 secs Computing kpt #: 30 total cpu time spent up to now is 18.7 secs Computing kpt #: 31 total cpu time spent up to now is 19.2 secs Computing kpt #: 32 total cpu time spent up to now is 19.7 secs Computing kpt #: 33 total cpu time spent up to now is 20.3 secs Computing kpt #: 34 total cpu time spent up to now is 20.8 secs Computing kpt #: 35 total cpu time spent up to now is 21.3 secs Computing kpt #: 36 total cpu time spent up to now is 21.8 secs Computing kpt #: 37 total cpu time spent up to now is 22.3 secs Computing kpt #: 38 total cpu time spent up to now is 22.9 secs Computing kpt #: 39 total cpu time spent up to now is 23.4 secs Computing kpt #: 40 total cpu time spent up to now is 23.9 secs Computing kpt #: 41 total cpu time spent up to now is 24.4 secs Computing kpt #: 42 total cpu time spent up to now is 24.9 secs Computing kpt #: 43 total cpu time spent up to now is 25.4 secs Computing kpt #: 44 total cpu time spent up to now is 25.9 secs Computing kpt #: 45 total cpu time spent up to now is 26.4 secs Computing kpt #: 46 total cpu time spent up to now is 26.9 secs Computing kpt #: 47 total cpu time spent up to now is 27.4 secs Computing kpt #: 48 total cpu time spent up to now is 27.9 secs Computing kpt #: 49 total cpu time spent up to now is 28.3 secs Computing kpt #: 50 total cpu time spent up to now is 28.8 secs Computing kpt #: 51 total cpu time spent up to now is 29.3 secs Computing kpt #: 52 total cpu time spent up to now is 29.7 secs Computing kpt #: 53 total cpu time spent up to now is 30.2 secs Computing kpt #: 54 total cpu time spent up to now is 30.7 secs Computing kpt #: 55 total cpu time spent up to now is 31.1 secs Computing kpt #: 56 total cpu time spent up to now is 31.6 secs Computing kpt #: 57 total cpu time spent up to now is 32.1 secs Computing kpt #: 58 total cpu time spent up to now is 32.5 secs Computing kpt #: 59 total cpu time spent up to now is 33.0 secs Computing kpt #: 60 total cpu time spent up to now is 33.5 secs Computing kpt #: 61 total cpu time spent up to now is 34.0 secs Computing kpt #: 62 total cpu time spent up to now is 34.5 secs Computing kpt #: 63 total cpu time spent up to now is 35.0 secs Computing kpt #: 64 total cpu time spent up to now is 35.5 secs Computing kpt #: 65 total cpu time spent up to now is 36.1 secs Computing kpt #: 66 total cpu time spent up to now is 36.6 secs Computing kpt #: 67 total cpu time spent up to now is 37.2 secs Computing kpt #: 68 total cpu time spent up to now is 37.8 secs Computing kpt #: 69 total cpu time spent up to now is 38.4 secs Computing kpt #: 70 total cpu time spent up to now is 38.9 secs Computing kpt #: 71 total cpu time spent up to now is 39.5 secs Computing kpt #: 72 total cpu time spent up to now is 40.0 secs Computing kpt #: 73 total cpu time spent up to now is 40.6 secs Computing kpt #: 74 total cpu time spent up to now is 41.1 secs Computing kpt #: 75 total cpu time spent up to now is 41.5 secs Computing kpt #: 76 total cpu time spent up to now is 42.0 secs Computing kpt #: 77 total cpu time spent up to now is 42.4 secs Computing kpt #: 78 total cpu time spent up to now is 42.9 secs Computing kpt #: 79 total cpu time spent up to now is 43.4 secs Computing kpt #: 80 total cpu time spent up to now is 43.8 secs Computing kpt #: 81 total cpu time spent up to now is 44.2 secs Computing kpt #: 82 total cpu time spent up to now is 44.6 secs Computing kpt #: 83 total cpu time spent up to now is 45.1 secs Computing kpt #: 84 total cpu time spent up to now is 45.5 secs Computing kpt #: 85 total cpu time spent up to now is 45.9 secs Computing kpt #: 86 total cpu time spent up to now is 46.4 secs Computing kpt #: 87 total cpu time spent up to now is 46.8 secs Computing kpt #: 88 total cpu time spent up to now is 47.2 secs Computing kpt #: 89 total cpu time spent up to now is 47.7 secs Computing kpt #: 90 total cpu time spent up to now is 48.1 secs Computing kpt #: 91 total cpu time spent up to now is 48.6 secs Computing kpt #: 92 total cpu time spent up to now is 49.0 secs Computing kpt #: 93 total cpu time spent up to now is 49.4 secs Computing kpt #: 94 total cpu time spent up to now is 49.9 secs Computing kpt #: 95 total cpu time spent up to now is 50.3 secs Computing kpt #: 96 total cpu time spent up to now is 50.8 secs Computing kpt #: 97 total cpu time spent up to now is 51.2 secs Computing kpt #: 98 total cpu time spent up to now is 51.7 secs Computing kpt #: 99 total cpu time spent up to now is 52.1 secs Computing kpt #: 100 total cpu time spent up to now is 52.6 secs Computing kpt #: 101 total cpu time spent up to now is 53.0 secs Computing kpt #: 102 total cpu time spent up to now is 53.5 secs Computing kpt #: 103 total cpu time spent up to now is 53.9 secs Computing kpt #: 104 total cpu time spent up to now is 54.4 secs Computing kpt #: 105 total cpu time spent up to now is 54.8 secs Computing kpt #: 106 total cpu time spent up to now is 55.3 secs Computing kpt #: 107 total cpu time spent up to now is 55.8 secs Computing kpt #: 108 total cpu time spent up to now is 56.2 secs Computing kpt #: 109 total cpu time spent up to now is 56.7 secs Computing kpt #: 110 total cpu time spent up to now is 57.1 secs Computing kpt #: 111 total cpu time spent up to now is 57.6 secs Computing kpt #: 112 total cpu time spent up to now is 58.0 secs Computing kpt #: 113 total cpu time spent up to now is 58.5 secs Computing kpt #: 114 total cpu time spent up to now is 58.9 secs Computing kpt #: 115 total cpu time spent up to now is 59.4 secs Computing kpt #: 116 total cpu time spent up to now is 59.9 secs Computing kpt #: 117 total cpu time spent up to now is 60.4 secs Computing kpt #: 118 total cpu time spent up to now is 60.8 secs Computing kpt #: 119 total cpu time spent up to now is 61.3 secs Computing kpt #: 120 total cpu time spent up to now is 61.8 secs Computing kpt #: 121 total cpu time spent up to now is 62.3 secs Computing kpt #: 122 total cpu time spent up to now is 62.8 secs Computing kpt #: 123 total cpu time spent up to now is 63.3 secs Computing kpt #: 124 total cpu time spent up to now is 63.9 secs Computing kpt #: 125 total cpu time spent up to now is 64.4 secs Computing kpt #: 126 total cpu time spent up to now is 64.9 secs Computing kpt #: 127 total cpu time spent up to now is 65.4 secs Computing kpt #: 128 total cpu time spent up to now is 66.0 secs Computing kpt #: 129 total cpu time spent up to now is 66.5 secs Computing kpt #: 130 total cpu time spent up to now is 67.0 secs Computing kpt #: 131 total cpu time spent up to now is 67.5 secs Computing kpt #: 132 total cpu time spent up to now is 68.0 secs Computing kpt #: 133 total cpu time spent up to now is 68.5 secs Computing kpt #: 134 total cpu time spent up to now is 69.0 secs Computing kpt #: 135 total cpu time spent up to now is 69.5 secs Computing kpt #: 136 total cpu time spent up to now is 70.0 secs Computing kpt #: 137 total cpu time spent up to now is 70.5 secs Computing kpt #: 138 total cpu time spent up to now is 71.0 secs Computing kpt #: 139 total cpu time spent up to now is 71.5 secs Computing kpt #: 140 total cpu time spent up to now is 72.0 secs Computing kpt #: 141 total cpu time spent up to now is 72.5 secs Computing kpt #: 142 total cpu time spent up to now is 73.0 secs Computing kpt #: 143 total cpu time spent up to now is 73.5 secs Computing kpt #: 144 total cpu time spent up to now is 74.0 secs Computing kpt #: 145 total cpu time spent up to now is 74.5 secs Computing kpt #: 146 total cpu time spent up to now is 75.0 secs Computing kpt #: 147 total cpu time spent up to now is 75.5 secs Computing kpt #: 148 total cpu time spent up to now is 76.0 secs Computing kpt #: 149 total cpu time spent up to now is 76.5 secs Computing kpt #: 150 total cpu time spent up to now is 77.0 secs Computing kpt #: 151 total cpu time spent up to now is 77.5 secs Computing kpt #: 152 total cpu time spent up to now is 78.0 secs Computing kpt #: 153 total cpu time spent up to now is 78.5 secs Computing kpt #: 154 total cpu time spent up to now is 78.9 secs Computing kpt #: 155 total cpu time spent up to now is 79.4 secs Computing kpt #: 156 total cpu time spent up to now is 79.9 secs Computing kpt #: 157 total cpu time spent up to now is 80.3 secs Computing kpt #: 158 total cpu time spent up to now is 80.8 secs Computing kpt #: 159 total cpu time spent up to now is 81.3 secs Computing kpt #: 160 total cpu time spent up to now is 81.7 secs Computing kpt #: 161 total cpu time spent up to now is 82.2 secs Computing kpt #: 162 total cpu time spent up to now is 82.6 secs Computing kpt #: 163 total cpu time spent up to now is 83.0 secs Computing kpt #: 164 total cpu time spent up to now is 83.5 secs Computing kpt #: 165 total cpu time spent up to now is 83.9 secs Computing kpt #: 166 total cpu time spent up to now is 84.4 secs Computing kpt #: 167 total cpu time spent up to now is 84.8 secs Computing kpt #: 168 total cpu time spent up to now is 85.2 secs Computing kpt #: 169 total cpu time spent up to now is 85.7 secs Computing kpt #: 170 total cpu time spent up to now is 86.1 secs Computing kpt #: 171 total cpu time spent up to now is 86.5 secs Computing kpt #: 172 total cpu time spent up to now is 87.0 secs Computing kpt #: 173 total cpu time spent up to now is 87.4 secs Computing kpt #: 174 total cpu time spent up to now is 87.8 secs Computing kpt #: 175 total cpu time spent up to now is 88.3 secs Computing kpt #: 176 total cpu time spent up to now is 88.7 secs Computing kpt #: 177 total cpu time spent up to now is 89.2 secs Computing kpt #: 178 total cpu time spent up to now is 89.6 secs Computing kpt #: 179 total cpu time spent up to now is 90.1 secs Computing kpt #: 180 total cpu time spent up to now is 90.5 secs Computing kpt #: 181 total cpu time spent up to now is 91.0 secs Computing kpt #: 182 total cpu time spent up to now is 91.4 secs Computing kpt #: 183 total cpu time spent up to now is 91.9 secs Computing kpt #: 184 total cpu time spent up to now is 92.4 secs Computing kpt #: 185 total cpu time spent up to now is 92.8 secs Computing kpt #: 186 total cpu time spent up to now is 93.3 secs Computing kpt #: 187 total cpu time spent up to now is 93.8 secs Computing kpt #: 188 total cpu time spent up to now is 94.3 secs Computing kpt #: 189 total cpu time spent up to now is 94.8 secs Computing kpt #: 190 total cpu time spent up to now is 95.2 secs Computing kpt #: 191 total cpu time spent up to now is 95.7 secs Computing kpt #: 192 total cpu time spent up to now is 96.2 secs Computing kpt #: 193 total cpu time spent up to now is 96.7 secs Computing kpt #: 194 total cpu time spent up to now is 97.2 secs Computing kpt #: 195 total cpu time spent up to now is 97.7 secs Computing kpt #: 196 total cpu time spent up to now is 98.2 secs Computing kpt #: 197 total cpu time spent up to now is 98.7 secs Computing kpt #: 198 total cpu time spent up to now is 99.3 secs Computing kpt #: 199 total cpu time spent up to now is 99.8 secs Computing kpt #: 200 total cpu time spent up to now is 100.3 secs Computing kpt #: 201 total cpu time spent up to now is 100.8 secs Computing kpt #: 202 total cpu time spent up to now is 101.3 secs Computing kpt #: 203 total cpu time spent up to now is 101.8 secs Computing kpt #: 204 total cpu time spent up to now is 102.3 secs Computing kpt #: 205 total cpu time spent up to now is 102.8 secs Computing kpt #: 206 total cpu time spent up to now is 103.3 secs Computing kpt #: 207 total cpu time spent up to now is 103.9 secs Computing kpt #: 208 total cpu time spent up to now is 104.3 secs Computing kpt #: 209 total cpu time spent up to now is 104.9 secs Computing kpt #: 210 total cpu time spent up to now is 105.5 secs Computing kpt #: 211 total cpu time spent up to now is 106.0 secs Computing kpt #: 212 total cpu time spent up to now is 106.6 secs Computing kpt #: 213 total cpu time spent up to now is 107.1 secs Computing kpt #: 214 total cpu time spent up to now is 107.6 secs Computing kpt #: 215 total cpu time spent up to now is 108.1 secs Computing kpt #: 216 total cpu time spent up to now is 108.6 secs Computing kpt #: 217 total cpu time spent up to now is 109.2 secs Computing kpt #: 218 total cpu time spent up to now is 109.7 secs Computing kpt #: 219 total cpu time spent up to now is 110.2 secs Computing kpt #: 220 total cpu time spent up to now is 110.7 secs Computing kpt #: 221 total cpu time spent up to now is 111.2 secs Computing kpt #: 222 total cpu time spent up to now is 111.7 secs Computing kpt #: 223 total cpu time spent up to now is 112.2 secs Computing kpt #: 224 total cpu time spent up to now is 112.7 secs Computing kpt #: 225 total cpu time spent up to now is 113.2 secs Computing kpt #: 226 total cpu time spent up to now is 113.7 secs Computing kpt #: 227 total cpu time spent up to now is 114.2 secs Computing kpt #: 228 total cpu time spent up to now is 114.7 secs Computing kpt #: 229 total cpu time spent up to now is 115.2 secs Computing kpt #: 230 total cpu time spent up to now is 115.7 secs Computing kpt #: 231 total cpu time spent up to now is 116.1 secs Computing kpt #: 232 total cpu time spent up to now is 116.6 secs Computing kpt #: 233 total cpu time spent up to now is 117.1 secs Computing kpt #: 234 total cpu time spent up to now is 117.5 secs Computing kpt #: 235 total cpu time spent up to now is 118.0 secs Computing kpt #: 236 total cpu time spent up to now is 118.4 secs Computing kpt #: 237 total cpu time spent up to now is 118.9 secs Computing kpt #: 238 total cpu time spent up to now is 119.3 secs Computing kpt #: 239 total cpu time spent up to now is 119.8 secs Computing kpt #: 240 total cpu time spent up to now is 120.2 secs Computing kpt #: 241 total cpu time spent up to now is 120.7 secs Computing kpt #: 242 total cpu time spent up to now is 121.1 secs Computing kpt #: 243 total cpu time spent up to now is 121.6 secs Computing kpt #: 244 total cpu time spent up to now is 122.0 secs Computing kpt #: 245 total cpu time spent up to now is 122.4 secs Computing kpt #: 246 total cpu time spent up to now is 122.9 secs Computing kpt #: 247 total cpu time spent up to now is 123.4 secs Computing kpt #: 248 total cpu time spent up to now is 123.8 secs Computing kpt #: 249 total cpu time spent up to now is 124.3 secs Computing kpt #: 250 total cpu time spent up to now is 124.8 secs Computing kpt #: 251 total cpu time spent up to now is 125.3 secs Computing kpt #: 252 total cpu time spent up to now is 125.8 secs Computing kpt #: 253 total cpu time spent up to now is 126.2 secs Computing kpt #: 254 total cpu time spent up to now is 126.7 secs Computing kpt #: 255 total cpu time spent up to now is 127.1 secs Computing kpt #: 256 total cpu time spent up to now is 127.6 secs Computing kpt #: 257 total cpu time spent up to now is 128.0 secs Computing kpt #: 258 total cpu time spent up to now is 128.5 secs Computing kpt #: 259 total cpu time spent up to now is 128.9 secs Computing kpt #: 260 total cpu time spent up to now is 129.4 secs Computing kpt #: 261 total cpu time spent up to now is 129.8 secs Computing kpt #: 262 total cpu time spent up to now is 130.3 secs Computing kpt #: 263 total cpu time spent up to now is 130.7 secs Computing kpt #: 264 total cpu time spent up to now is 131.2 secs Computing kpt #: 265 total cpu time spent up to now is 131.7 secs Computing kpt #: 266 total cpu time spent up to now is 132.2 secs Computing kpt #: 267 total cpu time spent up to now is 132.7 secs Computing kpt #: 268 total cpu time spent up to now is 133.2 secs Computing kpt #: 269 total cpu time spent up to now is 133.9 secs Computing kpt #: 270 total cpu time spent up to now is 134.5 secs Computing kpt #: 271 total cpu time spent up to now is 135.1 secs Computing kpt #: 272 total cpu time spent up to now is 135.7 secs Computing kpt #: 273 total cpu time spent up to now is 136.2 secs Computing kpt #: 274 total cpu time spent up to now is 136.8 secs Computing kpt #: 275 total cpu time spent up to now is 137.3 secs Computing kpt #: 276 total cpu time spent up to now is 137.8 secs Computing kpt #: 277 total cpu time spent up to now is 138.3 secs Computing kpt #: 278 total cpu time spent up to now is 138.8 secs Computing kpt #: 279 total cpu time spent up to now is 139.3 secs Computing kpt #: 280 total cpu time spent up to now is 139.8 secs Computing kpt #: 281 total cpu time spent up to now is 140.2 secs Computing kpt #: 282 total cpu time spent up to now is 140.7 secs Computing kpt #: 283 total cpu time spent up to now is 141.2 secs Computing kpt #: 284 total cpu time spent up to now is 141.6 secs Computing kpt #: 285 total cpu time spent up to now is 142.1 secs Computing kpt #: 286 total cpu time spent up to now is 142.6 secs Computing kpt #: 287 total cpu time spent up to now is 143.1 secs Computing kpt #: 288 total cpu time spent up to now is 143.5 secs Computing kpt #: 289 total cpu time spent up to now is 144.0 secs Computing kpt #: 290 total cpu time spent up to now is 144.5 secs Computing kpt #: 291 total cpu time spent up to now is 145.0 secs Computing kpt #: 292 total cpu time spent up to now is 145.4 secs Computing kpt #: 293 total cpu time spent up to now is 145.9 secs Computing kpt #: 294 total cpu time spent up to now is 146.4 secs Computing kpt #: 295 total cpu time spent up to now is 146.9 secs Computing kpt #: 296 total cpu time spent up to now is 147.4 secs Computing kpt #: 297 total cpu time spent up to now is 147.9 secs Computing kpt #: 298 total cpu time spent up to now is 148.4 secs Computing kpt #: 299 total cpu time spent up to now is 148.9 secs Computing kpt #: 300 total cpu time spent up to now is 149.4 secs Computing kpt #: 301 total cpu time spent up to now is 149.9 secs Computing kpt #: 302 total cpu time spent up to now is 150.4 secs Computing kpt #: 303 total cpu time spent up to now is 150.9 secs Computing kpt #: 304 total cpu time spent up to now is 151.4 secs Computing kpt #: 305 total cpu time spent up to now is 151.9 secs Computing kpt #: 306 total cpu time spent up to now is 152.4 secs Computing kpt #: 307 total cpu time spent up to now is 152.9 secs Computing kpt #: 308 total cpu time spent up to now is 153.4 secs Computing kpt #: 309 total cpu time spent up to now is 153.9 secs Computing kpt #: 310 total cpu time spent up to now is 154.4 secs Computing kpt #: 311 total cpu time spent up to now is 154.9 secs Computing kpt #: 312 total cpu time spent up to now is 155.3 secs Computing kpt #: 313 total cpu time spent up to now is 155.8 secs Computing kpt #: 314 total cpu time spent up to now is 156.3 secs Computing kpt #: 315 total cpu time spent up to now is 156.7 secs Computing kpt #: 316 total cpu time spent up to now is 157.2 secs Computing kpt #: 317 total cpu time spent up to now is 157.6 secs Computing kpt #: 318 total cpu time spent up to now is 158.1 secs Computing kpt #: 319 total cpu time spent up to now is 158.6 secs Computing kpt #: 320 total cpu time spent up to now is 159.0 secs Computing kpt #: 321 total cpu time spent up to now is 159.5 secs Computing kpt #: 322 total cpu time spent up to now is 160.0 secs Computing kpt #: 323 total cpu time spent up to now is 160.4 secs Computing kpt #: 324 total cpu time spent up to now is 160.9 secs Computing kpt #: 325 total cpu time spent up to now is 161.3 secs Computing kpt #: 326 total cpu time spent up to now is 161.8 secs Computing kpt #: 327 total cpu time spent up to now is 162.2 secs Computing kpt #: 328 total cpu time spent up to now is 162.7 secs Computing kpt #: 329 total cpu time spent up to now is 163.1 secs Computing kpt #: 330 total cpu time spent up to now is 163.6 secs Computing kpt #: 331 total cpu time spent up to now is 164.1 secs Computing kpt #: 332 total cpu time spent up to now is 164.5 secs Computing kpt #: 333 total cpu time spent up to now is 165.0 secs Computing kpt #: 334 total cpu time spent up to now is 165.4 secs Computing kpt #: 335 total cpu time spent up to now is 165.9 secs Computing kpt #: 336 total cpu time spent up to now is 166.4 secs Computing kpt #: 337 total cpu time spent up to now is 166.8 secs Computing kpt #: 338 total cpu time spent up to now is 167.3 secs Computing kpt #: 339 total cpu time spent up to now is 167.8 secs Computing kpt #: 340 total cpu time spent up to now is 168.3 secs Computing kpt #: 341 total cpu time spent up to now is 168.8 secs Computing kpt #: 342 total cpu time spent up to now is 169.3 secs Computing kpt #: 343 total cpu time spent up to now is 169.8 secs Computing kpt #: 344 total cpu time spent up to now is 170.3 secs Computing kpt #: 345 total cpu time spent up to now is 170.8 secs Computing kpt #: 346 total cpu time spent up to now is 171.3 secs Computing kpt #: 347 total cpu time spent up to now is 171.8 secs Computing kpt #: 348 total cpu time spent up to now is 172.3 secs Computing kpt #: 349 total cpu time spent up to now is 172.7 secs Computing kpt #: 350 total cpu time spent up to now is 173.2 secs Computing kpt #: 351 total cpu time spent up to now is 173.7 secs Computing kpt #: 352 total cpu time spent up to now is 174.1 secs Computing kpt #: 353 total cpu time spent up to now is 174.5 secs Computing kpt #: 354 total cpu time spent up to now is 175.0 secs Computing kpt #: 355 total cpu time spent up to now is 175.5 secs Computing kpt #: 356 total cpu time spent up to now is 176.0 secs Computing kpt #: 357 total cpu time spent up to now is 176.5 secs Computing kpt #: 358 total cpu time spent up to now is 177.0 secs Computing kpt #: 359 total cpu time spent up to now is 177.5 secs Computing kpt #: 360 total cpu time spent up to now is 178.0 secs Computing kpt #: 361 total cpu time spent up to now is 178.5 secs Computing kpt #: 362 total cpu time spent up to now is 179.0 secs Computing kpt #: 363 total cpu time spent up to now is 179.5 secs Computing kpt #: 364 total cpu time spent up to now is 180.0 secs Computing kpt #: 365 total cpu time spent up to now is 180.5 secs Computing kpt #: 366 total cpu time spent up to now is 181.0 secs Computing kpt #: 367 total cpu time spent up to now is 181.5 secs Computing kpt #: 368 total cpu time spent up to now is 182.0 secs Computing kpt #: 369 total cpu time spent up to now is 182.4 secs Computing kpt #: 370 total cpu time spent up to now is 182.9 secs Computing kpt #: 371 total cpu time spent up to now is 183.4 secs Computing kpt #: 372 total cpu time spent up to now is 183.8 secs Computing kpt #: 373 total cpu time spent up to now is 184.3 secs Computing kpt #: 374 total cpu time spent up to now is 184.7 secs Computing kpt #: 375 total cpu time spent up to now is 185.2 secs Computing kpt #: 376 total cpu time spent up to now is 185.6 secs Computing kpt #: 377 total cpu time spent up to now is 186.1 secs Computing kpt #: 378 total cpu time spent up to now is 186.5 secs Computing kpt #: 379 total cpu time spent up to now is 187.0 secs Computing kpt #: 380 total cpu time spent up to now is 187.4 secs Computing kpt #: 381 total cpu time spent up to now is 187.9 secs Computing kpt #: 382 total cpu time spent up to now is 188.4 secs Computing kpt #: 383 total cpu time spent up to now is 188.8 secs Computing kpt #: 384 total cpu time spent up to now is 189.3 secs Computing kpt #: 385 total cpu time spent up to now is 189.8 secs Computing kpt #: 386 total cpu time spent up to now is 190.3 secs Computing kpt #: 387 total cpu time spent up to now is 190.8 secs Computing kpt #: 388 total cpu time spent up to now is 191.3 secs Computing kpt #: 389 total cpu time spent up to now is 191.8 secs Computing kpt #: 390 total cpu time spent up to now is 192.3 secs Computing kpt #: 391 total cpu time spent up to now is 192.7 secs Computing kpt #: 392 total cpu time spent up to now is 193.2 secs Computing kpt #: 393 total cpu time spent up to now is 193.7 secs Computing kpt #: 394 total cpu time spent up to now is 194.1 secs Computing kpt #: 395 total cpu time spent up to now is 194.6 secs Computing kpt #: 396 total cpu time spent up to now is 195.1 secs Computing kpt #: 397 total cpu time spent up to now is 195.5 secs Computing kpt #: 398 total cpu time spent up to now is 196.0 secs Computing kpt #: 399 total cpu time spent up to now is 196.4 secs Computing kpt #: 400 total cpu time spent up to now is 196.9 secs Computing kpt #: 401 total cpu time spent up to now is 197.3 secs Computing kpt #: 402 total cpu time spent up to now is 197.8 secs ethr = 1.79E-08, avg # of iterations = 16.9 total cpu time spent up to now is 197.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3829 PWs) bands (ev): -5.4830 -5.4830 -5.0151 -5.0151 2.0869 2.0869 2.8407 2.8407 3.3698 3.3698 4.0790 4.0790 4.1276 4.1276 4.1862 4.1862 4.3289 4.3289 4.3417 4.3417 4.4056 4.4056 4.5821 4.5821 4.7254 4.7254 4.9271 4.9271 5.2184 5.2184 5.2190 5.2190 5.5019 5.5019 5.5791 5.5791 6.3266 6.3266 6.4728 6.4728 6.5571 6.5571 6.6817 6.6817 6.7502 6.7502 7.0492 7.0492 8.5919 8.5919 8.6405 8.6405 8.9065 8.9065 9.2005 9.2005 9.8289 9.8289 10.1776 10.1776 13.4522 13.4522 13.5540 13.5540 13.9719 13.9719 14.5903 14.5903 k = 0.0064 0.0104-0.0000 ( 3833 PWs) bands (ev): -5.4824 -5.4824 -5.0146 -5.0146 2.0873 2.0873 2.8409 2.8409 3.3684 3.3684 4.0791 4.0791 4.1247 4.1247 4.1870 4.1870 4.3176 4.3176 4.3530 4.3530 4.4066 4.4066 4.5829 4.5829 4.7257 4.7257 4.9263 4.9263 5.2181 5.2181 5.2197 5.2197 5.5016 5.5016 5.5797 5.5797 6.3272 6.3272 6.4724 6.4724 6.5573 6.5573 6.6815 6.6815 6.7504 6.7504 7.0499 7.0499 8.5779 8.5779 8.6500 8.6500 8.9044 8.9044 9.1922 9.1922 9.8285 9.8285 10.1876 10.1876 13.4500 13.4500 13.5522 13.5522 13.9781 13.9781 14.5943 14.5943 k = 0.0127 0.0208-0.0000 ( 3833 PWs) bands (ev): -5.4807 -5.4807 -5.0131 -5.0131 2.0882 2.0882 2.8416 2.8416 3.3642 3.3642 4.0793 4.0793 4.1161 4.1161 4.1890 4.1890 4.3030 4.3030 4.3677 4.3677 4.4097 4.4097 4.5852 4.5852 4.7264 4.7264 4.9238 4.9238 5.2181 5.2181 5.2210 5.2210 5.5007 5.5007 5.5815 5.5815 6.3292 6.3292 6.4712 6.4712 6.5581 6.5581 6.6809 6.6809 6.7509 6.7509 7.0517 7.0517 8.5488 8.5488 8.6655 8.6655 8.8982 8.8982 9.1685 9.1685 9.8274 9.8274 10.2167 10.2167 13.4437 13.4437 13.5471 13.5471 13.9963 13.9963 14.6062 14.6062 k = 0.0191 0.0313-0.0000 ( 3831 PWs) bands (ev): -5.4778 -5.4778 -5.0105 -5.0105 2.0899 2.0899 2.8426 2.8426 3.3573 3.3573 4.0792 4.0792 4.1026 4.1026 4.1916 4.1916 4.2904 4.2904 4.3800 4.3800 4.4156 4.4156 4.5889 4.5889 4.7275 4.7275 4.9198 4.9198 5.2184 5.2184 5.2227 5.2227 5.4990 5.4990 5.5845 5.5845 6.3326 6.3326 6.4693 6.4693 6.5595 6.5595 6.6799 6.6799 6.7518 6.7518 7.0549 7.0549 8.5133 8.5133 8.6785 8.6785 8.8878 8.8878 9.1319 9.1319 9.8260 9.8260 10.2623 10.2623 13.4331 13.4331 13.5392 13.5392 14.0259 14.0259 14.6261 14.6261 k = 0.0254 0.0417-0.0000 ( 3839 PWs) bands (ev): -5.4737 -5.4737 -5.0070 -5.0070 2.0921 2.0921 2.8440 2.8440 3.3476 3.3476 4.0750 4.0750 4.0882 4.0882 4.1945 4.1945 4.2809 4.2809 4.3889 4.3889 4.4246 4.4246 4.5942 4.5942 4.7291 4.7291 4.9145 4.9145 5.2190 5.2190 5.2247 5.2247 5.4966 5.4966 5.5889 5.5889 6.3371 6.3371 6.4666 6.4666 6.5613 6.5613 6.6785 6.6785 6.7530 6.7530 7.0594 7.0594 8.4731 8.4731 8.6869 8.6869 8.8733 8.8733 9.0855 9.0855 9.8245 9.8245 10.3215 10.3215 13.4183 13.4183 13.5293 13.5293 14.0656 14.0656 14.6537 14.6537 k = 0.0318 0.0521-0.0000 ( 3839 PWs) bands (ev): -5.4685 -5.4685 -5.0025 -5.0025 2.0950 2.0950 2.8458 2.8458 3.3353 3.3353 4.0551 4.0551 4.0848 4.0848 4.1972 4.1972 4.2747 4.2747 4.3951 4.3951 4.4357 4.4357 4.6009 4.6009 4.7312 4.7312 4.9078 4.9078 5.2199 5.2199 5.2269 5.2269 5.4934 5.4934 5.5947 5.5947 6.3429 6.3429 6.4631 6.4631 6.5636 6.5636 6.6768 6.6768 6.7545 6.7545 7.0651 7.0651 8.4292 8.4292 8.6900 8.6900 8.8543 8.8543 9.0324 9.0324 9.8234 9.8234 10.3912 10.3912 13.3992 13.3992 13.5182 13.5182 14.1146 14.1146 14.6889 14.6889 k = 0.0381 0.0625-0.0000 ( 3839 PWs) bands (ev): -5.4622 -5.4622 -4.9970 -4.9970 2.0984 2.0984 2.8479 2.8479 3.3204 3.3204 4.0274 4.0274 4.0853 4.0853 4.1997 4.1997 4.2719 4.2719 4.3999 4.3999 4.4474 4.4474 4.6088 4.6088 4.7338 4.7338 4.9001 4.9001 5.2210 5.2210 5.2294 5.2294 5.4895 5.4895 5.6019 5.6019 6.3501 6.3501 6.4588 6.4588 6.5665 6.5665 6.6748 6.6748 6.7563 6.7563 7.0720 7.0720 8.3817 8.3817 8.6872 8.6872 8.8307 8.8307 8.9756 8.9756 9.8233 9.8233 10.4693 10.4693 13.3759 13.3759 13.5064 13.5064 14.1719 14.1719 14.7313 14.7313 k = 0.0445 0.0729-0.0000 ( 3833 PWs) bands (ev): -5.4548 -5.4548 -4.9905 -4.9905 2.1025 2.1025 2.8503 2.8503 3.3031 3.3031 3.9958 3.9958 4.0864 4.0864 4.2017 4.2017 4.2718 4.2718 4.4043 4.4043 4.4592 4.4592 4.6180 4.6180 4.7368 4.7368 4.8917 4.8917 5.2223 5.2223 5.2322 5.2322 5.4848 5.4848 5.6103 5.6103 6.3583 6.3583 6.4539 6.4539 6.5698 6.5698 6.6726 6.6726 6.7582 6.7582 7.0799 7.0799 8.3312 8.3312 8.6780 8.6780 8.8020 8.8020 8.9175 8.9175 9.8247 9.8247 10.5538 10.5538 13.3482 13.3482 13.4942 13.4942 14.2364 14.2364 14.7805 14.7805 k = 0.0508 0.0833-0.0000 ( 3827 PWs) bands (ev): -5.4463 -5.4463 -4.9832 -4.9832 2.1071 2.1071 2.8530 2.8530 3.2834 3.2834 3.9614 3.9614 4.0876 4.0876 4.2035 4.2035 4.2739 4.2739 4.4084 4.4084 4.4706 4.4706 4.6280 4.6280 4.7403 4.7403 4.8826 4.8826 5.2236 5.2236 5.2350 5.2350 5.4795 5.4795 5.6201 5.6201 6.3674 6.3674 6.4484 6.4484 6.5735 6.5735 6.6704 6.6704 6.7604 6.7604 7.0887 7.0887 8.2779 8.2779 8.6618 8.6618 8.7674 8.7674 8.8607 8.8607 9.8282 9.8282 10.6435 10.6435 13.3162 13.3162 13.4818 13.4818 14.3075 14.3075 14.8353 14.8353 k = 0.0572 0.0938-0.0000 ( 3829 PWs) bands (ev): -5.4367 -5.4367 -4.9749 -4.9749 2.1122 2.1122 2.8558 2.8558 3.2614 3.2614 3.9248 3.9248 4.0887 4.0887 4.2052 4.2052 4.2775 4.2775 4.4125 4.4125 4.4817 4.4817 4.6388 4.6388 4.7444 4.7444 4.8733 4.8733 5.2249 5.2249 5.2380 5.2380 5.4737 5.4737 5.6310 5.6310 6.3773 6.3773 6.4424 6.4424 6.5775 6.5775 6.6681 6.6681 6.7628 6.7628 7.0985 7.0985 8.2221 8.2221 8.6378 8.6378 8.7263 8.7263 8.8076 8.8076 9.8343 9.8343 10.7373 10.7373 13.2798 13.2798 13.4694 13.4694 14.3841 14.3841 14.8924 14.8924 k = 0.0635 0.1042-0.0000 ( 3837 PWs) bands (ev): -5.4261 -5.4261 -4.9657 -4.9657 2.1178 2.1178 2.8587 2.8587 3.2372 3.2372 3.8865 3.8865 4.0896 4.0896 4.2066 4.2066 4.2824 4.2824 4.4166 4.4166 4.4927 4.4927 4.6502 4.6502 4.7489 4.7489 4.8640 4.8640 5.2263 5.2263 5.2410 5.2410 5.4674 5.4674 5.6428 5.6428 6.3873 6.3873 6.4362 6.4362 6.5818 6.5818 6.6659 6.6659 6.7652 6.7652 7.1092 7.1092 8.1641 8.1641 8.6049 8.6049 8.6801 8.6801 8.7589 8.7589 9.8434 9.8434 10.8347 10.8347 13.2389 13.2389 13.4570 13.4570 14.4654 14.4654 14.9362 14.9362 k = 0.0699 0.1146-0.0000 ( 3829 PWs) bands (ev): -5.4146 -5.4146 -4.9557 -4.9557 2.1238 2.1238 2.8617 2.8617 3.2111 3.2111 3.8470 3.8470 4.0902 4.0902 4.2082 4.2082 4.2880 4.2880 4.4208 4.4208 4.5038 4.5038 4.6619 4.6619 4.7539 4.7539 4.8553 4.8553 5.2275 5.2275 5.2442 5.2442 5.4608 5.4608 5.6555 5.6555 6.3966 6.3966 6.4309 6.4309 6.5861 6.5861 6.6640 6.6640 6.7679 6.7679 7.1206 7.1206 8.1043 8.1043 8.5620 8.5620 8.6322 8.6322 8.7132 8.7132 9.8560 9.8560 10.9349 10.9349 13.1936 13.1936 13.4448 13.4448 14.5500 14.5500 14.9086 14.9086 k = 0.0762 0.1250-0.0000 ( 3837 PWs) bands (ev): -5.4020 -5.4020 -4.9449 -4.9449 2.1304 2.1304 2.8645 2.8645 3.1831 3.1831 3.8067 3.8067 4.0904 4.0904 4.2097 4.2097 4.2940 4.2940 4.4249 4.4249 4.5147 4.5147 4.6738 4.6738 4.7594 4.7594 4.8474 4.8474 5.2287 5.2287 5.2474 5.2474 5.4540 5.4540 5.6689 5.6689 6.4017 6.4017 6.4297 6.4297 6.5904 6.5904 6.6628 6.6628 6.7706 6.7706 7.1325 7.1325 8.0427 8.0427 8.5104 8.5104 8.5845 8.5845 8.6680 8.6680 9.8721 9.8721 11.0377 11.0377 13.1436 13.1436 13.4327 13.4327 14.6358 14.6358 14.8402 14.8402 k = 0.0826 0.1354-0.0000 ( 3837 PWs) bands (ev): -5.3886 -5.3886 -4.9334 -4.9334 2.1372 2.1372 2.8672 2.8672 3.1535 3.1535 3.7659 3.7659 4.0901 4.0901 4.2113 4.2113 4.3001 4.3001 4.4291 4.4291 4.5258 4.5258 4.6858 4.6858 4.7652 4.7652 4.8410 4.8410 5.2299 5.2299 5.2506 5.2506 5.4473 5.4473 5.6829 5.6829 6.3991 6.3991 6.4358 6.4358 6.5942 6.5942 6.6626 6.6626 6.7734 6.7734 7.1451 7.1451 7.9799 7.9799 8.4532 8.4532 8.5362 8.5362 8.6221 8.6221 9.8920 9.8920 11.1426 11.1426 13.0890 13.0890 13.4208 13.4208 14.7075 14.7075 14.7812 14.7812 k = 0.0889 0.1458-0.0000 ( 3841 PWs) bands (ev): -5.3743 -5.3743 -4.9211 -4.9211 2.1444 2.1444 2.8696 2.8696 3.1224 3.1224 3.7250 3.7250 4.0892 4.0892 4.2130 4.2130 4.3062 4.3062 4.4332 4.4332 4.5370 4.5370 4.6977 4.6977 4.7710 4.7710 4.8368 4.8368 5.2309 5.2309 5.2539 5.2539 5.4406 5.4406 5.6972 5.6972 6.3916 6.3916 6.4463 6.4463 6.5971 6.5971 6.6638 6.6638 6.7765 6.7765 7.1581 7.1581 7.9159 7.9159 8.3933 8.3933 8.4859 8.4859 8.5747 8.5747 9.9157 9.9157 11.2494 11.2494 13.0296 13.0296 13.4091 13.4091 14.6691 14.6691 14.8316 14.8316 k = 0.0953 0.1563-0.0000 ( 3833 PWs) bands (ev): -5.3592 -5.3592 -4.9081 -4.9081 2.1519 2.1519 2.8716 2.8716 3.0900 3.0900 3.6841 3.6841 4.0876 4.0876 4.2147 4.2147 4.3120 4.3120 4.4372 4.4372 4.5483 4.5483 4.7095 4.7095 4.7764 4.7764 4.8358 4.8358 5.2320 5.2320 5.2574 5.2574 5.4341 5.4341 5.7119 5.7119 6.3823 6.3823 6.4581 6.4581 6.5988 6.5988 6.6668 6.6668 6.7799 6.7799 7.1716 7.1716 7.8511 7.8511 8.3325 8.3325 8.4333 8.4333 8.5256 8.5256 9.9431 9.9431 11.3579 11.3579 12.9654 12.9654 13.3977 13.3977 14.5936 14.5936 14.9100 14.9100 k = 0.1016 0.1667-0.0000 ( 3831 PWs) bands (ev): -5.3433 -5.3433 -4.8945 -4.8945 2.1597 2.1597 2.8729 2.8729 3.0566 3.0566 3.6437 3.6437 4.0853 4.0853 4.2165 4.2165 4.3173 4.3173 4.4409 4.4409 4.5595 4.5595 4.7210 4.7210 4.7808 4.7808 4.8387 4.8387 5.2332 5.2332 5.2608 5.2608 5.4280 5.4280 5.7267 5.7267 6.3719 6.3719 6.4700 6.4700 6.5991 6.5991 6.6717 6.6717 6.7839 6.7839 7.1852 7.1852 7.7857 7.7857 8.2718 8.2718 8.3783 8.3783 8.4746 8.4746 9.9743 9.9743 11.4678 11.4678 12.8963 12.8963 13.3865 13.3865 14.5160 14.5160 14.8875 14.8875 k = 0.1080 0.1771-0.0000 ( 3835 PWs) bands (ev): -5.3267 -5.3267 -4.8803 -4.8803 2.1677 2.1677 2.8735 2.8735 3.0223 3.0223 3.6039 3.6039 4.0822 4.0822 4.2182 4.2182 4.3219 4.3219 4.4443 4.4443 4.5708 4.5708 4.7323 4.7323 4.7843 4.7843 4.8458 4.8458 5.2344 5.2344 5.2644 5.2644 5.4223 5.4223 5.7415 5.7415 6.3608 6.3608 6.4814 6.4814 6.5981 6.5981 6.6782 6.6782 6.7888 6.7888 7.1990 7.1990 7.7199 7.7199 8.2117 8.2117 8.3213 8.3213 8.4219 8.4219 10.0090 10.0090 11.5790 11.5790 12.8222 12.8222 13.3755 13.3755 14.4390 14.4390 14.8537 14.8537 k = 0.1143 0.1875-0.0000 ( 3829 PWs) bands (ev): -5.3095 -5.3095 -4.8656 -4.8656 2.1759 2.1759 2.8730 2.8730 2.9876 2.9876 3.5650 3.5650 4.0784 4.0784 4.2198 4.2198 4.3256 4.3256 4.4474 4.4474 4.5821 4.5821 4.7430 4.7430 4.7880 4.7880 4.8564 4.8564 5.2359 5.2359 5.2682 5.2682 5.4172 5.4172 5.7563 5.7563 6.3493 6.3493 6.4920 6.4920 6.5959 6.5959 6.6856 6.6856 6.7953 6.7953 7.2128 7.2128 7.6539 7.6539 8.1525 8.1525 8.2628 8.2628 8.3677 8.3677 10.0473 10.0473 11.6914 11.6914 12.7431 12.7431 13.3648 13.3648 14.3633 14.3633 14.8216 14.8216 k = 0.1207 0.1979-0.0000 ( 3831 PWs) bands (ev): -5.2916 -5.2916 -4.8504 -4.8504 2.1842 2.1842 2.8708 2.8708 2.9529 2.9529 3.5273 3.5273 4.0738 4.0738 4.2212 4.2212 4.3285 4.3285 4.4501 4.4501 4.5934 4.5934 4.7528 4.7528 4.7930 4.7930 4.8698 4.8698 5.2375 5.2375 5.2721 5.2721 5.4127 5.4127 5.7709 5.7709 6.3374 6.3374 6.5015 6.5015 6.5930 6.5930 6.6929 6.6929 6.8042 6.8042 7.2265 7.2265 7.5879 7.5879 8.0943 8.0943 8.2033 8.2033 8.3122 8.3122 10.0890 10.0890 11.8047 11.8047 12.6590 12.6590 13.3545 13.3545 14.2896 14.2896 14.7920 14.7920 k = 0.1270 0.2083-0.0000 ( 3831 PWs) bands (ev): -5.2732 -5.2732 -4.8348 -4.8348 2.1926 2.1926 2.8658 2.8658 2.9197 2.9197 3.4910 3.4910 4.0686 4.0686 4.2222 4.2222 4.3303 4.3303 4.4525 4.4525 4.6046 4.6046 4.7611 4.7611 4.8005 4.8005 4.8851 4.8851 5.2395 5.2395 5.2763 5.2763 5.4089 5.4089 5.7852 5.7852 6.3253 6.3253 6.5097 6.5097 6.5894 6.5894 6.6991 6.6991 6.8163 6.8163 7.2399 7.2399 7.5221 7.5221 8.0371 8.0371 8.1434 8.1434 8.2557 8.2557 10.1339 10.1339 11.9188 11.9188 12.5701 12.5701 13.3445 13.3445 14.2181 14.2181 14.7648 14.7648 k = 0.1334 0.2188-0.0000 ( 3829 PWs) bands (ev): -5.2544 -5.2544 -4.8189 -4.8189 2.2010 2.2010 2.8537 2.8537 2.8921 2.8921 3.4564 3.4564 4.0627 4.0627 4.2228 4.2228 4.3310 4.3310 4.4546 4.4546 4.6159 4.6159 4.7678 4.7678 4.8108 4.8108 4.9019 4.9019 5.2418 5.2418 5.2806 5.2806 5.4061 5.4061 5.7992 5.7992 6.3133 6.3133 6.5165 6.5165 6.5854 6.5854 6.7032 6.7032 6.8321 6.8321 7.2529 7.2529 7.4569 7.4569 7.9810 7.9810 8.0837 8.0837 8.1986 8.1986 10.1821 10.1821 12.0335 12.0335 12.4764 12.4764 13.3349 13.3349 14.1493 14.1493 14.6564 14.6564 k = 0.1397 0.2292-0.0000 ( 3825 PWs) bands (ev): -5.2351 -5.2351 -4.8026 -4.8026 2.2095 2.2095 2.8289 2.8289 2.8759 2.8759 3.4237 3.4237 4.0562 4.0562 4.2226 4.2226 4.3308 4.3308 4.4567 4.4567 4.6271 4.6271 4.7736 4.7736 4.8236 4.8236 4.9197 4.9197 5.2446 5.2446 5.2853 5.2853 5.4042 5.4042 5.8128 5.8128 6.3014 6.3014 6.5218 6.5218 6.5811 6.5811 6.7050 6.7050 6.8520 6.8520 7.2649 7.2649 7.3929 7.3929 7.9258 7.9258 8.0249 8.0249 8.1411 8.1411 10.2334 10.2334 12.1485 12.1485 12.3784 12.3784 13.3257 13.3257 14.0833 14.0833 14.5347 14.5347 k = 0.1461 0.2396-0.0000 ( 3820 PWs) bands (ev): -5.2155 -5.2155 -4.7862 -4.7862 2.2179 2.2179 2.7967 2.7967 2.8659 2.8659 3.3930 3.3930 4.0492 4.0492 4.2217 4.2217 4.3296 4.3296 4.4588 4.4588 4.6382 4.6382 4.7790 4.7790 4.8380 4.8380 4.9382 4.9382 5.2479 5.2479 5.2903 5.2903 5.4034 5.4034 5.8260 5.8260 6.2898 6.2898 6.5255 6.5255 6.5765 6.5765 6.7043 6.7043 6.8755 6.8755 7.2728 7.2728 7.3334 7.3334 7.8713 7.8713 7.9677 7.9677 8.0836 8.0836 10.2876 10.2876 12.2579 12.2579 12.2820 12.2820 13.3170 13.3170 14.0204 14.0204 14.4195 14.4195 k = 0.1524 0.2500-0.0000 ( 3818 PWs) bands (ev): -5.1956 -5.1956 -4.7696 -4.7696 2.2263 2.2263 2.7626 2.7626 2.8567 2.8567 3.3644 3.3644 4.0417 4.0417 4.2197 4.2197 4.3278 4.3278 4.4611 4.4611 4.6490 4.6490 4.7844 4.7844 4.8534 4.8534 4.9569 4.9569 5.2518 5.2518 5.2956 5.2956 5.4037 5.4037 5.8389 5.8389 6.2785 6.2785 6.5278 6.5278 6.5715 6.5715 6.7016 6.7016 6.9023 6.9023 7.2508 7.2508 7.3045 7.3045 7.8171 7.8171 7.9125 7.9125 8.0266 8.0266 10.3448 10.3448 12.1683 12.1683 12.3806 12.3806 13.3087 13.3087 13.9608 13.9608 14.3105 14.3105 k = 0.1588 0.2604-0.0000 ( 3826 PWs) bands (ev): -5.1755 -5.1755 -4.7529 -4.7529 2.2345 2.2345 2.7283 2.7283 2.8466 2.8466 3.3381 3.3381 4.0337 4.0337 4.2166 4.2166 4.3254 4.3254 4.4636 4.4636 4.6595 4.6595 4.7902 4.7902 4.8693 4.8693 4.9758 4.9758 5.2563 5.2563 5.3012 5.3012 5.4054 5.4054 5.8512 5.8512 6.2677 6.2677 6.5287 6.5287 6.5659 6.5659 6.6970 6.6970 6.9313 6.9313 7.1952 7.1952 7.3102 7.3102 7.7630 7.7630 7.8599 7.8599 7.9704 7.9704 10.4049 10.4049 12.0586 12.0586 12.4956 12.4956 13.3010 13.3010 13.9046 13.9046 14.2077 14.2077 k = 0.1651 0.2708-0.0000 ( 3834 PWs) bands (ev): -5.1554 -5.1554 -4.7362 -4.7362 2.2427 2.2427 2.6945 2.6945 2.8353 2.8353 3.3141 3.3141 4.0252 4.0252 4.2123 4.2123 4.3226 4.3226 4.4664 4.4664 4.6694 4.6694 4.7965 4.7965 4.8852 4.8852 4.9946 4.9946 5.2616 5.2616 5.3071 5.3071 5.4086 5.4086 5.8631 5.8631 6.2577 6.2577 6.5284 6.5284 6.5596 6.5596 6.6909 6.6909 6.9606 6.9606 7.1384 7.1384 7.3202 7.3202 7.7091 7.7091 7.8101 7.8101 7.9155 7.9155 10.4678 10.4678 11.9457 11.9457 12.6102 12.6102 13.2938 13.2938 13.8520 13.8520 14.1108 14.1108 k = 0.1715 0.2813-0.0000 ( 3838 PWs) bands (ev): -5.1351 -5.1351 -4.7196 -4.7196 2.2506 2.2506 2.6617 2.6617 2.8228 2.8228 3.2923 3.2923 4.0163 4.0163 4.2068 4.2068 4.3197 4.3197 4.4696 4.4696 4.6786 4.6786 4.8032 4.8032 4.9010 4.9010 5.0131 5.0131 5.2675 5.2675 5.3133 5.3133 5.4134 5.4134 5.8747 5.8747 6.2485 6.2485 6.5272 6.5272 6.5522 6.5522 6.6837 6.6837 6.9831 6.9831 7.0912 7.0912 7.3305 7.3305 7.6555 7.6555 7.7629 7.7629 7.8624 7.8624 10.5334 10.5334 11.8302 11.8302 12.7240 12.7240 13.2873 13.2873 13.8031 13.8031 14.0196 14.0196 k = 0.1778 0.2917-0.0000 ( 3846 PWs) bands (ev): -5.1149 -5.1149 -4.7031 -4.7031 2.2584 2.2584 2.6299 2.6299 2.8091 2.8091 3.2725 3.2725 4.0071 4.0071 4.2001 4.2001 4.3168 4.3168 4.4730 4.4730 4.6869 4.6869 4.8104 4.8104 4.9162 4.9162 5.0312 5.0312 5.2741 5.2741 5.3197 5.3197 5.4201 5.4201 5.8859 5.8859 6.2402 6.2402 6.5251 6.5251 6.5434 6.5434 6.6755 6.6755 6.9732 6.9732 7.0797 7.0797 7.3404 7.3404 7.6025 7.6025 7.7180 7.7180 7.8119 7.8119 10.6018 10.6018 11.7127 11.7127 12.8364 12.8364 13.2815 13.2815 13.7581 13.7581 13.9337 13.9337 k = 0.1842 0.3021-0.0000 ( 3834 PWs) bands (ev): -5.0949 -5.0949 -4.6868 -4.6868 2.2659 2.2659 2.5996 2.5996 2.7943 2.7943 3.2548 3.2548 3.9975 3.9975 4.1924 4.1924 4.3139 4.3139 4.4767 4.4767 4.6945 4.6945 4.8179 4.8179 4.9307 4.9307 5.0487 5.0487 5.2815 5.2815 5.3263 5.3263 5.4289 5.4289 5.8969 5.8969 6.2330 6.2330 6.5224 6.5224 6.5331 6.5331 6.6668 6.6668 6.9291 6.9291 7.1060 7.1060 7.3499 7.3499 7.5506 7.5506 7.6745 7.6745 7.7648 7.7648 10.6727 10.6727 11.5937 11.5937 12.9470 12.9470 13.2764 13.2764 13.7169 13.7169 13.8530 13.8530 k = 0.1905 0.3125-0.0000 ( 3834 PWs) bands (ev): -5.0749 -5.0749 -4.6707 -4.6707 2.2731 2.2731 2.5708 2.5708 2.7787 2.7787 3.2388 3.2388 3.9875 3.9875 4.1838 4.1838 4.3110 4.3110 4.4806 4.4806 4.7012 4.7012 4.8254 4.8254 4.9442 4.9442 5.0657 5.0657 5.2895 5.2895 5.3327 5.3327 5.4397 5.4397 5.9076 5.9076 6.2268 6.2268 6.5179 6.5179 6.5223 6.5223 6.6574 6.6574 6.8763 6.8763 7.1442 7.1442 7.3583 7.3583 7.5006 7.5006 7.6318 7.6318 7.7217 7.7217 10.7463 10.7463 11.4737 11.4737 13.0550 13.0550 13.2721 13.2721 13.6797 13.6797 13.7771 13.7771 k = 0.1969 0.3229-0.0000 ( 3838 PWs) bands (ev): -5.0553 -5.0553 -4.6550 -4.6550 2.2800 2.2800 2.5438 2.5438 2.7624 2.7624 3.2244 3.2244 3.9772 3.9772 4.1745 4.1745 4.3080 4.3080 4.4846 4.4846 4.7071 4.7071 4.8328 4.8328 4.9567 4.9567 5.0820 5.0820 5.2981 5.2981 5.3391 5.3391 5.4526 5.4526 5.9181 5.9181 6.2218 6.2218 6.5054 6.5054 6.5171 6.5171 6.6476 6.6476 6.8228 6.8228 7.1861 7.1861 7.3654 7.3654 7.4537 7.4537 7.5893 7.5893 7.6834 7.6834 10.8224 10.8224 11.3533 11.3533 13.1595 13.1595 13.2688 13.2688 13.6465 13.6465 13.7057 13.7057 k = 0.2032 0.3333-0.0000 ( 3846 PWs) bands (ev): -5.0360 -5.0360 -4.6397 -4.6397 2.2865 2.2865 2.5187 2.5187 2.7458 2.7458 3.2114 3.2114 3.9664 3.9664 4.1647 4.1647 4.3050 4.3050 4.4888 4.4888 4.7122 4.7122 4.8398 4.8398 4.9680 4.9680 5.0977 5.0977 5.3071 5.3071 5.3453 5.3453 5.4675 5.4675 5.9284 5.9284 6.2179 6.2179 6.4892 6.4892 6.5132 6.5132 6.6373 6.6373 6.7707 6.7707 7.2279 7.2279 7.3686 7.3686 7.4146 7.4146 7.5470 7.5470 7.6498 7.6498 10.9011 10.9011 11.2329 11.2329 13.2530 13.2530 13.2733 13.2733 13.6172 13.6172 13.6387 13.6387 k = 0.2096 0.3438-0.0000 ( 3850 PWs) bands (ev): -5.0171 -5.0171 -4.6249 -4.6249 2.2926 2.2926 2.4957 2.4957 2.7289 2.7289 3.1997 3.1997 3.9553 3.9553 4.1546 4.1546 4.3018 4.3018 4.4930 4.4930 4.7166 4.7166 4.8462 4.8462 4.9780 4.9780 5.1130 5.1130 5.3166 5.3166 5.3513 5.3513 5.4843 5.4843 5.9385 5.9385 6.2153 6.2153 6.4711 6.4711 6.5092 6.5092 6.6260 6.6260 6.7215 6.7215 7.2615 7.2615 7.3604 7.3604 7.3982 7.3982 7.5052 7.5052 7.6209 7.6209 10.9821 10.9821 11.1131 11.1131 13.2620 13.2620 13.3577 13.3577 13.5756 13.5756 13.5922 13.5922 k = 0.2159 0.3542-0.0000 ( 3840 PWs) bands (ev): -4.9986 -4.9986 -4.6105 -4.6105 2.2982 2.2982 2.4750 2.4750 2.7119 2.7119 3.1892 3.1892 3.9439 3.9439 4.1444 4.1444 4.2986 4.2986 4.4973 4.4973 4.7204 4.7204 4.8518 4.8518 4.9868 4.9868 5.1278 5.1278 5.3265 5.3265 5.3573 5.3573 5.5027 5.5027 5.9482 5.9482 6.2138 6.2138 6.4513 6.4513 6.5046 6.5046 6.6129 6.6129 6.6771 6.6771 7.2637 7.2637 7.3626 7.3626 7.4050 7.4050 7.4649 7.4649 7.5963 7.5963 10.9942 10.9942 11.0658 11.0658 13.2614 13.2614 13.4443 13.4443 13.5188 13.5188 13.5709 13.5709 k = 0.2223 0.3646-0.0000 ( 3844 PWs) bands (ev): -4.9807 -4.9807 -4.5968 -4.5968 2.3032 2.3032 2.4568 2.4568 2.6948 2.6948 3.1800 3.1800 3.9319 3.9319 4.1342 4.1342 4.2951 4.2951 4.5015 4.5015 4.7236 4.7236 4.8563 4.8563 4.9944 4.9944 5.1421 5.1421 5.3364 5.3364 5.3634 5.3634 5.5225 5.5225 5.9575 5.9575 6.2134 6.2134 6.4302 6.4302 6.4987 6.4987 6.5951 6.5951 6.6412 6.6412 7.2355 7.2355 7.3756 7.3756 7.4261 7.4261 7.4329 7.4329 7.5763 7.5763 10.8768 10.8768 11.1516 11.1516 13.2613 13.2613 13.4555 13.4555 13.5336 13.5336 13.5537 13.5537 k = 0.2286 0.3750-0.0000 ( 3836 PWs) bands (ev): -4.9633 -4.9633 -4.5836 -4.5836 2.3076 2.3076 2.4411 2.4411 2.6778 2.6778 3.1721 3.1721 3.9196 3.9196 4.1241 4.1241 4.2915 4.2915 4.5057 4.5057 4.7263 4.7263 4.8597 4.8597 5.0007 5.0007 5.1560 5.1560 5.3463 5.3463 5.3698 5.3698 5.5435 5.5435 5.9662 5.9662 6.2141 6.2141 6.4081 6.4081 6.4902 6.4902 6.5715 6.5715 6.6173 6.6173 7.1991 7.1991 7.3680 7.3680 7.4047 7.4047 7.4728 7.4728 7.5631 7.5631 10.7613 10.7613 11.2397 11.2397 13.2621 13.2621 13.4053 13.4053 13.5401 13.5401 13.6046 13.6046 k = 0.2350 0.3854-0.0000 ( 3836 PWs) bands (ev): -4.9466 -4.9466 -4.5712 -4.5712 2.3112 2.3112 2.4282 2.4282 2.6607 2.6607 3.1655 3.1655 3.9068 3.9068 4.1142 4.1142 4.2876 4.2876 4.5098 4.5098 4.7285 4.7285 4.8619 4.8619 5.0057 5.0057 5.1695 5.1695 5.3557 5.3557 5.3769 5.3769 5.5652 5.5652 5.9737 5.9737 6.2158 6.2158 6.3854 6.3854 6.4765 6.4765 6.5488 6.5488 6.6012 6.6012 7.1617 7.1617 7.3384 7.3384 7.4006 7.4006 7.5067 7.5067 7.5685 7.5685 10.6480 10.6480 11.3301 11.3301 13.2638 13.2638 13.3567 13.3567 13.5303 13.5303 13.6670 13.6670 k = 0.2413 0.3958-0.0000 ( 3832 PWs) bands (ev): -4.9307 -4.9307 -4.5594 -4.5594 2.3141 2.3141 2.4181 2.4181 2.6435 2.6435 3.1606 3.1606 3.8936 3.8936 4.1046 4.1046 4.2836 4.2836 4.5137 4.5137 4.7301 4.7301 4.8627 4.8627 5.0097 5.0097 5.1823 5.1823 5.3645 5.3645 5.3852 5.3852 5.5875 5.5875 5.9795 5.9795 6.2183 6.2183 6.3628 6.3628 6.4568 6.4568 6.5337 6.5337 6.5881 6.5881 7.1252 7.1252 7.3046 7.3046 7.3998 7.3998 7.5118 7.5118 7.6094 7.6094 10.5376 10.5376 11.4225 11.4225 13.2661 13.2661 13.3115 13.3115 13.5242 13.5242 13.7181 13.7181 k = 0.2477 0.4063-0.0000 ( 3840 PWs) bands (ev): -4.9154 -4.9154 -4.5485 -4.5485 2.3162 2.3162 2.4107 2.4107 2.6261 2.6261 3.1574 3.1574 3.8798 3.8798 4.0954 4.0954 4.2793 4.2793 4.5175 4.5175 4.7313 4.7313 4.8621 4.8621 5.0125 5.0125 5.1944 5.1944 5.3723 5.3723 5.3947 5.3947 5.6101 5.6101 5.9832 5.9832 6.2210 6.2210 6.3411 6.3411 6.4341 6.4341 6.5254 6.5254 6.5761 6.5761 7.0900 7.0900 7.2714 7.2714 7.3981 7.3981 7.5068 7.5068 7.6655 7.6655 10.4303 10.4303 11.5170 11.5170 13.2622 13.2622 13.2763 13.2763 13.5215 13.5215 13.7569 13.7569 k = 0.2540 0.4167-0.0000 ( 3844 PWs) bands (ev): -4.9010 -4.9010 -4.5383 -4.5383 2.3179 2.3179 2.4059 2.4059 2.6083 2.6083 3.1562 3.1562 3.8655 3.8655 4.0867 4.0867 4.2750 4.2750 4.5210 4.5210 4.7319 4.7319 4.8602 4.8602 5.0144 5.0144 5.2052 5.2052 5.3799 5.3799 5.4055 5.4055 5.6329 5.6329 5.9843 5.9843 6.2230 6.2230 6.3221 6.3221 6.4120 6.4120 6.5211 6.5211 6.5644 6.5644 7.0567 7.0567 7.2397 7.2397 7.3950 7.3950 7.5016 7.5016 7.7256 7.7256 10.3268 10.3268 11.6134 11.6134 13.2269 13.2269 13.2768 13.2768 13.5222 13.5222 13.7827 13.7827 k = 0.2604 0.4271-0.0000 ( 3840 PWs) bands (ev): -4.8873 -4.8873 -4.5289 -4.5289 2.3193 2.3193 2.4034 2.4034 2.5900 2.5900 3.1574 3.1574 3.8507 3.8507 4.0785 4.0785 4.2705 4.2705 4.5244 4.5244 4.7320 4.7320 4.8572 4.8572 5.0153 5.0153 5.2147 5.2147 5.3877 5.3877 5.4173 5.4173 5.6556 5.6556 5.9824 5.9824 6.2225 6.2225 6.3082 6.3082 6.3928 6.3928 6.5190 6.5190 6.5531 6.5531 7.0252 7.0252 7.2097 7.2097 7.3905 7.3905 7.4977 7.4977 7.7873 7.7873 10.2277 10.2277 11.7116 11.7116 13.1906 13.1906 13.2822 13.2822 13.5258 13.5258 13.7954 13.7954 k = 0.2667 0.4375-0.0000 ( 3846 PWs) bands (ev): -4.8745 -4.8745 -4.5204 -4.5204 2.3207 2.3207 2.4028 2.4028 2.5711 2.5711 3.1612 3.1612 3.8354 3.8354 4.0709 4.0709 4.2658 4.2658 4.5274 4.5274 4.7314 4.7314 4.8529 4.8529 5.0153 5.0153 5.2222 5.2222 5.3960 5.3960 5.4299 5.4299 5.6780 5.6780 5.9773 5.9773 6.2175 6.2175 6.3018 6.3018 6.3770 6.3770 6.5184 6.5184 6.5422 6.5422 6.9957 6.9957 7.1814 7.1814 7.3848 7.3848 7.4952 7.4952 7.8490 7.8490 10.1334 10.1334 11.8113 11.8113 13.1570 13.1570 13.2889 13.2889 13.5322 13.5322 13.7953 13.7953 k = 0.2731 0.4479-0.0000 ( 3844 PWs) bands (ev): -4.8626 -4.8626 -4.5127 -4.5127 2.3226 2.3226 2.4037 2.4037 2.5516 2.5516 3.1678 3.1678 3.8195 3.8195 4.0638 4.0638 4.2612 4.2612 4.5303 4.5303 4.7302 4.7302 4.8476 4.8476 5.0146 5.0146 5.2276 5.2276 5.4049 5.4049 5.4434 5.4434 5.6999 5.6999 5.9693 5.9693 6.2085 6.2085 6.3023 6.3023 6.3653 6.3653 6.5190 6.5190 6.5318 6.5318 6.9681 6.9681 7.1550 7.1550 7.3784 7.3784 7.4939 7.4939 7.9101 7.9101 10.0449 10.0449 11.9125 11.9125 13.1264 13.1264 13.2966 13.2966 13.5411 13.5411 13.7830 13.7830 k = 0.2794 0.4583-0.0000 ( 3840 PWs) bands (ev): -4.8516 -4.8516 -4.5058 -4.5058 2.3250 2.3250 2.4056 2.4056 2.5315 2.5315 3.1773 3.1773 3.8031 3.8031 4.0574 4.0574 4.2564 4.2564 4.5329 4.5329 4.7283 4.7283 4.8413 4.8413 5.0131 5.0131 5.2307 5.2307 5.4142 5.4142 5.4581 5.4581 5.7211 5.7211 5.9588 5.9588 6.1975 6.1975 6.3067 6.3067 6.3585 6.3585 6.5196 6.5196 6.5230 6.5230 6.9425 6.9425 7.1303 7.1303 7.3716 7.3716 7.4934 7.4934 7.9694 7.9694 9.9629 9.9629 12.0147 12.0147 13.0989 13.0989 13.3054 13.3054 13.5519 13.5519 13.7593 13.7593 k = 0.2858 0.4688-0.0000 ( 3834 PWs) bands (ev): -4.8415 -4.8415 -4.4998 -4.4998 2.3280 2.3280 2.4084 2.4084 2.5110 2.5110 3.1901 3.1901 3.7862 3.7862 4.0516 4.0516 4.2518 4.2518 4.5352 4.5352 4.7255 4.7255 4.8341 4.8341 5.0111 5.0111 5.2315 5.2315 5.4236 5.4236 5.4741 5.4741 5.7414 5.7414 5.9466 5.9466 6.1865 6.1865 6.3111 6.3111 6.3578 6.3578 6.5126 6.5126 6.5240 6.5240 6.9190 6.9190 7.1073 7.1073 7.3645 7.3645 7.4933 7.4933 8.0257 8.0257 9.8885 9.8885 12.1178 12.1178 13.0744 13.0744 13.3150 13.3150 13.5639 13.5639 13.7256 13.7256 k = 0.2921 0.4792-0.0000 ( 3838 PWs) bands (ev): -4.8323 -4.8323 -4.4947 -4.4947 2.3312 2.3312 2.4116 2.4116 2.4907 2.4907 3.2061 3.2061 3.7687 3.7687 4.0464 4.0464 4.2470 4.2470 4.5372 4.5372 4.7218 4.7218 4.8262 4.8262 5.0087 5.0087 5.2301 5.2301 5.4325 5.4325 5.4917 5.4917 5.7600 5.7600 5.9341 5.9341 6.1765 6.1765 6.3132 6.3132 6.3636 6.3636 6.5048 6.5048 6.5278 6.5278 6.8974 6.8974 7.0861 7.0861 7.3575 7.3575 7.4935 7.4935 8.0776 8.0776 9.8229 9.8229 12.2213 12.2213 13.0532 13.0532 13.3254 13.3254 13.5750 13.5750 13.6844 13.6844 k = 0.2985 0.4896-0.0000 ( 3852 PWs) bands (ev): -4.8240 -4.8240 -4.4904 -4.4904 2.3342 2.3342 2.4142 2.4142 2.4720 2.4720 3.2253 3.2253 3.7506 3.7506 4.0419 4.0419 4.2422 4.2422 4.5388 4.5388 4.7172 4.7172 4.8176 4.8176 5.0059 5.0059 5.2267 5.2267 5.4404 5.4404 5.5110 5.5110 5.7764 5.7764 5.9226 5.9226 6.1679 6.1679 6.3132 6.3132 6.3741 6.3741 6.4982 6.4982 6.5330 6.5330 6.8777 6.8777 7.0664 7.0664 7.3506 7.3506 7.4937 7.4937 8.1236 8.1236 9.7674 9.7674 12.3249 12.3249 13.0353 13.0353 13.3366 13.3366 13.5767 13.5767 13.6447 13.6447 k = 0.3048 0.5000-0.0000 ( 3860 PWs) bands (ev): -4.8166 -4.8166 -4.4869 -4.4869 2.3359 2.3359 2.4138 2.4138 2.4584 2.4584 3.2478 3.2478 3.7322 3.7322 4.0381 4.0381 4.2375 4.2375 4.5402 4.5402 4.7116 4.7116 4.8085 4.8085 5.0029 5.0029 5.2216 5.2216 5.4469 5.4469 5.5320 5.5320 5.7894 5.7894 5.9140 5.9140 6.1608 6.1608 6.3129 6.3129 6.3870 6.3870 6.4932 6.4932 6.5396 6.5396 6.8601 6.8601 7.0484 7.0484 7.3440 7.3440 7.4938 7.4938 8.1623 8.1623 9.7234 9.7234 12.4279 12.4279 13.0207 13.0207 13.3483 13.3483 13.5429 13.5429 13.6329 13.6329 k = 0.3112 0.5104-0.0000 ( 3860 PWs) bands (ev): -4.8101 -4.8101 -4.4843 -4.4843 2.3342 2.3342 2.4078 2.4078 2.4546 2.4546 3.2735 3.2735 3.7133 3.7133 4.0351 4.0351 4.2329 4.2329 4.5412 4.5412 4.7050 4.7050 4.7990 4.7990 4.9998 4.9998 5.2152 5.2152 5.4518 5.4518 5.5545 5.5545 5.7972 5.7972 5.9104 5.9104 6.1552 6.1552 6.3129 6.3129 6.4007 6.4007 6.4898 6.4898 6.5480 6.5480 6.8445 6.8445 7.0320 7.0320 7.3378 7.3378 7.4937 7.4937 8.1920 8.1920 9.6922 9.6922 12.5296 12.5296 13.0097 13.0097 13.3600 13.3600 13.4815 13.4815 13.6420 13.6420 k = 0.3175 0.5208-0.0000 ( 3856 PWs) bands (ev): -4.8044 -4.8044 -4.4823 -4.4823 2.3264 2.3264 2.4000 2.4000 2.4594 2.4594 3.3022 3.3022 3.6940 3.6940 4.0327 4.0327 4.2284 4.2284 4.5419 4.5419 4.6975 4.6975 4.7891 4.7891 4.9968 4.9968 5.2077 5.2077 5.4548 5.4548 5.5781 5.5781 5.7991 5.7991 5.9132 5.9132 6.1511 6.1511 6.3135 6.3135 6.4141 6.4141 6.4883 6.4883 6.5581 6.5581 6.8308 6.8308 7.0171 7.0171 7.3321 7.3321 7.4933 7.4933 8.2117 8.2117 9.6747 9.6747 12.6292 12.6292 13.0025 13.0025 13.3673 13.3673 13.4141 13.4141 13.6545 13.6545 k = 0.3239 0.5313-0.0000 ( 3856 PWs) bands (ev): -4.7995 -4.7995 -4.4812 -4.4812 2.3112 2.3112 2.3957 2.3957 2.4691 2.4691 3.3338 3.3338 3.6744 3.6744 4.0311 4.0311 4.2240 4.2240 4.5421 4.5421 4.6889 4.6889 4.7791 4.7791 4.9939 4.9939 5.1993 5.1993 5.4560 5.4560 5.6025 5.6025 5.7958 5.7958 5.9218 5.9218 6.1483 6.1483 6.3149 6.3149 6.4270 6.4270 6.4887 6.4887 6.5702 6.5702 6.8190 6.8190 7.0036 7.0036 7.3270 7.3270 7.4927 7.4927 8.2204 8.2204 9.6713 9.6713 12.7255 12.7255 12.9990 12.9990 13.3199 13.3199 13.3951 13.3951 13.6662 13.6662 k = 0.3302 0.5417-0.0000 ( 3856 PWs) bands (ev): -4.7954 -4.7954 -4.4807 -4.4807 2.2900 2.2900 2.3949 2.3949 2.4819 2.4819 3.3680 3.3680 3.6545 3.6545 4.0302 4.0302 4.2198 4.2198 4.5419 4.5419 4.6794 4.6794 4.7688 4.7688 4.9913 4.9913 5.1904 5.1904 5.4551 5.4551 5.6273 5.6273 5.7895 5.7895 5.9345 5.9345 6.1469 6.1469 6.3170 6.3170 6.4393 6.4393 6.4909 6.4909 6.5841 6.5841 6.8091 6.8091 6.9914 6.9914 7.3227 7.3227 7.4916 7.4916 8.2183 8.2183 9.6817 9.6817 12.8169 12.8169 12.9997 12.9997 13.2374 13.2374 13.4067 13.4067 13.6752 13.6752 k = 0.3366 0.5521-0.0000 ( 3852 PWs) bands (ev): -4.7921 -4.7921 -4.4808 -4.4808 2.2655 2.2655 2.3961 2.3961 2.4969 2.4969 3.4047 3.4047 3.6344 3.6344 4.0299 4.0299 4.2158 4.2158 4.5412 4.5412 4.6691 4.6691 4.7586 4.7586 4.9888 4.9888 5.1811 5.1811 5.4522 5.4522 5.6519 5.6519 5.7822 5.7822 5.9495 5.9495 6.1468 6.1468 6.3199 6.3199 6.4510 6.4510 6.4949 6.4949 6.5995 6.5995 6.8009 6.8009 6.9806 6.9806 7.3192 7.3192 7.4900 7.4900 8.2058 8.2058 9.7051 9.7051 12.9003 12.9003 13.0046 13.0046 13.1502 13.1502 13.4206 13.4206 13.6800 13.6800 k = 0.3429 0.5625-0.0000 ( 3844 PWs) bands (ev): -4.7895 -4.7895 -4.4815 -4.4815 2.2391 2.2391 2.3981 2.3981 2.5139 2.5139 3.4434 3.4434 3.6143 3.6143 4.0304 4.0304 4.2120 4.2120 4.5400 4.5400 4.6581 4.6581 4.7486 4.7486 4.9867 4.9867 5.1717 5.1717 5.4474 5.4474 5.6755 5.6755 5.7754 5.7754 5.9658 5.9658 6.1483 6.1483 6.3236 6.3236 6.4623 6.4623 6.5005 6.5005 6.6164 6.6164 6.7945 6.7945 6.9711 6.9711 7.3168 7.3168 7.4879 7.4879 8.1844 8.1844 9.7396 9.7396 12.9617 12.9617 13.0144 13.0144 13.0721 13.0721 13.4352 13.4352 13.6792 13.6792 k = 0.3429 0.5625-0.0000 ( 3844 PWs) bands (ev): -4.7895 -4.7895 -4.4815 -4.4815 2.2391 2.2391 2.3981 2.3981 2.5139 2.5139 3.4434 3.4434 3.6143 3.6143 4.0304 4.0304 4.2120 4.2120 4.5400 4.5400 4.6581 4.6581 4.7486 4.7486 4.9867 4.9867 5.1717 5.1717 5.4474 5.4474 5.6755 5.6755 5.7754 5.7754 5.9658 5.9658 6.1483 6.1483 6.3236 6.3236 6.4623 6.4623 6.5005 6.5005 6.6164 6.6164 6.7945 6.7945 6.9711 6.9711 7.3168 7.3168 7.4879 7.4879 8.1844 8.1844 9.7396 9.7396 12.9617 12.9617 13.0144 13.0144 13.0721 13.0721 13.4352 13.4352 13.6792 13.6792 k = 0.3307 0.5625-0.0000 ( 3850 PWs) bands (ev): -4.7911 -4.7911 -4.4813 -4.4813 2.2516 2.2516 2.3971 2.3971 2.5063 2.5063 3.4211 3.4211 3.6272 3.6272 4.0304 4.0304 4.2139 4.2139 4.5407 4.5407 4.6640 4.6640 4.7539 4.7539 4.9874 4.9874 5.1767 5.1767 5.4493 5.4493 5.6610 5.6610 5.7810 5.7810 5.9578 5.9578 6.1479 6.1479 6.3218 6.3218 6.4566 6.4566 6.4975 6.4975 6.6076 6.6076 6.7984 6.7984 6.9766 6.9766 7.3181 7.3181 7.4882 7.4882 8.1961 8.1961 9.7218 9.7218 12.9323 12.9323 13.0054 13.0054 13.1066 13.1066 13.4278 13.4278 13.6845 13.6845 k = 0.3184 0.5625-0.0000 ( 3856 PWs) bands (ev): -4.7934 -4.7934 -4.4817 -4.4817 2.2602 2.2602 2.3961 2.3961 2.5027 2.5027 3.3972 3.3972 3.6436 3.6436 4.0314 4.0314 4.2157 4.2157 4.5411 4.5411 4.6699 4.6699 4.7594 4.7594 4.9876 4.9876 5.1818 5.1818 5.4489 5.4489 5.6430 5.6430 5.7897 5.7897 5.9513 5.9513 6.1490 6.1490 6.3207 6.3207 6.4512 6.4512 6.4950 6.4950 6.5994 6.5994 6.8044 6.8044 6.9837 6.9837 7.3198 7.3198 7.4866 7.4866 8.2046 8.2046 9.7095 9.7095 12.8891 12.8891 12.9927 12.9927 13.1376 13.1376 13.4221 13.4221 13.6954 13.6954 k = 0.3062 0.5625-0.0000 ( 3859 PWs) bands (ev): -4.7963 -4.7963 -4.4825 -4.4825 2.2638 2.2638 2.3953 2.3953 2.5039 2.5039 3.3731 3.3731 3.6622 3.6622 4.0333 4.0333 4.2175 4.2175 4.5412 4.5412 4.6758 4.6758 4.7651 4.7651 4.9872 4.9872 5.1867 5.1867 5.4463 5.4463 5.6237 5.6237 5.7993 5.7993 5.9467 5.9467 6.1514 6.1514 6.3203 6.3203 6.4463 6.4463 6.4930 6.4930 6.5920 6.5920 6.8125 6.8125 6.9926 6.9926 7.3218 7.3218 7.4832 7.4832 8.2101 8.2101 9.7021 9.7021 12.8391 12.8391 12.9772 12.9772 13.1553 13.1553 13.4205 13.4205 13.7114 13.7114 k = 0.2939 0.5625-0.0000 ( 3855 PWs) bands (ev): -4.7999 -4.7999 -4.4839 -4.4839 2.2621 2.2621 2.3942 2.3942 2.5101 2.5101 3.3496 3.3496 3.6825 3.6825 4.0364 4.0364 4.2193 4.2193 4.5413 4.5413 4.6815 4.6815 4.7710 4.7710 4.9865 4.9865 5.1913 5.1913 5.4412 5.4412 5.6044 5.6044 5.8085 5.8085 5.9441 5.9441 6.1552 6.1552 6.3203 6.3203 6.4420 6.4420 6.4915 6.4915 6.5854 6.5854 6.8229 6.8229 7.0032 7.0032 7.3239 7.3239 7.4781 7.4781 8.2129 8.2129 9.6992 9.6992 12.7837 12.7837 12.9598 12.9598 13.1559 13.1559 13.4241 13.4241 13.7320 13.7320 k = 0.2817 0.5625-0.0000 ( 3857 PWs) bands (ev): -4.8040 -4.8040 -4.4857 -4.4857 2.2556 2.2556 2.3927 2.3927 2.5208 2.5208 3.3271 3.3271 3.7041 3.7041 4.0408 4.0408 4.2210 4.2210 4.5411 4.5411 4.6870 4.6870 4.7770 4.7770 4.9853 4.9853 5.1953 5.1953 5.4338 5.4338 5.5856 5.5856 5.8164 5.8164 5.9436 5.9436 6.1601 6.1601 6.3206 6.3206 6.4381 6.4381 6.4907 6.4907 6.5796 6.5796 6.8355 6.8355 7.0157 7.0157 7.3260 7.3260 7.4715 7.4715 8.2135 8.2135 9.7000 9.7000 12.7236 12.7236 12.9413 12.9413 13.1390 13.1390 13.4316 13.4316 13.7573 13.7573 k = 0.2694 0.5625-0.0000 ( 3858 PWs) bands (ev): -4.8086 -4.8086 -4.4880 -4.4880 2.2453 2.2453 2.3906 2.3906 2.5348 2.5348 3.3059 3.3059 3.7270 3.7270 4.0463 4.0463 4.2227 4.2227 4.5410 4.5410 4.6923 4.6923 4.7830 4.7830 4.9837 4.9837 5.1985 5.1985 5.4240 5.4240 5.5679 5.5679 5.8226 5.8226 5.9454 5.9454 6.1663 6.1663 6.3210 6.3210 6.4347 6.4347 6.4907 6.4907 6.5746 6.5746 6.8505 6.8505 7.0302 7.0302 7.3277 7.3277 7.4636 7.4636 8.2121 8.2121 9.7038 9.7038 12.6591 12.6591 12.9221 12.9221 13.1068 13.1068 13.4400 13.4400 13.7878 13.7878 k = 0.2572 0.5625-0.0000 ( 3860 PWs) bands (ev): -4.8135 -4.8135 -4.4905 -4.4905 2.2321 2.2321 2.3879 2.3879 2.5509 2.5509 3.2862 3.2862 3.7511 3.7511 4.0532 4.0532 4.2243 4.2243 4.5408 4.5408 4.6974 4.6974 4.7890 4.7890 4.9819 4.9819 5.2008 5.2008 5.4118 5.4118 5.5514 5.5514 5.8270 5.8270 5.9491 5.9491 6.1738 6.1738 6.3214 6.3214 6.4317 6.4317 6.4916 6.4916 6.5703 6.5703 6.8679 6.8679 7.0469 7.0469 7.3287 7.3287 7.4547 7.4547 8.2093 8.2093 9.7099 9.7099 12.5903 12.5903 12.9026 12.9026 13.0614 13.0614 13.4466 13.4466 13.8239 13.8239 k = 0.2449 0.5625-0.0000 ( 3854 PWs) bands (ev): -4.8188 -4.8188 -4.4934 -4.4934 2.2170 2.2170 2.3847 2.3847 2.5678 2.5678 3.2680 3.2680 3.7763 3.7763 4.0615 4.0615 4.2260 4.2260 4.5407 4.5407 4.7021 4.7021 4.7949 4.7949 4.9798 4.9798 5.2021 5.2021 5.3973 5.3973 5.5366 5.5366 5.8299 5.8299 5.9542 5.9542 6.1823 6.1823 6.3215 6.3215 6.4291 6.4291 6.4938 6.4938 6.5669 6.5669 6.8876 6.8876 7.0660 7.0660 7.3285 7.3285 7.4455 7.4455 8.2054 8.2054 9.7177 9.7177 12.5176 12.5176 12.8830 12.8830 13.0046 13.0046 13.4498 13.4498 13.8664 13.8664 k = 0.2327 0.5625-0.0000 ( 3848 PWs) bands (ev): -4.8243 -4.8243 -4.4965 -4.4965 2.2005 2.2005 2.3812 2.3812 2.5848 2.5848 3.2514 3.2514 3.8027 3.8027 4.0713 4.0713 4.2277 4.2277 4.5406 4.5406 4.7065 4.7065 4.8006 4.8006 4.9774 4.9774 5.2022 5.2022 5.3806 5.3806 5.5234 5.5234 5.8315 5.8315 5.9601 5.9601 6.1920 6.1920 6.3211 6.3211 6.4269 6.4269 6.4973 6.4973 6.5641 6.5641 6.9095 6.9095 7.0878 7.0878 7.3265 7.3265 7.4366 7.4366 8.2009 8.2009 9.7265 9.7265 12.4412 12.4412 12.8633 12.8633 12.9376 12.9376 13.4489 13.4489 13.9159 13.9159 k = 0.2204 0.5625-0.0000 ( 3845 PWs) bands (ev): -4.8300 -4.8300 -4.4997 -4.4997 2.1833 2.1833 2.3774 2.3774 2.6010 2.6010 3.2364 3.2364 3.8300 3.8300 4.0826 4.0826 4.2294 4.2294 4.5407 4.5407 4.7105 4.7105 4.8060 4.8060 4.9747 4.9747 5.2011 5.2011 5.3617 5.3617 5.5121 5.5121 5.8325 5.8325 5.9663 5.9663 6.2024 6.2024 6.3199 6.3199 6.4253 6.4253 6.5021 6.5021 6.5619 6.5619 6.9333 6.9333 7.1127 7.1127 7.3218 7.3218 7.4289 7.4289 8.1960 8.1960 9.7357 9.7357 12.3616 12.3616 12.8420 12.8420 12.8629 12.8629 13.4442 13.4442 13.9728 13.9728 k = 0.2082 0.5625-0.0000 ( 3843 PWs) bands (ev): -4.8358 -4.8358 -4.5032 -4.5032 2.1656 2.1656 2.3733 2.3733 2.6161 2.6161 3.2229 3.2229 3.8581 3.8581 4.0955 4.0955 4.2314 4.2314 4.5410 4.5410 4.7141 4.7141 4.8108 4.8108 4.9716 4.9716 5.1989 5.1989 5.3409 5.3409 5.5025 5.5025 5.8330 5.8330 5.9725 5.9725 6.2133 6.2133 6.3179 6.3179 6.4245 6.4245 6.5082 6.5082 6.5602 6.5602 6.9586 6.9586 7.1410 7.1410 7.3140 7.3140 7.4233 7.4233 8.1910 8.1910 9.7450 9.7450 12.2792 12.2792 12.7746 12.7746 12.8262 12.8262 13.4362 13.4362 14.0374 14.0374 k = 0.1959 0.5625-0.0000 ( 3843 PWs) bands (ev): -4.8417 -4.8417 -4.5067 -4.5067 2.1478 2.1478 2.3691 2.3691 2.6298 2.6298 3.2109 3.2109 3.8867 3.8867 4.1101 4.1101 4.2336 4.2336 4.5416 4.5416 4.7173 4.7173 4.8151 4.8151 4.9682 4.9682 5.1955 5.1955 5.3184 5.3184 5.4947 5.4947 5.8333 5.8333 5.9782 5.9782 6.2244 6.2244 6.3149 6.3149 6.4245 6.4245 6.5154 6.5154 6.5591 6.5591 6.9848 6.9848 7.1728 7.1728 7.3028 7.3028 7.4201 7.4201 8.1862 8.1862 9.7540 9.7540 12.1944 12.1944 12.6832 12.6832 12.8067 12.8067 13.4257 13.4257 14.1100 14.1100 k = 0.1837 0.5625-0.0000 ( 3841 PWs) bands (ev): -4.8475 -4.8475 -4.5102 -4.5102 2.1302 2.1302 2.3647 2.3647 2.6419 2.6419 3.2003 3.2003 3.9154 3.9154 4.1265 4.1265 4.2363 4.2363 4.5425 4.5425 4.7201 4.7201 4.8186 4.8186 4.9642 4.9642 5.1911 5.1911 5.2948 5.2948 5.4884 5.4884 5.8336 5.8336 5.9834 5.9834 6.2353 6.2353 6.3114 6.3114 6.4251 6.4251 6.5235 6.5235 6.5584 6.5584 7.0116 7.0116 7.2082 7.2082 7.2886 7.2886 7.4194 7.4194 8.1815 8.1815 9.7625 9.7625 12.1079 12.1079 12.5859 12.5859 12.7880 12.7880 13.4134 13.4134 14.1907 14.1907 k = 0.1715 0.5625-0.0000 ( 3843 PWs) bands (ev): -4.8533 -4.8533 -4.5138 -4.5138 2.1130 2.1130 2.3603 2.3603 2.6523 2.6523 3.1909 3.1909 3.9437 3.9437 4.1448 4.1448 4.2395 4.2395 4.5438 4.5438 4.7226 4.7226 4.8212 4.8212 4.9595 4.9595 5.1854 5.1854 5.2706 5.2706 5.4834 5.4834 5.8341 5.8341 5.9881 5.9881 6.2452 6.2452 6.3078 6.3078 6.4264 6.4264 6.5322 6.5322 6.5583 6.5583 7.0383 7.0383 7.2452 7.2452 7.2734 7.2734 7.4212 7.4212 8.1773 8.1773 9.7702 9.7702 12.0203 12.0203 12.4846 12.4846 12.7698 12.7698 13.3999 13.3999 14.2793 14.2793 k = 0.1592 0.5625-0.0000 ( 3841 PWs) bands (ev): -4.8589 -4.8589 -4.5173 -4.5173 2.0963 2.0963 2.3560 2.3560 2.6611 2.6611 3.1826 3.1826 3.9711 3.9711 4.1650 4.1650 4.2436 4.2436 4.5455 4.5455 4.7246 4.7246 4.8227 4.8227 4.9541 4.9541 5.1783 5.1783 5.2470 5.2470 5.4796 5.4796 5.8347 5.8347 5.9922 5.9922 6.2532 6.2532 6.3052 6.3052 6.4282 6.4282 6.5407 6.5407 6.5596 6.5596 7.0647 7.0647 7.2501 7.2501 7.2908 7.2908 7.4260 7.4260 8.1734 8.1734 9.7772 9.7772 11.9321 11.9321 12.3810 12.3810 12.7522 12.7522 13.3860 13.3860 14.3756 14.3756 k = 0.1470 0.5625-0.0000 ( 3840 PWs) bands (ev): -4.8643 -4.8643 -4.5207 -4.5207 2.0803 2.0803 2.3516 2.3516 2.6685 2.6685 3.1754 3.1754 3.9968 3.9968 4.1869 4.1869 4.2490 4.2490 4.5478 4.5478 4.7262 4.7262 4.8230 4.8230 4.9476 4.9476 5.1690 5.1690 5.2252 5.2252 5.4768 5.4768 5.8354 5.8354 5.9958 5.9958 6.2579 6.2579 6.3051 6.3051 6.4302 6.4302 6.5471 6.5471 6.5639 6.5639 7.0903 7.0903 7.2313 7.2313 7.3301 7.3301 7.4355 7.4355 8.1700 8.1700 9.7832 9.7832 11.8441 11.8441 12.2770 12.2770 12.7354 12.7354 13.3719 13.3719 14.4792 14.4792 k = 0.1347 0.5625-0.0000 ( 3844 PWs) bands (ev): -4.8696 -4.8696 -4.5240 -4.5240 2.0651 2.0651 2.3474 2.3474 2.6744 2.6744 3.1690 3.1690 4.0203 4.0203 4.2097 4.2097 4.2567 4.2567 4.5508 4.5508 4.7274 4.7274 4.8219 4.8219 4.9397 4.9397 5.1565 5.1565 5.2071 5.2071 5.4747 5.4747 5.8363 5.8363 5.9990 5.9990 6.2584 6.2584 6.3083 6.3083 6.4323 6.4323 6.5500 6.5500 6.5724 6.5724 7.1144 7.1144 7.2118 7.2118 7.3638 7.3638 7.4544 7.4544 8.1670 8.1670 9.7884 9.7884 11.7570 11.7570 12.1743 12.1743 12.7194 12.7194 13.3581 13.3581 14.5860 14.5860 k = 0.1225 0.5625-0.0000 ( 3844 PWs) bands (ev): -4.8745 -4.8745 -4.5272 -4.5272 2.0509 2.0509 2.3433 2.3433 2.6791 2.6791 3.1634 3.1634 4.0411 4.0411 4.2310 4.2310 4.2691 4.2691 4.5545 4.5545 4.7281 4.7281 4.8193 4.8193 4.9303 4.9303 5.1406 5.1406 5.1937 5.1937 5.4733 5.4733 5.8373 5.8373 6.0018 6.0018 6.2554 6.2554 6.3143 6.3143 6.4345 6.4345 6.5510 6.5510 6.5832 6.5832 7.1351 7.1351 7.1944 7.1944 7.3852 7.3852 7.4874 7.4874 8.1645 8.1645 9.7927 9.7927 11.6717 11.6717 12.0746 12.0746 12.7043 12.7043 13.3450 13.3450 14.5765 14.5765 k = 0.1102 0.5625-0.0000 ( 3838 PWs) bands (ev): -4.8791 -4.8791 -4.5301 -4.5301 2.0378 2.0378 2.3394 2.3394 2.6828 2.6828 3.1586 3.1586 4.0591 4.0591 4.2473 4.2473 4.2892 4.2892 4.5591 4.5591 4.7283 4.7283 4.8151 4.8151 4.9190 4.9190 5.1228 5.1228 5.1843 5.1843 5.4724 5.4724 5.8384 5.8384 6.0043 6.0043 6.2506 6.2506 6.3216 6.3216 6.4366 6.4366 6.5514 6.5514 6.5952 6.5952 7.1439 7.1439 7.1881 7.1881 7.3966 7.3966 7.5313 7.5313 8.1624 8.1624 9.7963 9.7963 11.5889 11.5889 11.9795 11.9795 12.6904 12.6904 13.3326 13.3326 14.5629 14.5629 k = 0.0980 0.5625-0.0000 ( 3836 PWs) bands (ev): -4.8833 -4.8833 -4.5328 -4.5328 2.0258 2.0258 2.3358 2.3358 2.6857 2.6857 3.1544 3.1544 4.0741 4.0741 4.2590 4.2590 4.3162 4.3162 4.5645 4.5645 4.7280 4.7280 4.8091 4.8091 4.9057 4.9057 5.1054 5.1054 5.1774 5.1774 5.4719 5.4719 5.8395 5.8395 6.0065 6.0065 6.2449 6.2449 6.3292 6.3292 6.4386 6.4386 6.5516 6.5516 6.6074 6.6074 7.1333 7.1333 7.2004 7.2004 7.4028 7.4028 7.5794 7.5794 8.1607 8.1607 9.7991 9.7991 11.5097 11.5097 11.8906 11.8906 12.6776 12.6776 13.3212 13.3212 14.5507 14.5507 k = 0.0857 0.5625-0.0000 ( 3836 PWs) bands (ev): -4.8871 -4.8871 -4.5353 -4.5353 2.0150 2.0150 2.3325 2.3325 2.6878 2.6878 3.1508 3.1508 4.0863 4.0863 4.2688 4.2688 4.3465 4.3465 4.5708 4.5708 4.7268 4.7268 4.8013 4.8013 4.8908 4.8908 5.0899 5.0899 5.1721 5.1721 5.4716 5.4716 5.8406 5.8406 6.0083 6.0083 6.2390 6.2390 6.3365 6.3365 6.4403 6.4403 6.5517 6.5517 6.6197 6.6197 7.1159 7.1159 7.2189 7.2189 7.4064 7.4064 7.6280 7.6280 8.1594 8.1594 9.8014 9.8014 11.4351 11.4351 11.8092 11.8092 12.6661 12.6661 13.3108 13.3108 14.5399 14.5399 k = 0.0735 0.5625-0.0000 ( 3840 PWs) bands (ev): -4.8904 -4.8904 -4.5375 -4.5375 2.0055 2.0055 2.3296 2.3296 2.6893 2.6893 3.1477 3.1477 4.0960 4.0960 4.2776 4.2776 4.3782 4.3782 4.5780 4.5780 4.7248 4.7248 4.7916 4.7916 4.8747 4.8747 5.0767 5.0767 5.1679 5.1679 5.4715 5.4715 5.8417 5.8417 6.0099 6.0099 6.2334 6.2334 6.3432 6.3432 6.4418 6.4418 6.5517 6.5517 6.6317 6.6317 7.0978 7.0978 7.2376 7.2376 7.4087 7.4087 7.6745 7.6745 8.1585 8.1585 9.8032 9.8032 11.3664 11.3664 11.7365 11.7365 12.6560 12.6560 13.3017 13.3017 14.5305 14.5305 k = 0.0612 0.5625-0.0000 ( 3842 PWs) bands (ev): -4.8933 -4.8933 -4.5394 -4.5394 1.9974 1.9974 2.3270 2.3270 2.6904 2.6904 3.1451 3.1451 4.1035 4.1035 4.2856 4.2856 4.4100 4.4100 4.5857 4.5857 4.7215 4.7215 4.7801 4.7801 4.8588 4.8588 5.0662 5.0662 5.1645 5.1645 5.4716 5.4716 5.8427 5.8427 6.0112 6.0112 6.2283 6.2283 6.3491 6.3491 6.4431 6.4431 6.5517 6.5517 6.6430 6.6430 7.0806 7.0806 7.2550 7.2550 7.4099 7.4099 7.7171 7.7171 8.1579 8.1579 9.8045 9.8045 11.3049 11.3049 11.6735 11.6735 12.6472 12.6472 13.2939 13.2939 14.5226 14.5226 k = 0.0490 0.5625-0.0000 ( 3850 PWs) bands (ev): -4.8957 -4.8957 -4.5409 -4.5409 1.9907 1.9907 2.3249 2.3249 2.6911 2.6911 3.1430 3.1430 4.1091 4.1091 4.2926 4.2926 4.4409 4.4409 4.5937 4.5937 4.7167 4.7167 4.7674 4.7674 4.8443 4.8443 5.0582 5.0582 5.1619 5.1619 5.4717 5.4717 5.8435 5.8435 6.0123 6.0123 6.2239 6.2239 6.3541 6.3541 6.4441 6.4441 6.5517 6.5517 6.6531 6.6531 7.0654 7.0654 7.2703 7.2703 7.4104 7.4104 7.7542 7.7542 8.1575 8.1575 9.8054 9.8054 11.2520 11.2520 11.6210 11.6210 12.6400 12.6400 13.2874 13.2874 14.5161 14.5161 k = 0.0367 0.5625-0.0000 ( 3840 PWs) bands (ev): -4.8976 -4.8976 -4.5422 -4.5422 1.9855 1.9855 2.3232 2.3232 2.6916 2.6916 3.1415 3.1415 4.1132 4.1132 4.2985 4.2985 4.4695 4.4695 4.6011 4.6011 4.7102 4.7102 4.7547 4.7547 4.8323 4.8323 5.0524 5.0524 5.1599 5.1599 5.4719 5.4719 5.8443 5.8443 6.0133 6.0133 6.2203 6.2203 6.3581 6.3581 6.4449 6.4449 6.5518 6.5518 6.6618 6.6618 7.0527 7.0527 7.2830 7.2830 7.4105 7.4105 7.7847 7.7847 8.1575 8.1575 9.8061 9.8061 11.2091 11.2091 11.5795 11.5795 12.6344 12.6344 13.2824 13.2824 14.5110 14.5110 k = 0.0245 0.5625-0.0000 ( 3840 PWs) bands (ev): -4.8990 -4.8990 -4.5431 -4.5431 1.9817 1.9817 2.3220 2.3220 2.6919 2.6919 3.1403 3.1403 4.1160 4.1160 4.3029 4.3029 4.4941 4.4941 4.6070 4.6070 4.7023 4.7023 4.7441 4.7441 4.8237 4.8237 5.0484 5.0484 5.1586 5.1586 5.4720 5.4720 5.8448 5.8448 6.0139 6.0139 6.2177 6.2177 6.3610 6.3610 6.4455 6.4455 6.5518 6.5518 6.6684 6.6684 7.0431 7.0431 7.2926 7.2926 7.4102 7.4102 7.8073 7.8073 8.1575 8.1575 9.8065 9.8065 11.1774 11.1774 11.5496 11.5496 12.6303 12.6303 13.2787 13.2787 14.5074 14.5074 k = 0.0122 0.5625-0.0000 ( 3846 PWs) bands (ev): -4.8998 -4.8998 -4.5436 -4.5436 1.9794 1.9794 2.3212 2.3212 2.6921 2.6921 3.1396 3.1396 4.1175 4.1175 4.3056 4.3056 4.5117 4.5117 4.6103 4.6103 4.6954 4.6954 4.7371 4.7371 4.8184 4.8184 5.0461 5.0461 5.1577 5.1577 5.4720 5.4720 5.8451 5.8451 6.0143 6.0143 6.2161 6.2161 6.3627 6.3627 6.4458 6.4458 6.5518 6.5518 6.6726 6.6726 7.0371 7.0371 7.2985 7.2985 7.4099 7.4099 7.8211 7.8211 8.1575 8.1575 9.8068 9.8068 11.1580 11.1580 11.5316 11.5316 12.6279 12.6279 13.2765 13.2765 14.5052 14.5052 k = 0.0000 0.5625-0.0000 ( 3846 PWs) bands (ev): -4.9001 -4.9001 -4.5438 -4.5438 1.9787 1.9787 2.3210 2.3210 2.6921 2.6921 3.1394 3.1394 4.1181 4.1181 4.3065 4.3065 4.5183 4.5183 4.6113 4.6113 4.6926 4.6926 4.7347 4.7347 4.8167 4.8167 5.0454 5.0454 5.1575 5.1575 5.4721 5.4721 5.8452 5.8452 6.0144 6.0144 6.2156 6.2156 6.3633 6.3633 6.4459 6.4459 6.5517 6.5517 6.6740 6.6740 7.0350 7.0350 7.3005 7.3005 7.4098 7.4098 7.8258 7.8258 8.1575 8.1575 9.8068 9.8068 11.1514 11.1514 11.5256 11.5256 12.6270 12.6270 13.2758 13.2758 14.5045 14.5045 k = 0.0000 0.5625-0.0000 ( 3846 PWs) bands (ev): -4.9001 -4.9001 -4.5438 -4.5438 1.9787 1.9787 2.3210 2.3210 2.6921 2.6921 3.1394 3.1394 4.1181 4.1181 4.3065 4.3065 4.5183 4.5183 4.6113 4.6113 4.6926 4.6926 4.7347 4.7347 4.8167 4.8167 5.0454 5.0454 5.1575 5.1575 5.4721 5.4721 5.8452 5.8452 6.0144 6.0144 6.2156 6.2156 6.3633 6.3633 6.4459 6.4459 6.5517 6.5517 6.6740 6.6740 7.0350 7.0350 7.3005 7.3005 7.4098 7.4098 7.8258 7.8258 8.1575 8.1575 9.8068 9.8068 11.1514 11.1514 11.5256 11.5256 12.6270 12.6270 13.2758 13.2758 14.5045 14.5045 k = 0.0000 0.5625 0.0122 ( 3844 PWs) bands (ev): -4.8996 -4.8996 -4.5444 -4.5444 1.9792 1.9792 2.3212 2.3212 2.6924 2.6924 3.1401 3.1401 4.1157 4.1157 4.3065 4.3065 4.5140 4.5140 4.5926 4.5926 4.7042 4.7042 4.7428 4.7428 4.8202 4.8202 5.0458 5.0458 5.1594 5.1594 5.4714 5.4714 5.8451 5.8451 6.0137 6.0137 6.2162 6.2162 6.3637 6.3637 6.4460 6.4460 6.5520 6.5520 6.6738 6.6738 7.0341 7.0341 7.3011 7.3011 7.4105 7.4105 7.8252 7.8252 8.1567 8.1567 9.8036 9.8036 11.1504 11.1504 11.5351 11.5351 12.6049 12.6049 13.3004 13.3004 14.4922 14.4922 k = 0.0000 0.5625 0.0244 ( 3846 PWs) bands (ev): -4.8981 -4.8981 -4.5462 -4.5462 1.9808 1.9808 2.3219 2.3219 2.6932 2.6932 3.1422 3.1422 4.1086 4.1086 4.3060 4.3060 4.4980 4.4980 4.5625 4.5625 4.7138 4.7138 4.7703 4.7703 4.8302 4.8302 5.0471 5.0471 5.1654 5.1654 5.4693 5.4693 5.8446 5.8446 6.0117 6.0117 6.2180 6.2180 6.3650 6.3650 6.4462 6.4462 6.5526 6.5526 6.6729 6.6729 7.0313 7.0313 7.3028 7.3028 7.4128 7.4128 7.8232 7.8232 8.1542 8.1542 9.7943 9.7943 11.1471 11.1471 11.5631 11.5631 12.5474 12.5474 13.3655 13.3655 14.4568 14.4568 k = 0.0000 0.5625 0.0366 ( 3842 PWs) bands (ev): -4.8956 -4.8956 -4.5491 -4.5491 1.9835 1.9835 2.3228 2.3228 2.6949 2.6949 3.1456 3.1456 4.0966 4.0966 4.3031 4.3031 4.4676 4.4676 4.5428 4.5428 4.7168 4.7168 4.8049 4.8049 4.8463 4.8463 5.0492 5.0492 5.1755 5.1755 5.4660 5.4660 5.8438 5.8438 6.0083 6.0083 6.2209 6.2209 6.3671 6.3671 6.4466 6.4466 6.5536 6.5536 6.6715 6.6715 7.0264 7.0264 7.3057 7.3057 7.4168 7.4168 7.8200 7.8200 8.1501 8.1501 9.7801 9.7801 11.1408 11.1408 11.6086 11.6086 12.4711 12.4711 13.4549 13.4549 14.4017 14.4017 k = 0.0000 0.5625 0.0488 ( 3840 PWs) bands (ev): -4.8920 -4.8920 -4.5533 -4.5533 1.9873 1.9873 2.3237 2.3237 2.6977 2.6977 3.1503 3.1503 4.0799 4.0799 4.2933 4.2933 4.4334 4.4334 4.5331 4.5331 4.7181 4.7181 4.8356 4.8356 4.8691 4.8691 5.0519 5.0519 5.1898 5.1898 5.4612 5.4612 5.8428 5.8428 6.0037 6.0037 6.2250 6.2250 6.3700 6.3700 6.4470 6.4470 6.5549 6.5549 6.6696 6.6696 7.0192 7.0192 7.3098 7.3098 7.4226 7.4226 7.8155 7.8155 8.1443 8.1443 9.7624 9.7624 11.1303 11.1303 11.6697 11.6697 12.3892 12.3892 13.5563 13.5563 14.3313 14.3313 k = 0.0000 0.5625 0.0610 ( 3840 PWs) bands (ev): -4.8876 -4.8876 -4.5585 -4.5585 1.9921 1.9921 2.3242 2.3242 2.7022 2.7022 3.1561 3.1561 4.0585 4.0585 4.2691 4.2691 4.4098 4.4098 4.5287 4.5287 4.7188 4.7188 4.8580 4.8580 4.8991 4.8991 5.0553 5.0553 5.2080 5.2080 5.4551 5.4551 5.8416 5.8416 5.9979 5.9979 6.2303 6.2303 6.3737 6.3737 6.4475 6.4475 6.5566 6.5566 6.6671 6.6671 7.0094 7.0094 7.3151 7.3151 7.4305 7.4305 7.8099 7.8099 8.1370 8.1370 9.7432 9.7432 11.1138 11.1138 11.7444 11.7444 12.3101 12.3101 13.6621 13.6621 14.2497 14.2497 k = 0.0000 0.5625 0.0732 ( 3840 PWs) bands (ev): -4.8821 -4.8821 -4.5649 -4.5649 1.9979 1.9979 2.3238 2.3238 2.7088 2.7088 3.1631 3.1631 4.0328 4.0328 4.2291 4.2291 4.4014 4.4014 4.5280 4.5280 4.7196 4.7196 4.8743 4.8743 4.9319 4.9319 5.0598 5.0598 5.2294 5.2294 5.4475 5.4475 5.8402 5.8402 5.9910 5.9910 6.2367 6.2367 6.3780 6.3780 6.4481 6.4481 6.5584 6.5584 6.6643 6.6643 6.9966 6.9966 7.3218 7.3218 7.4407 7.4407 7.8033 7.8033 8.1280 8.1280 9.7243 9.7243 11.0894 11.0894 11.8305 11.8305 12.2397 12.2397 13.7674 13.7674 14.1606 14.1606 k = 0.0000 0.5625 0.0854 ( 3832 PWs) bands (ev): -4.8758 -4.8758 -4.5722 -4.5722 2.0048 2.0048 2.3223 2.3223 2.7180 2.7180 3.1710 3.1710 4.0033 4.0033 4.1796 4.1796 4.4032 4.4032 4.5304 4.5304 4.7208 4.7208 4.8870 4.8870 4.9638 4.9638 5.0664 5.0664 5.2529 5.2529 5.4386 5.4386 5.8388 5.8388 5.9831 5.9831 6.2444 6.2444 6.3828 6.3828 6.4487 6.4487 6.5605 6.5605 6.6611 6.6611 6.9810 6.9810 7.3298 7.3298 7.4530 7.4530 7.7959 7.7959 8.1176 8.1176 9.7074 9.7074 11.0551 11.0551 11.9256 11.9256 12.1825 12.1825 13.8683 13.8683 14.0673 14.0673 k = 0.0000 0.5625 0.0976 ( 3832 PWs) bands (ev): -4.8685 -4.8685 -4.5806 -4.5806 2.0126 2.0126 2.3193 2.3193 2.7304 2.7304 3.1796 3.1796 3.9703 3.9703 4.1263 4.1263 4.4098 4.4098 4.5354 4.5354 4.7230 4.7230 4.8966 4.8966 4.9920 4.9920 5.0769 5.0769 5.2773 5.2773 5.4283 5.4283 5.8373 5.8373 5.9743 5.9743 6.2530 6.2530 6.3881 6.3881 6.4492 6.4492 6.5625 6.5625 6.6576 6.6576 6.9623 6.9623 7.3392 7.3392 7.4674 7.4674 7.7879 7.7879 8.1057 8.1057 9.6938 9.6938 11.0096 11.0096 12.0260 12.0260 12.1431 12.1431 13.9486 13.9486 13.9849 13.9849 k = 0.0000 0.5625 0.1098 ( 3828 PWs) bands (ev): -4.8604 -4.8604 -4.5898 -4.5898 2.0215 2.0215 2.3144 2.3144 2.7461 2.7461 3.1885 3.1885 3.9344 3.9344 4.0726 4.0726 4.4187 4.4187 4.5421 4.5421 4.7266 4.7266 4.9038 4.9038 5.0140 5.0140 5.0938 5.0938 5.3014 5.3014 5.4166 5.4166 5.8359 5.8359 5.9647 5.9647 6.2629 6.2629 6.3939 6.3939 6.4497 6.4497 6.5643 6.5643 6.6540 6.6540 6.9409 6.9409 7.3499 7.3499 7.4834 7.4834 7.7797 7.7797 8.0923 8.0923 9.6850 9.6850 10.9525 10.9525 12.0970 12.0970 12.1553 12.1553 13.8703 13.8703 14.0506 14.0506 k = 0.0000 0.5625 0.1220 ( 3822 PWs) bands (ev): -4.8515 -4.8515 -4.5999 -4.5999 2.0312 2.0312 2.3076 2.3076 2.7654 2.7654 3.1975 3.1975 3.8960 3.8960 4.0205 4.0205 4.4285 4.4285 4.5495 4.5495 4.7323 4.7323 4.9089 4.9089 5.0293 5.0293 5.1175 5.1175 5.3239 5.3239 5.4039 5.4039 5.8347 5.8347 5.9546 5.9546 6.2738 6.2738 6.4000 6.4000 6.4499 6.4499 6.5656 6.5656 6.6506 6.6506 6.9171 6.9171 7.3618 7.3618 7.5005 7.5005 7.7717 7.7717 8.0775 8.0775 9.6818 9.6818 10.8848 10.8848 12.0983 12.0983 12.2571 12.2571 13.7761 13.7761 14.1209 14.1209 k = 0.0000 0.5625 0.1342 ( 3820 PWs) bands (ev): -4.8418 -4.8418 -4.6108 -4.6108 2.0419 2.0419 2.2990 2.2990 2.7884 2.7884 3.2059 3.2059 3.8558 3.8558 3.9711 3.9711 4.4386 4.4386 4.5563 4.5563 4.7407 4.7407 4.9121 4.9121 5.0404 5.0404 5.1455 5.1455 5.3433 5.3433 5.3907 5.3907 5.8337 5.8337 5.9439 5.9439 6.2859 6.2859 6.4063 6.4063 6.4499 6.4499 6.5661 6.5661 6.6476 6.6476 6.8915 6.8915 7.3749 7.3749 7.5178 7.5178 7.7647 7.7647 8.0614 8.0614 9.6850 9.6850 10.8082 10.8082 12.1061 12.1061 12.3681 12.3681 13.6854 13.6854 14.1758 14.1758 k = 0.0000 0.5625 0.1464 ( 3822 PWs) bands (ev): -4.8314 -4.8314 -4.6224 -4.6224 2.0534 2.0534 2.2886 2.2886 2.8148 2.8148 3.2130 3.2130 3.8149 3.8149 3.9250 3.9250 4.4488 4.4488 4.5614 4.5614 4.7520 4.7520 4.9137 4.9137 5.0500 5.0500 5.1750 5.1750 5.3550 5.3550 5.3813 5.3813 5.8331 5.8331 5.9330 5.9330 6.2990 6.2990 6.4127 6.4127 6.4497 6.4497 6.5652 6.5652 6.6454 6.6454 6.8647 6.8647 7.3890 7.3890 7.5341 7.5341 7.7596 7.7596 8.0440 8.0440 9.6953 9.6953 10.7250 10.7250 12.1264 12.1264 12.4772 12.4772 13.6019 13.6019 14.2120 14.2120 k = 0.0000 0.5625 0.1586 ( 3818 PWs) bands (ev): -4.8203 -4.8203 -4.6345 -4.6345 2.0657 2.0657 2.2766 2.2766 2.8445 2.8445 3.2179 3.2179 3.7751 3.7751 3.8825 3.8825 4.4591 4.4591 4.5643 4.5643 4.7660 4.7660 4.9137 4.9137 5.0600 5.0600 5.2041 5.2041 5.3488 5.3488 5.3858 5.3858 5.8330 5.8330 5.9218 5.9218 6.3131 6.3131 6.4193 6.4193 6.4491 6.4491 6.5624 6.5624 6.6444 6.6444 6.8375 6.8375 7.4039 7.4039 7.5478 7.5478 7.7577 7.7577 8.0253 8.0253 9.7129 9.7129 10.6374 10.6374 12.1580 12.1580 12.5780 12.5780 13.5307 13.5307 14.2273 14.2273 k = 0.0000 0.5625 0.1708 ( 3824 PWs) bands (ev): -4.8086 -4.8086 -4.6472 -4.6472 2.0788 2.0788 2.2633 2.2633 2.8770 2.8770 3.2192 3.2192 3.7386 3.7386 3.8432 3.8432 4.4693 4.4693 4.5646 4.5646 4.7820 4.7820 4.9123 4.9123 5.0713 5.0713 5.2309 5.2309 5.3343 5.3343 5.3951 5.3951 5.8335 5.8335 5.9107 5.9107 6.3280 6.3280 6.4258 6.4258 6.4482 6.4482 6.5574 6.5574 6.6451 6.6451 6.8106 6.8106 7.4195 7.4195 7.5573 7.5573 7.7603 7.7603 8.0055 8.0055 9.7381 9.7381 10.5476 10.5476 12.1990 12.1990 12.6624 12.6624 13.4794 13.4794 14.2207 14.2207 k = 0.0000 0.5625 0.1830 ( 3824 PWs) bands (ev): -4.7964 -4.7964 -4.6604 -4.6604 2.0926 2.0926 2.2490 2.2490 2.9120 2.9120 3.2157 3.2157 3.7075 3.7075 3.8070 3.8070 4.4796 4.4796 4.5625 4.5625 4.7991 4.7991 4.9095 4.9095 5.0845 5.0845 5.2517 5.2517 5.3215 5.3215 5.4020 5.4020 5.8347 5.8347 5.8999 5.8999 6.3437 6.3437 6.4319 6.4319 6.4473 6.4473 6.5498 6.5498 6.6476 6.6476 6.7847 6.7847 7.4356 7.4356 7.5615 7.5615 7.7684 7.7684 7.9845 7.9845 9.7710 9.7710 10.4574 10.4574 12.2480 12.2480 12.7194 12.7194 13.4582 13.4582 14.1922 14.1922 k = 0.0000 0.5625 0.1952 ( 3828 PWs) bands (ev): -4.7837 -4.7837 -4.6738 -4.6738 2.1070 2.1070 2.2338 2.2338 2.9490 2.9490 3.2059 3.2059 3.6840 3.6840 3.7738 3.7738 4.4898 4.4898 4.5584 4.5584 4.8163 4.8163 4.9052 4.9052 5.0999 5.0999 5.2578 5.2578 5.3200 5.3200 5.4055 5.4055 5.8368 5.8368 5.8895 5.8895 6.3597 6.3597 6.4358 6.4358 6.4484 6.4484 6.5397 6.5397 6.6520 6.6520 6.7606 6.7606 7.4520 7.4520 7.5601 7.5601 7.7819 7.7819 7.9625 7.9625 9.8115 9.8115 10.3683 10.3683 12.3035 12.3035 12.7399 12.7399 13.4756 13.4756 14.1434 14.1434 k = 0.0000 0.5625 0.2074 ( 3828 PWs) bands (ev): -4.7705 -4.7705 -4.6876 -4.6876 2.1220 2.1220 2.2181 2.2181 2.9873 2.9873 3.1891 3.1891 3.6694 3.6694 3.7438 3.7438 4.4999 4.4999 4.5527 4.5527 4.8329 4.8329 4.8996 4.8996 5.1176 5.1176 5.2461 5.2461 5.3328 5.3328 5.4052 5.4052 5.8399 5.8399 5.8797 5.8797 6.3755 6.3755 6.4349 6.4349 6.4539 6.4539 6.5275 6.5275 6.6582 6.6582 6.7387 6.7387 7.4687 7.4687 7.5538 7.5538 7.7998 7.7998 7.9397 7.9397 9.8595 9.8595 10.2814 10.2814 12.3643 12.3643 12.7246 12.7246 13.5300 13.5300 14.0767 14.0767 k = 0.0000 0.5625 0.2196 ( 3834 PWs) bands (ev): -4.7571 -4.7571 -4.7015 -4.7015 2.1375 2.1375 2.2020 2.2020 3.0262 3.0262 3.1655 3.1655 3.6640 3.6640 3.7175 3.7175 4.5098 4.5098 4.5456 4.5456 4.8481 4.8481 4.8925 4.8925 5.1374 5.1374 5.2265 5.2265 5.3502 5.3502 5.4010 5.4010 5.8439 5.8439 5.8706 5.8706 6.3906 6.3906 6.4306 6.4306 6.4624 6.4624 6.5138 6.5138 6.6662 6.6662 6.7193 6.7193 7.4852 7.4852 7.5439 7.5439 7.8209 7.8209 7.9161 7.9161 9.9147 9.9147 10.1980 10.1980 12.4288 12.4288 12.6833 12.6833 13.6106 13.6106 13.9956 13.9956 k = 0.0000 0.5625 0.2319 ( 3838 PWs) bands (ev): -4.7434 -4.7434 -4.7155 -4.7155 2.1534 2.1534 2.1858 2.1858 3.0647 3.0647 3.1359 3.1359 3.6674 3.6674 3.6953 3.6953 4.5195 4.5195 4.5376 4.5376 4.8618 4.8618 4.8839 4.8839 5.1588 5.1588 5.2043 5.2043 5.3670 5.3670 5.3930 5.3930 5.8490 5.8490 5.8624 5.8624 6.4040 6.4040 6.4241 6.4241 6.4731 6.4731 6.4995 6.4995 6.6762 6.6762 6.7025 6.7025 7.5014 7.5014 7.5313 7.5313 7.8438 7.8438 7.8920 7.8920 9.9766 9.9766 10.1189 10.1189 12.4955 12.4955 12.6267 12.6267 13.7054 13.7054 13.9036 13.9036 k = 0.0000 0.5625 0.2441 ( 3836 PWs) bands (ev): -4.7295 -4.7295 -4.7295 -4.7295 2.1695 2.1695 2.1695 2.1695 3.1017 3.1017 3.1018 3.1018 3.6781 3.6781 3.6783 3.6783 4.5287 4.5287 4.5290 4.5290 4.8736 4.8736 4.8738 4.8738 5.1812 5.1812 5.1815 5.1815 5.3815 5.3815 5.3816 5.3816 5.8551 5.8551 5.8553 5.8553 6.4153 6.4153 6.4153 6.4153 6.4856 6.4856 6.4856 6.4856 6.6882 6.6882 6.6882 6.6882 7.5169 7.5169 7.5169 7.5169 7.8677 7.8677 7.8678 7.8678 10.0449 10.0449 10.0449 10.0449 12.5625 12.5625 12.5625 12.5625 13.8052 13.8052 13.8053 13.8053 k = 0.0000 0.5625 0.2441 ( 3836 PWs) bands (ev): -4.7295 -4.7295 -4.7295 -4.7295 2.1695 2.1695 2.1695 2.1695 3.1017 3.1017 3.1018 3.1018 3.6781 3.6781 3.6783 3.6783 4.5287 4.5287 4.5290 4.5290 4.8736 4.8736 4.8738 4.8738 5.1812 5.1812 5.1815 5.1815 5.3815 5.3815 5.3816 5.3816 5.8551 5.8551 5.8553 5.8553 6.4153 6.4153 6.4153 6.4153 6.4856 6.4856 6.4856 6.4856 6.6882 6.6882 6.6882 6.6882 7.5169 7.5169 7.5169 7.5169 7.8677 7.8677 7.8678 7.8678 10.0449 10.0449 10.0449 10.0449 12.5625 12.5625 12.5625 12.5625 13.8052 13.8052 13.8053 13.8053 k = 0.0122 0.5625 0.2441 ( 3836 PWs) bands (ev): -4.7293 -4.7293 -4.7291 -4.7291 2.1701 2.1701 2.1703 2.1703 3.1009 3.1009 3.1012 3.1012 3.6772 3.6772 3.6793 3.6793 4.5268 4.5268 4.5307 4.5307 4.8709 4.8709 4.8764 4.8764 5.1784 5.1784 5.1833 5.1833 5.3804 5.3804 5.3828 5.3828 5.8542 5.8542 5.8568 5.8568 6.4121 6.4121 6.4180 6.4180 6.4839 6.4839 6.4871 6.4871 6.6877 6.6877 6.6896 6.6896 7.5082 7.5082 7.5196 7.5196 7.8668 7.8668 7.8689 7.8689 10.0478 10.0478 10.0483 10.0483 12.5661 12.5661 12.5680 12.5680 13.8017 13.8017 13.8022 13.8022 k = 0.0245 0.5625 0.2441 ( 3832 PWs) bands (ev): -4.7288 -4.7288 -4.7283 -4.7283 2.1721 2.1721 2.1725 2.1725 3.0986 3.0986 3.0991 3.0991 3.6761 3.6761 3.6804 3.6804 4.5247 4.5247 4.5323 4.5323 4.8681 4.8681 4.8792 4.8792 5.1746 5.1746 5.1842 5.1842 5.3793 5.3793 5.3843 5.3843 5.8540 5.8540 5.8592 5.8592 6.4083 6.4083 6.4202 6.4202 6.4820 6.4820 6.4882 6.4882 6.6883 6.6883 6.6920 6.6920 7.4937 7.4937 7.5164 7.5164 7.8660 7.8660 7.8701 7.8701 10.0571 10.0571 10.0582 10.0582 12.5788 12.5788 12.5824 12.5824 13.7917 13.7917 13.7926 13.7926 k = 0.0367 0.5625 0.2441 ( 3826 PWs) bands (ev): -4.7277 -4.7277 -4.7271 -4.7271 2.1756 2.1756 2.1761 2.1761 3.0948 3.0948 3.0956 3.0956 3.6750 3.6750 3.6814 3.6814 4.5227 4.5227 4.5337 4.5337 4.8652 4.8652 4.8819 4.8819 5.1702 5.1702 5.1837 5.1837 5.3780 5.3780 5.3861 5.3861 5.8545 5.8545 5.8623 5.8623 6.4039 6.4039 6.4219 6.4219 6.4800 6.4800 6.4891 6.4891 6.6897 6.6897 6.6953 6.6953 7.4736 7.4736 7.5074 7.5074 7.8653 7.8653 7.8716 7.8716 10.0725 10.0725 10.0742 10.0742 12.6002 12.6002 12.6054 12.6054 13.7756 13.7756 13.7768 13.7768 k = 0.0490 0.5625 0.2441 ( 3820 PWs) bands (ev): -4.7262 -4.7262 -4.7253 -4.7253 2.1804 2.1804 2.1811 2.1811 3.0897 3.0897 3.0909 3.0909 3.6738 3.6738 3.6822 3.6822 4.5207 4.5207 4.5346 4.5346 4.8622 4.8622 4.8846 4.8846 5.1653 5.1653 5.1819 5.1819 5.3766 5.3766 5.3884 5.3884 5.8557 5.8557 5.8661 5.8661 6.3988 6.3988 6.4231 6.4231 6.4779 6.4779 6.4896 6.4896 6.6922 6.6922 6.6993 6.6993 7.4484 7.4484 7.4930 7.4930 7.8648 7.8648 7.8734 7.8734 10.0936 10.0936 10.0960 10.0960 12.6297 12.6297 12.6362 12.6362 13.7539 13.7539 13.7551 13.7551 k = 0.0612 0.5625 0.2441 ( 3822 PWs) bands (ev): -4.7243 -4.7243 -4.7232 -4.7232 2.1865 2.1865 2.1874 2.1874 3.0833 3.0833 3.0849 3.0849 3.6724 3.6724 3.6827 3.6827 4.5189 4.5189 4.5351 4.5351 4.8591 4.8591 4.8873 4.8873 5.1601 5.1601 5.1787 5.1787 5.3749 5.3749 5.3912 5.3912 5.8575 5.8575 5.8706 5.8706 6.3930 6.3930 6.4238 6.4238 6.4758 6.4758 6.4898 6.4898 6.6953 6.6953 6.7039 6.7039 7.4188 7.4188 7.4739 7.4739 7.8644 7.8644 7.8754 7.8754 10.1198 10.1198 10.1232 10.1232 12.6665 12.6665 12.6738 12.6738 13.7277 13.7277 13.7285 13.7285 k = 0.0735 0.5625 0.2441 ( 3824 PWs) bands (ev): -4.7220 -4.7220 -4.7207 -4.7207 2.1940 2.1940 2.1949 2.1949 3.0757 3.0757 3.0778 3.0778 3.6707 3.6707 3.6827 3.6827 4.5174 4.5174 4.5352 4.5352 4.8560 4.8560 4.8900 4.8900 5.1546 5.1546 5.1741 5.1741 5.3732 5.3732 5.3945 5.3945 5.8600 5.8600 5.8758 5.8758 6.3866 6.3866 6.4240 6.4240 6.4739 6.4739 6.4898 6.4898 6.6992 6.6992 6.7092 6.7092 7.3855 7.3855 7.4507 7.4507 7.8642 7.8642 7.8778 7.8778 10.1509 10.1509 10.1553 10.1553 12.7091 12.7091 12.7165 12.7165 13.6982 13.6982 13.6984 13.6984 k = 0.0857 0.5625 0.2441 ( 3832 PWs) bands (ev): -4.7192 -4.7192 -4.7177 -4.7177 2.2026 2.2026 2.2036 2.2036 3.0671 3.0671 3.0697 3.0697 3.6684 3.6684 3.6821 3.6821 4.5162 4.5162 4.5348 4.5348 4.8527 4.8527 4.8927 4.8927 5.1489 5.1489 5.1681 5.1681 5.3713 5.3713 5.3985 5.3985 5.8632 5.8632 5.8816 5.8816 6.3794 6.3794 6.4236 6.4236 6.4720 6.4720 6.4896 6.4896 6.7037 6.7037 6.7148 6.7148 7.3491 7.3491 7.4242 7.4242 7.8642 7.8642 7.8804 7.8804 10.1861 10.1861 10.1918 10.1918 12.7553 12.7553 12.7620 12.7620 13.6662 13.6662 13.6683 13.6683 k = 0.0980 0.5625 0.2441 ( 3832 PWs) bands (ev): -4.7161 -4.7161 -4.7144 -4.7144 2.2124 2.2124 2.2135 2.2135 3.0575 3.0575 3.0609 3.0609 3.6655 3.6655 3.6807 3.6807 4.5155 4.5155 4.5339 4.5339 4.8494 4.8494 4.8954 4.8954 5.1434 5.1434 5.1609 5.1609 5.3694 5.3694 5.4030 5.4030 5.8671 5.8671 5.8882 5.8882 6.3715 6.3715 6.4228 6.4228 6.4705 6.4705 6.4893 6.4893 6.7087 6.7087 6.7208 6.7208 7.3105 7.3105 7.3951 7.3951 7.8644 7.8644 7.8834 7.8834 10.2250 10.2250 10.2321 10.2321 12.8019 12.8019 12.8067 12.8067 13.6355 13.6355 13.6407 13.6407 k = 0.1102 0.5625 0.2441 ( 3836 PWs) bands (ev): -4.7127 -4.7127 -4.7108 -4.7108 2.2233 2.2233 2.2243 2.2243 3.0471 3.0471 3.0514 3.0514 3.6619 3.6619 3.6784 3.6784 4.5153 4.5153 4.5326 4.5326 4.8461 4.8461 4.8981 4.8981 5.1378 5.1378 5.1526 5.1526 5.3675 5.3675 5.4081 5.4081 5.8716 5.8716 5.8954 5.8954 6.3629 6.3629 6.4214 6.4214 6.4692 6.4692 6.4889 6.4889 6.7141 6.7141 6.7271 6.7271 7.2704 7.2704 7.3642 7.3642 7.8648 7.8648 7.8865 7.8865 10.2672 10.2672 10.2758 10.2758 12.8441 12.8441 12.8454 12.8454 13.6109 13.6109 13.6206 13.6206 k = 0.1225 0.5625 0.2441 ( 3840 PWs) bands (ev): -4.7089 -4.7089 -4.7068 -4.7068 2.2351 2.2351 2.2360 2.2360 3.0360 3.0360 3.0415 3.0415 3.6573 3.6573 3.6751 3.6751 4.5156 4.5156 4.5309 4.5309 4.8428 4.8428 4.9007 4.9007 5.1325 5.1325 5.1434 5.1434 5.3657 5.3657 5.4136 5.4136 5.8767 5.8767 5.9033 5.9033 6.3537 6.3537 6.4194 6.4194 6.4681 6.4681 6.4885 6.4885 6.7198 6.7198 6.7334 6.7334 7.2295 7.2295 7.3322 7.3322 7.8654 7.8654 7.8899 7.8899 10.3124 10.3124 10.3224 10.3224 12.8717 12.8717 12.8754 12.8754 13.5985 13.5985 13.6142 13.6142 k = 0.1347 0.5625 0.2441 ( 3840 PWs) bands (ev): -4.7049 -4.7049 -4.7026 -4.7026 2.2477 2.2477 2.2485 2.2485 3.0246 3.0246 3.0313 3.0313 3.6516 3.6516 3.6706 3.6706 4.5165 4.5165 4.5289 4.5289 4.8396 4.8396 4.9034 4.9034 5.1273 5.1273 5.1336 5.1336 5.3641 5.3641 5.4194 5.4194 5.8825 5.8825 5.9118 5.9118 6.3439 6.3439 6.4169 6.4169 6.4673 6.4673 6.4881 6.4881 6.7256 6.7256 6.7398 6.7398 7.1885 7.1885 7.2998 7.2998 7.8661 7.8661 7.8935 7.8935 10.3601 10.3601 10.3718 10.3718 12.8793 12.8793 12.8888 12.8888 13.6050 13.6050 13.6275 13.6275 k = 0.1470 0.5625 0.2441 ( 3846 PWs) bands (ev): -4.7007 -4.7007 -4.6982 -4.6982 2.2610 2.2610 2.2615 2.2615 3.0127 3.0127 3.0210 3.0210 3.6449 3.6449 3.6649 3.6649 4.5179 4.5179 4.5265 4.5265 4.8365 4.8365 4.9062 4.9062 5.1224 5.1224 5.1232 5.1232 5.3626 5.3626 5.4254 5.4254 5.8889 5.8889 5.9210 5.9210 6.3337 6.3337 6.4139 6.4139 6.4667 6.4667 6.4876 6.4876 6.7316 6.7316 6.7461 6.7461 7.1480 7.1480 7.2675 7.2675 7.8670 7.8670 7.8972 7.8972 10.4101 10.4101 10.4234 10.4234 12.8645 12.8645 12.8795 12.8795 13.6349 13.6349 13.6638 13.6638 k = 0.1592 0.5625 0.2441 ( 3844 PWs) bands (ev): -4.6962 -4.6962 -4.6936 -4.6936 2.2748 2.2748 2.2749 2.2749 3.0008 3.0008 3.0108 3.0108 3.6370 3.6370 3.6580 3.6580 4.5199 4.5199 4.5239 4.5239 4.8336 4.8336 4.9089 4.9089 5.1124 5.1124 5.1177 5.1177 5.3614 5.3614 5.4316 5.4316 5.8960 5.8960 5.9309 5.9309 6.3231 6.3231 6.4104 6.4104 6.4662 6.4662 6.4871 6.4871 6.7375 6.7375 6.7524 6.7524 7.1084 7.1084 7.2359 7.2359 7.8680 7.8680 7.9010 7.9010 10.4622 10.4622 10.4772 10.4772 12.8283 12.8283 12.8473 12.8473 13.6878 13.6878 13.7216 13.7216 k = 0.1715 0.5625 0.2441 ( 3846 PWs) bands (ev): -4.6916 -4.6916 -4.6888 -4.6888 2.2885 2.2885 2.2888 2.2888 2.9889 2.9889 3.0010 3.0010 3.6278 3.6278 3.6499 3.6499 4.5211 4.5211 4.5222 4.5222 4.8311 4.8311 4.9118 4.9118 5.1016 5.1016 5.1134 5.1134 5.3604 5.3604 5.4377 5.4377 5.9037 5.9037 5.9413 5.9413 6.3122 6.3122 6.4064 6.4064 6.4659 6.4659 6.4865 6.4865 6.7434 6.7434 6.7584 6.7584 7.0704 7.0704 7.2054 7.2054 7.8691 7.8691 7.9049 7.9049 10.5162 10.5162 10.5329 10.5329 12.7745 12.7745 12.7960 12.7960 13.7593 13.7593 13.7964 13.7964 k = 0.1837 0.5625 0.2441 ( 3848 PWs) bands (ev): -4.6869 -4.6869 -4.6840 -4.6840 2.3020 2.3020 2.3029 2.3029 2.9773 2.9773 2.9917 2.9917 3.6174 3.6174 3.6406 3.6406 4.5182 4.5182 4.5249 4.5249 4.8290 4.8290 4.9148 4.9148 5.0907 5.0907 5.1093 5.1093 5.3597 5.3597 5.4437 5.4437 5.9121 5.9121 5.9524 5.9524 6.3012 6.3012 6.4020 6.4020 6.4658 6.4658 6.4859 6.4859 6.7492 6.7492 6.7642 6.7642 7.0342 7.0342 7.1762 7.1762 7.8702 7.8702 7.9087 7.9087 10.5720 10.5720 10.5903 10.5903 12.7076 12.7076 12.7306 12.7306 13.8432 13.8432 13.8825 13.8825 k = 0.1959 0.5625 0.2441 ( 3850 PWs) bands (ev): -4.6822 -4.6822 -4.6791 -4.6791 2.3152 2.3152 2.3169 2.3169 2.9662 2.9662 2.9833 2.9833 3.6059 3.6059 3.6303 3.6303 4.5153 4.5153 4.5278 4.5278 4.8274 4.8274 4.9180 4.9180 5.0800 5.0800 5.1056 5.1056 5.3592 5.3592 5.4496 5.4496 5.9209 5.9209 5.9640 5.9640 6.2902 6.2902 6.3971 6.3971 6.4656 6.4656 6.4851 6.4851 6.7549 6.7549 6.7696 6.7696 7.0003 7.0003 7.1487 7.1487 7.8714 7.8714 7.9125 7.9125 10.6295 10.6295 10.6493 10.6493 12.6316 12.6316 12.6554 12.6554 13.9340 13.9340 13.9746 13.9746 k = 0.2082 0.5625 0.2441 ( 3844 PWs) bands (ev): -4.6775 -4.6775 -4.6742 -4.6742 2.3278 2.3278 2.3303 2.3303 2.9558 2.9558 2.9759 2.9759 3.5934 3.5934 3.6191 3.6191 4.5123 4.5123 4.5308 4.5308 4.8266 4.8266 4.9215 4.9215 5.0695 5.0695 5.1022 5.1022 5.3589 5.3589 5.4551 5.4551 5.9303 5.9303 5.9762 5.9762 6.2795 6.2795 6.3919 6.3919 6.4655 6.4655 6.4842 6.4842 6.7604 6.7604 6.7749 6.7749 6.9689 6.9689 7.1232 7.1232 7.8724 7.8724 7.9162 7.9162 10.6885 10.6885 10.7097 10.7097 12.5495 12.5495 12.5737 12.5737 14.0261 14.0261 14.0674 14.0674 k = 0.2204 0.5625 0.2441 ( 3836 PWs) bands (ev): -4.6728 -4.6728 -4.6694 -4.6694 2.3395 2.3395 2.3429 2.3429 2.9465 2.9465 2.9698 2.9698 3.5800 3.5800 3.6072 3.6072 4.5093 4.5093 4.5337 4.5337 4.8266 4.8266 4.9252 4.9252 5.0594 5.0594 5.0991 5.0991 5.3589 5.3589 5.4604 5.4604 5.9401 5.9401 5.9887 5.9887 6.2691 6.2691 6.3865 6.3865 6.4654 6.4654 6.4831 6.4831 6.7657 6.7657 6.7797 6.7797 6.9402 6.9402 7.0997 7.0997 7.8733 7.8733 7.9197 7.9197 10.7488 10.7488 10.7714 10.7714 12.4636 12.4636 12.4881 12.4881 14.1142 14.1142 14.1554 14.1554 k = 0.2327 0.5625 0.2441 ( 3842 PWs) bands (ev): -4.6682 -4.6682 -4.6648 -4.6648 2.3500 2.3500 2.3545 2.3545 2.9384 2.9384 2.9651 2.9651 3.5659 3.5659 3.5948 3.5948 4.5063 4.5063 4.5364 4.5364 4.8275 4.8275 4.9292 4.9292 5.0498 5.0498 5.0963 5.0963 5.3589 5.3589 5.4651 5.4651 5.9500 5.9500 6.0014 6.0014 6.2594 6.2594 6.3809 6.3809 6.4652 6.4652 6.4818 6.4818 6.7707 6.7707 6.7843 6.7843 6.9144 6.9144 7.0782 7.0782 7.8740 7.8740 7.9229 7.9229 10.8102 10.8102 10.8339 10.8339 12.3759 12.3759 12.4006 12.4006 14.1926 14.1926 14.2331 14.2331 k = 0.2449 0.5625 0.2441 ( 3840 PWs) bands (ev): -4.6639 -4.6639 -4.6603 -4.6603 2.3590 2.3590 2.3645 2.3645 2.9319 2.9319 2.9623 2.9623 3.5513 3.5513 3.5822 3.5822 4.5033 4.5033 4.5387 4.5387 4.8293 4.8293 4.9335 4.9335 5.0407 5.0407 5.0938 5.0938 5.3589 5.3589 5.4695 5.4695 5.9601 5.9601 6.0144 6.0144 6.2504 6.2504 6.3753 6.3753 6.4650 6.4650 6.4804 6.4804 6.7755 6.7755 6.7885 6.7885 6.8917 6.8917 7.0590 7.0590 7.8744 7.8744 7.9257 7.9257 10.8725 10.8725 10.8970 10.8970 12.2881 12.2881 12.3131 12.3131 14.2557 14.2557 14.2946 14.2946 k = 0.2572 0.5625 0.2441 ( 3836 PWs) bands (ev): -4.6597 -4.6597 -4.6561 -4.6561 2.3663 2.3663 2.3729 2.3729 2.9272 2.9272 2.9614 2.9614 3.5365 3.5365 3.5696 3.5696 4.5004 4.5004 4.5405 4.5405 4.8322 4.8322 4.9381 4.9381 5.0322 5.0322 5.0917 5.0917 5.3589 5.3589 5.4733 5.4733 5.9699 5.9699 6.0273 6.0273 6.2427 6.2427 6.3698 6.3698 6.4647 6.4647 6.4787 6.4787 6.7799 6.7799 6.7924 6.7924 6.8721 6.8721 7.0420 7.0420 7.8744 7.8744 7.9281 7.9281 10.9351 10.9351 10.9601 10.9601 12.2018 12.2018 12.2273 12.2273 14.2989 14.2989 14.3354 14.3354 k = 0.2694 0.5625 0.2441 ( 3840 PWs) bands (ev): -4.6559 -4.6559 -4.6521 -4.6521 2.3717 2.3717 2.3792 2.3792 2.9245 2.9245 2.9625 2.9625 3.5218 3.5218 3.5572 3.5572 4.4975 4.4975 4.5418 4.5418 4.8359 4.8359 4.9430 4.9430 5.0243 5.0243 5.0901 5.0901 5.3588 5.3588 5.4767 5.4767 5.9793 5.9793 6.0399 6.0399 6.2363 6.2363 6.3647 6.3647 6.4642 6.4642 6.4768 6.4768 6.7838 6.7838 6.7960 6.7960 6.8559 6.8559 7.0272 7.0272 7.8739 7.8739 7.9299 7.9299 10.9974 10.9974 11.0223 11.0223 12.1185 12.1185 12.1450 12.1450 14.3204 14.3204 14.3540 14.3540 k = 0.2817 0.5625 0.2441 ( 3842 PWs) bands (ev): -4.6525 -4.6525 -4.6486 -4.6486 2.3751 2.3751 2.3833 2.3833 2.9240 2.9240 2.9657 2.9657 3.5074 3.5074 3.5453 3.5453 4.4946 4.4946 4.5423 4.5423 4.8406 4.8406 4.9481 4.9481 5.0172 5.0172 5.0889 5.0889 5.3586 5.3586 5.4795 5.4795 5.9879 5.9879 6.0519 6.0519 6.2317 6.2317 6.3602 6.3602 6.4638 6.4638 6.4748 6.4748 6.7869 6.7869 6.7995 6.7995 6.8435 6.8435 7.0145 7.0145 7.8729 7.8729 7.9310 7.9310 11.0581 11.0581 11.0821 11.0821 12.0404 12.0404 12.0686 12.0686 14.3216 14.3216 14.3523 14.3523 k = 0.2939 0.5625 0.2441 ( 3842 PWs) bands (ev): -4.6494 -4.6494 -4.6455 -4.6455 2.3764 2.3764 2.3852 2.3852 2.9256 2.9256 2.9709 2.9709 3.4937 3.4937 3.5342 3.5342 4.4918 4.4918 4.5423 4.5423 4.8460 4.8460 4.9534 4.9534 5.0110 5.0110 5.0883 5.0883 5.3581 5.3581 5.4818 5.4818 5.9953 5.9953 6.0631 6.0631 6.2291 6.2291 6.3565 6.3565 6.4633 6.4633 6.4728 6.4728 6.7887 6.7887 6.8028 6.8028 6.8351 6.8351 7.0040 7.0040 7.8712 7.8712 7.9314 7.9314 11.1156 11.1156 11.1376 11.1376 11.9698 11.9698 12.0009 12.0009 14.3061 14.3061 14.3343 14.3343 k = 0.3062 0.5625 0.2441 ( 3840 PWs) bands (ev): -4.6469 -4.6469 -4.6429 -4.6429 2.3756 2.3756 2.3848 2.3848 2.9294 2.9294 2.9780 2.9780 3.4808 3.4808 3.5241 3.5241 4.4889 4.4889 4.5417 4.5417 4.8519 4.8519 4.9585 4.9585 5.0057 5.0057 5.0884 5.0884 5.3575 5.3575 5.4836 5.4836 6.0013 6.0013 6.0731 6.0731 6.2289 6.2289 6.3540 6.3540 6.4627 6.4627 6.4707 6.4707 6.7889 6.7889 6.8061 6.8061 6.8311 6.8311 6.9955 6.9955 7.8686 7.8686 7.9309 7.9309 11.1671 11.1671 11.1854 11.1854 11.9103 11.9103 11.9458 11.9458 14.2784 14.2784 14.3045 14.3045 k = 0.3184 0.5625 0.2441 ( 3838 PWs) bands (ev): -4.6449 -4.6449 -4.6409 -4.6409 2.3731 2.3731 2.3822 2.3822 2.9352 2.9352 2.9867 2.9867 3.4691 3.4691 3.5152 3.5152 4.4860 4.4860 4.5405 4.5405 4.8579 4.8579 4.9635 4.9635 5.0016 5.0016 5.0892 5.0892 5.3566 5.3566 5.4849 5.4849 6.0054 6.0054 6.0816 6.0816 6.2311 6.2311 6.3528 6.3528 6.4623 6.4623 6.4686 6.4686 6.7878 6.7878 6.8094 6.8094 6.8312 6.8312 6.9890 6.9890 7.8652 7.8652 7.9293 7.9293 11.2086 11.2086 11.2214 11.2214 11.8664 11.8664 11.9080 11.9080 14.2419 14.2419 14.2666 14.2666 k = 0.3307 0.5625 0.2441 ( 3838 PWs) bands (ev): -4.6435 -4.6435 -4.6395 -4.6395 2.3689 2.3689 2.3778 2.3778 2.9427 2.9427 2.9967 2.9967 3.4589 3.4589 3.5077 3.5077 4.4831 4.4831 4.5388 4.5388 4.8638 4.8638 4.9681 4.9681 4.9987 4.9987 5.0910 5.0910 5.3555 5.3555 5.4858 5.4858 6.0077 6.0077 6.0882 6.0882 6.2358 6.2358 6.3533 6.3533 6.4619 6.4619 6.4667 6.4667 6.7864 6.7864 6.8128 6.8128 6.8344 6.8344 6.9844 6.9844 7.8608 7.8608 7.9267 7.9267 11.2352 11.2352 11.2412 11.2412 11.8436 11.8436 11.8927 11.8927 14.1996 14.1996 14.2231 14.2231 k = 0.3429 0.5625 0.2441 ( 3848 PWs) bands (ev): -4.6427 -4.6427 -4.6387 -4.6387 2.3633 2.3633 2.3717 2.3717 2.9517 2.9517 3.0077 3.0077 3.4503 3.4503 3.5017 3.5017 4.4801 4.4801 4.5366 4.5366 4.8691 4.8691 4.9720 4.9720 4.9973 4.9973 5.0938 5.0938 5.3541 5.3541 5.4862 5.4862 6.0081 6.0081 6.0926 6.0926 6.2427 6.2427 6.3555 6.3555 6.4616 6.4616 6.4650 6.4650 6.7855 6.7855 6.8165 6.8165 6.8396 6.8396 6.9816 6.9816 7.8551 7.8551 7.9228 7.9228 11.2426 11.2426 11.2435 11.2435 11.8457 11.8457 11.9024 11.9024 14.1535 14.1535 14.1762 14.1762 k = 0.3429 0.5625 0.2441 ( 3848 PWs) bands (ev): -4.6427 -4.6427 -4.6387 -4.6387 2.3633 2.3633 2.3717 2.3717 2.9517 2.9517 3.0077 3.0077 3.4503 3.4503 3.5017 3.5017 4.4801 4.4801 4.5366 4.5366 4.8691 4.8691 4.9720 4.9720 4.9973 4.9973 5.0938 5.0938 5.3541 5.3541 5.4862 5.4862 6.0081 6.0081 6.0926 6.0926 6.2427 6.2427 6.3555 6.3555 6.4616 6.4616 6.4650 6.4650 6.7855 6.7855 6.8165 6.8165 6.8396 6.8396 6.9816 6.9816 7.8551 7.8551 7.9228 7.9228 11.2426 11.2426 11.2435 11.2435 11.8457 11.8457 11.9024 11.9024 14.1535 14.1535 14.1762 14.1762 k = 0.3366 0.5521 0.2441 ( 3838 PWs) bands (ev): -4.6438 -4.6438 -4.6398 -4.6398 2.3748 2.3748 2.3844 2.3844 2.9337 2.9337 2.9864 2.9864 3.4655 3.4655 3.5122 3.5122 4.4855 4.4855 4.5404 4.5404 4.8600 4.8600 4.9650 4.9650 4.9990 4.9990 5.0879 5.0879 5.3569 5.3569 5.4855 5.4855 6.0086 6.0086 6.0853 6.0853 6.2283 6.2283 6.3506 6.3506 6.4620 6.4620 6.4681 6.4681 6.7856 6.7856 6.8092 6.8092 6.8301 6.8301 6.9865 6.9865 7.8661 7.8661 7.9305 7.9305 11.2384 11.2384 11.2514 11.2514 11.8274 11.8274 11.8691 11.8691 14.2387 14.2387 14.2629 14.2629 k = 0.3302 0.5417 0.2441 ( 3838 PWs) bands (ev): -4.6455 -4.6455 -4.6416 -4.6416 2.3857 2.3857 2.3967 2.3967 2.9165 2.9165 2.9661 2.9661 3.4817 3.4817 3.5238 3.5238 4.4900 4.4900 4.5429 4.5429 4.8511 4.8511 4.9574 4.9574 5.0017 5.0017 5.0831 5.0831 5.3594 5.3594 5.4845 5.4845 6.0079 6.0079 6.0761 6.0761 6.2162 6.2162 6.3480 6.3480 6.4628 6.4628 6.4714 6.4714 6.7832 6.7832 6.8018 6.8018 6.8262 6.8262 6.9938 6.9938 7.8750 7.8750 7.9360 7.9360 11.2195 11.2195 11.2479 11.2479 11.8296 11.8296 11.8550 11.8550 14.3111 14.3111 14.3375 14.3375 k = 0.3239 0.5313 0.2441 ( 3846 PWs) bands (ev): -4.6480 -4.6480 -4.6441 -4.6441 2.3961 2.3961 2.4084 2.4084 2.9003 2.9003 2.9473 2.9473 3.4986 3.4986 3.5362 3.5362 4.4937 4.4937 4.5440 4.5440 4.8427 4.8427 4.9492 4.9492 5.0053 5.0053 5.0792 5.0792 5.3616 5.3616 5.4830 5.4830 6.0053 6.0053 6.0651 6.0651 6.2072 6.2072 6.3477 6.3477 6.4638 6.4638 6.4749 6.4749 6.7778 6.7778 6.7946 6.7946 6.8286 6.8286 7.0033 7.0033 7.8819 7.8819 7.9392 7.9392 11.1897 11.1897 11.2326 11.2326 11.8496 11.8496 11.8599 11.8599 14.3695 14.3695 14.3985 14.3985 k = 0.3175 0.5208 0.2441 ( 3846 PWs) bands (ev): -4.6512 -4.6512 -4.6473 -4.6473 2.4059 2.4059 2.4197 2.4197 2.8856 2.8856 2.9301 2.9301 3.5160 3.5160 3.5494 3.5494 4.4967 4.4967 4.5439 4.5439 4.8346 4.8346 4.9407 4.9407 5.0096 5.0096 5.0764 5.0764 5.3634 5.3634 5.4810 5.4810 6.0005 6.0005 6.0525 6.0525 6.2016 6.2016 6.3495 6.3495 6.4651 6.4651 6.4786 6.4786 6.7709 6.7709 6.7880 6.7880 6.8358 6.8358 7.0150 7.0150 7.8866 7.8866 7.9401 7.9401 11.1532 11.1532 11.2082 11.2082 11.8812 11.8812 11.8834 11.8834 14.4128 14.4128 14.4449 14.4449 k = 0.3112 0.5104 0.2441 ( 3850 PWs) bands (ev): -4.6551 -4.6551 -4.6513 -4.6513 2.4153 2.4153 2.4305 2.4305 2.8724 2.8724 2.9147 2.9147 3.5338 3.5338 3.5632 3.5632 4.4989 4.4989 4.5427 4.5427 4.8270 4.8270 4.9318 4.9318 5.0144 5.0144 5.0744 5.0744 5.3647 5.3647 5.4786 5.4786 5.9933 5.9933 6.0386 6.0386 6.1998 6.1998 6.3531 6.3531 6.4664 6.4664 6.4826 6.4826 6.7639 6.7639 6.7821 6.7821 6.8466 6.8466 7.0288 7.0288 7.8892 7.8892 7.9386 7.9386 11.1138 11.1138 11.1784 11.1784 11.9153 11.9153 11.9274 11.9274 14.4406 14.4406 14.4762 14.4762 k = 0.3048 0.5000 0.2441 ( 3858 PWs) bands (ev): -4.6599 -4.6599 -4.6562 -4.6562 2.4242 2.4242 2.4409 2.4409 2.8609 2.8609 2.9012 2.9012 3.5516 3.5516 3.5773 3.5773 4.5003 4.5003 4.5403 4.5403 4.8197 4.8197 4.9226 4.9226 5.0196 5.0196 5.0731 5.0731 5.3654 5.3654 5.4755 5.4755 5.9839 5.9839 6.0238 6.0238 6.2016 6.2016 6.3581 6.3581 6.4678 6.4678 6.4868 6.4868 6.7577 6.7577 6.7772 6.7772 6.8601 6.8601 7.0444 7.0444 7.8895 7.8895 7.9348 7.9348 11.0744 11.0744 11.1465 11.1465 11.9590 11.9590 11.9786 11.9786 14.4529 14.4529 14.4919 14.4919 k = 0.2985 0.4896 0.2441 ( 3850 PWs) bands (ev): -4.6655 -4.6655 -4.6619 -4.6619 2.4328 2.4328 2.4510 2.4510 2.8511 2.8511 2.8897 2.8897 3.5695 3.5695 3.5916 3.5916 4.5011 4.5011 4.5369 4.5369 4.8129 4.8129 4.9133 4.9133 5.0249 5.0249 5.0725 5.0725 5.3655 5.3655 5.4719 5.4719 5.9725 5.9725 6.0083 6.0083 6.2067 6.2067 6.3644 6.3644 6.4692 6.4692 6.4912 6.4912 6.7528 6.7528 6.7733 6.7733 6.8763 6.8763 7.0621 7.0621 7.8877 7.8877 7.9288 7.9288 11.0370 11.0370 11.1150 11.1150 12.0099 12.0099 12.0353 12.0353 14.4503 14.4503 14.4926 14.4926 k = 0.2921 0.4792 0.2441 ( 3854 PWs) bands (ev): -4.6719 -4.6719 -4.6684 -4.6684 2.4412 2.4412 2.4609 2.4609 2.8431 2.8431 2.8801 2.8801 3.5872 3.5872 3.6059 3.6059 4.5011 4.5011 4.5327 4.5327 4.8064 4.8064 4.9038 4.9038 5.0303 5.0303 5.0722 5.0722 5.3650 5.3650 5.4674 5.4674 5.9597 5.9597 5.9925 5.9925 6.2144 6.2144 6.3712 6.3712 6.4706 6.4706 6.4959 6.4959 6.7494 6.7494 6.7707 6.7707 6.8948 6.8948 7.0817 7.0817 7.8839 7.8839 7.9206 7.9206 11.0029 11.0029 11.0856 11.0856 12.0660 12.0660 12.0959 12.0959 14.4335 14.4335 14.4788 14.4788 k = 0.2858 0.4688 0.2441 ( 3862 PWs) bands (ev): -4.6792 -4.6792 -4.6759 -4.6759 2.4495 2.4495 2.4708 2.4708 2.8370 2.8370 2.8726 2.8726 3.6045 3.6045 3.6200 3.6200 4.5004 4.5004 4.5277 4.5277 4.8003 4.8003 4.8945 4.8945 5.0354 5.0354 5.0723 5.0723 5.3637 5.3637 5.4623 5.4623 5.9457 5.9457 5.9764 5.9764 6.2241 6.2241 6.3783 6.3783 6.4719 6.4719 6.5009 6.5009 6.7479 6.7479 6.7696 6.7696 6.9157 6.9157 7.1032 7.1032 7.8780 7.8780 7.9103 7.9103 10.9730 10.9730 11.0595 11.0595 12.1262 12.1262 12.1595 12.1595 14.4041 14.4041 14.4517 14.4517 k = 0.2794 0.4583 0.2441 ( 3872 PWs) bands (ev): -4.6874 -4.6874 -4.6842 -4.6842 2.4581 2.4581 2.4808 2.4808 2.8325 2.8325 2.8668 2.8668 3.6213 3.6213 3.6338 3.6338 4.4991 4.4991 4.5221 4.5221 4.7945 4.7945 4.8853 4.8853 5.0402 5.0402 5.0724 5.0724 5.3617 5.3617 5.4564 5.4564 5.9310 5.9310 5.9602 5.9602 6.2353 6.2353 6.3853 6.3853 6.4732 6.4732 6.5063 6.5063 6.7484 6.7484 6.7699 6.7699 6.9390 6.9390 7.1266 7.1266 7.8702 7.8702 7.8982 7.8982 10.9476 10.9476 11.0374 11.0374 12.1894 12.1894 12.2256 12.2256 14.3633 14.3633 14.4127 14.4127 k = 0.2731 0.4479 0.2441 ( 3868 PWs) bands (ev): -4.6965 -4.6965 -4.6934 -4.6934 2.4670 2.4670 2.4912 2.4912 2.8296 2.8296 2.8628 2.8628 3.6373 3.6373 3.6472 3.6472 4.4973 4.4973 4.5160 4.5160 4.7890 4.7890 4.8764 4.8764 5.0447 5.0447 5.0726 5.0726 5.3591 5.3591 5.4497 5.4497 5.9159 5.9159 5.9440 5.9440 6.2477 6.2477 6.3921 6.3921 6.4747 6.4747 6.5120 6.5120 6.7513 6.7513 6.7719 6.7719 6.9646 6.9646 7.1520 7.1520 7.8609 7.8609 7.8845 7.8845 10.9272 10.9272 11.0198 11.0198 12.2550 12.2550 12.2934 12.2934 14.3129 14.3129 14.3633 14.3633 k = 0.2667 0.4375 0.2441 ( 3868 PWs) bands (ev): -4.7064 -4.7064 -4.7035 -4.7035 2.4765 2.4765 2.5023 2.5023 2.8282 2.8282 2.8604 2.8604 3.6525 3.6525 3.6600 3.6600 4.4950 4.4950 4.5095 4.5095 4.7837 4.7837 4.8679 4.8679 5.0487 5.0487 5.0726 5.0726 5.3559 5.3559 5.4423 5.4423 5.9003 5.9003 5.9279 5.9279 6.2607 6.2607 6.3982 6.3982 6.4763 6.4763 6.5179 6.5179 6.7566 6.7566 6.7757 6.7757 6.9927 6.9927 7.1794 7.1794 7.8502 7.8502 7.8695 7.8695 10.9119 10.9119 11.0068 11.0068 12.3224 12.3224 12.3626 12.3626 14.2541 14.2541 14.3051 14.3051 k = 0.2604 0.4271 0.2441 ( 3868 PWs) bands (ev): -4.7172 -4.7172 -4.7145 -4.7145 2.4869 2.4869 2.5141 2.5141 2.8281 2.8281 2.8595 2.8595 3.6667 3.6667 3.6719 3.6719 4.4921 4.4921 4.5026 4.5026 4.7787 4.7787 4.8597 4.8597 5.0520 5.0520 5.0723 5.0723 5.3520 5.3520 5.4341 5.4341 5.8845 5.8845 5.9119 5.9119 6.2740 6.2740 6.4036 6.4036 6.4783 6.4783 6.5241 6.5241 6.7644 6.7644 6.7812 6.7812 7.0233 7.0233 7.2088 7.2088 7.8383 7.8383 7.8536 7.8536 10.9016 10.9016 10.9984 10.9984 12.3911 12.3911 12.4327 12.4327 14.1884 14.1884 14.2394 14.2394 k = 0.2540 0.4167 0.2441 ( 3864 PWs) bands (ev): -4.7289 -4.7289 -4.7263 -4.7263 2.4981 2.4981 2.5269 2.5269 2.8292 2.8292 2.8598 2.8598 3.6797 3.6797 3.6830 3.6830 4.4889 4.4889 4.4955 4.4955 4.7740 4.7740 4.8521 4.8521 5.0547 5.0547 5.0717 5.0717 5.3476 5.3476 5.4252 5.4252 5.8685 5.8685 5.8960 5.8960 6.2871 6.2871 6.4082 6.4082 6.4808 6.4808 6.5304 6.5304 6.7746 6.7746 6.7884 6.7884 7.0563 7.0563 7.2403 7.2403 7.8257 7.8257 7.8370 7.8370 10.8963 10.8963 10.9947 10.9947 12.4609 12.4609 12.5034 12.5034 14.1170 14.1170 14.1676 14.1676 k = 0.2477 0.4063 0.2441 ( 3860 PWs) bands (ev): -4.7414 -4.7414 -4.7390 -4.7390 2.5105 2.5105 2.5408 2.5408 2.8314 2.8314 2.8614 2.8614 3.6915 3.6915 3.6930 3.6930 4.4853 4.4853 4.4883 4.4883 4.7694 4.7694 4.8451 4.8451 5.0567 5.0567 5.0707 5.0707 5.3425 5.3425 5.4155 5.4155 5.8522 5.8522 5.8801 5.8801 6.2998 6.2998 6.4122 6.4122 6.4839 6.4839 6.5367 6.5367 6.7870 6.7870 6.7972 6.7972 7.0920 7.0920 7.2738 7.2738 7.8127 7.8127 7.8201 7.8201 10.8957 10.8957 10.9953 10.9953 12.5312 12.5312 12.5742 12.5742 14.0411 14.0411 14.0909 14.0909 k = 0.2413 0.3958 0.2441 ( 3864 PWs) bands (ev): -4.7546 -4.7546 -4.7524 -4.7524 2.5242 2.5242 2.5560 2.5560 2.8344 2.8344 2.8640 2.8640 3.7018 3.7018 3.7019 3.7019 4.4810 4.4810 4.4814 4.4814 4.7648 4.7648 4.8386 4.8386 5.0580 5.0580 5.0691 5.0691 5.3368 5.3368 5.4053 5.4053 5.8357 5.8357 5.8643 5.8643 6.3118 6.3118 6.4154 6.4154 6.4879 6.4879 6.5429 6.5429 6.8015 6.8015 6.8076 6.8076 7.1301 7.1301 7.3093 7.3093 7.7997 7.7997 7.8034 7.8034 10.8997 10.8997 11.0002 11.0002 12.6016 12.6016 12.6449 12.6449 13.9616 13.9616 14.0103 14.0103 k = 0.2350 0.3854 0.2441 ( 3860 PWs) bands (ev): -4.7686 -4.7686 -4.7666 -4.7666 2.5391 2.5391 2.5727 2.5727 2.8383 2.8383 2.8675 2.8675 3.7094 3.7094 3.7107 3.7107 4.4737 4.4737 4.4772 4.4772 4.7604 4.7604 4.8327 4.8327 5.0586 5.0586 5.0671 5.0671 5.3306 5.3306 5.3945 5.3945 5.8191 5.8191 5.8486 5.8486 6.3229 6.3229 6.4182 6.4182 6.4928 6.4928 6.5491 6.5491 6.8176 6.8176 6.8194 6.8194 7.1709 7.1709 7.3468 7.3468 7.7870 7.7870 7.7874 7.7874 10.9080 10.9080 11.0089 11.0089 12.6719 12.6719 12.7149 12.7149 13.8796 13.8796 13.9269 13.9269 k = 0.2286 0.3750 0.2441 ( 3860 PWs) bands (ev): -4.7834 -4.7834 -4.7815 -4.7815 2.5555 2.5555 2.5908 2.5908 2.8428 2.8428 2.8718 2.8718 3.7157 3.7157 3.7180 3.7180 4.4665 4.4665 4.4728 4.4728 4.7560 4.7560 4.8274 4.8274 5.0585 5.0585 5.0647 5.0647 5.3237 5.3237 5.3832 5.3832 5.8022 5.8022 5.8329 5.8329 6.3331 6.3331 6.4207 6.4207 6.4987 6.4987 6.5551 6.5551 6.8324 6.8324 6.8349 6.8349 7.2143 7.2143 7.3862 7.3862 7.7727 7.7727 7.7753 7.7753 10.9201 10.9201 11.0212 11.0212 12.7415 12.7415 12.7838 12.7838 13.7958 13.7958 13.8417 13.8417 k = 0.2223 0.3646 0.2441 ( 3860 PWs) bands (ev): -4.7987 -4.7987 -4.7971 -4.7971 2.5733 2.5733 2.6104 2.6104 2.8480 2.8480 2.8770 2.8770 3.7206 3.7206 3.7237 3.7237 4.4595 4.4595 4.4683 4.4683 4.7516 4.7516 4.8227 4.8227 5.0577 5.0577 5.0617 5.0617 5.3162 5.3162 5.3714 5.3714 5.7853 5.7853 5.8172 5.8172 6.3422 6.3422 6.4229 6.4229 6.5056 6.5056 6.5611 6.5611 6.8462 6.8462 6.8529 6.8529 7.2602 7.2602 7.4273 7.4273 7.7597 7.7597 7.7649 7.7649 10.9359 10.9359 11.0366 11.0366 12.8099 12.8099 12.8510 12.8510 13.7112 13.7112 13.7555 13.7555 k = 0.2159 0.3542 0.2441 ( 3856 PWs) bands (ev): -4.8147 -4.8147 -4.8132 -4.8132 2.5924 2.5924 2.6314 2.6314 2.8538 2.8538 2.8828 2.8828 3.7240 3.7240 3.7277 3.7277 4.4528 4.4528 4.4638 4.4638 4.7471 4.7471 4.8185 4.8185 5.0562 5.0562 5.0584 5.0584 5.3080 5.3080 5.3594 5.3594 5.7683 5.7683 5.8016 5.8016 6.3504 6.3504 6.4250 6.4250 6.5134 6.5134 6.5670 6.5670 6.8605 6.8605 6.8710 6.8710 7.3087 7.3087 7.4700 7.4700 7.7493 7.7493 7.7564 7.7564 10.9547 10.9547 11.0547 11.0547 12.8766 12.8766 12.9157 12.9157 13.6267 13.6267 13.6696 13.6696 k = 0.2096 0.3438 0.2441 ( 3844 PWs) bands (ev): -4.8313 -4.8313 -4.8299 -4.8299 2.6129 2.6129 2.6539 2.6539 2.8601 2.8601 2.8894 2.8894 3.7260 3.7260 3.7301 3.7301 4.4464 4.4464 4.4593 4.4593 4.7425 4.7425 4.8149 4.8149 5.0542 5.0542 5.0547 5.0547 5.2991 5.2991 5.3471 5.3471 5.7513 5.7513 5.7860 5.7860 6.3579 6.3579 6.4272 6.4272 6.5218 6.5218 6.5727 6.5727 6.8750 6.8750 6.8889 6.8889 7.3596 7.3596 7.5138 7.5138 7.7423 7.7423 7.7503 7.7503 10.9763 10.9763 11.0751 11.0751 12.9405 12.9405 12.9767 12.9767 13.5435 13.5435 13.5853 13.5853 k = 0.2032 0.3333 0.2441 ( 3844 PWs) bands (ev): -4.8483 -4.8483 -4.8471 -4.8471 2.6345 2.6345 2.6776 2.6776 2.8671 2.8671 2.8968 2.8968 3.7265 3.7265 3.7308 3.7308 4.4402 4.4402 4.4548 4.4548 4.7376 4.7376 4.8117 4.8117 5.0506 5.0506 5.0518 5.0518 5.2895 5.2895 5.3346 5.3346 5.7343 5.7343 5.7703 5.7703 6.3647 6.3647 6.4295 6.4295 6.5308 6.5308 6.5783 6.5783 6.8892 6.8892 6.9058 6.9058 7.4129 7.4129 7.5578 7.5578 7.7400 7.7400 7.7471 7.7471 11.0001 11.0001 11.0972 11.0972 13.0001 13.0001 13.0319 13.0319 13.4637 13.4637 13.5052 13.5052 k = 0.1969 0.3229 0.2441 ( 3834 PWs) bands (ev): -4.8658 -4.8658 -4.8648 -4.8648 2.6571 2.6571 2.7023 2.7023 2.8750 2.8750 2.9050 2.9050 3.7255 3.7255 3.7299 3.7299 4.4345 4.4345 4.4505 4.4505 4.7325 4.7325 4.8089 4.8089 5.0464 5.0464 5.0489 5.0489 5.2791 5.2791 5.3221 5.3221 5.7174 5.7174 5.7547 5.7547 6.3710 6.3710 6.4319 6.4319 6.5400 6.5400 6.5838 6.5838 6.9027 6.9027 6.9215 6.9215 7.4684 7.4684 7.6006 7.6006 7.7445 7.7445 7.7474 7.7474 11.0255 11.0255 11.1205 11.1205 13.0519 13.0519 13.0768 13.0768 13.3909 13.3909 13.4340 13.4340 k = 0.1905 0.3125 0.2441 ( 3834 PWs) bands (ev): -4.8837 -4.8837 -4.8828 -4.8828 2.6804 2.6804 2.7276 2.7276 2.8839 2.8839 2.9142 2.9142 3.7230 3.7230 3.7273 3.7273 4.4291 4.4291 4.4464 4.4464 4.7270 4.7270 4.8064 4.8064 5.0419 5.0419 5.0457 5.0457 5.2681 5.2681 5.3098 5.3098 5.7007 5.7007 5.7391 5.7391 6.3770 6.3770 6.4345 6.4345 6.5494 6.5494 6.5892 6.5892 6.9150 6.9150 6.9354 6.9354 7.5258 7.5258 7.6390 7.6390 7.7516 7.7516 7.7589 7.7589 11.0520 11.0520 11.1443 11.1443 13.0867 13.0867 13.1013 13.1013 13.3346 13.3346 13.3821 13.3821 k = 0.1842 0.3021 0.2441 ( 3842 PWs) bands (ev): -4.9018 -4.9018 -4.9010 -4.9010 2.7040 2.7040 2.7529 2.7529 2.8943 2.8943 2.9246 2.9246 3.7191 3.7191 3.7232 3.7232 4.4241 4.4241 4.4425 4.4425 4.7210 4.7210 4.8041 4.8041 5.0373 5.0373 5.0422 5.0422 5.2564 5.2564 5.2977 5.2977 5.6843 5.6843 5.7234 5.7234 6.3828 6.3828 6.4373 6.4373 6.5588 6.5588 6.5944 6.5944 6.9257 6.9257 6.9472 6.9472 7.5848 7.5848 7.6704 7.6704 7.7604 7.7604 7.7865 7.7865 11.0791 11.0791 11.1680 11.1680 13.0870 13.0870 13.0913 13.0913 13.3129 13.3129 13.3641 13.3641 k = 0.1778 0.2917 0.2441 ( 3842 PWs) bands (ev): -4.9202 -4.9202 -4.9195 -4.9195 2.7276 2.7276 2.7774 2.7774 2.9069 2.9069 2.9366 2.9366 3.7138 3.7138 3.7177 3.7177 4.4195 4.4195 4.4389 4.4389 4.7146 4.7146 4.8020 4.8020 5.0326 5.0326 5.0387 5.0387 5.2443 5.2443 5.2860 5.2860 5.6681 5.6681 5.7077 5.7077 6.3886 6.3886 6.4403 6.4403 6.5680 6.5680 6.5995 6.5995 6.9346 6.9346 6.9566 6.9566 7.6448 7.6448 7.6954 7.6954 7.7744 7.7744 7.8266 7.8266 11.1059 11.1059 11.1909 11.1909 13.0475 13.0475 13.0485 13.0485 13.3305 13.3305 13.3797 13.3797 k = 0.1715 0.2813 0.2441 ( 3842 PWs) bands (ev): -4.9387 -4.9387 -4.9382 -4.9382 2.7506 2.7506 2.8001 2.8001 2.9226 2.9226 2.9504 2.9504 3.7073 3.7073 3.7108 3.7108 4.4154 4.4154 4.4356 4.4356 4.7076 4.7076 4.8000 4.8000 5.0277 5.0277 5.0351 5.0351 5.2319 5.2319 5.2749 5.2749 5.6523 5.6523 5.6920 5.6920 6.3943 6.3943 6.4435 6.4435 6.5770 6.5770 6.6044 6.6044 6.9413 6.9413 6.9636 6.9636 7.7045 7.7045 7.7183 7.7183 7.7949 7.7949 7.8752 7.8752 11.1317 11.1317 11.2120 11.2120 12.9865 12.9865 12.9913 12.9913 13.3680 13.3680 13.4129 13.4129 k = 0.1651 0.2708 0.2441 ( 3840 PWs) bands (ev): -4.9573 -4.9573 -4.9569 -4.9569 2.7724 2.7724 2.8200 2.8200 2.9423 2.9423 2.9665 2.9665 3.6996 3.6996 3.7027 3.7027 4.4117 4.4117 4.4326 4.4326 4.6999 4.6999 4.7980 4.7980 5.0227 5.0227 5.0317 5.0317 5.2194 5.2194 5.2646 5.2646 5.6368 5.6368 5.6761 5.6761 6.4001 6.4001 6.4470 6.4470 6.5856 6.5856 6.6092 6.6092 6.9458 6.9458 6.9681 6.9681 7.7424 7.7424 7.7608 7.7608 7.8247 7.8247 7.9288 7.9288 11.1556 11.1556 11.2306 11.2306 12.9202 12.9202 12.9294 12.9294 13.4119 13.4119 13.4525 13.4525 k = 0.1588 0.2604 0.2441 ( 3840 PWs) bands (ev): -4.9759 -4.9759 -4.9756 -4.9756 2.7925 2.7925 2.8364 2.8364 2.9664 2.9664 2.9852 2.9852 3.6909 3.6909 3.6935 3.6935 4.4084 4.4084 4.4299 4.4299 4.6915 4.6915 4.7958 4.7958 5.0175 5.0175 5.0285 5.0285 5.2071 5.2071 5.2550 5.2550 5.6217 5.6217 5.6602 5.6602 6.4059 6.4059 6.4505 6.4505 6.5939 6.5939 6.6137 6.6137 6.9481 6.9481 6.9702 6.9702 7.7694 7.7694 7.8081 7.8081 7.8690 7.8690 7.9853 7.9853 11.1768 11.1768 11.2456 11.2456 12.8542 12.8542 12.8688 12.8688 13.4572 13.4572 13.4939 13.4939 k = 0.1524 0.2500 0.2441 ( 3836 PWs) bands (ev): -4.9944 -4.9944 -4.9942 -4.9942 2.8105 2.8105 2.8496 2.8496 2.9945 2.9945 3.0069 3.0069 3.6812 3.6812 3.6833 3.6833 4.4055 4.4055 4.4275 4.4275 4.6825 4.6825 4.7933 4.7933 5.0121 5.0121 5.0255 5.0255 5.1952 5.1952 5.2464 5.2464 5.6069 5.6069 5.6442 5.6442 6.4118 6.4118 6.4542 6.4542 6.6017 6.6017 6.6180 6.6180 6.9482 6.9482 6.9701 6.9701 7.8002 7.8002 7.8477 7.8477 7.9265 7.9265 8.0438 8.0438 11.1941 11.1941 11.2562 11.2562 12.7914 12.7914 12.8123 12.8123 13.5019 13.5019 13.5349 13.5349 k = 0.1461 0.2396 0.2441 ( 3828 PWs) bands (ev): -5.0128 -5.0128 -5.0127 -5.0127 2.8263 2.8263 2.8601 2.8601 3.0258 3.0258 3.0313 3.0313 3.6707 3.6707 3.6723 3.6723 4.4029 4.4029 4.4254 4.4254 4.6728 4.6728 4.7905 4.7905 5.0065 5.0065 5.0230 5.0230 5.1842 5.1842 5.2387 5.2387 5.5925 5.5925 5.6280 5.6280 6.4178 6.4178 6.4581 6.4581 6.6090 6.6090 6.6222 6.6222 6.9464 6.9464 6.9680 6.9680 7.8348 7.8348 7.8859 7.8859 7.9899 7.9899 8.1035 8.1035 11.2065 11.2065 11.2612 11.2612 12.7335 12.7335 12.7613 12.7613 13.5453 13.5453 13.5749 13.5749 k = 0.1397 0.2292 0.2441 ( 3824 PWs) bands (ev): -5.0310 -5.0310 -5.0309 -5.0309 2.8399 2.8399 2.8687 2.8687 3.0585 3.0585 3.0595 3.0595 3.6595 3.6595 3.6606 3.6606 4.4006 4.4006 4.4235 4.4235 4.6624 4.6624 4.7872 4.7872 5.0005 5.0005 5.0209 5.0209 5.1741 5.1741 5.2321 5.2321 5.5785 5.5785 5.6117 5.6117 6.4239 6.4239 6.4620 6.4620 6.6159 6.6159 6.6261 6.6261 6.9428 6.9428 6.9641 6.9641 7.8732 7.8732 7.9259 7.9259 8.0556 8.0556 8.1639 8.1639 11.2130 11.2130 11.2598 11.2598 12.6819 12.6819 12.7171 12.7171 13.5873 13.5873 13.6135 13.6135 k = 0.1334 0.2188 0.2441 ( 3830 PWs) bands (ev): -5.0489 -5.0489 -5.0489 -5.0489 2.8514 2.8514 2.8758 2.8758 3.0878 3.0878 3.0948 3.0948 3.6478 3.6478 3.6484 3.6484 4.3985 4.3985 4.4219 4.4219 4.6514 4.6514 4.7832 4.7832 4.9944 4.9944 5.0193 5.0193 5.1653 5.1653 5.2265 5.2265 5.5647 5.5647 5.5953 5.5953 6.4300 6.4300 6.4659 6.4659 6.6222 6.6222 6.6298 6.6298 6.9378 6.9378 6.9588 6.9588 7.9152 7.9152 7.9686 7.9686 8.1222 8.1222 8.2246 8.2246 11.2125 11.2125 11.2514 11.2514 12.6377 12.6377 12.6802 12.6802 13.6277 13.6277 13.6507 13.6507 k = 0.1270 0.2083 0.2441 ( 3822 PWs) bands (ev): -5.0665 -5.0665 -5.0664 -5.0664 2.8612 2.8612 2.8819 2.8819 3.1189 3.1189 3.1312 3.1312 3.6357 3.6357 3.6358 3.6358 4.3968 4.3968 4.4205 4.4205 4.6399 4.6399 4.7784 4.7784 4.9882 4.9882 5.0182 5.0182 5.1579 5.1579 5.2219 5.2219 5.5513 5.5513 5.5788 5.5788 6.4363 6.4363 6.4698 6.4698 6.6281 6.6281 6.6334 6.6334 6.9316 6.9316 6.9522 6.9522 7.9605 7.9605 8.0140 8.0140 8.1890 8.1890 8.2854 8.2854 11.2043 11.2043 11.2354 11.2354 12.6014 12.6014 12.6511 12.6511 13.6667 13.6667 13.6866 13.6866 k = 0.1207 0.1979 0.2441 ( 3832 PWs) bands (ev): -5.0838 -5.0838 -5.0836 -5.0836 2.8696 2.8696 2.8871 2.8871 3.1513 3.1513 3.1680 3.1680 3.6229 3.6229 3.6234 3.6234 4.3951 4.3951 4.4192 4.4192 4.6282 4.6282 4.7726 4.7726 4.9821 4.9821 5.0175 5.0175 5.1520 5.1520 5.2183 5.2183 5.5381 5.5381 5.5622 5.5622 6.4424 6.4424 6.4737 6.4737 6.6335 6.6335 6.6367 6.6367 6.9243 6.9243 6.9447 6.9447 8.0089 8.0089 8.0620 8.0620 8.2553 8.2553 8.3456 8.3456 11.1880 11.1880 11.2117 11.2117 12.5735 12.5735 12.6295 12.6295 13.7046 13.7046 13.7213 13.7213 k = 0.1143 0.1875 0.2441 ( 3832 PWs) bands (ev): -5.1005 -5.1005 -5.1002 -5.1002 2.8768 2.8768 2.8917 2.8917 3.1844 3.1844 3.2051 3.2051 3.6100 3.6100 3.6110 3.6110 4.3935 4.3935 4.4180 4.4180 4.6163 4.6163 4.7658 4.7658 4.9763 4.9763 5.0174 5.0174 5.1475 5.1475 5.2157 5.2157 5.5252 5.5252 5.5456 5.5456 6.4487 6.4487 6.4776 6.4776 6.6385 6.6385 6.6399 6.6399 6.9163 6.9163 6.9364 6.9364 8.0600 8.0600 8.1124 8.1124 8.3210 8.3210 8.4052 8.4052 11.1634 11.1634 11.1806 11.1806 12.5537 12.5537 12.6151 12.6151 13.7414 13.7414 13.7552 13.7552 k = 0.1080 0.1771 0.2441 ( 3830 PWs) bands (ev): -5.1166 -5.1166 -5.1164 -5.1164 2.8830 2.8830 2.8958 2.8958 3.2180 3.2180 3.2420 3.2420 3.5971 3.5971 3.5988 3.5988 4.3920 4.3920 4.4170 4.4170 4.6044 4.6044 4.7579 4.7579 4.9710 4.9710 5.0177 5.0177 5.1445 5.1445 5.2139 5.2139 5.5125 5.5125 5.5289 5.5289 6.4549 6.4549 6.4815 6.4815 6.6430 6.6430 6.6431 6.6431 6.9078 6.9078 6.9276 6.9276 8.1136 8.1136 8.1650 8.1650 8.3855 8.3855 8.4637 8.4637 11.1308 11.1308 11.1425 11.1425 12.5416 12.5416 12.6070 12.6070 13.7776 13.7776 13.7884 13.7884 k = 0.1016 0.1667 0.2441 ( 3836 PWs) bands (ev): -5.1322 -5.1322 -5.1319 -5.1319 2.8884 2.8884 2.8994 2.8994 3.2515 3.2515 3.2782 3.2782 3.5845 3.5845 3.5869 3.5869 4.3905 4.3905 4.4159 4.4159 4.5928 4.5928 4.7488 4.7488 4.9666 4.9666 5.0183 5.0183 5.1427 5.1427 5.2130 5.2130 5.5002 5.5002 5.5123 5.5123 6.4610 6.4610 6.4852 6.4852 6.6460 6.6460 6.6473 6.6473 6.8988 6.8988 6.9183 6.9183 8.1692 8.1692 8.2193 8.2193 8.4486 8.4486 8.5208 8.5208 11.0910 11.0910 11.0984 11.0984 12.5363 12.5363 12.6043 12.6043 13.8133 13.8133 13.8212 13.8212 k = 0.0953 0.1563 0.2441 ( 3828 PWs) bands (ev): -5.1471 -5.1471 -5.1468 -5.1468 2.8931 2.8931 2.9026 2.9026 3.2847 3.2847 3.3134 3.3134 3.5724 3.5724 3.5756 3.5756 4.3889 4.3889 4.4148 4.4148 4.5817 4.5817 4.7386 4.7386 4.9632 4.9632 5.0193 5.0193 5.1421 5.1421 5.2128 5.2128 5.4882 5.4882 5.4958 5.4958 6.4670 6.4670 6.4889 6.4889 6.6489 6.6489 6.6513 6.6513 6.8896 6.8896 6.9088 6.9088 8.2267 8.2267 8.2752 8.2752 8.5100 8.5100 8.5763 8.5763 11.0448 11.0448 11.0490 11.0490 12.5366 12.5366 12.6057 12.6057 13.8487 13.8487 13.8538 13.8538 k = 0.0889 0.1458 0.2441 ( 3826 PWs) bands (ev): -5.1613 -5.1613 -5.1610 -5.1610 2.8972 2.8972 2.9055 2.9055 3.3170 3.3170 3.3471 3.3471 3.5609 3.5609 3.5652 3.5652 4.3872 4.3872 4.4136 4.4136 4.5712 4.5712 4.7273 4.7273 4.9609 4.9609 5.0204 5.0204 5.1425 5.1425 5.2132 5.2132 5.4764 5.4764 5.4795 5.4795 6.4730 6.4730 6.4925 6.4925 6.6519 6.6519 6.6550 6.6550 6.8803 6.8803 6.8990 6.8990 8.2856 8.2856 8.3323 8.3323 8.5693 8.5693 8.6298 8.6298 10.9933 10.9933 10.9953 10.9953 12.5414 12.5414 12.6103 12.6103 13.8841 13.8841 13.8865 13.8865 k = 0.0826 0.1354 0.2441 ( 3834 PWs) bands (ev): -5.1747 -5.1747 -5.1744 -5.1744 2.9008 2.9008 2.9080 2.9080 3.3481 3.3481 3.3786 3.3786 3.5504 3.5504 3.5562 3.5562 4.3853 4.3853 4.4123 4.4123 4.5617 4.5617 4.7152 4.7152 4.9596 4.9596 5.0216 5.0216 5.1437 5.1437 5.2141 5.2141 5.4634 5.4634 5.4649 5.4649 6.4787 6.4787 6.4959 6.4959 6.6548 6.6548 6.6585 6.6585 6.8709 6.8709 6.8892 6.8892 8.3455 8.3455 8.3901 8.3901 8.6263 8.6263 8.6809 8.6809 10.9376 10.9376 10.9383 10.9383 12.5494 12.5494 12.6169 12.6169 13.9194 13.9194 13.9195 13.9195 k = 0.0762 0.1250 0.2441 ( 3834 PWs) bands (ev): -5.1873 -5.1873 -5.1870 -5.1870 2.9040 2.9040 2.9102 2.9102 3.3773 3.3773 3.4069 3.4069 3.5413 3.5413 3.5494 3.5494 4.3833 4.3833 4.4108 4.4108 4.5532 4.5532 4.7023 4.7023 4.9595 4.9595 5.0228 5.0228 5.1458 5.1458 5.2154 5.2154 5.4477 5.4477 5.4538 5.4538 6.4843 6.4843 6.4991 6.4991 6.6579 6.6579 6.6620 6.6620 6.8616 6.8616 6.8794 6.8794 8.4062 8.4062 8.4484 8.4484 8.6807 8.6807 8.7295 8.7295 10.8788 10.8788 10.8789 10.8789 12.5595 12.5595 12.6245 12.6245 13.9527 13.9527 13.9550 13.9550 k = 0.0699 0.1146 0.2441 ( 3826 PWs) bands (ev): -5.1991 -5.1991 -5.1988 -5.1988 2.9068 2.9068 2.9122 2.9122 3.4038 3.4038 3.4305 3.4305 3.5345 3.5345 3.5463 3.5463 4.3811 4.3811 4.4091 4.4091 4.5461 4.5461 4.6889 4.6889 4.9605 4.9605 5.0240 5.0240 5.1484 5.1484 5.2170 5.2170 5.4326 5.4326 5.4430 5.4430 6.4896 6.4896 6.5023 6.5023 6.6611 6.6611 6.6654 6.6654 6.8524 6.8524 6.8696 6.8696 8.4671 8.4671 8.5067 8.5067 8.7321 8.7321 8.7752 8.7752 10.8181 10.8181 10.8182 10.8182 12.5707 12.5707 12.6324 12.6324 13.9862 13.9862 13.9906 13.9906 k = 0.0635 0.1042 0.2441 ( 3816 PWs) bands (ev): -5.2100 -5.2100 -5.2097 -5.2097 2.9093 2.9093 2.9140 2.9140 3.4262 3.4262 3.4474 3.4474 3.5311 3.5311 3.5485 3.5485 4.3789 4.3789 4.4072 4.4072 4.5403 4.5403 4.6753 4.6753 4.9625 4.9625 5.0251 5.0251 5.1516 5.1516 5.2187 5.2187 5.4181 5.4181 5.4326 5.4326 6.4946 6.4946 6.5052 6.5052 6.6644 6.6644 6.6688 6.6688 6.8434 6.8434 6.8599 6.8599 8.5277 8.5277 8.5643 8.5643 8.7805 8.7805 8.8179 8.8179 10.7563 10.7563 10.7568 10.7568 12.5823 12.5823 12.6399 12.6399 14.0200 14.0200 14.0260 14.0260 k = 0.0572 0.0938 0.2441 ( 3812 PWs) bands (ev): -5.2199 -5.2199 -5.2196 -5.2196 2.9115 2.9115 2.9155 2.9155 3.4423 3.4423 3.4564 3.4564 3.5331 3.5331 3.5571 3.5571 4.3766 4.3766 4.4049 4.4049 4.5359 4.5359 4.6616 4.6616 4.9653 4.9653 5.0258 5.0258 5.1553 5.1553 5.2202 5.2202 5.4046 5.4046 5.4226 5.4226 6.4992 6.4992 6.5079 6.5079 6.6678 6.6678 6.6722 6.6722 6.8347 6.8347 6.8504 6.8504 8.5875 8.5875 8.6208 8.6208 8.8255 8.8255 8.8572 8.8572 10.6947 10.6947 10.6959 10.6959 12.5937 12.5937 12.6466 12.6466 14.0536 14.0536 14.0610 14.0610 k = 0.0508 0.0833 0.2441 ( 3816 PWs) bands (ev): -5.2289 -5.2289 -5.2286 -5.2286 2.9133 2.9133 2.9168 2.9168 3.4510 3.4510 3.4590 3.4590 3.5416 3.5416 3.5705 3.5705 4.3743 4.3743 4.4024 4.4024 4.5330 4.5330 4.6478 4.6478 4.9689 4.9689 5.0261 5.0261 5.1594 5.1594 5.2215 5.2215 5.3923 5.3923 5.4130 5.4130 6.5034 6.5034 6.5104 6.5104 6.6713 6.6713 6.6757 6.6757 6.8264 6.8264 6.8411 6.8411 8.6457 8.6457 8.6752 8.6752 8.8670 8.8670 8.8930 8.8930 10.6343 10.6343 10.6363 10.6363 12.6044 12.6044 12.6521 12.6521 14.0869 14.0869 14.0951 14.0951 k = 0.0445 0.0729 0.2441 ( 3820 PWs) bands (ev): -5.2369 -5.2369 -5.2367 -5.2367 2.9149 2.9149 2.9178 2.9178 3.4535 3.4535 3.4577 3.4577 3.5552 3.5552 3.5857 3.5857 4.3724 4.3724 4.3995 4.3995 4.5316 4.5316 4.6344 4.6344 4.9731 4.9731 5.0260 5.0260 5.1638 5.1638 5.2222 5.2222 5.3813 5.3813 5.4038 5.4038 6.5071 6.5071 6.5126 6.5126 6.6749 6.6749 6.6792 6.6792 6.8185 6.8185 6.8322 6.8322 8.7014 8.7014 8.7268 8.7268 8.9046 8.9046 8.9252 8.9252 10.5761 10.5761 10.5789 10.5789 12.6142 12.6142 12.6564 12.6564 14.1191 14.1191 14.1277 14.1277 k = 0.0381 0.0625 0.2441 ( 3826 PWs) bands (ev): -5.2439 -5.2439 -5.2437 -5.2437 2.9163 2.9163 2.9187 2.9187 3.4525 3.4525 3.4548 3.4548 3.5710 3.5710 3.6006 3.6006 4.3709 4.3709 4.3963 4.3963 4.5316 4.5316 4.6213 4.6213 4.9779 4.9779 5.0254 5.0254 5.1686 5.1686 5.2221 5.2221 5.3720 5.3720 5.3952 5.3952 6.5104 6.5104 6.5146 6.5146 6.6786 6.6786 6.6827 6.6827 6.8112 6.8112 6.8236 6.8236 8.7536 8.7536 8.7746 8.7746 8.9384 8.9384 8.9535 8.9535 10.5216 10.5216 10.5250 10.5250 12.6229 12.6229 12.6594 12.6594 14.1498 14.1498 14.1582 14.1582 k = 0.0318 0.0521 0.2441 ( 3826 PWs) bands (ev): -5.2498 -5.2498 -5.2496 -5.2496 2.9174 2.9174 2.9195 2.9195 3.4500 3.4500 3.4514 3.4514 3.5869 3.5869 3.6138 3.6138 4.3699 4.3699 4.3930 4.3930 4.5329 4.5329 4.6087 4.6087 4.9830 4.9830 5.0242 5.0242 5.1736 5.1736 5.2212 5.2212 5.3646 5.3646 5.3871 5.3871 6.5132 6.5132 6.5163 6.5163 6.6823 6.6823 6.6861 6.6861 6.8046 6.8046 6.8157 6.8157 8.8012 8.8012 8.8176 8.8176 8.9680 8.9680 8.9781 8.9781 10.4719 10.4719 10.4757 10.4757 12.6306 12.6306 12.6611 12.6611 14.1780 14.1780 14.1859 14.1859 k = 0.0254 0.0417 0.2441 ( 3826 PWs) bands (ev): -5.2547 -5.2547 -5.2546 -5.2546 2.9184 2.9184 2.9200 2.9200 3.4473 3.4473 3.4482 3.4482 3.6016 3.6016 3.6245 3.6245 4.3696 4.3696 4.3894 4.3894 4.5355 4.5355 4.5968 4.5968 4.9883 4.9883 5.0224 5.0224 5.1789 5.1789 5.2191 5.2191 5.3594 5.3594 5.3797 5.3797 6.5155 6.5155 6.5177 6.5177 6.6859 6.6859 6.6893 6.6893 6.7990 6.7990 6.8084 6.8084 8.8428 8.8428 8.8545 8.8545 8.9930 8.9930 8.9987 8.9987 10.4285 10.4285 10.4323 10.4323 12.6372 12.6372 12.6617 12.6617 14.2029 14.2029 14.2098 14.2098 k = 0.0191 0.0313 0.2441 ( 3836 PWs) bands (ev): -5.2585 -5.2585 -5.2584 -5.2584 2.9192 2.9192 2.9203 2.9203 3.4448 3.4448 3.4454 3.4454 3.6144 3.6144 3.6324 3.6324 4.3701 4.3701 4.3858 4.3858 4.5393 4.5393 4.5857 4.5857 4.9936 4.9936 5.0199 5.0199 5.1845 5.1845 5.2159 5.2159 5.3562 5.3562 5.3729 5.3729 6.5173 6.5173 6.5187 6.5187 6.6891 6.6891 6.6919 6.6919 6.7946 6.7946 6.8020 6.8020 8.8769 8.8769 8.8845 8.8845 9.0132 9.0132 9.0155 9.0155 10.3928 10.3928 10.3963 10.3963 12.6428 12.6428 12.6613 12.6613 14.2237 14.2237 14.2293 14.2293 k = 0.0127 0.0208 0.2441 ( 3836 PWs) bands (ev): -5.2613 -5.2613 -5.2612 -5.2612 2.9198 2.9198 2.9206 2.9206 3.4429 3.4429 3.4432 3.4432 3.6248 3.6248 3.6371 3.6371 4.3714 4.3714 4.3822 4.3822 4.5444 4.5444 4.5755 4.5755 4.9989 4.9989 5.0168 5.0168 5.1902 5.1902 5.2118 5.2118 5.3551 5.3551 5.3670 5.3670 6.5186 6.5186 6.5195 6.5195 6.6918 6.6918 6.6939 6.6939 6.7916 6.7916 6.7968 6.7968 8.9022 8.9022 8.9064 8.9064 9.0278 9.0278 9.0282 9.0282 10.3664 10.3664 10.3690 10.3690 12.6477 12.6477 12.6600 12.6600 14.2396 14.2396 14.2435 14.2435 k = 0.0064 0.0104 0.2441 ( 3840 PWs) bands (ev): -5.2629 -5.2629 -5.2628 -5.2628 2.9202 2.9202 2.9206 2.9206 3.4417 3.4417 3.4419 3.4419 3.6324 3.6324 3.6387 3.6387 4.3733 4.3733 4.3788 4.3788 4.5505 4.5505 4.5661 4.5661 5.0040 5.0040 5.0130 5.0130 5.1959 5.1959 5.2069 5.2069 5.3559 5.3559 5.3621 5.3621 6.5194 6.5194 6.5198 6.5198 6.6938 6.6938 6.6949 6.6949 6.7903 6.7903 6.7930 6.7930 8.9179 8.9179 8.9197 8.9197 9.0364 9.0364 9.0367 9.0367 10.3503 10.3503 10.3517 10.3517 12.6517 12.6517 12.6579 12.6579 14.2499 14.2499 14.2518 14.2518 k = 0.0000 0.0000 0.2441 ( 3832 PWs) bands (ev): -5.2634 -5.2634 -5.2634 -5.2634 2.9204 2.9204 2.9206 2.9206 3.4413 3.4413 3.4415 3.4415 3.6371 3.6371 3.6372 3.6372 4.3757 4.3757 4.3760 4.3760 4.5577 4.5577 4.5580 4.5580 5.0087 5.0087 5.0089 5.0089 5.2015 5.2015 5.2017 5.2017 5.3582 5.3582 5.3584 5.3584 6.5198 6.5198 6.5199 6.5199 6.6949 6.6949 6.6949 6.6949 6.7908 6.7908 6.7908 6.7908 8.9237 8.9237 8.9237 8.9237 9.0394 9.0394 9.0394 9.0394 10.3453 10.3453 10.3454 10.3454 12.6552 12.6552 12.6552 12.6552 14.2540 14.2540 14.2540 14.2540 k = 0.0000 0.0000 0.2441 ( 3832 PWs) bands (ev): -5.2634 -5.2634 -5.2634 -5.2634 2.9204 2.9204 2.9206 2.9206 3.4413 3.4413 3.4415 3.4415 3.6371 3.6371 3.6372 3.6372 4.3757 4.3757 4.3760 4.3760 4.5577 4.5577 4.5580 4.5580 5.0087 5.0087 5.0089 5.0089 5.2015 5.2015 5.2017 5.2017 5.3582 5.3582 5.3584 5.3584 6.5198 6.5198 6.5199 6.5199 6.6949 6.6949 6.6949 6.6949 6.7908 6.7908 6.7908 6.7908 8.9237 8.9237 8.9237 8.9237 9.0394 9.0394 9.0394 9.0394 10.3453 10.3453 10.3454 10.3454 12.6552 12.6552 12.6552 12.6552 14.2540 14.2540 14.2540 14.2540 k = 0.0000 0.0000 0.2319 ( 3836 PWs) bands (ev): -5.2816 -5.2816 -5.2451 -5.2451 2.8729 2.8729 2.9571 2.9571 3.4305 3.4305 3.4656 3.4656 3.6164 3.6164 3.6596 3.6596 4.3710 4.3710 4.3805 4.3805 4.5508 4.5508 4.5648 4.5648 4.9944 4.9944 5.0222 5.0222 5.1844 5.1844 5.2152 5.2152 5.3369 5.3369 5.3830 5.3830 6.5108 6.5108 6.5278 6.5278 6.6795 6.6795 6.7097 6.7097 6.7884 6.7884 6.7942 6.7942 8.9039 8.9039 8.9415 8.9415 9.0333 9.0333 9.0449 9.0449 10.3131 10.3131 10.3708 10.3708 12.6501 12.6501 12.6727 12.6727 14.1890 14.1890 14.3215 14.3215 k = 0.0000 0.0000 0.2196 ( 3828 PWs) bands (ev): -5.2994 -5.2994 -5.2267 -5.2267 2.8175 2.8175 2.9809 2.9809 3.4315 3.4315 3.5031 3.5031 3.5978 3.5978 3.6834 3.6834 4.3660 4.3660 4.3848 4.3848 4.5440 4.5440 4.5716 4.5716 4.9790 4.9790 5.0346 5.0346 5.1660 5.1660 5.2210 5.2210 5.3233 5.3233 5.4087 5.4087 6.5008 6.5008 6.5349 6.5349 6.6645 6.6645 6.7226 6.7226 6.7865 6.7865 6.7997 6.7997 8.8829 8.8829 8.9566 8.9566 9.0263 9.0263 9.0500 9.0500 10.2752 10.2752 10.3888 10.3888 12.6574 12.6574 12.7022 12.7022 14.1266 14.1266 14.3912 14.3912 k = 0.0000 0.0000 0.2074 ( 3824 PWs) bands (ev): -5.3169 -5.3169 -5.2083 -5.2083 2.7572 2.7572 2.9922 2.9922 3.4411 3.4411 3.5519 3.5519 3.5833 3.5833 3.7083 3.7083 4.3607 4.3607 4.3888 4.3888 4.5372 4.5372 4.5782 4.5782 4.9625 4.9625 5.0456 5.0456 5.1475 5.1475 5.2150 5.2150 5.3221 5.3221 5.4343 5.4343 6.4897 6.4897 6.5410 6.5410 6.6504 6.6504 6.7320 6.7320 6.7845 6.7845 6.8086 6.8086 8.8611 8.8611 8.9674 8.9674 9.0185 9.0185 9.0558 9.0558 10.2330 10.2330 10.3993 10.3993 12.6766 12.6766 12.7431 12.7431 14.0670 14.0670 14.4631 14.4631 k = 0.0000 0.0000 0.1952 ( 3822 PWs) bands (ev): -5.3339 -5.3339 -5.1902 -5.1902 2.6947 2.6947 2.9933 2.9933 3.4542 3.4542 3.5719 3.5719 3.6129 3.6129 3.7343 3.7343 4.3554 4.3554 4.3924 4.3924 4.5307 4.5307 4.5845 4.5845 4.9446 4.9446 5.0544 5.0544 5.1299 5.1299 5.2000 5.2000 5.3313 5.3313 5.4589 5.4589 6.4778 6.4778 6.5460 6.5460 6.6374 6.6374 6.7369 6.7369 6.7826 6.7826 6.8216 6.8216 8.8388 8.8388 8.9723 8.9723 9.0099 9.0099 9.0634 9.0634 10.1880 10.1880 10.4025 10.4025 12.7070 12.7070 12.7945 12.7945 14.0103 14.0103 14.5367 14.5367 k = 0.0000 0.0000 0.1830 ( 3820 PWs) bands (ev): -5.3504 -5.3504 -5.1723 -5.1723 2.6316 2.6316 2.9873 2.9873 3.4643 3.4643 3.5731 3.5731 3.6781 3.6781 3.7613 3.7613 4.3501 4.3501 4.3957 4.3957 4.5244 4.5244 4.5904 4.5904 4.9249 4.9249 5.0595 5.0595 5.1140 5.1140 5.1827 5.1827 5.3458 5.3458 5.4823 5.4823 6.4651 6.4651 6.5499 6.5499 6.6259 6.6259 6.7378 6.7378 6.7804 6.7804 6.8381 6.8381 8.8162 8.8162 8.9704 8.9704 9.0008 9.0008 9.0733 9.0733 10.1420 10.1420 10.3990 10.3990 12.7471 12.7471 12.8552 12.8552 13.9566 13.9566 14.6118 14.6118 k = 0.0000 0.0000 0.1708 ( 3810 PWs) bands (ev): -5.3662 -5.3662 -5.1548 -5.1548 2.5694 2.5694 2.9767 2.9767 3.4660 3.4660 3.5876 3.5876 3.7468 3.7468 3.7900 3.7900 4.3450 4.3450 4.3985 4.3985 4.5186 4.5186 4.5959 4.5959 4.9032 4.9032 5.0585 5.0585 5.1010 5.1010 5.1687 5.1687 5.3625 5.3625 5.5040 5.5040 6.4518 6.4518 6.5526 6.5526 6.6158 6.6158 6.7357 6.7357 6.7780 6.7780 6.8568 6.8568 8.7935 8.7935 8.9617 8.9617 8.9912 8.9912 9.0851 9.0851 10.0966 10.0966 10.3898 10.3898 12.7956 12.7956 12.9241 12.9241 13.9061 13.9061 14.6878 14.6878 k = 0.0000 0.0000 0.1586 ( 3806 PWs) bands (ev): -5.3812 -5.3812 -5.1378 -5.1378 2.5090 2.5090 2.9635 2.9635 3.4603 3.4603 3.6135 3.6135 3.8067 3.8067 3.8296 3.8296 4.3400 4.3400 4.4007 4.4007 4.5131 4.5131 4.6012 4.6012 4.8793 4.8793 5.0498 5.0498 5.0911 5.0911 5.1614 5.1614 5.3796 5.3796 5.5239 5.5239 6.4382 6.4382 6.5539 6.5539 6.6071 6.6071 6.7315 6.7315 6.7755 6.7755 6.8767 6.8767 8.7711 8.7711 8.9466 8.9466 8.9816 8.9816 9.0980 9.0980 10.0531 10.0531 10.3759 10.3759 12.8507 12.8507 13.0002 13.0002 13.8587 13.8587 14.7623 14.7623 k = 0.0000 0.0000 0.1464 ( 3822 PWs) bands (ev): -5.3954 -5.3954 -5.1215 -5.1215 2.4511 2.4511 2.9490 2.9490 3.4507 3.4507 3.6466 3.6466 3.8406 3.8406 3.8947 3.8947 4.3352 4.3352 4.4023 4.4023 4.5080 4.5080 4.6064 4.6064 4.8529 4.8529 5.0356 5.0356 5.0837 5.0837 5.1610 5.1610 5.3965 5.3965 5.5417 5.5417 6.4245 6.4245 6.5535 6.5535 6.5996 6.5996 6.7258 6.7258 6.7728 6.7728 6.8970 6.8970 8.7489 8.7489 8.9259 8.9259 8.9721 8.9721 9.1112 9.1112 10.0129 10.0129 10.3584 10.3584 12.9106 12.9106 13.0823 13.0823 13.8145 13.8145 14.7810 14.7810 k = 0.0000 0.0000 0.1342 ( 3823 PWs) bands (ev): -5.4088 -5.4088 -5.1060 -5.1060 2.3963 2.3963 2.9341 2.9341 3.4399 3.4399 3.6840 3.6840 3.8701 3.8701 3.9616 3.9616 4.3310 4.3310 4.4029 4.4029 4.5033 4.5033 4.6119 4.6119 4.8244 4.8244 5.0190 5.0190 5.0787 5.0787 5.1653 5.1653 5.4129 5.4129 5.5573 5.5573 6.4110 6.4110 6.5515 6.5515 6.5933 6.5933 6.7192 6.7192 6.7701 6.7701 6.9173 6.9173 8.7274 8.7274 8.9005 8.9005 8.9630 8.9630 9.1242 9.1242 9.9767 9.9767 10.3386 10.3386 12.9738 12.9738 13.1692 13.1692 13.7737 13.7737 14.7576 14.7576 k = 0.0000 0.0000 0.1220 ( 3821 PWs) bands (ev): -5.4212 -5.4212 -5.0914 -5.0914 2.3452 2.3452 2.9196 2.9196 3.4289 3.4289 3.7240 3.7240 3.8991 3.8991 4.0239 4.0239 4.3274 4.3274 4.4024 4.4024 4.4989 4.4989 4.6182 4.6182 4.7941 4.7941 5.0023 5.0023 5.0771 5.0771 5.1719 5.1719 5.4284 5.4284 5.5704 5.5704 6.3979 6.3979 6.5479 6.5479 6.5878 6.5878 6.7124 6.7124 6.7673 6.7673 6.9370 6.9370 8.7068 8.7068 8.8714 8.8714 8.9542 8.9542 9.1366 9.1366 9.9451 9.9451 10.3173 10.3173 13.0384 13.0384 13.2599 13.2599 13.7364 13.7364 14.7336 14.7336 k = 0.0000 0.0000 0.1098 ( 3819 PWs) bands (ev): -5.4326 -5.4326 -5.0777 -5.0777 2.2979 2.2979 2.9057 2.9057 3.4184 3.4184 3.7657 3.7657 3.9278 3.9278 4.0792 4.0792 4.3245 4.3245 4.4006 4.4006 4.4944 4.4944 4.6259 4.6259 4.7627 4.7627 4.9867 4.9867 5.0794 5.0794 5.1796 5.1796 5.4427 5.4427 5.5808 5.5808 6.3855 6.3855 6.5426 6.5426 6.5827 6.5827 6.7057 6.7057 6.7647 6.7647 6.9560 6.9560 8.6871 8.6871 8.8398 8.8398 8.9459 8.9459 9.1482 9.1482 9.9181 9.9181 10.2955 10.2955 13.1028 13.1028 13.3531 13.3531 13.7024 13.7024 14.7105 14.7105 k = 0.0000 0.0000 0.0976 ( 3821 PWs) bands (ev): -5.4429 -5.4429 -5.0652 -5.0652 2.2549 2.2549 2.8928 2.8928 3.4086 3.4086 3.8084 3.8084 3.9562 3.9562 4.1255 4.1255 4.3222 4.3222 4.3973 4.3973 4.4892 4.4892 4.6353 4.6353 4.7316 4.7316 4.9729 4.9729 5.0860 5.0860 5.1874 5.1874 5.4559 5.4559 5.5885 5.5885 6.3739 6.3739 6.5357 6.5357 6.5779 6.5779 6.6996 6.6996 6.7621 6.7621 6.9738 6.9738 8.6687 8.6687 8.8069 8.8069 8.9382 8.9382 9.1588 9.1588 9.8956 9.8956 10.2740 10.2740 13.1655 13.1655 13.4474 13.4474 13.6721 13.6721 14.6886 14.6886 k = 0.0000 0.0000 0.0854 ( 3819 PWs) bands (ev): -5.4521 -5.4521 -5.0539 -5.0539 2.2164 2.2164 2.8810 2.8810 3.3997 3.3997 3.8517 3.8517 3.9840 3.9840 4.1620 4.1620 4.3204 4.3204 4.3927 4.3927 4.4824 4.4824 4.6450 4.6450 4.7033 4.7033 4.9611 4.9611 5.0973 5.0973 5.1949 5.1949 5.4676 5.4676 5.5933 5.5933 6.3632 6.3632 6.5273 6.5273 6.5732 6.5732 6.6945 6.6945 6.7596 6.7596 6.9903 6.9903 8.6519 8.6519 8.7742 8.7742 8.9311 8.9311 9.1683 9.1683 9.8773 9.8773 10.2536 10.2536 13.2251 13.2251 13.5407 13.5407 13.6460 13.6460 14.6682 14.6682 k = 0.0000 0.0000 0.0732 ( 3817 PWs) bands (ev): -5.4602 -5.4602 -5.0438 -5.0438 2.1826 2.1826 2.8706 2.8706 3.3919 3.3919 3.8951 3.8951 4.0108 4.0108 4.1887 4.1887 4.3185 4.3185 4.3872 4.3872 4.4733 4.4733 4.6474 4.6474 4.6861 4.6861 4.9513 4.9513 5.1132 5.1132 5.2019 5.2019 5.4778 5.4778 5.5953 5.5953 6.3538 6.3538 6.5176 6.5176 6.5691 6.5691 6.6903 6.6903 6.7574 6.7574 7.0051 7.0051 8.6367 8.6367 8.7427 8.7427 8.9248 8.9248 9.1767 9.1767 9.8626 9.8626 10.2348 10.2348 13.2802 13.2802 13.6124 13.6124 13.6428 13.6428 14.6495 14.6495 k = 0.0000 0.0000 0.0610 ( 3825 PWs) bands (ev): -5.4671 -5.4671 -5.0352 -5.0352 2.1537 2.1537 2.8616 2.8616 3.3852 3.3852 3.9378 3.9378 4.0362 4.0362 4.2062 4.2062 4.3158 4.3158 4.3816 4.3816 4.4612 4.4612 4.6328 4.6328 4.6896 4.6896 4.9434 4.9434 5.1329 5.1329 5.2080 5.2080 5.4862 5.4862 5.5946 5.5946 6.3455 6.3455 6.5071 6.5071 6.5654 6.5654 6.6872 6.6872 6.7553 6.7553 7.0181 7.0181 8.6235 8.6235 8.7139 8.7139 8.9193 8.9193 9.1839 9.1839 9.8512 9.8512 10.2181 10.2181 13.3295 13.3295 13.5992 13.5992 13.7235 13.7235 14.6327 14.6327 k = 0.0000 0.0000 0.0488 ( 3827 PWs) bands (ev): -5.4728 -5.4728 -5.0280 -5.0280 2.1298 2.1298 2.8542 2.8542 3.3797 3.3797 3.9791 3.9791 4.0596 4.0596 4.2153 4.2153 4.3126 4.3126 4.3762 4.3762 4.4464 4.4464 4.6147 4.6147 4.7005 4.7005 4.9372 4.9372 5.1551 5.1551 5.2131 5.2131 5.4928 5.4928 5.5918 5.5918 6.3387 6.3387 6.4966 6.4966 6.5624 6.5624 6.6849 6.6849 6.7535 6.7535 7.0291 7.0291 8.6123 8.6123 8.6887 8.6887 8.9148 8.9148 9.1898 9.1898 9.8426 9.8426 10.2039 10.2039 13.3718 13.3718 13.5834 13.5834 13.8029 13.8029 14.6183 14.6183 k = 0.0000 0.0000 0.0366 ( 3827 PWs) bands (ev): -5.4772 -5.4772 -5.0224 -5.0224 2.1111 2.1111 2.8483 2.8483 3.3754 3.3754 4.0175 4.0175 4.0807 4.0807 4.2159 4.2159 4.3110 4.3110 4.3703 4.3703 4.4306 4.4306 4.6000 4.6000 4.7109 4.7109 4.9327 4.9327 5.1774 5.1774 5.2172 5.2172 5.4974 5.4974 5.5877 5.5877 6.3334 6.3334 6.4871 6.4871 6.5600 6.5600 6.6835 6.6835 6.7521 6.7521 7.0378 7.0378 8.6035 8.6035 8.6682 8.6682 8.9112 8.9112 9.1945 9.1945 9.8363 9.8363 10.1926 10.1926 13.4061 13.4061 13.5707 13.5707 13.8717 13.8717 14.6065 14.6065 k = 0.0000 0.0000 0.0244 ( 3827 PWs) bands (ev): -5.4804 -5.4804 -5.0184 -5.0184 2.0977 2.0977 2.8441 2.8441 3.3723 3.3723 4.0501 4.0501 4.0999 4.0999 4.2080 4.2080 4.3137 4.3137 4.3622 4.3622 4.4168 4.4168 4.5898 4.5898 4.7189 4.7189 4.9295 4.9295 5.1970 5.1970 5.2198 5.2198 5.5002 5.5002 5.5835 5.5835 6.3296 6.3296 6.4795 6.4795 6.5584 6.5584 6.6825 6.6825 6.7510 6.7510 7.0441 7.0441 8.5971 8.5971 8.6530 8.6530 8.9086 8.9086 9.1978 9.1978 9.8321 9.8321 10.1843 10.1843 13.4314 13.4314 13.5615 13.5615 13.9255 13.9255 14.5976 14.5976 k = 0.0000 0.0000 0.0122 ( 3833 PWs) bands (ev): -5.4824 -5.4824 -5.0159 -5.0159 2.0896 2.0896 2.8416 2.8416 3.3704 3.3704 4.0718 4.0718 4.1178 4.1178 4.1945 4.1945 4.3214 4.3214 4.3507 4.3507 4.4083 4.4083 4.5840 4.5840 4.7238 4.7238 4.9277 4.9277 5.2112 5.2112 5.2208 5.2208 5.5015 5.5015 5.5803 5.5803 6.3273 6.3273 6.4745 6.4745 6.5574 6.5574 6.6819 6.6819 6.7504 6.7504 7.0479 7.0479 8.5932 8.5932 8.6436 8.6436 8.9070 8.9070 9.1998 9.1998 9.8297 9.8297 10.1792 10.1792 13.4469 13.4469 13.5559 13.5559 13.9600 13.9600 14.5922 14.5922 k = 0.0000 0.0000 0.0000 ( 3829 PWs) bands (ev): -5.4830 -5.4830 -5.0151 -5.0151 2.0869 2.0869 2.8407 2.8407 3.3698 3.3698 4.0790 4.0790 4.1276 4.1276 4.1862 4.1862 4.3289 4.3289 4.3417 4.3417 4.4056 4.4056 4.5821 4.5821 4.7254 4.7254 4.9271 4.9271 5.2184 5.2184 5.2190 5.2190 5.5019 5.5019 5.5791 5.5791 6.3266 6.3266 6.4728 6.4728 6.5571 6.5571 6.6817 6.6817 6.7502 6.7502 7.0492 7.0492 8.5919 8.5919 8.6405 8.6405 8.9065 8.9065 9.2005 9.2005 9.8289 9.8289 10.1776 10.1776 13.4522 13.4522 13.5540 13.5540 13.9719 13.9719 14.5903 14.5903 k = 0.0000 0.0000 0.0000 ( 3829 PWs) bands (ev): -5.4830 -5.4830 -5.0151 -5.0151 2.0869 2.0869 2.8407 2.8407 3.3698 3.3698 4.0790 4.0790 4.1276 4.1276 4.1862 4.1862 4.3289 4.3289 4.3417 4.3417 4.4056 4.4056 4.5821 4.5821 4.7254 4.7254 4.9271 4.9271 5.2184 5.2184 5.2190 5.2190 5.5019 5.5019 5.5791 5.5791 6.3266 6.3266 6.4728 6.4728 6.5571 6.5571 6.6817 6.6817 6.7502 6.7502 7.0492 7.0492 8.5919 8.5919 8.6405 8.6405 8.9065 8.9065 9.2005 9.2005 9.8289 9.8289 10.1776 10.1776 13.4522 13.4522 13.5540 13.5540 13.9719 13.9719 14.5903 14.5903 k =-0.0104 0.0064 0.0000 ( 3829 PWs) bands (ev): -5.4824 -5.4824 -5.0146 -5.0146 2.0875 2.0875 2.8404 2.8404 3.3700 3.3700 4.0786 4.0786 4.1168 4.1168 4.1914 4.1914 4.3290 4.3290 4.3430 4.3430 4.4058 4.4058 4.5835 4.5835 4.7256 4.7256 4.9268 4.9268 5.1857 5.1857 5.2536 5.2536 5.5027 5.5027 5.5792 5.5792 6.3266 6.3266 6.4729 6.4729 6.5574 6.5574 6.6821 6.6821 6.7503 6.7503 7.0492 7.0492 8.5878 8.5878 8.6320 8.6320 8.9120 8.9120 9.1987 9.1987 9.8157 9.8157 10.1973 10.1973 13.4478 13.4478 13.5581 13.5581 13.9695 13.9695 14.5879 14.5879 k =-0.0208 0.0127 0.0000 ( 3827 PWs) bands (ev): -5.4805 -5.4805 -5.0133 -5.0133 2.0894 2.0894 2.8395 2.8395 3.3705 3.3705 4.0773 4.0773 4.0919 4.0919 4.2001 4.2001 4.3272 4.3272 4.3483 4.3483 4.4062 4.4062 4.5876 4.5876 4.7262 4.7262 4.9258 4.9258 5.1552 5.1552 5.2898 5.2898 5.5054 5.5054 5.5796 5.5796 6.3266 6.3266 6.4732 6.4732 6.5582 6.5582 6.6831 6.6831 6.7506 6.7506 7.0492 7.0492 8.5730 8.5730 8.6120 8.6120 8.9249 8.9249 9.1933 9.1933 9.7846 9.7846 10.2487 10.2487 13.4349 13.4349 13.5704 13.5704 13.9622 13.9622 14.5804 14.5804 k =-0.0312 0.0191 0.0000 ( 3819 PWs) bands (ev): -5.4773 -5.4773 -5.0111 -5.0111 2.0924 2.0924 2.8380 2.8380 3.3713 3.3713 4.0592 4.0592 4.0758 4.0758 4.2066 4.2066 4.3224 4.3224 4.3576 4.3576 4.4073 4.4073 4.5941 4.5941 4.7272 4.7272 4.9243 4.9243 5.1276 5.1276 5.3259 5.3259 5.5103 5.5103 5.5805 5.5805 6.3265 6.3265 6.4737 6.4737 6.5597 6.5597 6.6849 6.6849 6.7511 6.7511 7.0492 7.0492 8.5424 8.5424 8.5914 8.5914 8.9377 8.9377 9.1846 9.1846 9.7498 9.7498 10.3189 10.3189 13.4135 13.4135 13.5907 13.5907 13.9504 13.9504 14.5672 14.5672 k =-0.0417 0.0254 0.0000 ( 3815 PWs) bands (ev): -5.4729 -5.4729 -5.0079 -5.0079 2.0965 2.0965 2.8359 2.8359 3.3724 3.3724 4.0226 4.0226 4.0730 4.0730 4.2099 4.2099 4.3154 4.3154 4.3679 4.3679 4.4100 4.4100 4.6027 4.6027 4.7285 4.7285 4.9223 4.9223 5.1031 5.1031 5.3604 5.3604 5.5178 5.5178 5.5827 5.5827 6.3264 6.3264 6.4743 6.4743 6.5617 6.5617 6.6874 6.6874 6.7518 6.7518 7.0493 7.0493 8.4991 8.4991 8.5720 8.5720 8.9434 8.9434 9.1726 9.1726 9.7216 9.7216 10.3998 10.3998 13.3840 13.3840 13.6189 13.6189 13.9344 13.9344 14.5472 14.5472 k =-0.0521 0.0318 0.0000 ( 3827 PWs) bands (ev): -5.4672 -5.4672 -5.0040 -5.0040 2.1018 2.1018 2.8331 2.8331 3.3737 3.3737 3.9825 3.9825 4.0694 4.0694 4.2105 4.2105 4.3065 4.3065 4.3758 4.3758 4.4158 4.4158 4.6129 4.6129 4.7302 4.7302 4.9202 4.9202 5.0819 5.0819 5.3911 5.3911 5.5281 5.5281 5.5879 5.5879 6.3261 6.3261 6.4751 6.4751 6.5641 6.5641 6.6905 6.6905 6.7527 6.7527 7.0492 7.0492 8.4493 8.4493 8.5506 8.5506 8.9369 8.9369 9.1574 9.1574 9.7062 9.7062 10.4872 10.4872 13.3467 13.3467 13.6548 13.6548 13.9146 13.9146 14.5191 14.5191 k =-0.0625 0.0381 0.0000 ( 3825 PWs) bands (ev): -5.4603 -5.4603 -4.9991 -4.9991 2.1082 2.1082 2.8296 2.8296 3.3752 3.3752 3.9397 3.9397 4.0651 4.0651 4.2093 4.2093 4.2962 4.2962 4.3795 4.3795 4.4255 4.4255 4.6244 4.6244 4.7324 4.7324 4.9184 4.9184 5.0638 5.0638 5.4157 5.4157 5.5392 5.5392 5.6001 5.6001 6.3260 6.3260 6.4761 6.4761 6.5673 6.5673 6.6943 6.6943 6.7538 6.7538 7.0493 7.0493 8.3961 8.3961 8.5260 8.5260 8.9159 8.9159 9.1390 9.1390 9.7066 9.7066 10.5785 10.5785 13.3021 13.3021 13.6981 13.6981 13.8917 13.8917 14.4815 14.4815 k =-0.0729 0.0445 0.0000 ( 3829 PWs) bands (ev): -5.4523 -5.4523 -4.9934 -4.9934 2.1157 2.1157 2.8254 2.8254 3.3770 3.3770 3.8946 3.8946 4.0602 4.0602 4.2069 4.2069 4.2844 4.2844 4.3801 4.3801 4.4374 4.4374 4.6365 4.6365 4.7350 4.7350 4.9171 4.9171 5.0488 5.0488 5.4337 5.4337 5.5469 5.5469 5.6237 5.6237 6.3258 6.3258 6.4773 6.4773 6.5710 6.5710 6.6988 6.6988 6.7552 6.7552 7.0492 7.0492 8.3409 8.3409 8.4979 8.4979 8.8807 8.8807 9.1174 9.1174 9.7226 9.7226 10.6724 10.6724 13.2506 13.2506 13.7484 13.7484 13.8664 13.8664 14.4339 14.4339 k =-0.0833 0.0508 0.0000 ( 3835 PWs) bands (ev): -5.4430 -5.4430 -4.9869 -4.9869 2.1241 2.1241 2.8204 2.8204 3.3787 3.3787 3.8478 3.8478 4.0546 4.0546 4.2038 4.2038 4.2714 4.2714 4.3791 4.3791 4.4498 4.4498 4.6490 4.6490 4.7381 4.7381 4.9170 4.9170 5.0365 5.0365 5.4461 5.4461 5.5505 5.5505 5.6580 5.6580 6.3255 6.3255 6.4787 6.4787 6.5752 6.5752 6.7040 6.7040 6.7568 6.7568 7.0492 7.0492 8.2846 8.2846 8.4662 8.4662 8.8335 8.8335 9.0927 9.0927 9.7522 9.7522 10.7678 10.7678 13.1928 13.1928 13.8052 13.8052 13.8396 13.8396 14.3763 14.3763 k =-0.0938 0.0572 0.0000 ( 3845 PWs) bands (ev): -5.4326 -5.4326 -4.9796 -4.9796 2.1335 2.1335 2.8145 2.8145 3.3805 3.3805 3.7994 3.7994 4.0486 4.0486 4.2003 4.2003 4.2572 4.2572 4.3774 4.3774 4.4615 4.4615 4.6613 4.6613 4.7415 4.7415 4.9184 4.9184 5.0266 5.0266 5.4547 5.4547 5.5515 5.5515 5.6995 5.6995 6.3251 6.3251 6.4803 6.4803 6.5798 6.5798 6.7100 6.7100 6.7587 6.7587 7.0493 7.0493 8.2276 8.2276 8.4312 8.4312 8.7771 8.7771 9.0652 9.0652 9.7926 9.7926 10.8638 10.8638 13.1293 13.1293 13.8104 13.8104 13.8694 13.8694 14.3101 14.3101 k =-0.1042 0.0635 0.0000 ( 3839 PWs) bands (ev): -5.4210 -5.4210 -4.9715 -4.9715 2.1438 2.1438 2.8078 2.8078 3.3821 3.3821 3.7500 3.7500 4.0422 4.0422 4.1966 4.1966 4.2423 4.2423 4.3756 4.3756 4.4721 4.4721 4.6731 4.6731 4.7455 4.7455 4.9218 4.9218 5.0189 5.0189 5.4609 5.4609 5.5514 5.5514 5.7453 5.7453 6.3246 6.3246 6.4822 6.4822 6.5852 6.5852 6.7169 6.7169 6.7609 6.7609 7.0493 7.0493 8.1703 8.1703 8.3931 8.3931 8.7140 8.7140 9.0352 9.0352 9.8408 9.8408 10.9597 10.9597 13.0606 13.0606 13.7816 13.7816 13.9386 13.9386 14.2374 14.2374 k =-0.1146 0.0699 0.0000 ( 3835 PWs) bands (ev): -5.4084 -5.4084 -4.9626 -4.9626 2.1549 2.1549 2.8000 2.8000 3.3835 3.3835 3.7000 3.7000 4.0355 4.0355 4.1927 4.1927 4.2270 4.2270 4.3738 4.3738 4.4812 4.4812 4.6841 4.6841 4.7500 4.7500 4.9272 4.9272 5.0130 5.0130 5.4655 5.4655 5.5507 5.5507 5.7934 5.7934 6.3241 6.3241 6.4844 6.4844 6.5909 6.5909 6.7244 6.7244 6.7635 6.7635 7.0494 7.0494 8.1129 8.1129 8.3520 8.3520 8.6463 8.6463 9.0029 9.0029 9.8947 9.8947 11.0548 11.0548 12.9873 12.9873 13.7523 13.7523 14.0131 14.0131 14.1612 14.1612 k =-0.1250 0.0762 0.0000 ( 3839 PWs) bands (ev): -5.3947 -5.3947 -4.9530 -4.9530 2.1666 2.1666 2.7910 2.7910 3.3843 3.3843 3.6497 3.6497 4.0288 4.0288 4.1881 4.1881 4.2122 4.2122 4.3721 4.3721 4.4887 4.4887 4.6938 4.6938 4.7552 4.7552 4.9345 4.9345 5.0090 5.0090 5.4690 5.4690 5.5500 5.5500 5.8428 5.8428 6.3234 6.3234 6.4868 6.4868 6.5971 6.5971 6.7325 6.7325 6.7666 6.7666 7.0495 7.0495 8.0556 8.0556 8.3082 8.3082 8.5756 8.5756 8.9686 8.9686 9.9525 9.9525 11.1483 11.1483 12.9101 12.9101 13.7222 13.7222 14.0751 14.0751 14.1021 14.1021 k =-0.1354 0.0826 0.0000 ( 3827 PWs) bands (ev): -5.3801 -5.3801 -4.9427 -4.9427 2.1789 2.1789 2.7809 2.7809 3.3843 3.3843 3.6000 3.6000 4.0223 4.0223 4.1812 4.1812 4.1999 4.1999 4.3706 4.3706 4.4948 4.4948 4.7022 4.7022 4.7613 4.7613 4.9435 4.9435 5.0069 5.0069 5.4717 5.4717 5.5495 5.5495 5.8928 5.8928 6.3228 6.3228 6.4895 6.4895 6.6038 6.6038 6.7413 6.7413 6.7703 6.7703 7.0497 7.0497 7.9985 7.9985 8.2619 8.2619 8.5031 8.5031 8.9325 8.9325 10.0129 10.0129 11.2394 11.2394 12.8293 12.8293 13.6902 13.6902 14.0084 14.0084 14.1799 14.1799 k =-0.1458 0.0889 0.0000 ( 3827 PWs) bands (ev): -5.3644 -5.3644 -4.9318 -4.9318 2.1918 2.1918 2.7693 2.7693 3.3826 3.3826 3.5516 3.5516 4.0159 4.0159 4.1701 4.1701 4.1925 4.1925 4.3691 4.3691 4.4993 4.4993 4.7090 4.7090 4.7683 4.7683 4.9532 4.9532 5.0071 5.0071 5.4735 5.4735 5.5494 5.5494 5.9426 5.9426 6.3220 6.3220 6.4924 6.4924 6.6109 6.6109 6.7505 6.7505 6.7751 6.7751 7.0498 7.0498 7.9414 7.9414 8.2133 8.2133 8.4297 8.4297 8.8949 8.8949 10.0748 10.0748 11.3274 11.3274 12.7456 12.7456 13.6538 13.6538 13.9438 13.9438 14.2681 14.2681 k =-0.1562 0.0953 0.0000 ( 3827 PWs) bands (ev): -5.3479 -5.3479 -4.9202 -4.9202 2.2050 2.2050 2.7561 2.7561 3.3776 3.3776 3.5066 3.5066 4.0098 4.0098 4.1565 4.1565 4.1885 4.1885 4.3677 4.3677 4.5025 4.5025 4.7142 4.7142 4.7763 4.7763 4.9626 4.9626 5.0103 5.0103 5.4748 5.4748 5.5500 5.5500 5.9919 5.9919 6.3211 6.3211 6.4957 6.4957 6.6183 6.6183 6.7598 6.7598 6.7814 6.7814 7.0501 7.0501 7.8847 7.8847 8.1625 8.1625 8.3561 8.3561 8.8559 8.8559 10.1374 10.1374 11.4115 11.4115 12.6595 12.6595 13.6094 13.6094 13.8934 13.8934 14.3594 14.3594 k =-0.1667 0.1016 0.0000 ( 3827 PWs) bands (ev): -5.3305 -5.3305 -4.9081 -4.9081 2.2185 2.2185 2.7412 2.7412 3.3663 3.3663 3.4685 3.4685 4.0042 4.0042 4.1427 4.1427 4.1859 4.1859 4.3662 4.3662 4.5044 4.5044 4.7180 4.7180 4.7851 4.7851 4.9704 4.9704 5.0174 5.0174 5.4755 5.4755 5.5512 5.5512 6.0399 6.0399 6.3202 6.3202 6.4993 6.4993 6.6260 6.6260 6.7684 6.7684 6.7900 6.7900 7.0503 7.0503 7.8282 7.8282 8.1098 8.1098 8.2829 8.2829 8.8157 8.8157 10.2000 10.2000 11.4908 11.4908 12.5714 12.5714 13.5550 13.5550 13.8614 13.8614 14.4511 14.4511 k =-0.1771 0.1080 0.0000 ( 3829 PWs) bands (ev): -5.3123 -5.3123 -4.8954 -4.8954 2.2322 2.2322 2.7242 2.7242 3.3439 3.3439 3.4423 3.4423 3.9991 3.9991 4.1298 4.1298 4.1842 4.1842 4.3648 4.3648 4.5051 4.5051 4.7206 4.7206 4.7946 4.7946 4.9762 4.9762 5.0284 5.0284 5.4758 5.4758 5.5533 5.5533 6.0862 6.0862 6.3193 6.3193 6.5033 6.5033 6.6340 6.6340 6.7762 6.7762 6.8013 6.8013 7.0506 7.0506 7.7720 7.7720 8.0552 8.0552 8.2107 8.2107 8.7745 8.7745 10.2620 10.2620 11.5646 11.5646 12.4818 12.4818 13.4922 13.4922 13.8482 13.8482 14.5321 14.5321 k =-0.1875 0.1143 0.0000 ( 3833 PWs) bands (ev): -5.2934 -5.2934 -4.8822 -4.8822 2.2458 2.2458 2.7050 2.7050 3.3107 3.3107 3.4280 3.4280 3.9945 3.9945 4.1181 4.1181 4.1831 4.1831 4.3632 4.3632 4.5048 4.5048 4.7221 4.7221 4.8046 4.8046 4.9806 4.9806 5.0422 5.0422 5.4758 5.4758 5.5564 5.5564 6.1302 6.1302 6.3185 6.3185 6.5077 6.5077 6.6421 6.6421 6.7836 6.7836 6.8152 6.8152 7.0510 7.0510 7.7162 7.7162 7.9989 7.9989 8.1401 8.1401 8.7325 8.7325 10.3228 10.3228 11.6324 11.6324 12.3911 12.3911 13.4244 13.4244 13.8512 13.8512 14.5493 14.5493 k =-0.1979 0.1207 0.0000 ( 3829 PWs) bands (ev): -5.2738 -5.2738 -4.8686 -4.8686 2.2593 2.2593 2.6835 2.6835 3.2724 3.2724 3.4205 3.4205 3.9906 3.9906 4.1079 4.1079 4.1826 4.1826 4.3615 4.3615 4.5037 4.5037 4.7230 4.7230 4.8148 4.8148 4.9846 4.9846 5.0577 5.0577 5.4759 5.4759 5.5604 5.5604 6.1711 6.1711 6.3181 6.3181 6.5125 6.5125 6.6502 6.6502 6.7912 6.7912 6.8312 6.8312 7.0514 7.0514 7.6608 7.6608 7.9410 7.9410 8.0714 8.0714 8.6898 8.6898 10.3821 10.3821 11.6936 11.6936 12.2999 12.2999 13.3554 13.3554 13.8682 13.8682 14.4970 14.4970 k =-0.2083 0.1270 0.0000 ( 3834 PWs) bands (ev): -5.2536 -5.2536 -4.8545 -4.8545 2.2725 2.2725 2.6593 2.6593 3.2332 3.2332 3.4159 3.4159 3.9873 3.9873 4.0994 4.0994 4.1829 4.1829 4.3597 4.3597 4.5017 4.5017 4.7231 4.7231 4.8251 4.8251 4.9886 4.9886 5.0739 5.0739 5.4760 5.4760 5.5653 5.5653 6.2080 6.2080 6.3185 6.3185 6.5178 6.5178 6.6583 6.6583 6.7994 6.7994 6.8492 6.8492 7.0520 7.0520 7.6059 7.6059 7.8816 7.8816 8.0048 8.0048 8.6465 8.6465 10.4392 10.4392 11.7481 11.7481 12.2084 12.2084 13.2874 13.2874 13.8970 13.8970 14.4288 14.4288 k =-0.2188 0.1334 0.0000 ( 3838 PWs) bands (ev): -5.2329 -5.2329 -4.8402 -4.8402 2.2852 2.2852 2.6324 2.6324 3.1952 3.1952 3.4124 3.4124 3.9847 3.9847 4.0925 4.0925 4.1839 4.1839 4.3577 4.3577 4.4990 4.4990 4.7227 4.7227 4.8353 4.8353 4.9930 4.9930 5.0901 5.0901 5.4764 5.4764 5.5711 5.5711 6.2395 6.2395 6.3205 6.3205 6.5236 6.5236 6.6660 6.6660 6.8087 6.8087 6.8690 6.8690 7.0527 7.0527 7.5515 7.5515 7.8210 7.8210 7.9407 7.9407 8.6029 8.6029 10.4937 10.4937 11.7957 11.7957 12.1171 12.1171 13.2224 13.2224 13.9360 13.9360 14.3567 14.3567 k =-0.2292 0.1397 0.0000 ( 3844 PWs) bands (ev): -5.2118 -5.2118 -4.8255 -4.8255 2.2973 2.2973 2.6028 2.6028 3.1595 3.1595 3.4092 3.4092 3.9830 3.9830 4.0871 4.0871 4.1859 4.1859 4.3555 4.3555 4.4957 4.4957 4.7219 4.7219 4.8453 4.8453 4.9979 4.9979 5.1058 5.1058 5.4773 5.4773 5.5780 5.5780 6.2635 6.2635 6.3262 6.3262 6.5299 6.5299 6.6733 6.6733 6.8190 6.8190 6.8906 6.8906 7.0537 7.0537 7.4977 7.4977 7.7597 7.7597 7.8790 7.8790 8.5590 8.5590 10.5453 10.5453 11.8368 11.8368 12.0263 12.0263 13.1613 13.1613 13.9836 13.9836 14.2836 14.2836 k =-0.2396 0.1461 0.0000 ( 3848 PWs) bands (ev): -5.1903 -5.1903 -4.8106 -4.8106 2.3085 2.3085 2.5707 2.5707 3.1265 3.1265 3.4060 3.4060 3.9823 3.9823 4.0829 4.0829 4.1890 4.1890 4.3531 4.3531 4.4920 4.4920 4.7207 4.7207 4.8551 4.8551 5.0034 5.0034 5.1208 5.1208 5.4788 5.4788 5.5859 5.5859 6.2778 6.2778 6.3374 6.3374 6.5367 6.5367 6.6801 6.6801 6.8306 6.8306 6.9138 6.9138 7.0552 7.0552 7.4448 7.4448 7.6981 7.6981 7.8196 7.8196 8.5150 8.5150 10.5935 10.5935 11.8717 11.8717 11.9366 11.9366 13.1052 13.1052 14.0368 14.0368 14.2116 14.2116 k =-0.2500 0.1524 0.0000 ( 3848 PWs) bands (ev): -5.1685 -5.1685 -4.7955 -4.7955 2.3186 2.3186 2.5366 2.5366 3.0965 3.0965 3.4026 3.4026 3.9827 3.9827 4.0798 4.0798 4.1935 4.1935 4.3505 4.3505 4.4878 4.4878 4.7191 4.7191 4.8645 4.8645 5.0095 5.0095 5.1346 5.1346 5.4812 5.4812 5.5951 5.5951 6.2839 6.2839 6.3525 6.3525 6.5439 6.5439 6.6861 6.6861 6.8433 6.8433 6.9381 6.9381 7.0574 7.0574 7.3926 7.3926 7.6371 7.6371 7.7625 7.7625 8.4711 8.4711 10.6380 10.6380 11.8474 11.8474 11.9017 11.9017 13.0547 13.0547 14.0817 14.0817 14.1534 14.1534 k =-0.2604 0.1588 0.0000 ( 3846 PWs) bands (ev): -5.1466 -5.1466 -4.7803 -4.7803 2.3269 2.3269 2.5011 2.5011 3.0695 3.0695 3.3990 3.3990 3.9842 3.9842 4.0775 4.0775 4.1994 4.1994 4.3478 4.3478 4.4831 4.4831 4.7173 4.7173 4.8735 4.8735 5.0161 5.0161 5.1470 5.1470 5.4844 5.4844 5.6053 5.6053 6.2857 6.2857 6.3681 6.3681 6.5513 6.5513 6.6913 6.6913 6.8571 6.8571 6.9627 6.9627 7.0611 7.0611 7.3415 7.3415 7.5769 7.5769 7.7073 7.7073 8.4274 8.4274 10.6784 10.6784 11.7606 11.7606 11.9261 11.9261 13.0104 13.0104 14.0453 14.0453 14.1804 14.1804 k =-0.2708 0.1651 0.0000 ( 3846 PWs) bands (ev): -5.1246 -5.1246 -4.7650 -4.7650 2.3322 2.3322 2.4659 2.4659 3.0454 3.0454 3.3951 3.3951 3.9871 3.9871 4.0756 4.0756 4.2068 4.2068 4.3449 4.3449 4.4782 4.4782 4.7153 4.7153 4.8820 4.8820 5.0233 5.0233 5.1579 5.1579 5.4886 5.4886 5.6168 5.6168 6.2853 6.2853 6.3820 6.3820 6.5588 6.5588 6.6955 6.6955 6.8718 6.8718 6.9859 6.9859 7.0673 7.0673 7.2917 7.2917 7.5183 7.5183 7.6541 7.6541 8.3839 8.3839 10.7146 10.7146 11.6756 11.6756 11.9463 11.9463 12.9727 12.9727 13.9752 13.9752 14.2432 14.2432 k =-0.2812 0.1715 0.0000 ( 3850 PWs) bands (ev): -5.1025 -5.1025 -4.7498 -4.7498 2.3319 2.3319 2.4340 2.4340 3.0239 3.0239 3.3909 3.3909 3.9913 3.9913 4.0740 4.0740 4.2157 4.2157 4.3419 4.3419 4.4731 4.4731 4.7130 4.7130 4.8900 4.8900 5.0308 5.0308 5.1668 5.1668 5.4938 5.4938 5.6295 5.6295 6.2839 6.2839 6.3936 6.3936 6.5661 6.5661 6.6989 6.6989 6.8871 6.8871 7.0049 7.0049 7.0782 7.0782 7.2436 7.2436 7.4616 7.4616 7.6026 7.6026 8.3409 8.3409 10.7464 10.7464 11.5928 11.5928 11.9628 11.9628 12.9421 12.9421 13.9023 13.9023 14.3087 14.3087 k =-0.2917 0.1778 0.0000 ( 3850 PWs) bands (ev): -5.0806 -5.0806 -4.7346 -4.7346 2.3203 2.3203 2.4114 2.4114 3.0048 3.0048 3.3864 3.3864 3.9966 3.9966 4.0728 4.0728 4.2261 4.2261 4.3390 4.3390 4.4677 4.4677 4.7106 4.7106 4.8974 4.8974 5.0387 5.0387 5.1741 5.1741 5.4999 5.4999 5.6434 5.6434 6.2820 6.2820 6.4031 6.4031 6.5731 6.5731 6.7012 6.7012 6.9028 6.9028 7.0176 7.0176 7.0944 7.0944 7.1984 7.1984 7.4074 7.4074 7.5530 7.5530 8.2985 8.2985 10.7737 10.7737 11.5127 11.5127 11.9762 11.9762 12.9190 12.9190 13.8293 13.8293 14.3720 14.3720 k =-0.3021 0.1842 0.0000 ( 3852 PWs) bands (ev): -5.0589 -5.0589 -4.7195 -4.7195 2.2946 2.2946 2.4016 2.4016 2.9879 2.9879 3.3818 3.3818 4.0028 4.0028 4.0719 4.0719 4.2377 4.2377 4.3362 4.3362 4.4623 4.4623 4.7081 4.7081 4.9043 4.9043 5.0468 5.0468 5.1793 5.1793 5.5071 5.5071 5.6584 5.6584 6.2797 6.2797 6.4105 6.4105 6.5796 6.5796 6.7026 6.7026 6.9182 6.9182 7.0246 7.0246 7.1110 7.1110 7.1602 7.1602 7.3564 7.3564 7.5052 7.5052 8.2568 8.2568 10.7965 10.7965 11.4353 11.4353 11.9866 11.9866 12.9037 12.9037 13.7571 13.7571 14.4302 14.4302 k =-0.3125 0.1905 0.0000 ( 3848 PWs) bands (ev): -5.0375 -5.0375 -4.7046 -4.7046 2.2596 2.2596 2.4000 2.4000 2.9729 2.9729 3.3770 3.3770 4.0095 4.0095 4.0718 4.0718 4.2500 4.2500 4.3341 4.3341 4.4569 4.4569 4.7054 4.7054 4.9106 4.9106 5.0551 5.0551 5.1828 5.1828 5.5152 5.5152 5.6745 5.6745 6.2772 6.2772 6.4162 6.4162 6.5854 6.5854 6.7028 6.7028 6.9325 6.9325 7.0276 7.0276 7.1009 7.1009 7.1538 7.1538 7.3100 7.3100 7.4594 7.4594 8.2160 8.2160 10.8150 10.8150 11.3612 11.3612 11.9945 11.9945 12.8963 12.8963 13.6858 13.6858 14.4808 14.4808 k =-0.3229 0.1969 0.0000 ( 3848 PWs) bands (ev): -5.0166 -5.0166 -4.6900 -4.6900 2.2207 2.2207 2.4016 2.4016 2.9596 2.9596 3.3722 3.3722 4.0157 4.0157 4.0733 4.0733 4.2623 4.2623 4.3331 4.3331 4.4516 4.4516 4.7027 4.7027 4.9162 4.9162 5.0635 5.0635 5.1842 5.1842 5.5243 5.5243 5.6915 5.6915 6.2745 6.2745 6.4204 6.4204 6.5905 6.5905 6.7016 6.7016 6.9433 6.9433 7.0281 7.0281 7.0716 7.0716 7.1686 7.1686 7.2718 7.2718 7.4155 7.4155 8.1761 8.1761 10.8294 10.8294 11.2906 11.2906 12.0001 12.0001 12.8968 12.8968 13.6159 13.6159 14.5216 14.5216 k =-0.3333 0.2032 0.0000 ( 3850 PWs) bands (ev): -4.9961 -4.9961 -4.6758 -4.6758 2.1807 2.1807 2.4043 2.4043 2.9478 2.9478 3.3672 3.3672 4.0205 4.0205 4.0772 4.0772 4.2733 4.2733 4.3344 4.3344 4.4464 4.4464 4.6999 4.6999 4.9213 4.9213 5.0718 5.0718 5.1839 5.1839 5.5341 5.5341 5.7093 5.7093 6.2717 6.2717 6.4234 6.4234 6.5948 6.5948 6.6989 6.6989 6.9459 6.9459 7.0271 7.0271 7.0497 7.0497 7.1709 7.1709 7.2528 7.2528 7.3739 7.3739 8.1373 8.1373 10.8401 10.8401 11.2236 11.2236 12.0036 12.0036 12.9052 12.9052 13.5477 13.5477 14.5509 14.5509 k =-0.3438 0.2096 0.0000 ( 3866 PWs) bands (ev): -4.9763 -4.9763 -4.6619 -4.6619 2.1407 2.1407 2.4072 2.4072 2.9374 2.9374 3.3622 3.3622 4.0229 4.0229 4.0844 4.0844 4.2813 4.2813 4.3393 4.3393 4.4417 4.4417 4.6971 4.6971 4.9257 4.9257 5.0799 5.0799 5.1817 5.1817 5.5448 5.5448 5.7275 5.7275 6.2689 6.2689 6.4253 6.4253 6.5982 6.5982 6.6944 6.6944 6.9351 6.9351 7.0284 7.0284 7.0396 7.0396 7.1509 7.1509 7.2593 7.2593 7.3350 7.3350 8.0998 8.0998 10.8474 10.8474 11.1606 11.1606 12.0052 12.0052 12.9211 12.9211 13.4814 13.4814 14.5676 14.5676 k =-0.3542 0.2159 0.0000 ( 3870 PWs) bands (ev): -4.9572 -4.9572 -4.6485 -4.6485 2.1016 2.1016 2.4099 2.4099 2.9282 2.9282 3.3574 3.3574 4.0229 4.0229 4.0946 4.0946 4.2852 4.2852 4.3486 4.3486 4.4378 4.4378 4.6942 4.6942 4.9296 4.9296 5.0879 5.0879 5.1780 5.1780 5.5561 5.5561 5.7460 5.7460 6.2661 6.2661 6.4263 6.4263 6.6005 6.6005 6.6876 6.6876 6.9148 6.9148 7.0265 7.0265 7.0430 7.0430 7.1239 7.1239 7.2730 7.2730 7.3023 7.3023 8.0637 8.0637 10.8518 10.8518 11.1018 11.1018 12.0053 12.0053 12.9443 12.9443 13.4174 13.4174 14.5712 14.5712 k =-0.3646 0.2223 0.0000 ( 3864 PWs) bands (ev): -4.9389 -4.9389 -4.6357 -4.6357 2.0638 2.0638 2.4122 2.4122 2.9200 2.9200 3.3526 3.3526 4.0211 4.0211 4.1074 4.1074 4.2857 4.2857 4.3606 4.3606 4.4353 4.4353 4.6914 4.6914 4.9329 4.9329 5.0956 5.0956 5.1728 5.1728 5.5681 5.5681 5.7648 5.7648 6.2633 6.2633 6.4267 6.4267 6.6017 6.6017 6.6783 6.6783 6.8927 6.8927 7.0170 7.0170 7.0561 7.0561 7.1003 7.1003 7.2567 7.2567 7.3040 7.3040 8.0291 8.0291 10.8536 10.8536 11.0473 11.0473 12.0040 12.0040 12.9740 12.9740 13.3562 13.3562 14.5620 14.5620 k =-0.3750 0.2286 0.0000 ( 3864 PWs) bands (ev): -4.9215 -4.9215 -4.6234 -4.6234 2.0276 2.0276 2.4141 2.4141 2.9129 2.9129 3.3480 3.3480 4.0180 4.0180 4.1218 4.1218 4.2843 4.2843 4.3727 4.3727 4.4355 4.4355 4.6886 4.6886 4.9356 4.9356 5.1031 5.1031 5.1664 5.1664 5.5805 5.5805 5.7835 5.7835 6.2605 6.2605 6.4265 6.4265 6.6012 6.6012 6.6668 6.6668 6.8726 6.8726 7.0020 7.0020 7.0712 7.0712 7.0835 7.0835 7.2264 7.2264 7.3216 7.3216 7.9963 7.9963 10.8534 10.8534 10.9972 10.9972 12.0016 12.0016 13.0095 13.0095 13.2982 13.2982 14.5407 14.5407 k =-0.3854 0.2350 0.0000 ( 3852 PWs) bands (ev): -4.9052 -4.9052 -4.6118 -4.6118 1.9934 1.9934 2.4157 2.4157 2.9066 2.9066 3.3436 3.3436 4.0142 4.0142 4.1372 4.1372 4.2818 4.2818 4.3816 4.3816 4.4406 4.4406 4.6858 4.6858 4.9377 4.9377 5.1100 5.1100 5.1590 5.1590 5.5932 5.5932 5.8019 5.8019 6.2579 6.2579 6.4258 6.4258 6.5981 6.5981 6.6540 6.6540 6.8562 6.8562 6.9831 6.9831 7.0734 7.0734 7.0862 7.0862 7.1985 7.1985 7.3387 7.3387 7.9654 7.9654 10.8513 10.8513 10.9519 10.9519 11.9985 11.9985 13.0494 13.0494 13.2446 13.2446 14.5084 14.5084 k =-0.3958 0.2413 0.0000 ( 3860 PWs) bands (ev): -4.8899 -4.8899 -4.6010 -4.6010 1.9614 1.9614 2.4169 2.4169 2.9012 2.9012 3.3395 3.3395 4.0099 4.0099 4.1531 4.1531 4.2789 4.2789 4.3855 4.3855 4.4514 4.4514 4.6830 4.6830 4.9391 4.9391 5.1163 5.1163 5.1508 5.1508 5.6060 5.6060 5.8196 5.8196 6.2554 6.2554 6.4248 6.4248 6.5907 6.5907 6.6423 6.6423 6.8437 6.8437 6.9624 6.9624 7.0675 7.0675 7.0980 7.0980 7.1760 7.1760 7.3538 7.3538 7.9364 7.9364 10.8475 10.8475 10.9116 10.9116 11.9949 11.9949 13.0895 13.0895 13.1995 13.1995 14.4664 14.4664 k =-0.4062 0.2477 0.0000 ( 3858 PWs) bands (ev): -4.8759 -4.8759 -4.5910 -4.5910 1.9318 1.9318 2.4177 2.4177 2.8965 2.8965 3.3356 3.3356 4.0055 4.0055 4.1692 4.1692 4.2758 4.2758 4.3853 4.3853 4.4667 4.4667 4.6802 4.6802 4.9401 4.9401 5.1215 5.1215 5.1428 5.1428 5.6187 5.6187 5.8368 5.8368 6.2529 6.2529 6.4237 6.4237 6.5777 6.5777 6.6338 6.6338 6.8347 6.8347 6.9421 6.9421 7.0640 7.0640 7.1012 7.1012 7.1645 7.1645 7.3665 7.3665 7.9096 7.9096 10.8411 10.8411 10.8775 10.8775 11.9910 11.9910 13.1064 13.1064 13.1860 13.1860 14.4162 14.4162 k =-0.4167 0.2540 0.0000 ( 3862 PWs) bands (ev): -4.8631 -4.8631 -4.5818 -4.5818 1.9049 1.9049 2.4183 2.4183 2.8924 2.8924 3.3321 3.3321 4.0010 4.0010 4.1851 4.1851 4.2728 4.2728 4.3828 4.3828 4.4843 4.4843 4.6774 4.6774 4.9404 4.9404 5.1232 5.1232 5.1373 5.1373 5.6310 5.6310 5.8529 5.8529 6.2507 6.2507 6.4225 6.4225 6.5602 6.5602 6.6287 6.6287 6.8286 6.8286 6.9233 6.9233 7.0616 7.0616 7.0921 7.0921 7.1675 7.1675 7.3767 7.3767 7.8851 7.8851 10.8277 10.8277 10.8544 10.8544 11.9871 11.9871 13.0792 13.0792 13.2247 13.2247 14.3592 14.3592 k =-0.4271 0.2604 0.0000 ( 3870 PWs) bands (ev): -4.8516 -4.8516 -4.5736 -4.5736 1.8807 1.8807 2.4187 2.4187 2.8890 2.8890 3.3289 3.3289 3.9967 3.9967 4.2004 4.2004 4.2699 4.2699 4.3791 4.3791 4.5025 4.5025 4.6747 4.6747 4.9401 4.9401 5.1181 5.1181 5.1381 5.1381 5.6429 5.6429 5.8678 5.8678 6.2485 6.2485 6.4214 6.4214 6.5404 6.5404 6.6256 6.6256 6.8248 6.8248 6.9063 6.9063 7.0591 7.0591 7.0776 7.0776 7.1786 7.1786 7.3845 7.3845 7.8631 7.8631 10.8058 10.8058 10.8440 10.8440 11.9833 11.9833 13.0430 13.0430 13.2804 13.2804 14.2966 14.2966 k =-0.4375 0.2667 0.0000 ( 3874 PWs) bands (ev): -4.8415 -4.8415 -4.5663 -4.5663 1.8595 1.8595 2.4189 2.4189 2.8861 2.8861 3.3260 3.3260 3.9927 3.9927 4.2149 4.2149 4.2674 4.2674 4.3749 4.3749 4.5205 4.5205 4.6719 4.6719 4.9394 4.9394 5.1102 5.1102 5.1414 5.1414 5.6539 5.6539 5.8813 5.8813 6.2466 6.2466 6.4206 6.4206 6.5203 6.5203 6.6236 6.6236 6.8229 6.8229 6.8913 6.8913 7.0536 7.0536 7.0659 7.0659 7.1921 7.1921 7.3900 7.3900 7.8436 7.8436 10.7837 10.7837 10.8380 10.8380 11.9798 11.9798 13.0089 13.0089 13.3419 13.3419 14.2298 14.2298 k =-0.4479 0.2731 0.0000 ( 3874 PWs) bands (ev): -4.8329 -4.8329 -4.5601 -4.5601 1.8413 1.8413 2.4190 2.4190 2.8838 2.8838 3.3236 3.3236 3.9890 3.9890 4.2281 4.2281 4.2654 4.2654 4.3705 4.3705 4.5375 4.5375 4.6692 4.6692 4.9383 4.9383 5.1022 5.1022 5.1449 5.1449 5.6639 5.6639 5.8933 5.8933 6.2449 6.2449 6.4203 6.4203 6.5013 6.5013 6.6221 6.6221 6.8223 6.8223 6.8782 6.8782 7.0421 7.0421 7.0619 7.0619 7.2056 7.2056 7.3935 7.3935 7.8269 7.8269 10.7645 10.7645 10.8334 10.8334 11.9766 11.9766 12.9789 12.9789 13.4069 13.4069 14.1599 14.1599 k =-0.4583 0.2794 0.0000 ( 3874 PWs) bands (ev): -4.8258 -4.8258 -4.5550 -4.5550 1.8263 1.8263 2.4191 2.4191 2.8820 2.8820 3.3216 3.3216 3.9858 3.9858 4.2396 4.2396 4.2639 4.2639 4.3660 4.3660 4.5529 4.5529 4.6665 4.6665 4.9368 4.9368 5.0950 5.0950 5.1480 5.1480 5.6725 5.6725 5.9034 5.9034 6.2435 6.2435 6.4204 6.4204 6.4840 6.4840 6.6210 6.6210 6.8229 6.8229 6.8669 6.8669 7.0303 7.0303 7.0607 7.0607 7.2180 7.2180 7.3954 7.3954 7.8130 7.8130 10.7489 10.7489 10.8297 10.8297 11.9739 11.9739 12.9537 12.9537 13.4744 13.4744 14.0879 14.0879 k =-0.4688 0.2858 0.0000 ( 3876 PWs) bands (ev): -4.8203 -4.8203 -4.5509 -4.5509 1.8146 1.8146 2.4190 2.4190 2.8806 2.8806 3.3200 3.3200 3.9833 3.9833 4.2484 4.2484 4.2637 4.2637 4.3619 4.3619 4.5662 4.5662 4.6640 4.6640 4.9353 4.9353 5.0891 5.0891 5.1504 5.1504 5.6794 5.6794 5.9115 5.9115 6.2424 6.2424 6.4213 6.4213 6.4692 6.4692 6.6201 6.6201 6.8247 6.8247 6.8573 6.8573 7.0205 7.0205 7.0601 7.0601 7.2286 7.2286 7.3960 7.3960 7.8021 7.8021 10.7369 10.7369 10.8267 10.8267 11.9717 11.9717 12.9338 12.9338 13.5434 13.5434 14.0151 14.0151 k =-0.4792 0.2921 0.0000 ( 3862 PWs) bands (ev): -4.8162 -4.8162 -4.5480 -4.5480 1.8061 1.8061 2.4190 2.4190 2.8796 2.8796 3.3189 3.3189 3.9815 3.9815 4.2535 4.2535 4.2655 4.2655 4.3585 4.3585 4.5764 4.5764 4.6618 4.6618 4.9340 4.9340 5.0847 5.0847 5.1523 5.1523 5.6846 5.6846 5.9175 5.9175 6.2415 6.2415 6.4229 6.4229 6.4573 6.4573 6.6195 6.6195 6.8274 6.8274 6.8491 6.8491 7.0133 7.0133 7.0598 7.0598 7.2369 7.2369 7.3959 7.3959 7.7942 7.7942 10.7283 10.7283 10.8246 10.8246 11.9701 11.9701 12.9194 12.9194 13.6123 13.6123 13.9433 13.9433 k =-0.4896 0.2985 0.0000 ( 3870 PWs) bands (ev): -4.8138 -4.8138 -4.5462 -4.5462 1.8011 1.8011 2.4190 2.4190 2.8790 2.8790 3.3182 3.3182 3.9803 3.9803 4.2550 4.2550 4.2683 4.2683 4.3561 4.3561 4.5831 4.5831 4.6601 4.6601 4.9330 4.9330 5.0819 5.0819 5.1533 5.1533 5.6878 5.6878 5.9211 5.9211 6.2410 6.2410 6.4250 6.4250 6.4488 6.4488 6.6191 6.6191 6.8309 6.8309 6.8424 6.8424 7.0089 7.0089 7.0597 7.0597 7.2421 7.2421 7.3956 7.3956 7.7895 7.7895 10.7232 10.7232 10.8233 10.8233 11.9692 11.9692 12.9107 12.9107 13.6760 13.6760 13.8778 13.8778 k =-0.5000 0.3048 0.0000 ( 3874 PWs) bands (ev): -4.8130 -4.8130 -4.5456 -4.5456 1.7993 1.7993 2.4190 2.4190 2.8788 2.8788 3.3179 3.3179 3.9799 3.9799 4.2553 4.2553 4.2695 4.2695 4.3553 4.3553 4.5854 4.5854 4.6595 4.6595 4.9327 4.9327 5.0810 5.0810 5.1537 5.1537 5.6888 5.6888 5.9223 5.9223 6.2408 6.2408 6.4261 6.4261 6.4454 6.4454 6.6189 6.6189 6.8337 6.8337 6.8384 6.8384 7.0074 7.0074 7.0596 7.0596 7.2438 7.2438 7.3954 7.3954 7.7879 7.7879 10.7215 10.7215 10.8228 10.8228 11.9688 11.9688 12.9078 12.9078 13.7103 13.7103 13.8428 13.8428 k =-0.5000 0.3048 0.0000 ( 3874 PWs) bands (ev): -4.8130 -4.8130 -4.5456 -4.5456 1.7993 1.7993 2.4190 2.4190 2.8788 2.8788 3.3179 3.3179 3.9799 3.9799 4.2553 4.2553 4.2695 4.2695 4.3553 4.3553 4.5854 4.5854 4.6595 4.6595 4.9327 4.9327 5.0810 5.0810 5.1537 5.1537 5.6888 5.6888 5.9223 5.9223 6.2408 6.2408 6.4261 6.4261 6.4454 6.4454 6.6189 6.6189 6.8337 6.8337 6.8384 6.8384 7.0074 7.0074 7.0596 7.0596 7.2438 7.2438 7.3954 7.3954 7.7879 7.7879 10.7215 10.7215 10.8228 10.8228 11.9688 11.9688 12.9078 12.9078 13.7103 13.7103 13.8428 13.8428 k =-0.4937 0.3151-0.0000 ( 3868 PWs) bands (ev): -4.8129 -4.8129 -4.5454 -4.5454 1.8002 1.8002 2.4190 2.4190 2.8781 2.8781 3.3184 3.3184 3.9799 3.9799 4.2545 4.2545 4.2685 4.2685 4.3568 4.3568 4.5840 4.5840 4.6599 4.6599 4.9330 4.9330 5.0810 5.0810 5.1546 5.1546 5.6889 5.6889 5.9222 5.9222 6.2401 6.2401 6.4246 6.4246 6.4458 6.4458 6.6186 6.6186 6.8331 6.8331 6.8389 6.8389 7.0057 7.0057 7.0570 7.0570 7.2463 7.2463 7.3975 7.3975 7.7845 7.7845 10.7198 10.7198 10.8296 10.8296 11.9747 11.9747 12.9099 12.9099 13.7097 13.7097 13.8451 13.8451 k =-0.4874 0.3254-0.0000 ( 3864 PWs) bands (ev): -4.8125 -4.8125 -4.5449 -4.5449 1.8027 1.8027 2.4190 2.4190 2.8761 2.8761 3.3196 3.3196 3.9796 3.9796 4.2517 4.2517 4.2657 4.2657 4.3611 4.3611 4.5799 4.5799 4.6609 4.6609 4.9340 4.9340 5.0812 5.0812 5.1572 5.1572 5.6890 5.6890 5.9220 5.9220 6.2380 6.2380 6.4205 6.4205 6.4467 6.4467 6.6174 6.6174 6.8313 6.8313 6.8395 6.8395 7.0008 7.0008 7.0496 7.0496 7.2532 7.2532 7.4034 7.4034 7.7747 7.7747 10.7148 10.7148 10.8498 10.8498 11.9924 11.9924 12.9164 12.9164 13.7079 13.7079 13.8518 13.8518 k =-0.4811 0.3357-0.0000 ( 3864 PWs) bands (ev): -4.8119 -4.8119 -4.5439 -4.5439 1.8069 1.8069 2.4189 2.4189 2.8726 2.8726 3.3218 3.3218 3.9790 3.9790 4.2466 4.2466 4.2621 4.2621 4.3676 4.3676 4.5738 4.5738 4.6623 4.6623 4.9356 4.9356 5.0813 5.0813 5.1615 5.1615 5.6891 5.6891 5.9216 5.9216 6.2344 6.2344 6.4144 6.4144 6.4473 6.4473 6.6154 6.6154 6.8286 6.8286 6.8400 6.8400 6.9924 6.9924 7.0388 7.0388 7.2635 7.2635 7.4132 7.4132 7.7588 7.7588 10.7063 10.7063 10.8829 10.8829 12.0216 12.0216 12.9271 12.9271 13.7050 13.7050 13.8631 13.8631 k =-0.4749 0.3460-0.0000 ( 3864 PWs) bands (ev): -4.8110 -4.8110 -4.5426 -4.5426 1.8127 1.8127 2.4188 2.4188 2.8678 2.8678 3.3248 3.3248 3.9780 3.9780 4.2394 4.2394 4.2579 4.2579 4.3757 4.3757 4.5661 4.5661 4.6638 4.6638 4.9376 4.9376 5.0816 5.0816 5.1675 5.1675 5.6894 5.6894 5.9210 5.9210 6.2297 6.2297 6.4066 6.4066 6.4473 6.4473 6.6126 6.6126 6.8252 6.8252 6.8402 6.8402 6.9806 6.9806 7.0262 7.0262 7.2760 7.2760 7.4267 7.4267 7.7374 7.7374 10.6943 10.6943 10.9283 10.9283 12.0618 12.0618 12.9420 12.9420 13.7010 13.7010 13.8787 13.8787 k =-0.4686 0.3563-0.0000 ( 3860 PWs) bands (ev): -4.8099 -4.8099 -4.5409 -4.5409 1.8202 1.8202 2.4187 2.4187 2.8614 2.8614 3.3288 3.3288 3.9765 3.9765 4.2304 4.2304 4.2531 4.2531 4.3847 4.3847 4.5576 4.5576 4.6654 4.6654 4.9401 4.9401 5.0820 5.0820 5.1752 5.1752 5.6897 5.6897 5.9201 5.9201 6.2236 6.2236 6.3974 6.3974 6.4465 6.4465 6.6092 6.6092 6.8209 6.8209 6.8400 6.8400 6.9659 6.9659 7.0128 7.0128 7.2899 7.2899 7.4437 7.4437 7.7117 7.7117 10.6788 10.6788 10.9850 10.9850 12.1126 12.1126 12.9611 12.9611 13.6959 13.6959 13.8988 13.8988 k =-0.4623 0.3667-0.0000 ( 3864 PWs) bands (ev): -4.8085 -4.8085 -4.5389 -4.5389 1.8293 1.8293 2.4185 2.4185 2.8537 2.8537 3.3338 3.3338 3.9743 3.9743 4.2200 4.2200 4.2476 4.2476 4.3944 4.3944 4.5491 4.5491 4.6668 4.6668 4.9430 4.9430 5.0824 5.0824 5.1843 5.1843 5.6901 5.6901 5.9190 5.9190 6.2164 6.2164 6.3869 6.3869 6.4449 6.4449 6.6050 6.6050 6.8155 6.8155 6.8392 6.8392 6.9488 6.9488 6.9993 6.9993 7.3044 7.3044 7.4639 7.4639 7.6824 7.6824 10.6597 10.6597 11.0521 11.0521 12.1732 12.1732 12.9841 12.9841 13.6896 13.6896 13.9232 13.9232 k =-0.4560 0.3770-0.0000 ( 3854 PWs) bands (ev): -4.8070 -4.8070 -4.5365 -4.5365 1.8400 1.8400 2.4184 2.4184 2.8444 2.8444 3.3400 3.3400 3.9711 3.9711 4.2081 4.2081 4.2413 4.2413 4.4045 4.4045 4.5412 4.5412 4.6682 4.6682 4.9461 4.9461 5.0831 5.0831 5.1949 5.1949 5.6906 5.6906 5.9176 5.9176 6.2083 6.2083 6.3752 6.3752 6.4425 6.4425 6.6002 6.6002 6.8088 6.8088 6.8377 6.8377 6.9306 6.9306 6.9860 6.9860 7.3190 7.3190 7.4871 7.4871 7.6509 7.6509 10.6368 10.6368 11.1284 11.1284 12.2427 12.2427 13.0110 13.0110 13.6823 13.6823 13.9515 13.9515 k =-0.4497 0.3873-0.0000 ( 3856 PWs) bands (ev): -4.8053 -4.8053 -4.5339 -4.5339 1.8522 1.8522 2.4181 2.4181 2.8337 2.8337 3.3471 3.3471 3.9667 3.9667 4.1946 4.1946 4.2345 4.2345 4.4149 4.4149 4.5346 4.5346 4.6695 4.6695 4.9493 4.9493 5.0839 5.0839 5.2069 5.2069 5.6912 5.6912 5.9157 5.9157 6.1991 6.1991 6.3623 6.3623 6.4391 6.4391 6.5948 6.5948 6.8002 6.8002 6.8352 6.8352 6.9123 6.9123 6.9732 6.9732 7.3334 7.3334 7.5127 7.5127 7.6185 7.6185 10.6101 10.6101 11.2129 11.2129 12.3201 12.3201 13.0416 13.0416 13.6740 13.6740 13.9755 13.9755 k =-0.4434 0.3976-0.0000 ( 3860 PWs) bands (ev): -4.8035 -4.8035 -4.5310 -4.5310 1.8660 1.8660 2.4178 2.4178 2.8215 2.8215 3.3554 3.3554 3.9605 3.9605 4.1795 4.1795 4.2274 4.2274 4.4254 4.4254 4.5297 4.5297 4.6706 4.6706 4.9525 4.9525 5.0850 5.0850 5.2200 5.2200 5.6920 5.6920 5.9132 5.9132 6.1892 6.1892 6.3484 6.3484 6.4348 6.4348 6.5888 6.5888 6.7891 6.7891 6.8316 6.8316 6.8949 6.8949 6.9612 6.9612 7.3473 7.3473 7.5385 7.5385 7.5883 7.5883 10.5795 10.5795 11.3045 11.3045 12.4043 12.4043 13.0757 13.0757 13.6647 13.6647 13.8983 13.8983 k =-0.4372 0.4079-0.0000 ( 3852 PWs) bands (ev): -4.8016 -4.8016 -4.5278 -4.5278 1.8813 1.8813 2.4175 2.4175 2.8078 2.8078 3.3649 3.3649 3.9519 3.9519 4.1628 4.1628 4.2207 4.2207 4.4360 4.4360 4.5270 4.5270 4.6718 4.6718 4.9557 4.9557 5.0864 5.0864 5.2342 5.2342 5.6930 5.6930 5.9103 5.9103 6.1786 6.1786 6.3336 6.3336 6.4296 6.4296 6.5824 6.5824 6.7750 6.7750 6.8271 6.8271 6.8788 6.8788 6.9506 6.9506 7.3604 7.3604 7.5414 7.5414 7.5843 7.5843 10.5449 10.5449 11.4021 11.4021 12.4938 12.4938 13.1130 13.1130 13.6544 13.6544 13.8088 13.8088 k =-0.4309 0.4182-0.0000 ( 3852 PWs) bands (ev): -4.7996 -4.7996 -4.5245 -4.5245 1.8980 1.8980 2.4170 2.4170 2.7928 2.7928 3.3755 3.3755 3.9402 3.9402 4.1453 4.1453 4.2146 4.2146 4.4466 4.4466 4.5265 4.5265 4.6731 4.6731 4.9588 4.9588 5.0881 5.0881 5.2494 5.2494 5.6942 5.6942 5.9064 5.9064 6.1674 6.1674 6.3180 6.3180 6.4236 6.4236 6.5757 6.5757 6.7577 6.7577 6.8218 6.8218 6.8637 6.8637 6.9419 6.9419 7.3723 7.3723 7.5149 7.5149 7.6140 7.6140 10.5063 10.5063 11.5046 11.5046 12.5870 12.5870 13.1532 13.1532 13.6432 13.6432 13.7210 13.7210 k =-0.4246 0.4285-0.0000 ( 3852 PWs) bands (ev): -4.7975 -4.7975 -4.5210 -4.5210 1.9161 1.9161 2.4165 2.4165 2.7764 2.7764 3.3872 3.3872 3.9247 3.9247 4.1276 4.1276 4.2092 4.2092 4.4569 4.4569 4.5283 4.5283 4.6745 4.6745 4.9618 4.9618 5.0902 5.0902 5.2653 5.2653 5.6956 5.6956 5.9018 5.9018 6.1558 6.1558 6.3017 6.3017 6.4168 6.4168 6.5688 6.5688 6.7377 6.7377 6.8161 6.8161 6.8490 6.8490 6.9353 6.9353 7.3824 7.3824 7.4876 7.4876 7.6497 7.6497 10.4637 10.4637 11.6112 11.6112 12.6822 12.6822 13.1960 13.1960 13.6287 13.6287 13.6386 13.6386 k =-0.4183 0.4388-0.0000 ( 3856 PWs) bands (ev): -4.7955 -4.7955 -4.5173 -4.5173 1.9355 1.9355 2.4159 2.4159 2.7589 2.7589 3.4001 3.4001 3.9047 3.9047 4.1108 4.1108 4.2048 4.2048 4.4671 4.4671 4.5321 4.5321 4.6763 4.6763 4.9646 4.9646 5.0928 5.0928 5.2818 5.2818 5.6973 5.6973 5.8959 5.8959 6.1436 6.1436 6.2850 6.2850 6.4093 6.4093 6.5616 6.5616 6.7157 6.7157 6.8104 6.8104 6.8340 6.8340 6.9308 6.9308 7.3892 7.3892 7.4644 7.4644 7.6882 7.6882 10.4172 10.4172 11.7210 11.7210 12.7771 12.7771 13.2407 13.2407 13.5549 13.5549 13.6190 13.6190 k =-0.4120 0.4491-0.0000 ( 3864 PWs) bands (ev): -4.7936 -4.7936 -4.5136 -4.5136 1.9562 1.9562 2.4152 2.4152 2.7402 2.7402 3.4140 3.4140 3.8797 3.8797 4.0957 4.0957 4.2013 4.2013 4.4769 4.4769 4.5378 4.5378 4.6784 4.6784 4.9672 4.9672 5.0960 5.0960 5.2986 5.2986 5.6993 5.6993 5.8887 5.8887 6.1311 6.1311 6.2680 6.2680 6.4012 6.4012 6.5543 6.5543 6.6926 6.6926 6.8048 6.8048 6.8183 6.8183 6.9283 6.9283 7.3898 7.3898 7.4491 7.4491 7.7288 7.7288 10.3670 10.3670 11.8330 11.8330 12.8692 12.8692 13.2867 13.2867 13.4797 13.4797 13.6053 13.6053 k =-0.4057 0.4594-0.0000 ( 3864 PWs) bands (ev): -4.7917 -4.7917 -4.5099 -4.5099 1.9781 1.9781 2.4144 2.4144 2.7206 2.7206 3.4289 3.4289 3.8499 3.8499 4.0827 4.0827 4.1988 4.1988 4.4863 4.4863 4.5452 4.5452 4.6810 4.6810 4.9695 4.9695 5.0998 5.0998 5.3157 5.3157 5.7017 5.7017 5.8801 5.8801 6.1184 6.1184 6.2511 6.2511 6.3929 6.3929 6.5471 6.5471 6.6690 6.6690 6.7982 6.7982 6.8031 6.8031 6.9274 6.9274 7.3819 7.3819 7.4444 7.4444 7.7711 7.7711 10.3134 10.3134 11.9467 11.9467 12.9558 12.9558 13.3310 13.3310 13.4127 13.4127 13.5911 13.5911 k =-0.3995 0.4697-0.0000 ( 3848 PWs) bands (ev): -4.7899 -4.7899 -4.5061 -4.5061 2.0011 2.0011 2.4135 2.4135 2.7003 2.7003 3.4447 3.4447 3.8160 3.8160 4.0718 4.0718 4.1972 4.1972 4.4951 4.4951 4.5541 4.5541 4.6843 4.6843 4.9717 4.9717 5.1042 5.1042 5.3327 5.3327 5.7044 5.7044 5.8698 5.8698 6.1053 6.1053 6.2346 6.2346 6.3844 6.3844 6.5398 6.5398 6.6457 6.6457 6.7833 6.7833 6.7961 6.7961 6.9279 6.9279 7.3691 7.3691 7.4469 7.4469 7.8149 7.8149 10.2567 10.2567 12.0612 12.0612 13.0336 13.0336 13.3317 13.3317 13.3952 13.3952 13.5763 13.5763 k =-0.3932 0.4800-0.0000 ( 3854 PWs) bands (ev): -4.7884 -4.7884 -4.5024 -4.5024 2.0252 2.0252 2.4124 2.4124 2.6793 2.6793 3.4614 3.4614 3.7786 3.7786 4.0628 4.0628 4.1964 4.1964 4.5033 4.5033 4.5639 4.5639 4.6882 4.6882 4.9736 4.9736 5.1093 5.1093 5.3494 5.3494 5.7075 5.7075 5.8576 5.8576 6.0917 6.0917 6.2187 6.2187 6.3759 6.3759 6.5325 6.5325 6.6228 6.6228 6.7656 6.7656 6.7918 6.7918 6.9293 6.9293 7.3557 7.3557 7.4521 7.4521 7.8597 7.8597 10.1974 10.1974 12.1759 12.1759 13.0992 13.0992 13.2781 13.2781 13.4376 13.4376 13.5613 13.5613 k =-0.3869 0.4903-0.0000 ( 3860 PWs) bands (ev): -4.7871 -4.7871 -4.4989 -4.4989 2.0502 2.0502 2.4112 2.4112 2.6578 2.6578 3.4788 3.4788 3.7387 3.7387 4.0552 4.0552 4.1963 4.1963 4.5108 4.5108 4.5747 4.5747 4.6930 4.6930 4.9753 4.9753 5.1151 5.1151 5.3656 5.3656 5.7109 5.7109 5.8437 5.8437 6.0777 6.0777 6.2040 6.2040 6.3675 6.3675 6.5252 6.5252 6.6009 6.6009 6.7472 6.7472 6.7884 6.7884 6.9316 6.9316 7.3438 7.3438 7.4580 7.4580 7.9052 7.9052 10.1361 10.1361 12.2902 12.2902 13.1495 13.1495 13.2260 13.2260 13.4825 13.4825 13.5467 13.5467 k =-0.3806 0.5007-0.0000 ( 3860 PWs) bands (ev): -4.7862 -4.7862 -4.4955 -4.4955 2.0760 2.0760 2.4098 2.4098 2.6362 2.6362 3.4969 3.4969 3.6969 3.6969 4.0490 4.0490 4.1970 4.1970 4.5174 4.5174 4.5862 4.5862 4.6986 4.6986 4.9769 4.9769 5.1216 5.1216 5.3812 5.3812 5.7144 5.7144 5.8282 5.8282 6.0631 6.0631 6.1906 6.1906 6.3595 6.3595 6.5178 6.5178 6.5802 6.5802 6.7285 6.7285 6.7859 6.7859 6.9347 6.9347 7.3339 7.3339 7.4638 7.4638 7.9509 7.9509 10.0737 10.0737 12.4035 12.4035 13.1788 13.1788 13.1823 13.1823 13.5162 13.5162 13.5414 13.5414 k =-0.3743 0.5110-0.0000 ( 3854 PWs) bands (ev): -4.7855 -4.7855 -4.4923 -4.4923 2.1024 2.1024 2.4083 2.4083 2.6145 2.6145 3.5156 3.5156 3.6542 3.6542 4.0438 4.0438 4.1984 4.1984 4.5233 4.5233 4.5982 4.5982 4.7051 4.7051 4.9784 4.9784 5.1287 5.1287 5.3958 5.3958 5.7179 5.7179 5.8116 5.8116 6.0480 6.0480 6.1791 6.1791 6.3519 6.3519 6.5102 6.5102 6.5611 6.5611 6.7094 6.7094 6.7843 6.7843 6.9386 6.9386 7.3264 7.3264 7.4692 7.4692 7.9962 7.9962 10.0111 10.0111 12.5153 12.5153 13.1380 13.1380 13.1952 13.1952 13.5095 13.5095 13.5729 13.5729 k =-0.3680 0.5213-0.0000 ( 3852 PWs) bands (ev): -4.7853 -4.7853 -4.4894 -4.4894 2.1295 2.1295 2.4065 2.4065 2.5930 2.5930 3.5346 3.5346 3.6111 3.6111 4.0396 4.0396 4.2002 4.2002 4.5282 4.5282 4.6104 4.6104 4.7125 4.7125 4.9799 4.9799 5.1364 5.1364 5.4092 5.4092 5.7203 5.7203 5.7947 5.7947 6.0322 6.0322 6.1693 6.1693 6.3449 6.3449 6.5022 6.5022 6.5440 6.5440 6.6904 6.6904 6.7838 6.7838 6.9433 6.9433 7.3209 7.3209 7.4741 7.4741 8.0403 8.0403 9.9493 9.9493 12.6250 12.6250 13.1027 13.1027 13.1887 13.1887 13.4949 13.4949 13.6072 13.6072 k =-0.3618 0.5316-0.0000 ( 3848 PWs) bands (ev): -4.7855 -4.7855 -4.4868 -4.4868 2.1569 2.1569 2.4046 2.4046 2.5720 2.5720 3.5529 3.5529 3.5691 3.5691 4.0362 4.0362 4.2026 4.2026 4.5323 4.5323 4.6226 4.6226 4.7206 4.7206 4.9814 4.9814 5.1447 5.1447 5.4213 5.4213 5.7197 5.7197 5.7800 5.7800 6.0159 6.0159 6.1615 6.1615 6.3386 6.3386 6.4934 6.4934 6.5294 6.5294 6.6713 6.6713 6.7844 6.7844 6.9489 6.9489 7.3174 7.3174 7.4784 7.4784 8.0823 8.0823 9.8896 9.8896 12.7318 12.7318 13.0731 13.0731 13.1639 13.1639 13.4799 13.4799 13.6359 13.6359 k =-0.3555 0.5419-0.0000 ( 3844 PWs) bands (ev): -4.7863 -4.7863 -4.4846 -4.4846 2.1845 2.1845 2.4026 2.4026 2.5516 2.5516 3.5247 3.5247 3.5746 3.5746 4.0335 4.0335 4.2054 4.2054 4.5356 4.5356 4.6348 4.6348 4.7295 4.7295 4.9830 4.9830 5.1534 5.1534 5.4317 5.4317 5.7122 5.7122 5.7716 5.7716 5.9992 5.9992 6.1554 6.1554 6.3329 6.3329 6.4838 6.4838 6.5174 6.5174 6.6525 6.6525 6.7864 6.7864 6.9553 6.9553 7.3157 7.3157 7.4822 7.4822 8.1212 8.1212 9.8337 9.8337 12.8345 12.8345 13.0489 13.0489 13.1235 13.1235 13.4649 13.4649 13.6577 13.6577 k =-0.3492 0.5522-0.0000 ( 3850 PWs) bands (ev): -4.7876 -4.7876 -4.4828 -4.4828 2.2120 2.2120 2.4004 2.4004 2.5321 2.5321 3.4834 3.4834 3.5943 3.5943 4.0316 4.0316 4.2085 4.2085 4.5382 4.5382 4.6466 4.6466 4.7388 4.7388 4.9847 4.9847 5.1624 5.1624 5.4405 5.4405 5.6964 5.6964 5.7710 5.7710 5.9824 5.9824 6.1510 6.1510 6.3278 6.3278 6.4733 6.4733 6.5079 6.5079 6.6341 6.6341 6.7896 6.7896 6.9626 6.9626 7.3156 7.3156 7.4853 7.4853 8.1557 8.1557 9.7830 9.7830 12.9274 12.9274 13.0304 13.0304 13.0751 13.0751 13.4500 13.4500 13.6720 13.6720 k =-0.3429 0.5625-0.0000 ( 3844 PWs) bands (ev): -4.7895 -4.7895 -4.4815 -4.4815 2.2391 2.2391 2.3981 2.3981 2.5139 2.5139 3.4434 3.4434 3.6143 3.6143 4.0304 4.0304 4.2120 4.2120 4.5400 4.5400 4.6581 4.6581 4.7486 4.7486 4.9867 4.9867 5.1717 5.1717 5.4474 5.4474 5.6755 5.6755 5.7754 5.7754 5.9658 5.9658 6.1483 6.1483 6.3236 6.3236 6.4623 6.4623 6.5005 6.5005 6.6164 6.6164 6.7945 6.7945 6.9711 6.9711 7.3168 7.3168 7.4879 7.4879 8.1844 8.1844 9.7396 9.7396 12.9617 12.9617 13.0144 13.0144 13.0721 13.0721 13.4352 13.4352 13.6792 13.6792 k =-0.3429 0.5625-0.0000 ( 3844 PWs) bands (ev): -4.7895 -4.7895 -4.4815 -4.4815 2.2391 2.2391 2.3981 2.3981 2.5139 2.5139 3.4434 3.4434 3.6143 3.6143 4.0304 4.0304 4.2120 4.2120 4.5400 4.5400 4.6581 4.6581 4.7486 4.7486 4.9867 4.9867 5.1717 5.1717 5.4474 5.4474 5.6755 5.6755 5.7754 5.7754 5.9658 5.9658 6.1483 6.1483 6.3236 6.3236 6.4623 6.4623 6.5005 6.5005 6.6164 6.6164 6.7945 6.7945 6.9711 6.9711 7.3168 7.3168 7.4879 7.4879 8.1844 8.1844 9.7396 9.7396 12.9617 12.9617 13.0144 13.0144 13.0721 13.0721 13.4352 13.4352 13.6792 13.6792 k =-0.3429 0.5625 0.0122 ( 3844 PWs) bands (ev): -4.7891 -4.7891 -4.4820 -4.4820 2.2396 2.2396 2.3981 2.3981 2.5153 2.5153 3.4416 3.4416 3.6128 3.6128 4.0273 4.0273 4.2133 4.2133 4.5400 4.5400 4.6580 4.6580 4.7511 4.7511 4.9880 4.9880 5.1720 5.1720 5.4469 5.4469 5.6718 5.6718 5.7775 5.7775 5.9681 5.9681 6.1483 6.1483 6.3238 6.3238 6.4621 6.4621 6.5006 6.5006 6.6167 6.6167 6.7945 6.7945 6.9709 6.9709 7.3149 7.3149 7.4888 7.4888 8.1839 8.1839 9.7445 9.7445 12.9080 12.9080 12.9893 12.9893 13.1406 13.1406 13.4048 13.4048 13.7088 13.7088 k =-0.3429 0.5625 0.0244 ( 3852 PWs) bands (ev): -4.7877 -4.7877 -4.4836 -4.4836 2.2411 2.2411 2.3981 2.3981 2.5196 2.5196 3.4364 3.4364 3.6085 3.6085 4.0177 4.0177 4.2174 4.2174 4.5401 4.5401 4.6577 4.6577 4.7581 4.7581 4.9919 4.9919 5.1731 5.1731 5.4457 5.4457 5.6613 5.6613 5.7834 5.7834 5.9747 5.9747 6.1483 6.1483 6.3244 6.3244 6.4615 6.4615 6.5006 6.5006 6.6176 6.6176 6.7944 6.7944 6.9705 6.9705 7.3093 7.3093 7.4914 7.4914 8.1826 8.1826 9.7591 9.7591 12.8132 12.8132 12.9571 12.9571 13.2358 13.2358 13.3392 13.3392 13.7725 13.7725 k =-0.3429 0.5625 0.0366 ( 3853 PWs) bands (ev): -4.7855 -4.7855 -4.4861 -4.4861 2.2436 2.2436 2.3981 2.3981 2.5267 2.5267 3.4278 3.4278 3.6016 3.6016 4.0016 4.0016 4.2246 4.2246 4.5405 4.5405 4.6577 4.6577 4.7689 4.7689 4.9981 4.9981 5.1748 5.1748 5.4437 5.4437 5.6458 5.6458 5.7923 5.7923 5.9849 5.9849 6.1485 6.1485 6.3256 6.3256 6.4605 6.4605 6.5007 6.5007 6.6191 6.6191 6.7942 6.7942 6.9698 6.9698 7.3000 7.3000 7.4961 7.4961 8.1803 8.1803 9.7832 9.7832 12.7147 12.7147 12.9098 12.9098 13.2506 13.2506 13.3417 13.3417 13.8445 13.8445 k =-0.3429 0.5625 0.0488 ( 3856 PWs) bands (ev): -4.7824 -4.7824 -4.4896 -4.4896 2.2470 2.2470 2.3982 2.3982 2.5365 2.5365 3.4161 3.4161 3.5923 3.5923 3.9794 3.9794 4.2353 4.2353 4.5412 4.5412 4.6583 4.6583 4.7824 4.7824 5.0061 5.0061 5.1770 5.1770 5.4409 5.4409 5.6268 5.6268 5.8033 5.8033 5.9976 5.9976 6.1489 6.1489 6.3271 6.3271 6.4592 6.4592 6.5006 6.5006 6.6212 6.6212 6.7941 6.7941 6.9689 6.9689 7.2869 7.2869 7.5031 7.5031 8.1769 8.1769 9.8166 9.8166 12.6174 12.6174 12.8484 12.8484 13.1668 13.1668 13.4347 13.4347 13.9147 13.9147 k =-0.3429 0.5625 0.0610 ( 3862 PWs) bands (ev): -4.7785 -4.7785 -4.4941 -4.4941 2.2514 2.2514 2.3983 2.3983 2.5490 2.5490 3.4017 3.4017 3.5812 3.5812 3.9515 3.9515 4.2493 4.2493 4.5423 4.5423 4.6598 4.6598 4.7976 4.7976 5.0153 5.0153 5.1795 5.1795 5.4372 5.4372 5.6058 5.6058 5.8163 5.8163 6.0117 6.0117 6.1495 6.1495 6.3290 6.3290 6.4577 6.4577 6.5004 6.5004 6.6241 6.6241 6.7938 6.7938 6.9678 6.9678 7.2703 7.2703 7.5125 7.5125 8.1722 8.1722 9.8588 9.8588 12.5228 12.5228 12.7760 12.7760 13.0763 13.0763 13.5257 13.5257 13.9785 13.9785 k =-0.3429 0.5625 0.0732 ( 3858 PWs) bands (ev): -4.7737 -4.7737 -4.4994 -4.4994 2.2566 2.2566 2.3984 2.3984 2.5641 2.5641 3.3848 3.3848 3.5686 3.5686 3.9191 3.9191 4.2661 4.2661 4.5437 4.5437 4.6624 4.6624 4.8138 4.8138 5.0252 5.0252 5.1822 5.1822 5.4325 5.4325 5.5840 5.5840 5.8310 5.8310 6.0265 6.0265 6.1507 6.1507 6.3313 6.3313 6.4561 6.4561 6.5001 6.5001 6.6278 6.6278 6.7936 6.7936 6.9664 6.9664 7.2506 7.2506 7.5245 7.5245 8.1662 8.1662 9.9096 9.9096 12.4320 12.4320 12.6962 12.6962 12.9810 12.9810 13.6117 13.6117 14.0337 14.0337 k =-0.3429 0.5625 0.0854 ( 3858 PWs) bands (ev): -4.7682 -4.7682 -4.5057 -4.5057 2.2626 2.2626 2.3985 2.3985 2.5816 2.5816 3.3657 3.3657 3.5550 3.5550 3.8831 3.8831 4.2851 4.2851 4.5453 4.5453 4.6665 4.6665 4.8305 4.8305 5.0349 5.0349 5.1847 5.1847 5.4266 5.4266 5.5626 5.5626 5.8470 5.8470 6.0410 6.0410 6.1526 6.1526 6.3339 6.3339 6.4544 6.4544 6.4994 6.4994 6.6325 6.6325 6.7934 6.7934 6.9649 6.9649 7.2281 7.2281 7.5390 7.5390 8.1587 8.1587 9.9683 9.9683 12.3456 12.3456 12.6120 12.6120 12.8807 12.8807 13.6914 13.6914 14.0793 14.0793 k =-0.3429 0.5625 0.0976 ( 3856 PWs) bands (ev): -4.7618 -4.7618 -4.5128 -4.5128 2.2693 2.2693 2.3986 2.3986 2.6015 2.6015 3.3447 3.3447 3.5409 3.5409 3.8448 3.8448 4.3057 4.3057 4.5468 4.5468 4.6722 4.6722 4.8473 4.8473 5.0440 5.0440 5.1865 5.1865 5.4191 5.4191 5.5428 5.5428 5.8640 5.8640 6.0544 6.0544 6.1556 6.1556 6.3367 6.3367 6.4529 6.4529 6.4984 6.4984 6.6381 6.6381 6.7932 6.7932 6.9631 6.9631 7.2034 7.2034 7.5560 7.5560 8.1495 8.1495 10.0345 10.0345 12.2643 12.2643 12.5256 12.5256 12.7758 12.7758 13.7641 13.7641 14.1154 14.1154 k =-0.3429 0.5625 0.1098 ( 3852 PWs) bands (ev): -4.7547 -4.7547 -4.5207 -4.5207 2.2766 2.2766 2.3986 2.3986 2.6237 2.6237 3.3220 3.3220 3.5266 3.5266 3.8050 3.8050 4.3271 4.3271 4.5479 4.5479 4.6799 4.6799 4.8640 4.8640 5.0520 5.0520 5.1870 5.1870 5.4098 5.4098 5.5259 5.5259 5.8816 5.8816 6.0662 6.0662 6.1601 6.1601 6.3396 6.3396 6.4515 6.4515 6.4971 6.4971 6.6450 6.6450 6.7930 6.7930 6.9611 6.9611 7.1769 7.1769 7.5753 7.5753 8.1385 8.1385 10.1078 10.1078 12.1887 12.1887 12.4386 12.4386 12.6671 12.6671 13.8292 13.8292 14.1428 14.1428 k =-0.3429 0.5625 0.1220 ( 3845 PWs) bands (ev): -4.7469 -4.7469 -4.5293 -4.5293 2.2845 2.2845 2.3984 2.3984 2.6481 2.6481 3.2977 3.2977 3.5126 3.5126 3.7648 3.7648 4.3488 4.3488 4.5487 4.5487 4.6897 4.6897 4.8803 4.8803 5.0584 5.0584 5.1855 5.1855 5.3989 5.3989 5.5126 5.5126 5.8995 5.8995 6.0757 6.0757 6.1664 6.1664 6.3426 6.3426 6.4503 6.4503 6.4954 6.4954 6.6532 6.6532 6.7928 6.7928 6.9587 6.9587 7.1493 7.1493 7.5967 7.5967 8.1257 8.1257 10.1875 10.1875 12.1193 12.1193 12.3516 12.3516 12.5561 12.5561 13.8869 13.8869 14.1629 14.1629 k =-0.3429 0.5625 0.1342 ( 3845 PWs) bands (ev): -4.7384 -4.7384 -4.5386 -4.5386 2.2928 2.2928 2.3979 2.3979 2.6745 2.6745 3.2721 3.2721 3.4992 3.4992 3.7250 3.7250 4.3701 4.3701 4.5490 4.5490 4.7018 4.7018 4.8960 4.8960 5.0630 5.0630 5.1811 5.1811 5.3872 5.3872 5.5028 5.5028 5.9171 5.9171 6.0827 6.0827 6.1745 6.1745 6.3455 6.3455 6.4494 6.4494 6.4933 6.4933 6.6627 6.6627 6.7926 6.7926 6.9560 6.9560 7.1210 7.1210 7.6202 7.6202 8.1108 8.1108 10.2733 10.2733 12.0565 12.0565 12.2644 12.2644 12.4450 12.4450 13.9373 13.9373 14.1770 14.1770 k =-0.3429 0.5625 0.1464 ( 3843 PWs) bands (ev): -4.7293 -4.7293 -4.5485 -4.5485 2.3014 2.3014 2.3970 2.3970 2.7029 2.7029 3.2451 3.2451 3.4869 3.4869 3.6863 3.6863 4.3904 4.3904 4.5487 4.5487 4.7164 4.7164 4.9110 4.9110 5.0656 5.0656 5.1732 5.1732 5.3763 5.3763 5.4962 5.4962 5.9341 5.9341 6.0875 6.0875 6.1841 6.1841 6.3482 6.3482 6.4489 6.4489 6.4909 6.4909 6.6737 6.6737 6.7925 6.7925 6.9525 6.9525 7.0928 7.0928 7.6454 7.6454 8.0940 8.0940 10.3646 10.3646 12.0004 12.0004 12.1755 12.1755 12.3375 12.3375 13.9809 13.9809 14.1865 14.1865 k =-0.3429 0.5625 0.1586 ( 3843 PWs) bands (ev): -4.7197 -4.7197 -4.5589 -4.5589 2.3102 2.3102 2.3957 2.3957 2.7330 2.7330 3.2167 3.2167 3.4759 3.4759 3.6496 3.6496 4.4095 4.4095 4.5478 4.5478 4.7335 4.7335 4.9250 4.9250 5.0657 5.0657 5.1616 5.1616 5.3673 5.3673 5.4920 5.4920 5.9501 5.9501 6.0904 6.0904 6.1944 6.1944 6.3505 6.3505 6.4488 6.4488 6.4881 6.4881 6.6865 6.6865 6.7924 6.7924 6.9480 6.9480 7.0655 7.0655 7.6723 7.6723 8.0752 8.0752 10.4610 10.4610 11.9505 11.9505 12.0821 12.0821 12.2386 12.2386 14.0184 14.0184 14.1922 14.1922 k =-0.3429 0.5625 0.1708 ( 3841 PWs) bands (ev): -4.7095 -4.7095 -4.5698 -4.5698 2.3191 2.3191 2.3938 2.3938 2.7647 2.7647 3.1870 3.1870 3.4666 3.4666 3.6155 3.6155 4.4267 4.4267 4.5465 4.5465 4.7529 4.7529 4.9381 4.9381 5.0631 5.0631 5.1470 5.1470 5.3609 5.3609 5.4894 5.4894 5.9646 5.9646 6.0921 6.0921 6.2050 6.2050 6.3524 6.3524 6.4493 6.4493 6.4851 6.4851 6.7008 6.7008 6.7924 6.7924 6.9414 6.9414 7.0402 7.0402 7.7004 7.7004 8.0545 8.0545 10.5621 10.5621 11.9029 11.9029 11.9853 11.9853 12.1530 12.1530 14.0504 14.0504 14.1950 14.1950 k =-0.3429 0.5625 0.1830 ( 3842 PWs) bands (ev): -4.6988 -4.6988 -4.5811 -4.5811 2.3279 2.3279 2.3913 2.3913 2.7977 2.7977 3.1560 3.1560 3.4592 3.4592 3.5846 3.5846 4.4419 4.4419 4.5448 4.5448 4.7744 4.7744 4.9498 4.9498 5.0568 5.0568 5.1313 5.1313 5.3569 5.3569 5.4879 5.4879 5.9774 5.9774 6.0929 6.0929 6.2151 6.2151 6.3539 6.3539 6.4503 6.4503 6.4818 6.4818 6.7169 6.7169 6.7924 6.7924 6.9316 6.9316 7.0187 7.0187 7.7295 7.7295 8.0320 8.0320 10.6674 10.6674 11.8341 11.8341 11.9095 11.9095 12.0815 12.0815 14.0777 14.0777 14.1953 14.1953 k =-0.3429 0.5625 0.1952 ( 3837 PWs) bands (ev): -4.6878 -4.6878 -4.5927 -4.5927 2.3365 2.3365 2.3882 2.3882 2.8318 2.8318 3.1239 3.1239 3.4540 3.4540 3.5576 3.5576 4.4549 4.4549 4.5427 4.5427 4.7975 4.7975 4.9599 4.9599 5.0460 5.0460 5.1171 5.1171 5.3549 5.3549 5.4870 5.4870 5.9882 5.9882 6.0931 6.0931 6.2242 6.2242 6.3548 6.3548 6.4519 6.4519 6.4783 6.4783 6.7345 6.7345 6.7927 6.7927 6.9172 6.9172 7.0025 7.0025 7.7593 7.7593 8.0080 8.0080 10.7766 10.7766 11.7273 11.7273 11.8741 11.8741 12.0225 12.0225 14.1008 14.1008 14.1935 14.1935 k =-0.3429 0.5625 0.2074 ( 3832 PWs) bands (ev): -4.6764 -4.6764 -4.6045 -4.6045 2.3448 2.3448 2.3844 2.3844 2.8665 2.8665 3.0907 3.0907 3.4509 3.4509 3.5349 3.5349 4.4655 4.4655 4.5406 4.5406 4.8211 4.8211 4.9679 4.9679 5.0307 5.0307 5.1062 5.1062 5.3541 5.3541 5.4866 5.4866 5.9968 5.9968 6.0931 6.0931 6.2320 6.2320 6.3553 6.3553 6.4541 6.4541 6.4747 6.4747 6.7532 6.7532 6.7934 6.7934 6.8982 6.8982 6.9919 6.9919 7.7891 7.7891 7.9828 7.9828 10.8891 10.8891 11.6087 11.6087 11.8559 11.8559 11.9745 11.9745 14.1201 14.1201 14.1900 14.1900 k =-0.3429 0.5625 0.2196 ( 3835 PWs) bands (ev): -4.6647 -4.6647 -4.6165 -4.6165 2.3526 2.3526 2.3799 2.3799 2.9011 2.9011 3.0573 3.0573 3.4498 3.4498 3.5173 3.5173 4.4734 4.4734 4.5386 4.5386 4.8437 4.8437 4.9730 4.9730 5.0138 5.0138 5.0991 5.0991 5.3540 5.3540 5.4864 5.4864 6.0030 6.0030 6.0928 6.0928 6.2378 6.2378 6.3555 6.3555 6.4567 6.4567 6.4710 6.4710 6.7714 6.7714 6.7959 6.7959 6.8763 6.8763 6.9858 6.9858 7.8178 7.8178 7.9574 7.9574 11.0047 11.0047 11.4870 11.4870 11.8473 11.8473 11.9372 11.9372 14.1360 14.1360 14.1850 14.1850 k =-0.3429 0.5625 0.2319 ( 3841 PWs) bands (ev): -4.6529 -4.6529 -4.6285 -4.6285 2.3595 2.3595 2.3749 2.3749 2.9335 2.9335 3.0257 3.0257 3.4500 3.4500 3.5058 3.5058 4.4784 4.4784 4.5371 4.5371 4.8617 4.8617 4.9736 4.9736 5.0012 5.0012 5.0951 5.0951 5.3541 5.3541 5.4863 5.4863 6.0068 6.0068 6.0926 6.0926 6.2415 6.2415 6.3555 6.3555 6.4596 6.4596 6.4674 6.4674 6.7830 6.7830 6.8051 6.8051 6.8541 6.8541 6.9826 6.9826 7.8430 7.8430 7.9343 7.9343 11.1229 11.1229 11.3647 11.3647 11.8453 11.8453 11.9119 11.9119 14.1481 14.1481 14.1794 14.1794 k =-0.3429 0.5625 0.2441 ( 3848 PWs) bands (ev): -4.6427 -4.6427 -4.6387 -4.6387 2.3633 2.3633 2.3717 2.3717 2.9517 2.9517 3.0077 3.0077 3.4503 3.4503 3.5017 3.5017 4.4801 4.4801 4.5366 4.5366 4.8691 4.8691 4.9720 4.9720 4.9973 4.9973 5.0938 5.0938 5.3541 5.3541 5.4862 5.4862 6.0081 6.0081 6.0926 6.0926 6.2427 6.2427 6.3555 6.3555 6.4616 6.4616 6.4650 6.4650 6.7855 6.7855 6.8165 6.8165 6.8396 6.8396 6.9816 6.9816 7.8551 7.8551 7.9228 7.9228 11.2426 11.2426 11.2435 11.2435 11.8457 11.8457 11.9024 11.9024 14.1535 14.1535 14.1762 14.1762 k =-0.3429 0.5625 0.2441 ( 3848 PWs) bands (ev): -4.6427 -4.6427 -4.6387 -4.6387 2.3633 2.3633 2.3717 2.3717 2.9517 2.9517 3.0077 3.0077 3.4503 3.4503 3.5017 3.5017 4.4801 4.4801 4.5366 4.5366 4.8691 4.8691 4.9720 4.9720 4.9973 4.9973 5.0938 5.0938 5.3541 5.3541 5.4862 5.4862 6.0081 6.0081 6.0926 6.0926 6.2427 6.2427 6.3555 6.3555 6.4616 6.4616 6.4650 6.4650 6.7855 6.7855 6.8165 6.8165 6.8396 6.8396 6.9816 6.9816 7.8551 7.8551 7.9228 7.9228 11.2426 11.2426 11.2435 11.2435 11.8457 11.8457 11.9024 11.9024 14.1535 14.1535 14.1762 14.1762 k =-0.3492 0.5522 0.2441 ( 3840 PWs) bands (ev): -4.6423 -4.6423 -4.6382 -4.6382 2.3515 2.3515 2.3587 2.3587 2.9700 2.9700 3.0296 3.0296 3.4363 3.4363 3.4926 3.4926 4.4741 4.4741 4.5314 4.5314 4.8784 4.8784 4.9785 4.9785 4.9969 4.9969 5.1007 5.1007 5.3512 5.3512 5.4867 5.4867 6.0068 6.0068 6.0979 6.0979 6.2585 6.2585 6.3625 6.3625 6.4619 6.4619 6.4624 6.4624 6.7846 6.7846 6.8234 6.8234 6.8530 6.8530 6.9797 6.9797 7.8425 7.8425 7.9131 7.9131 11.2233 11.2233 11.2347 11.2347 11.8840 11.8840 11.9525 11.9525 14.0580 14.0580 14.0797 14.0797 k =-0.3555 0.5419 0.2441 ( 3840 PWs) bands (ev): -4.6423 -4.6423 -4.6383 -4.6383 2.3393 2.3393 2.3454 2.3454 2.9886 2.9886 3.0519 3.0519 3.4237 3.4237 3.4849 3.4849 4.4674 4.4674 4.5249 4.5249 4.8879 4.8879 4.9845 4.9845 4.9977 4.9977 5.1085 5.1085 5.3482 5.3482 5.4869 5.4869 6.0052 6.0052 6.1014 6.1014 6.2753 6.2753 6.3712 6.3712 6.4603 6.4603 6.4629 6.4629 6.7839 6.7839 6.8295 6.8295 6.8691 6.8691 6.9806 6.9806 7.8282 7.8282 7.9015 7.9015 11.1962 11.1962 11.2145 11.2145 11.9397 11.9397 12.0167 12.0167 13.9533 13.9533 13.9744 13.9744 k =-0.3618 0.5316 0.2441 ( 3848 PWs) bands (ev): -4.6429 -4.6429 -4.6389 -4.6389 2.3267 2.3267 2.3318 2.3318 3.0069 3.0069 3.0740 3.0740 3.4127 3.4127 3.4787 3.4787 4.4600 4.4600 4.5172 4.5172 4.8975 4.8975 4.9902 4.9902 4.9998 4.9998 5.1172 5.1172 5.3452 5.3452 5.4867 5.4867 6.0036 6.0036 6.1033 6.1033 6.2924 6.2924 6.3813 6.3813 6.4588 6.4588 6.4648 6.4648 6.7839 6.7839 6.8347 6.8347 6.8874 6.8874 6.9848 6.9848 7.8123 7.8123 7.8881 7.8881 11.1637 11.1637 11.1861 11.1861 12.0090 12.0090 12.0921 12.0921 13.8408 13.8408 13.8617 13.8617 k =-0.3680 0.5213 0.2441 ( 3850 PWs) bands (ev): -4.6440 -4.6440 -4.6400 -4.6400 2.3138 2.3138 2.3180 2.3180 3.0246 3.0246 3.0955 3.0955 3.4038 3.4038 3.4744 3.4744 4.4521 4.4521 4.5084 4.5084 4.9072 4.9072 4.9954 4.9954 5.0035 5.0035 5.1267 5.1267 5.3422 5.3422 5.4864 5.4864 6.0022 6.0022 6.1040 6.1040 6.3091 6.3091 6.3921 6.3921 6.4580 6.4580 6.4678 6.4678 6.7847 6.7847 6.8388 6.8388 6.9079 6.9079 6.9924 6.9924 7.7949 7.7949 7.8731 7.8731 11.1280 11.1280 11.1525 11.1525 12.0888 12.0888 12.1760 12.1760 13.7225 13.7225 13.7436 13.7436 k =-0.3743 0.5110 0.2441 ( 3846 PWs) bands (ev): -4.6454 -4.6454 -4.6415 -4.6415 2.3007 2.3007 2.3041 2.3041 3.0415 3.0415 3.1156 3.1156 3.3974 3.3974 3.4719 3.4719 4.4436 4.4436 4.4985 4.4985 4.9167 4.9167 5.0005 5.0005 5.0087 5.0087 5.1370 5.1370 5.3394 5.3394 5.4859 5.4859 6.0012 6.0012 6.1038 6.1038 6.3249 6.3249 6.4032 6.4032 6.4582 6.4582 6.4724 6.4724 6.7863 6.7863 6.8418 6.8418 6.9304 6.9304 7.0034 7.0034 7.7763 7.7763 7.8566 7.8566 11.0905 11.0905 11.1158 11.1158 12.1762 12.1762 12.2666 12.2666 13.6002 13.6002 13.6216 13.6216 k =-0.3806 0.5007 0.2441 ( 3850 PWs) bands (ev): -4.6471 -4.6471 -4.6433 -4.6433 2.2875 2.2875 2.2902 2.2902 3.0572 3.0572 3.1337 3.1337 3.3939 3.3939 3.4714 3.4714 4.4346 4.4346 4.4877 4.4877 4.9261 4.9261 5.0052 5.0052 5.0154 5.0154 5.1478 5.1478 5.3366 5.3366 5.4852 5.4852 6.0007 6.0007 6.1027 6.1027 6.3393 6.3393 6.4138 6.4138 6.4596 6.4596 6.4785 6.4785 6.7886 6.7886 6.8438 6.8438 6.9550 6.9550 7.0176 7.0176 7.7566 7.7566 7.8387 7.8387 11.0522 11.0522 11.0775 11.0775 12.2688 12.2688 12.3617 12.3617 13.4759 13.4759 13.4978 13.4978 k =-0.3869 0.4903 0.2441 ( 3850 PWs) bands (ev): -4.6492 -4.6492 -4.6455 -4.6455 2.2743 2.2743 2.2764 2.2764 3.0714 3.0714 3.1492 3.1492 3.3938 3.3938 3.4729 3.4729 4.4253 4.4253 4.4763 4.4763 4.9352 4.9352 5.0097 5.0097 5.0236 5.0236 5.1591 5.1591 5.3340 5.3340 5.4842 5.4842 6.0008 6.0008 6.1012 6.1012 6.3522 6.3522 6.4235 6.4235 6.4625 6.4625 6.4862 6.4862 6.7916 6.7916 6.8450 6.8450 6.9817 6.9817 7.0347 7.0347 7.7358 7.7358 7.8197 7.8197 11.0138 11.0138 11.0385 11.0385 12.3642 12.3642 12.4591 12.4591 13.3522 13.3522 13.3746 13.3746 k =-0.3932 0.4800 0.2441 ( 3854 PWs) bands (ev): -4.6514 -4.6514 -4.6478 -4.6478 2.2612 2.2612 2.2628 2.2628 3.0841 3.0841 3.1615 3.1615 3.3974 3.3974 3.4764 3.4764 4.4157 4.4157 4.4642 4.4642 4.9439 4.9439 5.0140 5.0140 5.0330 5.0330 5.1707 5.1707 5.3316 5.3316 5.4830 5.4830 6.0016 6.0016 6.0994 6.0994 6.3633 6.3633 6.4319 6.4319 6.4672 6.4672 6.4954 6.4954 6.7949 6.7949 6.8456 6.8456 7.0103 7.0103 7.0545 7.0545 7.7143 7.7143 7.7997 7.7997 10.9759 10.9759 10.9997 10.9997 12.4594 12.4594 12.5553 12.5553 13.2332 13.2332 13.2552 13.2552 k =-0.3995 0.4697 0.2441 ( 3850 PWs) bands (ev): -4.6539 -4.6539 -4.6504 -4.6504 2.2483 2.2483 2.2494 2.2494 3.0950 3.0950 3.1703 3.1703 3.4046 3.4046 3.4818 3.4818 4.4060 4.4060 4.4517 4.4517 4.9523 4.9523 5.0181 5.0181 5.0437 5.0437 5.1826 5.1826 5.3295 5.3295 5.4816 5.4816 6.0029 6.0029 6.0974 6.0974 6.3729 6.3729 6.4390 6.4390 6.4733 6.4733 6.5059 6.5059 6.7988 6.7988 6.8459 6.8459 7.0408 7.0408 7.0767 7.0767 7.6922 7.6922 7.7789 7.7789 10.9388 10.9388 10.9614 10.9614 12.5482 12.5482 12.6419 12.6419 13.1275 13.1275 13.1461 13.1461 k =-0.4057 0.4594 0.2441 ( 3858 PWs) bands (ev): -4.6565 -4.6565 -4.6531 -4.6531 2.2356 2.2356 2.2363 2.2363 3.1042 3.1042 3.1759 3.1759 3.4151 3.4151 3.4888 3.4888 4.3961 4.3961 4.4390 4.4390 4.9604 4.9604 5.0220 5.0220 5.0554 5.0554 5.1945 5.1945 5.3277 5.3277 5.4798 5.4798 6.0048 6.0048 6.0952 6.0952 6.3812 6.3812 6.4451 6.4451 6.4804 6.4804 6.5171 6.5171 6.8028 6.8028 6.8459 6.8459 7.0730 7.0730 7.1008 7.1008 7.6696 7.6696 7.7576 7.7576 10.9028 10.9028 10.9241 10.9241 12.6162 12.6162 12.6961 12.6961 13.0583 13.0583 13.0620 13.0620 k =-0.4120 0.4491 0.2441 ( 3854 PWs) bands (ev): -4.6591 -4.6591 -4.6559 -4.6559 2.2233 2.2233 2.2237 2.2237 3.1119 3.1119 3.1788 3.1788 3.4283 3.4283 3.4971 3.4971 4.3864 4.3864 4.4262 4.4262 4.9681 4.9681 5.0257 5.0257 5.0679 5.0679 5.2063 5.2063 5.3263 5.3263 5.4778 5.4778 6.0074 6.0074 6.0930 6.0930 6.3886 6.3886 6.4510 6.4510 6.4878 6.4878 6.5287 6.5287 6.8071 6.8071 6.8459 6.8459 7.1067 7.1067 7.1267 7.1267 7.6468 7.6468 7.7360 7.7360 10.8681 10.8681 10.8880 10.8880 12.6343 12.6343 12.6806 12.6806 13.0324 13.0324 13.0636 13.0636 k =-0.4183 0.4388 0.2441 ( 3862 PWs) bands (ev): -4.6618 -4.6618 -4.6588 -4.6588 2.2115 2.2115 2.2115 2.2115 3.1181 3.1181 3.1794 3.1794 3.4433 3.4433 3.5065 3.5065 4.3767 4.3767 4.4135 4.4135 4.9756 4.9756 5.0291 5.0291 5.0809 5.0809 5.2177 5.2177 5.3253 5.3253 5.4754 5.4754 6.0104 6.0104 6.0908 6.0908 6.3953 6.3953 6.4567 6.4567 6.4952 6.4952 6.5401 6.5401 6.8115 6.8115 6.8459 6.8459 7.1416 7.1416 7.1538 7.1538 7.6239 7.6239 7.7142 7.7142 10.8348 10.8348 10.8532 10.8532 12.5875 12.5875 12.6047 12.6047 13.0725 13.0725 13.1341 13.1341 k =-0.4246 0.4285 0.2441 ( 3866 PWs) bands (ev): -4.6645 -4.6645 -4.6616 -4.6616 2.2000 2.2000 2.2002 2.2002 3.1230 3.1230 3.1785 3.1785 3.4593 3.4593 3.5166 3.5166 4.3673 4.3673 4.4009 4.4009 4.9827 4.9827 5.0323 5.0323 5.0943 5.0943 5.2283 5.2283 5.3251 5.3251 5.4727 5.4727 6.0138 6.0138 6.0886 6.0886 6.4018 6.4018 6.4627 6.4627 6.5023 6.5023 6.5511 6.5511 6.8159 6.8159 6.8458 6.8458 7.1773 7.1773 7.1817 7.1817 7.6011 7.6011 7.6925 7.6925 10.8031 10.8031 10.8200 10.8200 12.5036 12.5036 12.5066 12.5066 13.1549 13.1549 13.2320 13.2320 k =-0.4309 0.4182 0.2441 ( 3854 PWs) bands (ev): -4.6671 -4.6671 -4.6644 -4.6644 2.1891 2.1891 2.1894 2.1894 3.1269 3.1269 3.1765 3.1765 3.4758 3.4758 3.5270 3.5270 4.3583 4.3583 4.3889 4.3889 4.9896 4.9896 5.0352 5.0352 5.1078 5.1078 5.2378 5.2378 5.3260 5.3260 5.4696 5.4696 6.0176 6.0176 6.0865 6.0865 6.4083 6.4083 6.4688 6.4688 6.5093 6.5093 6.5613 6.5613 6.8203 6.8203 6.8459 6.8459 7.2100 7.2100 7.2134 7.2134 7.5788 7.5788 7.6713 7.6713 10.7731 10.7731 10.7884 10.7884 12.4040 12.4040 12.4077 12.4077 13.2548 13.2548 13.3398 13.3398 k =-0.4372 0.4079 0.2441 ( 3858 PWs) bands (ev): -4.6696 -4.6696 -4.6672 -4.6672 2.1789 2.1789 2.1794 2.1794 3.1300 3.1300 3.1738 3.1738 3.4921 3.4921 3.5374 3.5374 4.3498 4.3498 4.3772 4.3772 4.9962 4.9962 5.0378 5.0378 5.1213 5.1213 5.2457 5.2457 5.3281 5.3281 5.4661 5.4661 6.0216 6.0216 6.0844 6.0844 6.4148 6.4148 6.4748 6.4748 6.5160 6.5160 6.5706 6.5706 6.8246 6.8246 6.8461 6.8461 7.2380 7.2380 7.2495 7.2495 7.5571 7.5571 7.6509 7.6509 10.7448 10.7448 10.7586 10.7586 12.3033 12.3033 12.3104 12.3104 13.3616 13.3616 13.4509 13.4509 k =-0.4434 0.3976 0.2441 ( 3858 PWs) bands (ev): -4.6720 -4.6720 -4.6697 -4.6697 2.1696 2.1696 2.1701 2.1701 3.1324 3.1324 3.1707 3.1707 3.5079 3.5079 3.5475 3.5475 4.3418 4.3418 4.3662 4.3662 5.0024 5.0024 5.0400 5.0400 5.1345 5.1345 5.2516 5.2516 5.3318 5.3318 5.4622 5.4622 6.0257 6.0257 6.0822 6.0822 6.4214 6.4214 6.4804 6.4804 6.5229 6.5229 6.5788 6.5788 6.8288 6.8288 6.8465 6.8465 7.2651 7.2651 7.2851 7.2851 7.5364 7.5364 7.6314 7.6314 10.7185 10.7185 10.7308 10.7308 12.2077 12.2077 12.2165 12.2165 13.4705 13.4705 13.5622 13.5622 k =-0.4497 0.3873 0.2441 ( 3850 PWs) bands (ev): -4.6742 -4.6742 -4.6722 -4.6722 2.1610 2.1610 2.1616 2.1616 3.1343 3.1343 3.1675 3.1675 3.5227 3.5227 3.5570 3.5570 4.3345 4.3345 4.3560 4.3560 5.0084 5.0084 5.0419 5.0419 5.1475 5.1475 5.2554 5.2554 5.3372 5.3372 5.4579 5.4579 6.0300 6.0300 6.0801 6.0801 6.4282 6.4282 6.4852 6.4852 6.5300 6.5300 6.5858 6.5858 6.8328 6.8328 6.8469 6.8469 7.2907 7.2907 7.3194 7.3194 7.5169 7.5169 7.6134 7.6134 10.6942 10.6942 10.7050 10.7050 12.1189 12.1189 12.1284 12.1284 13.5789 13.5789 13.6714 13.6714 k =-0.4560 0.3770 0.2441 ( 3850 PWs) bands (ev): -4.6762 -4.6762 -4.6744 -4.6744 2.1534 2.1534 2.1540 2.1540 3.1359 3.1359 3.1642 3.1642 3.5365 3.5365 3.5657 3.5657 4.3279 4.3279 4.3465 4.3465 5.0140 5.0140 5.0434 5.0434 5.1600 5.1600 5.2569 5.2569 5.3442 5.3442 5.4531 5.4531 6.0343 6.0343 6.0780 6.0780 6.4352 6.4352 6.4890 6.4890 6.5375 6.5375 6.5914 6.5914 6.8364 6.8364 6.8475 6.8475 7.3142 7.3142 7.3518 7.3518 7.4992 7.4992 7.5971 7.5971 10.6721 10.6721 10.6814 10.6814 12.0383 12.0383 12.0478 12.0478 13.6850 13.6850 13.7765 13.7765 k =-0.4623 0.3667 0.2441 ( 3854 PWs) bands (ev): -4.6780 -4.6780 -4.6764 -4.6764 2.1467 2.1467 2.1472 2.1472 3.1373 3.1373 3.1610 3.1610 3.5489 3.5489 3.5734 3.5734 4.3221 4.3221 4.3379 4.3379 5.0191 5.0191 5.0445 5.0445 5.1719 5.1719 5.2566 5.2566 5.3523 5.3523 5.4478 5.4478 6.0385 6.0385 6.0757 6.0757 6.4422 6.4422 6.4914 6.4914 6.5454 6.5454 6.5956 6.5956 6.8397 6.8397 6.8481 6.8481 7.3349 7.3349 7.3812 7.3812 7.4840 7.4840 7.5828 7.5828 10.6524 10.6524 10.6603 10.6603 11.9667 11.9667 11.9757 11.9757 13.7867 13.7867 13.8754 13.8754 k =-0.4686 0.3563 0.2441 ( 3868 PWs) bands (ev): -4.6795 -4.6795 -4.6782 -4.6782 2.1410 2.1410 2.1415 2.1415 3.1385 3.1385 3.1579 3.1579 3.5599 3.5599 3.5798 3.5798 4.3173 4.3173 4.3303 4.3303 5.0239 5.0239 5.0450 5.0450 5.1832 5.1832 5.2547 5.2547 5.3611 5.3611 5.4421 5.4421 6.0426 6.0426 6.0734 6.0734 6.4493 6.4493 6.4925 6.4925 6.5536 6.5536 6.5983 6.5983 6.8425 6.8425 6.8487 6.8487 7.3525 7.3525 7.4052 7.4052 7.4733 7.4733 7.5705 7.5705 10.6352 10.6352 10.6417 10.6417 11.9050 11.9050 11.9132 11.9132 13.8822 13.8822 13.9654 13.9654 k =-0.4749 0.3460 0.2441 ( 3864 PWs) bands (ev): -4.6807 -4.6807 -4.6797 -4.6797 2.1363 2.1363 2.1367 2.1367 3.1398 3.1398 3.1550 3.1550 3.5693 3.5693 3.5850 3.5850 4.3135 4.3135 4.3238 4.3238 5.0283 5.0283 5.0452 5.0452 5.1939 5.1939 5.2515 5.2515 5.3703 5.3703 5.4359 5.4359 6.0465 6.0465 6.0711 6.0711 6.4562 6.4562 6.4923 6.4923 6.5619 6.5619 6.5996 6.5996 6.8450 6.8450 6.8493 6.8493 7.3668 7.3668 7.4190 7.4190 7.4718 7.4718 7.5601 7.5601 10.6209 10.6209 10.6260 10.6260 11.8539 11.8539 11.8608 11.8608 13.9693 13.9693 14.0437 14.0437 k =-0.4811 0.3357 0.2441 ( 3864 PWs) bands (ev): -4.6817 -4.6817 -4.6809 -4.6809 2.1326 2.1326 2.1329 2.1329 3.1411 3.1411 3.1524 3.1524 3.5771 3.5771 3.5887 3.5887 4.3106 4.3106 4.3183 4.3183 5.0321 5.0321 5.0449 5.0449 5.2038 5.2038 5.2472 5.2472 5.3795 5.3795 5.4291 5.4291 6.0503 6.0503 6.0686 6.0686 6.4630 6.4630 6.4909 6.4909 6.5700 6.5700 6.5994 6.5994 6.8471 6.8471 6.8499 6.8499 7.3781 7.3781 7.4198 7.4198 7.4821 7.4821 7.5511 7.5511 10.6095 10.6095 10.6133 10.6133 11.8139 11.8139 11.8193 11.8193 14.0451 14.0451 14.1068 14.1068 k =-0.4874 0.3254 0.2441 ( 3868 PWs) bands (ev): -4.6824 -4.6824 -4.6819 -4.6819 2.1300 2.1300 2.1302 2.1302 3.1425 3.1425 3.1500 3.1500 3.5832 3.5832 3.5909 3.5909 4.3090 4.3090 4.3141 4.3141 5.0355 5.0355 5.0440 5.0440 5.2130 5.2130 5.2420 5.2420 5.3887 5.3887 5.4219 5.4219 6.0538 6.0538 6.0660 6.0660 6.4693 6.4693 6.4883 6.4883 6.5775 6.5775 6.5976 6.5976 6.8486 6.8486 6.8503 6.8503 7.3869 7.3869 7.4143 7.4143 7.4969 7.4969 7.5426 7.5426 10.6014 10.6014 10.6039 10.6039 11.7854 11.7854 11.7891 11.7891 14.1067 14.1067 14.1513 14.1513 k =-0.4937 0.3151 0.2441 ( 3860 PWs) bands (ev): -4.6827 -4.6827 -4.6824 -4.6824 2.1284 2.1284 2.1285 2.1285 3.1441 3.1441 3.1478 3.1478 3.5877 3.5877 3.5915 3.5915 4.3085 4.3085 4.3111 4.3111 5.0384 5.0384 5.0427 5.0427 5.2214 5.2214 5.2360 5.2360 5.3976 5.3976 5.4143 5.4143 6.0571 6.0571 6.0632 6.0632 6.4752 6.4752 6.4848 6.4848 6.5843 6.5843 6.5945 6.5945 6.8497 6.8497 6.8505 6.8505 7.3943 7.3943 7.4076 7.4076 7.5112 7.5112 7.5337 7.5337 10.5967 10.5967 10.5979 10.5979 11.7685 11.7685 11.7704 11.7704 14.1507 14.1507 14.1742 14.1742 k =-0.5000 0.3048 0.2441 ( 3852 PWs) bands (ev): -4.6827 -4.6827 -4.6827 -4.6827 2.1279 2.1279 2.1280 2.1280 3.1458 3.1458 3.1459 3.1459 3.5904 3.5904 3.5906 3.5906 4.3091 4.3091 4.3093 4.3093 5.0407 5.0407 5.0410 5.0410 5.2291 5.2291 5.2292 5.2292 5.4061 5.4061 5.4062 5.4062 6.0602 6.0602 6.0603 6.0603 6.4804 6.4804 6.4804 6.4804 6.5900 6.5900 6.5901 6.5901 6.8503 6.8503 6.8504 6.8504 7.4009 7.4009 7.4010 7.4010 7.5234 7.5234 7.5235 7.5235 10.5955 10.5955 10.5955 10.5955 11.7635 11.7635 11.7635 11.7635 14.1739 14.1739 14.1739 14.1739 k =-0.5000 0.3048 0.2441 ( 3852 PWs) bands (ev): -4.6827 -4.6827 -4.6827 -4.6827 2.1279 2.1279 2.1280 2.1280 3.1458 3.1458 3.1459 3.1459 3.5904 3.5904 3.5906 3.5906 4.3091 4.3091 4.3093 4.3093 5.0407 5.0407 5.0410 5.0410 5.2291 5.2291 5.2292 5.2292 5.4061 5.4061 5.4062 5.4062 6.0602 6.0602 6.0603 6.0603 6.4804 6.4804 6.4804 6.4804 6.5900 6.5900 6.5901 6.5901 6.8503 6.8503 6.8504 6.8504 7.4009 7.4009 7.4010 7.4010 7.5234 7.5234 7.5235 7.5235 10.5955 10.5955 10.5955 10.5955 11.7635 11.7635 11.7635 11.7635 14.1739 14.1739 14.1739 14.1739 k =-0.5000 0.3048 0.2319 ( 3860 PWs) bands (ev): -4.6932 -4.6932 -4.6722 -4.6722 2.0993 2.0993 2.1570 2.1570 3.1024 3.1024 3.1913 3.1913 3.5669 3.5669 3.6153 3.6153 4.2997 4.2997 4.3187 4.3187 5.0356 5.0356 5.0451 5.0451 5.2008 5.2008 5.2509 5.2509 5.3826 5.3826 5.4345 5.4345 6.0188 6.0188 6.0996 6.0996 6.4777 6.4777 6.4826 6.4826 6.5743 6.5743 6.6067 6.6067 6.8480 6.8480 6.8530 6.8530 7.3896 7.3896 7.4090 7.4090 7.5073 7.5073 7.5414 7.5414 10.5299 10.5299 10.6699 10.6699 11.7340 11.7340 11.7905 11.7905 14.1278 14.1278 14.2228 14.2228 k =-0.5000 0.3048 0.2196 ( 3864 PWs) bands (ev): -4.7036 -4.7036 -4.6618 -4.6618 2.0713 2.0713 2.1862 2.1862 3.0614 3.0614 3.2383 3.2383 3.5451 3.5451 3.6413 3.6413 4.2903 4.2903 4.3280 4.3280 5.0291 5.0291 5.0484 5.0484 5.1684 5.1684 5.2612 5.2612 5.3684 5.3684 5.4652 5.4652 5.9756 5.9756 6.1365 6.1365 6.4747 6.4747 6.4837 6.4837 6.5602 6.5602 6.6238 6.6238 6.8460 6.8460 6.8559 6.8559 7.3759 7.3759 7.4122 7.4122 7.4943 7.4943 7.5603 7.5603 10.4734 10.4734 10.7526 10.7526 11.7018 11.7018 11.8149 11.8149 14.0849 14.0849 14.2741 14.2741 k =-0.5000 0.3048 0.2074 ( 3862 PWs) bands (ev): -4.7137 -4.7137 -4.6514 -4.6514 2.0442 2.0442 2.2154 2.2154 3.0231 3.0231 3.2863 3.2863 3.5254 3.5254 3.6684 3.6684 4.2811 4.2811 4.3371 4.3371 5.0211 5.0211 5.0509 5.0509 5.1334 5.1334 5.2566 5.2566 5.3671 5.3671 5.4974 5.4974 5.9313 5.9313 6.1708 6.1708 6.4712 6.4712 6.4829 6.4829 6.5490 6.5490 6.6412 6.6412 6.8444 6.8444 6.8593 6.8593 7.3607 7.3607 7.4091 7.4091 7.4858 7.4858 7.5796 7.5796 10.4261 10.4261 10.8435 10.8435 11.6669 11.6669 11.8369 11.8369 14.0456 14.0456 14.3271 14.3271 k =-0.5000 0.3048 0.1952 ( 3874 PWs) bands (ev): -4.7237 -4.7237 -4.6411 -4.6411 2.0180 2.0180 2.2441 2.2441 2.9878 2.9878 3.3337 3.3337 3.5091 3.5091 3.6965 3.6965 4.2721 4.2721 4.3458 4.3458 5.0112 5.0112 5.0523 5.0523 5.0968 5.0968 5.2412 5.2412 5.3740 5.3740 5.5302 5.5302 5.8867 5.8867 6.2023 6.2023 6.4664 6.4664 6.4796 6.4796 6.5423 6.5423 6.6586 6.6586 6.8430 6.8430 6.8629 6.8629 7.3443 7.3443 7.3998 7.3998 7.4815 7.4815 7.5990 7.5990 10.3882 10.3882 10.9420 10.9420 11.6292 11.6292 11.8567 11.8567 14.0100 14.0100 14.3810 14.3810 k =-0.5000 0.3048 0.1830 ( 3882 PWs) bands (ev): -4.7334 -4.7334 -4.6311 -4.6311 1.9929 1.9929 2.2721 2.2721 2.9557 2.9557 3.3766 3.3766 3.5000 3.5000 3.7255 3.7255 4.2636 4.2636 4.3540 4.3540 4.9988 4.9988 5.0498 5.0498 5.0621 5.0621 5.2223 5.2223 5.3820 5.3820 5.5633 5.5633 5.8429 5.8429 6.2310 6.2310 6.4583 6.4583 6.4753 6.4753 6.5404 6.5404 6.6760 6.6760 6.8420 6.8420 6.8669 6.8669 7.3271 7.3271 7.3865 7.3865 7.4795 7.4795 7.6182 7.6182 10.3595 10.3595 11.0477 11.0477 11.5889 11.5889 11.8744 11.8744 13.9782 13.9782 14.4346 14.4346 k =-0.5000 0.3048 0.1708 ( 3874 PWs) bands (ev): -4.7427 -4.7427 -4.6214 -4.6214 1.9691 1.9691 2.2987 2.2987 2.9273 2.9273 3.4047 3.4047 3.5082 3.5082 3.7553 3.7553 4.2556 4.2556 4.3617 4.3617 4.9834 4.9834 5.0177 5.0177 5.0553 5.0553 5.2038 5.2038 5.3865 5.3865 5.5966 5.5966 5.8016 5.8016 6.2571 6.2571 6.4461 6.4461 6.4722 6.4722 6.5424 6.5424 6.6932 6.6932 6.8413 6.8413 6.8714 6.8714 7.3094 7.3094 7.3711 7.3711 7.4778 7.4778 7.6371 7.6371 10.3400 10.3400 11.1601 11.1601 11.5460 11.5460 11.8901 11.8901 13.9502 13.9502 14.4863 14.4863 k =-0.5000 0.3048 0.1586 ( 3878 PWs) bands (ev): -4.7516 -4.7516 -4.6120 -4.6120 1.9466 1.9466 2.3236 2.3236 2.9027 2.9027 3.4101 3.4101 3.5413 3.5413 3.7860 3.7860 4.2483 4.2483 4.3686 4.3686 4.9647 4.9647 4.9787 4.9787 5.0542 5.0542 5.1877 5.1877 5.3844 5.3844 5.6296 5.6296 5.7646 5.7646 6.2804 6.2804 6.4311 6.4311 6.4699 6.4699 6.5468 6.5468 6.7101 6.7101 6.8409 6.8409 6.8762 6.8762 7.2911 7.2911 7.3551 7.3551 7.4752 7.4752 7.6554 7.6554 10.3294 10.3294 11.2786 11.2786 11.5006 11.5006 11.9042 11.9042 13.9259 13.9259 14.5340 14.5340 k =-0.5000 0.3048 0.1464 ( 3882 PWs) bands (ev): -4.7601 -4.7601 -4.6030 -4.6030 1.9255 1.9255 2.3462 2.3462 2.8825 2.8825 3.4029 3.4029 3.5887 3.5887 3.8175 3.8175 4.2418 4.2418 4.3747 4.3747 4.9382 4.9382 4.9436 4.9436 5.0526 5.0526 5.1745 5.1745 5.3738 5.3738 5.6621 5.6621 5.7340 5.7340 6.3009 6.3009 6.4148 6.4148 6.4681 6.4681 6.5527 6.5527 6.7267 6.7267 6.8407 6.8407 6.8816 6.8816 7.2725 7.2725 7.3392 7.3392 7.4713 7.4713 7.6730 7.6730 10.3274 10.3274 11.4022 11.4022 11.4535 11.4535 11.9168 11.9168 13.9052 13.9052 14.5743 14.5743 k =-0.5000 0.3048 0.1342 ( 3876 PWs) bands (ev): -4.7681 -4.7681 -4.5945 -4.5945 1.9058 1.9058 2.3661 2.3661 2.8668 2.8668 3.3921 3.3921 3.6411 3.6411 3.8500 3.8500 4.2363 4.2363 4.3798 4.3798 4.8989 4.8989 4.9187 4.9187 5.0503 5.0503 5.1645 5.1645 5.3537 5.3537 5.6939 5.6939 5.7112 5.7112 6.3187 6.3187 6.3983 6.3983 6.4665 6.4665 6.5596 6.5596 6.7426 6.7426 6.8407 6.8407 6.8876 6.8876 7.2535 7.2535 7.3240 7.3240 7.4660 7.4660 7.6898 7.6898 10.3336 10.3336 11.4024 11.4024 11.5324 11.5324 11.9282 11.9282 13.8878 13.8878 14.6019 14.6019 k =-0.5000 0.3048 0.1220 ( 3880 PWs) bands (ev): -4.7755 -4.7755 -4.5866 -4.5866 1.8877 1.8877 2.3827 2.3827 2.8557 2.8557 3.3805 3.3805 3.6948 3.6948 3.8836 3.8836 4.2319 4.2319 4.3839 4.3839 4.8596 4.8596 4.8921 4.8921 5.0473 5.0473 5.1569 5.1569 5.3247 5.3247 5.6953 5.6953 5.7255 5.7255 6.3328 6.3328 6.3829 6.3829 6.4651 6.4651 6.5669 6.5669 6.7578 6.7578 6.8408 6.8408 6.8944 6.8944 7.2342 7.2342 7.3098 7.3098 7.4594 7.4594 7.7056 7.7056 10.3473 10.3473 11.3507 11.3507 11.6651 11.6651 11.9391 11.9391 13.8736 13.8736 14.6093 14.6093 k =-0.5000 0.3048 0.1098 ( 3868 PWs) bands (ev): -4.7824 -4.7824 -4.5791 -4.5791 1.8712 1.8712 2.3959 2.3959 2.8493 2.8493 3.3694 3.3694 3.7477 3.7477 3.9187 3.9187 4.2288 4.2288 4.3867 4.3867 4.8209 4.8209 4.8642 4.8642 5.0434 5.0434 5.1511 5.1511 5.2892 5.2892 5.6865 5.6865 5.7556 5.7556 6.3392 6.3392 6.3732 6.3732 6.4637 6.4637 6.5746 6.5746 6.7719 6.7719 6.8410 6.8410 6.9022 6.9022 7.2147 7.2147 7.2969 7.2969 7.4517 7.4517 7.7204 7.7204 10.3681 10.3681 11.2971 11.2971 11.7989 11.7989 11.9519 11.9519 13.8621 13.8621 14.5907 14.5907 k =-0.5000 0.3048 0.0976 ( 3870 PWs) bands (ev): -4.7886 -4.7886 -4.5724 -4.5724 1.8563 1.8563 2.4058 2.4058 2.8470 2.8470 3.3589 3.3589 3.7978 3.7978 3.9560 3.9560 4.2273 4.2273 4.3884 4.3884 4.7830 4.7830 4.8358 4.8358 5.0381 5.0381 5.1462 5.1462 5.2505 5.2505 5.6822 5.6822 5.7845 5.7845 6.3318 6.3318 6.3755 6.3755 6.4621 6.4621 6.5821 6.5821 6.7848 6.7848 6.8412 6.8412 6.9111 6.9111 7.1949 7.1949 7.2854 7.2854 7.4433 7.4433 7.7339 7.7339 10.3951 10.3951 11.2419 11.2419 11.9108 11.9108 11.9888 11.9888 13.8531 13.8531 14.5437 14.5437 k =-0.5000 0.3048 0.0854 ( 3870 PWs) bands (ev): -4.7942 -4.7942 -4.5663 -4.5663 1.8431 1.8431 2.4125 2.4125 2.8482 2.8482 3.3496 3.3496 3.8433 3.8433 3.9964 3.9964 4.2274 4.2274 4.3887 4.3887 4.7464 4.7464 4.8074 4.8074 5.0308 5.0308 5.1408 5.1408 5.2130 5.2130 5.6810 5.6810 5.8118 5.8118 6.3172 6.3172 6.3838 6.3838 6.4604 6.4604 6.5895 6.5895 6.7963 6.7963 6.8413 6.8413 6.9213 6.9213 7.1752 7.1752 7.2752 7.2752 7.4345 7.4345 7.7462 7.7462 10.4279 10.4279 11.1856 11.1856 11.9437 11.9437 12.1061 12.1061 13.8462 13.8462 14.4641 14.4641 k =-0.5000 0.3048 0.0732 ( 3876 PWs) bands (ev): -4.7992 -4.7992 -4.5609 -4.5609 1.8316 1.8316 2.4167 2.4167 2.8522 2.8522 3.3413 3.3413 3.8825 3.8825 4.0401 4.0401 4.2295 4.2295 4.3878 4.3878 4.7115 4.7115 4.7793 4.7793 5.0203 5.0203 5.1320 5.1320 5.1829 5.1829 5.6815 5.6815 5.8373 5.8373 6.3012 6.3012 6.3927 6.3927 6.4584 6.4584 6.5965 6.5965 6.8061 6.8061 6.8413 6.8413 6.9328 6.9328 7.1554 7.1554 7.2666 7.2666 7.4258 7.4258 7.7569 7.7569 10.4656 10.4656 11.1283 11.1283 11.9531 11.9531 12.2473 12.2473 13.8409 13.8409 14.3544 14.3544 k =-0.5000 0.3048 0.0610 ( 3868 PWs) bands (ev): -4.8033 -4.8033 -4.5563 -4.5563 1.8218 1.8218 2.4189 2.4189 2.8578 2.8578 3.3342 3.3342 3.9145 3.9145 4.0868 4.0868 4.2334 4.2334 4.3855 4.3855 4.6788 4.6788 4.7518 4.7518 5.0053 5.0053 5.1177 5.1177 5.1660 5.1660 5.6830 5.6830 5.8606 5.8606 6.2856 6.2856 6.4012 6.4012 6.4562 6.4562 6.6028 6.6028 6.8144 6.8144 6.8412 6.8412 6.9457 6.9457 7.1357 7.1357 7.2595 7.2595 7.4176 7.4176 7.7662 7.7662 10.5076 10.5076 11.0704 11.0704 11.9587 11.9587 12.3912 12.3912 13.8369 13.8369 14.2270 14.2270 k =-0.5000 0.3048 0.0488 ( 3870 PWs) bands (ev): -4.8068 -4.8068 -4.5525 -4.5525 1.8137 1.8137 2.4197 2.4197 2.8640 2.8640 3.3283 3.3283 3.9394 3.9394 4.1346 4.1346 4.2389 4.2389 4.3817 4.3817 4.6491 4.6491 4.7253 4.7253 4.9861 4.9861 5.1027 5.1027 5.1589 5.1589 5.6847 5.6847 5.8810 5.8810 6.2713 6.2713 6.4087 6.4087 6.4538 6.4538 6.6084 6.6084 6.8210 6.8210 6.8409 6.8409 6.9596 6.9596 7.1164 7.1164 7.2537 7.2537 7.4102 7.4102 7.7739 7.7739 10.5531 10.5531 11.0124 11.0124 11.9626 11.9626 12.5329 12.5329 13.8332 13.8332 14.0939 14.0939 k =-0.5000 0.3048 0.0366 ( 3866 PWs) bands (ev): -4.8095 -4.8095 -4.5495 -4.5495 1.8075 1.8075 2.4198 2.4198 2.8698 2.8698 3.3238 3.3238 3.9578 3.9578 4.1810 4.1810 4.2453 4.2453 4.3762 4.3762 4.6234 4.6234 4.7006 4.7006 4.9658 4.9658 5.0920 5.0920 5.1559 5.1559 5.6864 5.6864 5.8982 5.8982 6.2589 6.2589 6.4153 6.4153 6.4512 6.4512 6.6129 6.6129 6.8262 6.8262 6.8404 6.8404 6.9743 6.9743 7.0977 7.0977 7.2493 7.2493 7.4040 7.4040 7.7800 7.7800 10.6011 10.6011 10.9549 10.9549 11.9654 11.9654 12.6675 12.6675 13.8279 13.8279 13.9660 13.9660 k =-0.5000 0.3048 0.0244 ( 3866 PWs) bands (ev): -4.8115 -4.8115 -4.5474 -4.5474 1.8030 1.8030 2.4194 2.4194 2.8746 2.8746 3.3206 3.3206 3.9703 3.9703 4.2225 4.2225 4.2516 4.2516 4.3686 4.3686 4.6031 4.6031 4.6795 4.6795 4.9483 4.9483 5.0855 5.0855 5.1545 5.1545 5.6877 5.6877 5.9113 5.9113 6.2491 6.2491 6.4208 6.4208 6.4486 6.4486 6.6162 6.6162 6.8301 6.8301 6.8398 6.8398 6.9889 6.9889 7.0803 7.0803 7.2463 7.2463 7.3993 7.3993 7.7844 7.7844 10.6503 10.6503 10.8992 10.8992 11.9673 11.9673 12.7865 12.7865 13.8053 13.8053 13.8697 13.8697 k =-0.5000 0.3048 0.0122 ( 3872 PWs) bands (ev): -4.8126 -4.8126 -4.5461 -4.5461 1.8003 1.8003 2.4191 2.4191 2.8777 2.8777 3.3186 3.3186 3.9776 3.9776 4.2508 4.2508 4.2594 4.2594 4.3599 4.3599 4.5900 4.5900 4.6648 4.6648 4.9367 4.9367 5.0820 5.0820 5.1539 5.1539 5.6886 5.6886 5.9195 5.9195 6.2429 6.2429 6.4246 6.4246 6.4464 6.4464 6.6183 6.6183 6.8327 6.8327 6.8389 6.8389 7.0016 7.0016 7.0659 7.0659 7.2444 7.2444 7.3964 7.3964 7.7870 7.7870 10.6965 10.6965 10.8491 10.8491 11.9685 11.9685 12.8742 12.8742 13.7412 13.7412 13.8457 13.8457 k =-0.5000 0.3048 0.0000 ( 3874 PWs) bands (ev): -4.8130 -4.8130 -4.5456 -4.5456 1.7993 1.7993 2.4190 2.4190 2.8788 2.8788 3.3179 3.3179 3.9799 3.9799 4.2553 4.2553 4.2695 4.2695 4.3553 4.3553 4.5854 4.5854 4.6595 4.6595 4.9327 4.9327 5.0810 5.0810 5.1537 5.1537 5.6888 5.6888 5.9223 5.9223 6.2408 6.2408 6.4261 6.4261 6.4454 6.4454 6.6189 6.6189 6.8337 6.8337 6.8384 6.8384 7.0074 7.0074 7.0596 7.0596 7.2438 7.2438 7.3954 7.3954 7.7879 7.7879 10.7215 10.7215 10.8228 10.8228 11.9688 11.9688 12.9078 12.9078 13.7103 13.7103 13.8428 13.8428 k = 0.0000 0.0000 0.2441 ( 3832 PWs) bands (ev): -5.2634 -5.2634 -5.2634 -5.2634 2.9204 2.9204 2.9206 2.9206 3.4413 3.4413 3.4415 3.4415 3.6371 3.6371 3.6372 3.6372 4.3757 4.3757 4.3760 4.3760 4.5577 4.5577 4.5580 4.5580 5.0087 5.0087 5.0089 5.0089 5.2015 5.2015 5.2017 5.2017 5.3582 5.3582 5.3584 5.3584 6.5198 6.5198 6.5199 6.5199 6.6949 6.6949 6.6949 6.6949 6.7908 6.7908 6.7908 6.7908 8.9237 8.9237 8.9237 8.9237 9.0394 9.0394 9.0394 9.0394 10.3453 10.3453 10.3454 10.3454 12.6552 12.6552 12.6552 12.6552 14.2540 14.2540 14.2540 14.2540 k =-0.0104 0.0064 0.2441 ( 3824 PWs) bands (ev): -5.2629 -5.2629 -5.2628 -5.2628 2.9192 2.9192 2.9194 2.9194 3.4419 3.4419 3.4421 3.4421 3.6371 3.6371 3.6373 3.6373 4.3755 4.3755 4.3758 4.3758 4.5582 4.5582 4.5584 4.5584 5.0088 5.0088 5.0090 5.0090 5.2020 5.2020 5.2022 5.2022 5.3582 5.3582 5.3584 5.3584 6.5200 6.5200 6.5200 6.5200 6.6950 6.6950 6.6950 6.6950 6.7910 6.7910 6.7910 6.7910 8.9206 8.9206 8.9206 8.9206 9.0335 9.0335 9.0335 9.0335 10.3535 10.3535 10.3536 10.3536 12.6541 12.6541 12.6541 12.6541 14.2572 14.2572 14.2572 14.2572 k =-0.0208 0.0127 0.2441 ( 3820 PWs) bands (ev): -5.2612 -5.2612 -5.2612 -5.2612 2.9156 2.9156 2.9157 2.9157 3.4436 3.4436 3.4437 3.4437 3.6371 3.6371 3.6373 3.6373 4.3747 4.3747 4.3750 4.3750 4.5594 4.5594 4.5596 4.5596 5.0090 5.0090 5.0092 5.0092 5.2034 5.2034 5.2036 5.2036 5.3582 5.3582 5.3584 5.3584 6.5202 6.5202 6.5202 6.5202 6.6951 6.6951 6.6951 6.6951 6.7917 6.7917 6.7917 6.7917 8.9109 8.9109 8.9109 8.9109 9.0167 9.0167 9.0167 9.0167 10.3775 10.3775 10.3776 10.3776 12.6508 12.6508 12.6508 12.6508 14.2667 14.2667 14.2667 14.2667 k =-0.0312 0.0191 0.2441 ( 3830 PWs) bands (ev): -5.2584 -5.2584 -5.2584 -5.2584 2.9096 2.9096 2.9097 2.9097 3.4463 3.4463 3.4464 3.4464 3.6371 3.6371 3.6373 3.6373 4.3734 4.3734 4.3736 4.3736 4.5614 4.5614 4.5616 4.5616 5.0093 5.0093 5.0095 5.0095 5.2057 5.2057 5.2059 5.2059 5.3582 5.3582 5.3584 5.3584 6.5206 6.5206 6.5206 6.5206 6.6952 6.6952 6.6952 6.6952 6.7927 6.7927 6.7927 6.7927 8.8935 8.8935 8.8935 8.8935 8.9916 8.9916 8.9916 8.9916 10.4159 10.4159 10.4160 10.4160 12.6453 12.6453 12.6454 12.6454 14.2825 14.2825 14.2825 14.2825 k =-0.0417 0.0254 0.2441 ( 3826 PWs) bands (ev): -5.2546 -5.2546 -5.2546 -5.2546 2.9014 2.9014 2.9016 2.9016 3.4498 3.4498 3.4500 3.4500 3.6372 3.6372 3.6374 3.6374 4.3716 4.3716 4.3719 4.3719 4.5642 4.5642 4.5644 4.5644 5.0099 5.0099 5.0101 5.0101 5.2089 5.2089 5.2090 5.2090 5.3583 5.3583 5.3585 5.3585 6.5211 6.5211 6.5212 6.5212 6.6955 6.6955 6.6955 6.6955 6.7943 6.7943 6.7943 6.7943 8.8664 8.8664 8.8664 8.8664 8.9621 8.9621 8.9621 8.9621 10.4666 10.4666 10.4667 10.4667 12.6378 12.6378 12.6378 12.6378 14.3043 14.3043 14.3044 14.3044 k =-0.0521 0.0318 0.2441 ( 3830 PWs) bands (ev): -5.2496 -5.2496 -5.2496 -5.2496 2.8911 2.8911 2.8913 2.8913 3.4541 3.4541 3.4542 3.4542 3.6373 3.6373 3.6374 3.6374 4.3694 4.3694 4.3697 4.3697 4.5677 4.5677 4.5679 4.5679 5.0106 5.0106 5.0108 5.0108 5.2129 5.2129 5.2131 5.2131 5.3585 5.3585 5.3587 5.3587 6.5218 6.5218 6.5218 6.5218 6.6957 6.6957 6.6957 6.6957 6.7963 6.7963 6.7963 6.7963 8.8281 8.8281 8.8281 8.8281 8.9320 8.9320 8.9320 8.9320 10.5275 10.5275 10.5276 10.5276 12.6280 12.6280 12.6280 12.6280 14.3321 14.3321 14.3321 14.3321 k =-0.0625 0.0381 0.2441 ( 3826 PWs) bands (ev): -5.2436 -5.2436 -5.2436 -5.2436 2.8790 2.8790 2.8791 2.8791 3.4588 3.4588 3.4590 3.4590 3.6373 3.6373 3.6375 3.6375 4.3669 4.3669 4.3672 4.3672 4.5719 4.5719 4.5721 4.5721 5.0116 5.0116 5.0118 5.0118 5.2178 5.2178 5.2180 5.2180 5.3590 5.3590 5.3591 5.3591 6.5227 6.5227 6.5227 6.5227 6.6960 6.6960 6.6960 6.6960 6.7987 6.7987 6.7987 6.7987 8.7792 8.7792 8.7792 8.7792 8.9026 8.9026 8.9026 8.9026 10.5964 10.5964 10.5965 10.5965 12.6162 12.6162 12.6162 12.6162 14.3655 14.3655 14.3655 14.3655 k =-0.0729 0.0445 0.2441 ( 3834 PWs) bands (ev): -5.2366 -5.2366 -5.2366 -5.2366 2.8651 2.8651 2.8652 2.8652 3.4638 3.4638 3.4639 3.4639 3.6374 3.6374 3.6376 3.6376 4.3641 4.3641 4.3644 4.3644 4.5767 4.5767 4.5769 4.5769 5.0127 5.0127 5.0129 5.0129 5.2234 5.2234 5.2236 5.2236 5.3598 5.3598 5.3599 5.3599 6.5236 6.5236 6.5236 6.5236 6.6962 6.6962 6.6962 6.6962 6.8017 6.8017 6.8017 6.8017 8.7222 8.7222 8.7223 8.7223 8.8730 8.8730 8.8730 8.8730 10.6716 10.6716 10.6716 10.6716 12.6024 12.6024 12.6024 12.6024 14.4040 14.4040 14.4041 14.4041 k =-0.0833 0.0508 0.2441 ( 3822 PWs) bands (ev): -5.2285 -5.2285 -5.2285 -5.2285 2.8497 2.8497 2.8498 2.8498 3.4687 3.4687 3.4689 3.4689 3.6375 3.6375 3.6377 3.6377 4.3612 4.3612 4.3614 4.3614 4.5822 4.5822 4.5824 4.5824 5.0142 5.0142 5.0144 5.0144 5.2298 5.2298 5.2300 5.2300 5.3611 5.3611 5.3613 5.3613 6.5247 6.5247 6.5247 6.5247 6.6965 6.6965 6.6965 6.6965 6.8052 6.8052 6.8052 6.8052 8.6598 8.6598 8.6599 8.6599 8.8423 8.8423 8.8424 8.8424 10.7512 10.7512 10.7513 10.7513 12.5865 12.5865 12.5866 12.5866 14.4470 14.4470 14.4471 14.4471 k =-0.0938 0.0572 0.2441 ( 3834 PWs) bands (ev): -5.2194 -5.2194 -5.2194 -5.2194 2.8328 2.8328 2.8329 2.8329 3.4734 3.4734 3.4735 3.4735 3.6376 3.6376 3.6377 3.6377 4.3580 4.3580 4.3582 4.3582 4.5881 4.5881 4.5883 4.5883 5.0159 5.0159 5.0161 5.0161 5.2367 5.2367 5.2369 5.2369 5.3630 5.3630 5.3631 5.3631 6.5259 6.5259 6.5259 6.5259 6.6968 6.6968 6.6968 6.6968 6.8093 6.8093 6.8093 6.8093 8.5937 8.5937 8.5937 8.5937 8.8099 8.8099 8.8099 8.8099 10.8340 10.8340 10.8341 10.8341 12.5688 12.5688 12.5688 12.5688 14.4916 14.4916 14.4916 14.4916 k =-0.1042 0.0635 0.2441 ( 3826 PWs) bands (ev): -5.2093 -5.2093 -5.2093 -5.2093 2.8148 2.8148 2.8149 2.8149 3.4776 3.4776 3.4777 3.4777 3.6377 3.6377 3.6378 3.6378 4.3548 4.3548 4.3550 4.3550 4.5946 4.5946 4.5948 4.5948 5.0180 5.0180 5.0181 5.0181 5.2444 5.2444 5.2445 5.2445 5.3657 5.3657 5.3658 5.3658 6.5273 6.5273 6.5273 6.5273 6.6971 6.6971 6.6971 6.6971 6.8140 6.8140 6.8140 6.8140 8.5251 8.5251 8.5251 8.5251 8.7755 8.7755 8.7755 8.7755 10.9186 10.9186 10.9187 10.9187 12.5492 12.5492 12.5492 12.5492 14.5059 14.5059 14.5059 14.5059 k =-0.1146 0.0699 0.2441 ( 3826 PWs) bands (ev): -5.1983 -5.1983 -5.1983 -5.1983 2.7957 2.7957 2.7958 2.7958 3.4811 3.4811 3.4812 3.4812 3.6377 3.6377 3.6379 3.6379 4.3516 4.3516 4.3518 4.3518 4.6015 4.6015 4.6017 4.6017 5.0204 5.0204 5.0205 5.0205 5.2525 5.2525 5.2527 5.2527 5.3693 5.3693 5.3694 5.3694 6.5287 6.5287 6.5287 6.5287 6.6973 6.6973 6.6973 6.6973 6.8193 6.8193 6.8193 6.8193 8.4550 8.4550 8.4550 8.4550 8.7391 8.7391 8.7391 8.7391 11.0038 11.0038 11.0038 11.0038 12.5278 12.5278 12.5278 12.5278 14.4501 14.4501 14.4501 14.4501 k =-0.1250 0.0762 0.2441 ( 3826 PWs) bands (ev): -5.1864 -5.1864 -5.1864 -5.1864 2.7756 2.7756 2.7757 2.7757 3.4837 3.4837 3.4838 3.4838 3.6377 3.6377 3.6379 3.6379 4.3485 4.3485 4.3487 4.3487 4.6089 4.6089 4.6091 4.6091 5.0232 5.0232 5.0233 5.0233 5.2612 5.2612 5.2613 5.2613 5.3740 5.3740 5.3741 5.3741 6.5302 6.5302 6.5302 6.5302 6.6975 6.6975 6.6975 6.6975 6.8252 6.8252 6.8252 6.8252 8.3840 8.3840 8.3840 8.3840 8.7008 8.7008 8.7008 8.7008 11.0884 11.0884 11.0884 11.0884 12.5048 12.5048 12.5048 12.5048 14.3858 14.3858 14.3858 14.3858 k =-0.1354 0.0826 0.2441 ( 3830 PWs) bands (ev): -5.1736 -5.1736 -5.1736 -5.1736 2.7548 2.7548 2.7549 2.7549 3.4852 3.4852 3.4853 3.4853 3.6377 3.6377 3.6379 3.6379 4.3454 4.3454 4.3457 4.3457 4.6166 4.6166 4.6168 4.6168 5.0263 5.0263 5.0264 5.0264 5.2701 5.2701 5.2702 5.2702 5.3799 5.3799 5.3800 5.3800 6.5317 6.5317 6.5317 6.5317 6.6975 6.6975 6.6975 6.6975 6.8318 6.8318 6.8318 6.8318 8.3125 8.3125 8.3125 8.3125 8.6607 8.6607 8.6607 8.6607 11.1712 11.1712 11.1712 11.1712 12.4803 12.4803 12.4803 12.4803 14.3238 14.3238 14.3238 14.3238 k =-0.1458 0.0889 0.2441 ( 3834 PWs) bands (ev): -5.1600 -5.1600 -5.1600 -5.1600 2.7332 2.7332 2.7333 2.7333 3.4854 3.4854 3.4856 3.4856 3.6377 3.6377 3.6378 3.6378 4.3426 4.3426 4.3428 4.3428 4.6248 4.6248 4.6249 4.6249 5.0299 5.0299 5.0300 5.0300 5.2793 5.2793 5.2794 5.2794 5.3872 5.3872 5.3874 5.3874 6.5333 6.5333 6.5333 6.5333 6.6976 6.6976 6.6976 6.6976 6.8390 6.8390 6.8390 6.8390 8.2410 8.2410 8.2410 8.2410 8.6190 8.6190 8.6190 8.6190 11.2509 11.2509 11.2510 11.2510 12.4544 12.4544 12.4544 12.4544 14.2663 14.2663 14.2663 14.2663 k =-0.1562 0.0953 0.2441 ( 3834 PWs) bands (ev): -5.1456 -5.1456 -5.1456 -5.1456 2.7110 2.7110 2.7111 2.7111 3.4844 3.4844 3.4845 3.4845 3.6375 3.6375 3.6377 3.6377 4.3400 4.3400 4.3402 4.3402 4.6332 4.6332 4.6334 4.6334 5.0339 5.0339 5.0340 5.0340 5.2887 5.2887 5.2888 5.2888 5.3961 5.3961 5.3963 5.3963 6.5349 6.5349 6.5349 6.5349 6.6975 6.6975 6.6975 6.6975 6.8469 6.8469 6.8469 6.8469 8.1697 8.1697 8.1697 8.1697 8.5760 8.5760 8.5760 8.5760 11.3264 11.3264 11.3265 11.3265 12.4272 12.4272 12.4273 12.4273 14.2148 14.2148 14.2149 14.2149 k =-0.1667 0.1016 0.2441 ( 3834 PWs) bands (ev): -5.1305 -5.1305 -5.1305 -5.1305 2.6883 2.6883 2.6884 2.6884 3.4819 3.4819 3.4820 3.4820 3.6373 3.6373 3.6375 3.6375 4.3376 4.3376 4.3378 4.3378 4.6420 4.6420 4.6422 4.6422 5.0384 5.0384 5.0385 5.0385 5.2982 5.2982 5.2982 5.2982 5.4067 5.4067 5.4069 5.4069 6.5364 6.5364 6.5364 6.5364 6.6974 6.6974 6.6974 6.6974 6.8555 6.8555 6.8555 6.8555 8.0990 8.0990 8.0990 8.0990 8.5318 8.5318 8.5318 8.5318 11.3963 11.3963 11.3964 11.3964 12.3991 12.3991 12.3991 12.3991 14.1707 14.1707 14.1707 14.1707 k =-0.1771 0.1080 0.2441 ( 3842 PWs) bands (ev): -5.1147 -5.1147 -5.1147 -5.1147 2.6652 2.6652 2.6653 2.6653 3.4779 3.4779 3.4781 3.4781 3.6370 3.6370 3.6371 3.6371 4.3355 4.3355 4.3357 4.3357 4.6512 4.6512 4.6513 4.6513 5.0433 5.0433 5.0435 5.0435 5.3075 5.3075 5.3076 5.3076 5.4191 5.4191 5.4192 5.4192 6.5379 6.5379 6.5380 6.5380 6.6971 6.6971 6.6971 6.6971 6.8648 6.8648 6.8648 6.8648 8.0289 8.0289 8.0289 8.0289 8.4866 8.4866 8.4866 8.4866 11.4592 11.4592 11.4593 11.4593 12.3701 12.3701 12.3701 12.3701 14.1350 14.1350 14.1350 14.1350 k =-0.1875 0.1143 0.2441 ( 3848 PWs) bands (ev): -5.0983 -5.0983 -5.0983 -5.0983 2.6417 2.6417 2.6418 2.6418 3.4725 3.4725 3.4727 3.4727 3.6365 3.6365 3.6366 3.6366 4.3337 4.3337 4.3339 4.3339 4.6606 4.6606 4.6608 4.6608 5.0488 5.0488 5.0489 5.0489 5.3169 5.3169 5.3170 5.3170 5.4333 5.4333 5.4334 5.4334 6.5394 6.5394 6.5394 6.5394 6.6967 6.6967 6.6968 6.6968 6.8748 6.8748 6.8748 6.8748 7.9597 7.9597 7.9598 7.9598 8.4406 8.4406 8.4406 8.4406 11.5138 11.5138 11.5139 11.5139 12.3405 12.3405 12.3406 12.3406 14.1087 14.1087 14.1087 14.1087 k =-0.1979 0.1207 0.2441 ( 3844 PWs) bands (ev): -5.0813 -5.0813 -5.0813 -5.0813 2.6180 2.6180 2.6180 2.6180 3.4657 3.4657 3.4658 3.4658 3.6359 3.6359 3.6361 3.6361 4.3321 4.3321 4.3324 4.3324 4.6705 4.6705 4.6707 4.6707 5.0547 5.0547 5.0548 5.0548 5.3261 5.3261 5.3263 5.3263 5.4493 5.4493 5.4495 5.4495 6.5408 6.5408 6.5408 6.5408 6.6963 6.6963 6.6963 6.6963 6.8855 6.8855 6.8855 6.8855 7.8917 7.8917 7.8917 7.8917 8.3941 8.3941 8.3941 8.3941 11.5589 11.5589 11.5590 11.5590 12.3106 12.3106 12.3107 12.3107 14.0927 14.0927 14.0928 14.0928 k =-0.2083 0.1270 0.2441 ( 3850 PWs) bands (ev): -5.0638 -5.0638 -5.0638 -5.0638 2.5940 2.5940 2.5941 2.5941 3.4574 3.4574 3.4575 3.4575 3.6351 3.6351 3.6352 3.6352 4.3309 4.3309 4.3311 4.3311 4.6807 4.6807 4.6809 4.6809 5.0610 5.0610 5.0612 5.0612 5.3352 5.3352 5.3353 5.3353 5.4672 5.4672 5.4673 5.4673 6.5420 6.5420 6.5421 6.5421 6.6957 6.6957 6.6957 6.6957 6.8968 6.8968 6.8968 6.8968 7.8249 7.8249 7.8250 7.8250 8.3472 8.3472 8.3473 8.3473 11.5934 11.5934 11.5934 11.5934 12.2807 12.2807 12.2807 12.2807 14.0876 14.0876 14.0876 14.0876 k =-0.2188 0.1334 0.2441 ( 3844 PWs) bands (ev): -5.0459 -5.0459 -5.0459 -5.0459 2.5699 2.5699 2.5700 2.5700 3.4478 3.4478 3.4479 3.4479 3.6341 3.6341 3.6343 3.6343 4.3298 4.3298 4.3301 4.3301 4.6913 4.6913 4.6915 4.6915 5.0679 5.0679 5.0680 5.0680 5.3440 5.3440 5.3442 5.3442 5.4869 5.4869 5.4870 5.4870 6.5432 6.5432 6.5432 6.5432 6.6949 6.6949 6.6949 6.6949 6.9088 6.9088 6.9088 6.9088 7.7598 7.7598 7.7598 7.7598 8.3002 8.3002 8.3003 8.3003 11.6165 11.6165 11.6166 11.6166 12.2509 12.2509 12.2509 12.2509 14.0932 14.0932 14.0933 14.0933 k =-0.2292 0.1397 0.2441 ( 3846 PWs) bands (ev): -5.0276 -5.0276 -5.0276 -5.0276 2.5457 2.5457 2.5458 2.5458 3.4370 3.4370 3.4371 3.4371 3.6329 3.6329 3.6331 3.6331 4.3290 4.3290 4.3293 4.3293 4.7023 4.7023 4.7025 4.7025 5.0751 5.0751 5.0753 5.0753 5.3526 5.3526 5.3528 5.3528 5.5082 5.5082 5.5084 5.5084 6.5442 6.5442 6.5442 6.5442 6.6939 6.6939 6.6939 6.6939 6.9213 6.9213 6.9213 6.9213 7.6963 7.6963 7.6963 7.6963 8.2532 8.2532 8.2532 8.2532 11.6280 11.6280 11.6281 11.6281 12.2214 12.2214 12.2215 12.2215 14.1094 14.1094 14.1095 14.1095 k =-0.2396 0.1461 0.2441 ( 3848 PWs) bands (ev): -5.0090 -5.0090 -5.0090 -5.0090 2.5216 2.5216 2.5217 2.5217 3.4250 3.4250 3.4251 3.4251 3.6315 3.6315 3.6317 3.6317 4.3283 4.3283 4.3286 4.3286 4.7138 4.7138 4.7139 4.7139 5.0828 5.0828 5.0829 5.0829 5.3609 5.3609 5.3611 5.3611 5.5312 5.5312 5.5313 5.5313 6.5450 6.5450 6.5450 6.5450 6.6927 6.6927 6.6927 6.6927 6.9343 6.9343 6.9343 6.9343 7.6347 7.6347 7.6347 7.6347 8.2064 8.2064 8.2064 8.2064 11.6280 11.6280 11.6281 11.6281 12.1926 12.1926 12.1926 12.1926 14.1352 14.1352 14.1353 14.1353 k =-0.2500 0.1524 0.2441 ( 3840 PWs) bands (ev): -4.9902 -4.9902 -4.9902 -4.9902 2.4975 2.4975 2.4976 2.4976 3.4120 3.4120 3.4122 3.4122 3.6300 3.6300 3.6301 3.6301 4.3278 4.3278 4.3280 4.3280 4.7258 4.7258 4.7259 4.7259 5.0908 5.0908 5.0909 5.0909 5.3689 5.3689 5.3690 5.3690 5.5556 5.5556 5.5558 5.5558 6.5456 6.5456 6.5457 6.5457 6.6913 6.6913 6.6913 6.6913 6.9476 6.9476 6.9476 6.9476 7.5754 7.5754 7.5754 7.5754 8.1600 8.1600 8.1600 8.1600 11.6170 11.6170 11.6170 11.6170 12.1643 12.1643 12.1643 12.1643 14.1691 14.1691 14.1691 14.1691 k =-0.2604 0.1588 0.2441 ( 3852 PWs) bands (ev): -4.9713 -4.9713 -4.9713 -4.9713 2.4735 2.4735 2.4736 2.4736 3.3982 3.3982 3.3983 3.3983 3.6282 3.6282 3.6284 3.6284 4.3273 4.3273 4.3275 4.3275 4.7382 4.7382 4.7384 4.7384 5.0990 5.0990 5.0991 5.0991 5.3764 5.3764 5.3766 5.3766 5.5814 5.5814 5.5815 5.5815 6.5460 6.5460 6.5460 6.5460 6.6895 6.6895 6.6895 6.6895 6.9610 6.9610 6.9610 6.9610 7.5186 7.5186 7.5186 7.5186 8.1141 8.1141 8.1141 8.1141 11.5958 11.5958 11.5959 11.5959 12.1366 12.1366 12.1367 12.1367 14.2091 14.2091 14.2091 14.2091 k =-0.2708 0.1651 0.2441 ( 3848 PWs) bands (ev): -4.9523 -4.9523 -4.9522 -4.9522 2.4497 2.4497 2.4498 2.4498 3.3837 3.3837 3.3838 3.3838 3.6263 3.6263 3.6265 3.6265 4.3268 4.3268 4.3270 4.3270 4.7512 4.7512 4.7514 4.7514 5.1074 5.1074 5.1076 5.1076 5.3836 5.3836 5.3837 5.3837 5.6083 5.6083 5.6084 5.6084 6.5463 6.5463 6.5463 6.5463 6.6875 6.6875 6.6875 6.6875 6.9744 6.9744 6.9744 6.9744 7.4648 7.4648 7.4648 7.4648 8.0690 8.0690 8.0690 8.0690 11.5658 11.5658 11.5658 11.5658 12.1095 12.1095 12.1095 12.1095 14.2527 14.2527 14.2527 14.2527 k =-0.2812 0.1715 0.2441 ( 3848 PWs) bands (ev): -4.9332 -4.9332 -4.9332 -4.9332 2.4262 2.4262 2.4262 2.4262 3.3686 3.3686 3.3687 3.3687 3.6243 3.6243 3.6245 3.6245 4.3263 4.3263 4.3265 4.3265 4.7648 4.7648 4.7649 4.7649 5.1161 5.1161 5.1162 5.1162 5.3903 5.3903 5.3904 5.3904 5.6361 5.6361 5.6363 5.6363 6.5462 6.5462 6.5463 6.5463 6.6851 6.6851 6.6851 6.6851 6.9872 6.9872 6.9872 6.9872 7.4146 7.4146 7.4146 7.4146 8.0247 8.0247 8.0247 8.0247 11.5280 11.5280 11.5280 11.5280 12.0830 12.0830 12.0830 12.0830 14.2971 14.2971 14.2971 14.2971 k =-0.2917 0.1778 0.2441 ( 3850 PWs) bands (ev): -4.9143 -4.9143 -4.9143 -4.9143 2.4030 2.4030 2.4030 2.4030 3.3530 3.3530 3.3532 3.3532 3.6222 3.6222 3.6224 3.6224 4.3257 4.3257 4.3260 4.3260 4.7789 4.7789 4.7791 4.7791 5.1248 5.1248 5.1250 5.1250 5.3964 5.3964 5.3965 5.3965 5.6647 5.6647 5.6649 5.6649 6.5460 6.5460 6.5460 6.5460 6.6822 6.6822 6.6823 6.6823 6.9988 6.9988 6.9989 6.9989 7.3686 7.3686 7.3686 7.3686 7.9814 7.9814 7.9814 7.9814 11.4837 11.4837 11.4838 11.4838 12.0569 12.0569 12.0570 12.0570 14.3391 14.3391 14.3392 14.3392 k =-0.3021 0.1842 0.2441 ( 3842 PWs) bands (ev): -4.8956 -4.8956 -4.8956 -4.8956 2.3802 2.3802 2.3803 2.3803 3.3373 3.3373 3.3374 3.3374 3.6200 3.6200 3.6202 3.6202 4.3251 4.3251 4.3254 4.3254 4.7936 4.7936 4.7937 4.7937 5.1336 5.1336 5.1337 5.1337 5.4020 5.4020 5.4021 5.4021 5.6939 5.6939 5.6941 5.6941 6.5455 6.5455 6.5455 6.5455 6.6790 6.6790 6.6790 6.6790 7.0085 7.0085 7.0085 7.0085 7.3281 7.3281 7.3281 7.3281 7.9393 7.9393 7.9393 7.9393 11.4342 11.4342 11.4342 11.4342 12.0315 12.0315 12.0315 12.0315 14.3756 14.3756 14.3757 14.3757 k =-0.3125 0.1905 0.2441 ( 3842 PWs) bands (ev): -4.8772 -4.8772 -4.8772 -4.8772 2.3579 2.3579 2.3579 2.3579 3.3214 3.3214 3.3215 3.3215 3.6178 3.6178 3.6179 3.6179 4.3244 4.3244 4.3246 4.3246 4.8087 4.8087 4.8089 4.8089 5.1423 5.1423 5.1425 5.1425 5.4069 5.4069 5.4071 5.4071 5.7235 5.7235 5.7236 5.7236 6.5447 6.5447 6.5447 6.5447 6.6751 6.6751 6.6751 6.6751 7.0147 7.0147 7.0148 7.0148 7.2943 7.2943 7.2944 7.2944 7.8985 7.8985 7.8985 7.8985 11.3805 11.3805 11.3805 11.3805 12.0067 12.0067 12.0067 12.0067 14.4039 14.4039 14.4040 14.4040 k =-0.3229 0.1969 0.2441 ( 3838 PWs) bands (ev): -4.8591 -4.8591 -4.8591 -4.8591 2.3362 2.3362 2.3362 2.3362 3.3056 3.3056 3.3057 3.3057 3.6155 3.6155 3.6156 3.6156 4.3236 4.3236 4.3238 4.3238 4.8243 4.8243 4.8245 4.8245 5.1510 5.1510 5.1511 5.1511 5.4112 5.4112 5.4114 5.4114 5.7531 5.7531 5.7532 5.7532 6.5436 6.5436 6.5436 6.5436 6.6706 6.6706 6.6707 6.6707 7.0162 7.0162 7.0162 7.0162 7.2691 7.2691 7.2691 7.2691 7.8591 7.8591 7.8591 7.8591 11.3236 11.3236 11.3236 11.3236 11.9826 11.9826 11.9826 11.9826 14.4221 14.4221 14.4222 14.4222 k =-0.3333 0.2032 0.2441 ( 3842 PWs) bands (ev): -4.8414 -4.8414 -4.8414 -4.8414 2.3150 2.3150 2.3151 2.3151 3.2899 3.2899 3.2900 3.2900 3.6132 3.6132 3.6133 3.6133 4.3227 4.3227 4.3229 4.3229 4.8403 4.8403 4.8405 4.8405 5.1594 5.1594 5.1596 5.1596 5.4148 5.4148 5.4149 5.4149 5.7825 5.7825 5.7826 5.7826 6.5422 6.5422 6.5422 6.5422 6.6655 6.6655 6.6655 6.6655 7.0115 7.0115 7.0115 7.0115 7.2535 7.2535 7.2535 7.2535 7.8213 7.8213 7.8213 7.8213 11.2645 11.2645 11.2645 11.2645 11.9594 11.9594 11.9594 11.9594 14.4295 14.4295 14.4296 14.4296 k =-0.3438 0.2096 0.2441 ( 3850 PWs) bands (ev): -4.8243 -4.8243 -4.8243 -4.8243 2.2946 2.2946 2.2947 2.2947 3.2746 3.2746 3.2747 3.2747 3.6108 3.6108 3.6110 3.6110 4.3216 4.3216 4.3219 4.3219 4.8566 4.8566 4.8568 4.8568 5.1676 5.1676 5.1677 5.1677 5.4176 5.4176 5.4178 5.4178 5.8115 5.8115 5.8116 5.8116 6.5404 6.5404 6.5404 6.5404 6.6597 6.6597 6.6597 6.6597 7.0008 7.0008 7.0008 7.0008 7.2477 7.2477 7.2477 7.2477 7.7852 7.7852 7.7852 7.7852 11.2039 11.2039 11.2040 11.2040 11.9371 11.9371 11.9371 11.9371 14.4269 14.4269 14.4269 14.4269 k =-0.3542 0.2159 0.2441 ( 3846 PWs) bands (ev): -4.8078 -4.8078 -4.8078 -4.8078 2.2751 2.2751 2.2751 2.2751 3.2597 3.2597 3.2598 3.2598 3.6086 3.6086 3.6088 3.6088 4.3206 4.3206 4.3209 4.3209 4.8733 4.8733 4.8734 4.8734 5.1755 5.1755 5.1756 5.1756 5.4197 5.4197 5.4199 5.4199 5.8399 5.8399 5.8400 5.8400 6.5382 6.5382 6.5382 6.5382 6.6534 6.6534 6.6534 6.6534 6.9856 6.9856 6.9856 6.9856 7.2502 7.2502 7.2502 7.2502 7.7510 7.7510 7.7510 7.7510 11.1428 11.1428 11.1428 11.1428 11.9159 11.9159 11.9159 11.9159 14.4158 14.4158 14.4158 14.4158 k =-0.3646 0.2223 0.2441 ( 3860 PWs) bands (ev): -4.7920 -4.7920 -4.7920 -4.7920 2.2564 2.2564 2.2564 2.2564 3.2454 3.2454 3.2455 3.2455 3.6063 3.6063 3.6065 3.6065 4.3194 4.3194 4.3197 4.3197 4.8899 4.8899 4.8901 4.8901 5.1830 5.1830 5.1831 5.1831 5.4211 5.4211 5.4212 5.4212 5.8674 5.8674 5.8675 5.8675 6.5354 6.5354 6.5354 6.5354 6.6464 6.6464 6.6464 6.6464 6.9679 6.9679 6.9679 6.9679 7.2587 7.2587 7.2587 7.2587 7.7187 7.7187 7.7187 7.7187 11.0818 11.0818 11.0818 11.0818 11.8958 11.8958 11.8958 11.8958 14.3982 14.3982 14.3983 14.3983 k =-0.3750 0.2286 0.2441 ( 3870 PWs) bands (ev): -4.7770 -4.7770 -4.7770 -4.7770 2.2386 2.2386 2.2387 2.2387 3.2316 3.2316 3.2318 3.2318 3.6042 3.6042 3.6044 3.6044 4.3182 4.3182 4.3185 4.3185 4.9067 4.9067 4.9069 4.9069 5.1900 5.1900 5.1902 5.1902 5.4218 5.4218 5.4219 5.4219 5.8937 5.8937 5.8938 5.8938 6.5322 6.5322 6.5322 6.5322 6.6391 6.6391 6.6391 6.6391 6.9498 6.9498 6.9498 6.9498 7.2711 7.2711 7.2711 7.2711 7.6885 7.6885 7.6886 7.6886 11.0217 11.0217 11.0217 11.0217 11.8769 11.8769 11.8769 11.8769 14.3763 14.3763 14.3764 14.3764 k =-0.3854 0.2350 0.2441 ( 3870 PWs) bands (ev): -4.7629 -4.7629 -4.7629 -4.7629 2.2219 2.2219 2.2220 2.2220 3.2187 3.2187 3.2189 3.2189 3.6022 3.6022 3.6024 3.6024 4.3171 4.3171 4.3173 4.3173 4.9233 4.9233 4.9235 4.9235 5.1966 5.1966 5.1968 5.1968 5.4218 5.4218 5.4219 5.4219 5.9187 5.9187 5.9188 5.9188 6.5283 6.5283 6.5283 6.5283 6.6316 6.6316 6.6316 6.6316 6.9324 6.9324 6.9324 6.9324 7.2860 7.2860 7.2861 7.2861 7.6606 7.6606 7.6606 7.6606 10.9631 10.9631 10.9631 10.9631 11.8593 11.8593 11.8593 11.8593 14.3519 14.3519 14.3519 14.3519 k =-0.3958 0.2413 0.2441 ( 3868 PWs) bands (ev): -4.7496 -4.7496 -4.7496 -4.7496 2.2064 2.2064 2.2064 2.2064 3.2067 3.2067 3.2068 3.2068 3.6003 3.6003 3.6004 3.6004 4.3159 4.3159 4.3162 4.3162 4.9397 4.9397 4.9399 4.9399 5.2027 5.2027 5.2029 5.2029 5.4212 5.4212 5.4213 5.4213 5.9421 5.9421 5.9422 5.9422 6.5239 6.5239 6.5239 6.5239 6.6243 6.6243 6.6243 6.6243 6.9165 6.9165 6.9165 6.9165 7.3022 7.3022 7.3023 7.3023 7.6350 7.6350 7.6350 7.6350 10.9068 10.9068 10.9068 10.9068 11.8430 11.8430 11.8430 11.8430 14.3264 14.3264 14.3264 14.3264 k =-0.4062 0.2477 0.2441 ( 3860 PWs) bands (ev): -4.7375 -4.7375 -4.7374 -4.7374 2.1921 2.1921 2.1921 2.1921 3.1955 3.1955 3.1957 3.1957 3.5985 3.5985 3.5987 3.5987 4.3148 4.3148 4.3150 4.3150 4.9557 4.9557 4.9559 4.9559 5.2082 5.2082 5.2084 5.2084 5.4200 5.4200 5.4202 5.4202 5.9638 5.9638 5.9639 5.9639 6.5189 6.5189 6.5189 6.5189 6.6174 6.6174 6.6174 6.6174 6.9024 6.9024 6.9024 6.9024 7.3188 7.3188 7.3188 7.3188 7.6119 7.6119 7.6120 7.6120 10.8533 10.8533 10.8533 10.8533 11.8282 11.8282 11.8282 11.8282 14.3010 14.3010 14.3011 14.3011 k =-0.4167 0.2540 0.2441 ( 3860 PWs) bands (ev): -4.7263 -4.7263 -4.7263 -4.7263 2.1790 2.1790 2.1791 2.1791 3.1854 3.1854 3.1855 3.1855 3.5969 3.5969 3.5970 3.5970 4.3137 4.3137 4.3140 4.3140 4.9710 4.9710 4.9712 4.9712 5.2130 5.2130 5.2132 5.2132 5.4185 5.4185 5.4186 5.4186 5.9836 5.9836 5.9837 5.9837 6.5132 6.5132 6.5132 6.5132 6.6111 6.6111 6.6112 6.6112 6.8903 6.8903 6.8904 6.8904 7.3350 7.3350 7.3350 7.3350 7.5914 7.5914 7.5914 7.5914 10.8034 10.8034 10.8034 10.8034 11.8148 11.8148 11.8148 11.8148 14.2767 14.2767 14.2767 14.2767 k =-0.4271 0.2604 0.2441 ( 3864 PWs) bands (ev): -4.7164 -4.7164 -4.7164 -4.7164 2.1673 2.1673 2.1674 2.1674 3.1763 3.1763 3.1765 3.1765 3.5954 3.5954 3.5956 3.5956 4.3127 4.3127 4.3130 4.3130 4.9854 4.9854 4.9856 4.9856 5.2172 5.2172 5.2173 5.2173 5.4165 5.4165 5.4167 5.4167 6.0012 6.0012 6.0013 6.0013 6.5073 6.5073 6.5073 6.5073 6.6057 6.6057 6.6057 6.6057 6.8801 6.8801 6.8801 6.8801 7.3502 7.3502 7.3503 7.3503 7.5736 7.5736 7.5736 7.5736 10.7576 10.7576 10.7576 10.7576 11.8029 11.8029 11.8029 11.8029 14.2540 14.2540 14.2541 14.2541 k =-0.4375 0.2667 0.2441 ( 3856 PWs) bands (ev): -4.7076 -4.7076 -4.7076 -4.7076 2.1571 2.1571 2.1571 2.1571 3.1684 3.1684 3.1685 3.1685 3.5941 3.5941 3.5943 3.5943 4.3118 4.3118 4.3121 4.3121 4.9987 4.9987 4.9989 4.9989 5.2207 5.2207 5.2208 5.2208 5.4144 5.4144 5.4146 5.4146 6.0167 6.0167 6.0168 6.0168 6.5014 6.5014 6.5014 6.5014 6.6012 6.6012 6.6012 6.6012 6.8716 6.8716 6.8717 6.8717 7.3640 7.3640 7.3640 7.3640 7.5586 7.5586 7.5587 7.5587 10.7165 10.7165 10.7165 10.7165 11.7925 11.7925 11.7926 11.7926 14.2336 14.2336 14.2337 14.2337 k =-0.4479 0.2731 0.2441 ( 3856 PWs) bands (ev): -4.7001 -4.7001 -4.7001 -4.7001 2.1482 2.1482 2.1483 2.1483 3.1616 3.1616 3.1617 3.1617 3.5930 3.5930 3.5932 3.5932 4.3110 4.3110 4.3113 4.3113 5.0106 5.0106 5.0109 5.0109 5.2235 5.2235 5.2236 5.2236 5.4123 5.4123 5.4124 5.4124 6.0300 6.0300 6.0301 6.0301 6.4957 6.4957 6.4957 6.4957 6.5975 6.5975 6.5976 6.5976 6.8648 6.8648 6.8648 6.8648 7.3758 7.3758 7.3758 7.3758 7.5465 7.5465 7.5466 7.5466 10.6807 10.6807 10.6807 10.6807 11.7837 11.7837 11.7837 11.7837 14.2159 14.2159 14.2159 14.2159 k =-0.4583 0.2794 0.2441 ( 3856 PWs) bands (ev): -4.6939 -4.6939 -4.6939 -4.6939 2.1410 2.1410 2.1410 2.1410 3.1559 3.1559 3.1561 3.1561 3.5920 3.5920 3.5922 3.5922 4.3103 4.3103 4.3106 4.3106 5.0210 5.0210 5.0212 5.0212 5.2256 5.2256 5.2258 5.2258 5.4103 5.4103 5.4104 5.4104 6.0408 6.0408 6.0409 6.0409 6.4906 6.4906 6.4906 6.4906 6.5947 6.5947 6.5947 6.5947 6.8594 6.8594 6.8594 6.8594 7.3853 7.3853 7.3853 7.3853 7.5373 7.5373 7.5373 7.5373 10.6507 10.6507 10.6507 10.6507 11.7765 11.7765 11.7765 11.7765 14.2010 14.2010 14.2010 14.2010 k =-0.4688 0.2858 0.2441 ( 3856 PWs) bands (ev): -4.6890 -4.6890 -4.6890 -4.6890 2.1353 2.1353 2.1353 2.1353 3.1515 3.1515 3.1517 3.1517 3.5913 3.5913 3.5915 3.5915 4.3098 4.3098 4.3101 4.3101 5.0294 5.0294 5.0296 5.0296 5.2272 5.2272 5.2273 5.2273 5.4085 5.4085 5.4087 5.4087 6.0493 6.0493 6.0494 6.0494 6.4863 6.4863 6.4863 6.4863 6.5926 6.5926 6.5926 6.5926 6.8553 6.8553 6.8554 6.8554 7.3924 7.3924 7.3925 7.3925 7.5307 7.5307 7.5308 7.5308 10.6268 10.6268 10.6268 10.6268 11.7708 11.7708 11.7708 11.7708 14.1892 14.1892 14.1892 14.1892 k =-0.4792 0.2921 0.2441 ( 3862 PWs) bands (ev): -4.6855 -4.6855 -4.6855 -4.6855 2.1312 2.1312 2.1312 2.1312 3.1483 3.1483 3.1485 3.1485 3.5908 3.5908 3.5910 3.5910 4.3094 4.3094 4.3097 4.3097 5.0355 5.0355 5.0358 5.0358 5.2282 5.2282 5.2284 5.2284 5.4072 5.4072 5.4074 5.4074 6.0554 6.0554 6.0555 6.0555 6.4830 6.4830 6.4831 6.4831 6.5911 6.5911 6.5911 6.5911 6.8525 6.8525 6.8525 6.8525 7.3973 7.3973 7.3973 7.3973 7.5265 7.5265 7.5265 7.5265 10.6095 10.6095 10.6095 10.6095 11.7668 11.7668 11.7668 11.7668 14.1807 14.1807 14.1807 14.1807 k =-0.4896 0.2985 0.2441 ( 3856 PWs) bands (ev): -4.6834 -4.6834 -4.6834 -4.6834 2.1287 2.1287 2.1288 2.1288 3.1464 3.1464 3.1465 3.1465 3.5905 3.5905 3.5907 3.5907 4.3091 4.3091 4.3094 4.3094 5.0394 5.0394 5.0397 5.0397 5.2289 5.2289 5.2290 5.2290 5.4064 5.4064 5.4065 5.4065 6.0590 6.0590 6.0591 6.0591 6.4811 6.4811 6.4811 6.4811 6.5903 6.5903 6.5903 6.5903 6.8508 6.8508 6.8509 6.8509 7.4000 7.4000 7.4001 7.4001 7.5241 7.5241 7.5242 7.5242 10.5990 10.5990 10.5990 10.5990 11.7643 11.7643 11.7644 11.7644 14.1756 14.1756 14.1756 14.1756 k =-0.5000 0.3048 0.2441 ( 3852 PWs) bands (ev): -4.6827 -4.6827 -4.6827 -4.6827 2.1279 2.1279 2.1280 2.1280 3.1458 3.1458 3.1459 3.1459 3.5904 3.5904 3.5906 3.5906 4.3091 4.3091 4.3093 4.3093 5.0407 5.0407 5.0410 5.0410 5.2291 5.2291 5.2292 5.2292 5.4061 5.4061 5.4062 5.4062 6.0602 6.0602 6.0603 6.0603 6.4804 6.4804 6.4804 6.4804 6.5900 6.5900 6.5901 6.5901 6.8503 6.8503 6.8504 6.8504 7.4009 7.4009 7.4010 7.4010 7.5234 7.5234 7.5235 7.5235 10.5955 10.5955 10.5955 10.5955 11.7635 11.7635 11.7635 11.7635 14.1739 14.1739 14.1739 14.1739 Writing output data file CuAgS.save init_run : 0.34s CPU 0.53s WALL ( 1 calls) electrons : 191.61s CPU 194.99s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 191.59s CPU 194.97s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.10s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.11s WALL ( 402 calls) cegterg : 174.03s CPU 176.59s WALL ( 429 calls) Called by sum_band: Called by *egterg: h_psi : 80.59s CPU 82.60s WALL ( 7629 calls) s_psi : 10.78s CPU 10.64s WALL ( 7629 calls) g_psi : 0.23s CPU 0.30s WALL ( 6798 calls) cdiaghg : 71.52s CPU 72.75s WALL ( 7200 calls) cegterg:over : 9.51s CPU 9.32s WALL ( 6798 calls) cegterg:upda : 7.52s CPU 7.32s WALL ( 6798 calls) cegterg:last : 4.35s CPU 4.35s WALL ( 1233 calls) cdiaghg:chol : 3.98s CPU 4.20s WALL ( 7200 calls) cdiaghg:inve : 2.96s CPU 2.99s WALL ( 7200 calls) cdiaghg:para : 4.79s CPU 4.89s WALL ( 14400 calls) Called by h_psi: h_psi:vloc : 58.24s CPU 59.80s WALL ( 7629 calls) h_psi:vnl : 22.03s CPU 22.50s WALL ( 7629 calls) add_vuspsi : 12.21s CPU 12.58s WALL ( 7629 calls) General routines calbec : 9.80s CPU 9.90s WALL ( 7629 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 53.65s CPU 55.06s WALL ( 1096744 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.22s CPU 0.30s WALL ( 804 calls) Parallel routines fft_scatter : 27.44s CPU 28.05s WALL ( 1096767 calls) PWSCF : 3m35.65s CPU 3m54.40s WALL This run was terminated on: 18:23:42 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=