Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 16:53: 4 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CuO2.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: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 23 13 4 1941 848 134 Max 24 14 5 1956 874 146 Sum 1683 993 297 140135 62099 10151 bravais-lattice index = 14 lattice parameter (alat) = 12.9035 a.u. unit-cell volume = 1424.2711 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 46.00 number of Kohn-Sham states= 56 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.903460 celldm(2)= 1.000000 celldm(3)= 1.679970 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.918847 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.918847 0.394614 0.000000 ) a(3) = ( 0.000000 0.000000 1.679970 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 2.328469 -0.000000 ) b(2) = ( 0.000000 2.534121 -0.000000 ) b(3) = ( 0.000000 0.000000 0.595249 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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 atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Cu 11.00 63.54600 Cu( 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= 370 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 2) = ( 0.0043429 0.0211177 -0.0000000), wk = 0.0027027 k( 3) = ( 0.0086858 0.0422353 -0.0000000), wk = 0.0027027 k( 4) = ( 0.0130287 0.0633530 -0.0000000), wk = 0.0027027 k( 5) = ( 0.0173715 0.0844707 -0.0000000), wk = 0.0027027 k( 6) = ( 0.0217144 0.1055884 -0.0000000), wk = 0.0027027 k( 7) = ( 0.0260573 0.1267061 -0.0000000), wk = 0.0027027 k( 8) = ( 0.0304002 0.1478237 -0.0000000), wk = 0.0027027 k( 9) = ( 0.0347431 0.1689414 -0.0000000), wk = 0.0027027 k( 10) = ( 0.0390860 0.1900591 -0.0000000), wk = 0.0027027 k( 11) = ( 0.0434289 0.2111768 -0.0000000), wk = 0.0027027 k( 12) = ( 0.0477718 0.2322945 -0.0000000), wk = 0.0027027 k( 13) = ( 0.0521146 0.2534121 -0.0000000), wk = 0.0027027 k( 14) = ( 0.0564575 0.2745298 -0.0000000), wk = 0.0027027 k( 15) = ( 0.0608004 0.2956474 -0.0000000), wk = 0.0027027 k( 16) = ( 0.0651433 0.3167651 -0.0000000), wk = 0.0027027 k( 17) = ( 0.0694862 0.3378828 -0.0000000), wk = 0.0027027 k( 18) = ( 0.0738291 0.3590005 -0.0000000), wk = 0.0027027 k( 19) = ( 0.0781720 0.3801182 -0.0000000), wk = 0.0027027 k( 20) = ( 0.0825148 0.4012358 -0.0000000), wk = 0.0027027 k( 21) = ( 0.0868577 0.4223535 -0.0000000), wk = 0.0027027 k( 22) = ( 0.0912006 0.4434712 -0.0000000), wk = 0.0027027 k( 23) = ( 0.0955435 0.4645889 -0.0000000), wk = 0.0027027 k( 24) = ( 0.0998864 0.4857066 -0.0000000), wk = 0.0027027 k( 25) = ( 0.1042293 0.5068242 -0.0000000), wk = 0.0027027 k( 26) = ( 0.1085722 0.5279419 -0.0000000), wk = 0.0027027 k( 27) = ( 0.1129150 0.5490595 -0.0000000), wk = 0.0027027 k( 28) = ( 0.1172579 0.5701772 -0.0000000), wk = 0.0027027 k( 29) = ( 0.1216008 0.5912949 -0.0000000), wk = 0.0027027 k( 30) = ( 0.1259437 0.6124126 -0.0000000), wk = 0.0027027 k( 31) = ( 0.1302866 0.6335303 -0.0000000), wk = 0.0027027 k( 32) = ( 0.1346295 0.6546479 -0.0000000), wk = 0.0027027 k( 33) = ( 0.1389723 0.6757656 -0.0000000), wk = 0.0027027 k( 34) = ( 0.1433152 0.6968833 -0.0000000), wk = 0.0027027 k( 35) = ( 0.1476581 0.7180010 -0.0000000), wk = 0.0027027 k( 36) = ( 0.1520010 0.7391187 -0.0000000), wk = 0.0027027 k( 37) = ( 0.1563439 0.7602363 -0.0000000), wk = 0.0027027 k( 38) = ( 0.1606868 0.7813540 -0.0000000), wk = 0.0027027 k( 39) = ( 0.1650297 0.8024717 -0.0000000), wk = 0.0027027 k( 40) = ( 0.1693726 0.8235893 -0.0000000), wk = 0.0027027 k( 41) = ( 0.1737154 0.8447070 -0.0000000), wk = 0.0027027 k( 42) = ( 0.1780583 0.8658247 -0.0000000), wk = 0.0027027 k( 43) = ( 0.1824012 0.8869424 -0.0000000), wk = 0.0027027 k( 44) = ( 0.1867441 0.9080600 -0.0000000), wk = 0.0027027 k( 45) = ( 0.1910870 0.9291777 -0.0000000), wk = 0.0027027 k( 46) = ( 0.1954299 0.9502954 -0.0000000), wk = 0.0027027 k( 47) = ( 0.1997727 0.9714131 -0.0000000), wk = 0.0027027 k( 48) = ( 0.2041156 0.9925308 -0.0000000), wk = 0.0027027 k( 49) = ( 0.2084585 1.0136484 -0.0000000), wk = 0.0027027 k( 50) = ( 0.2128014 1.0347661 -0.0000000), wk = 0.0027027 k( 51) = ( 0.2171443 1.0558838 -0.0000000), wk = 0.0027027 k( 52) = ( 0.2214872 1.0770014 -0.0000000), wk = 0.0027027 k( 53) = ( 0.2258301 1.0981191 -0.0000000), wk = 0.0027027 k( 54) = ( 0.2301729 1.1192368 -0.0000000), wk = 0.0027027 k( 55) = ( 0.2345158 1.1403545 -0.0000000), wk = 0.0027027 k( 56) = ( 0.2388587 1.1614722 -0.0000000), wk = 0.0027027 k( 57) = ( 0.2432016 1.1825898 -0.0000000), wk = 0.0027027 k( 58) = ( 0.2475445 1.2037075 -0.0000000), wk = 0.0027027 k( 59) = ( 0.2518874 1.2248252 -0.0000000), wk = 0.0027027 k( 60) = ( 0.2562303 1.2459429 -0.0000000), wk = 0.0027027 k( 61) = ( 0.2605732 1.2670606 -0.0000000), wk = 0.0027027 k( 62) = ( 0.2605732 1.2670606 -0.0000000), wk = 0.0027027 k( 63) = ( 0.2388587 1.2670605 -0.0000000), wk = 0.0027027 k( 64) = ( 0.2171443 1.2670605 -0.0000000), wk = 0.0027027 k( 65) = ( 0.1954299 1.2670605 -0.0000000), wk = 0.0027027 k( 66) = ( 0.1737154 1.2670605 -0.0000000), wk = 0.0027027 k( 67) = ( 0.1520010 1.2670605 -0.0000000), wk = 0.0027027 k( 68) = ( 0.1302866 1.2670605 -0.0000000), wk = 0.0027027 k( 69) = ( 0.1085722 1.2670605 -0.0000000), wk = 0.0027027 k( 70) = ( 0.0868577 1.2670605 -0.0000000), wk = 0.0027027 k( 71) = ( 0.0651433 1.2670605 -0.0000000), wk = 0.0027027 k( 72) = ( 0.0434289 1.2670605 -0.0000000), wk = 0.0027027 k( 73) = ( 0.0217144 1.2670605 -0.0000000), wk = 0.0027027 k( 74) = ( 0.0000000 1.2670605 -0.0000000), wk = 0.0027027 k( 75) = ( 0.0000000 1.2670605 -0.0000000), wk = 0.0027027 k( 76) = ( 0.0000000 1.2670605 0.0212589), wk = 0.0027027 k( 77) = ( 0.0000000 1.2670605 0.0425178), wk = 0.0027027 k( 78) = ( 0.0000000 1.2670605 0.0637767), wk = 0.0027027 k( 79) = ( 0.0000000 1.2670605 0.0850355), wk = 0.0027027 k( 80) = ( 0.0000000 1.2670605 0.1062944), wk = 0.0027027 k( 81) = ( 0.0000000 1.2670605 0.1275533), wk = 0.0027027 k( 82) = ( 0.0000000 1.2670605 0.1488122), wk = 0.0027027 k( 83) = ( 0.0000000 1.2670605 0.1700711), wk = 0.0027027 k( 84) = ( 0.0000000 1.2670605 0.1913299), wk = 0.0027027 k( 85) = ( 0.0000000 1.2670605 0.2125888), wk = 0.0027027 k( 86) = ( 0.0000000 1.2670605 0.2338477), wk = 0.0027027 k( 87) = ( 0.0000000 1.2670605 0.2551066), wk = 0.0027027 k( 88) = ( 0.0000000 1.2670605 0.2763655), wk = 0.0027027 k( 89) = ( 0.0000000 1.2670605 0.2976244), wk = 0.0027027 k( 90) = ( 0.0000000 1.2670605 0.2976244), wk = 0.0027027 k( 91) = ( 0.0217144 1.2670605 0.2976244), wk = 0.0027027 k( 92) = ( 0.0434289 1.2670605 0.2976244), wk = 0.0027027 k( 93) = ( 0.0651433 1.2670605 0.2976244), wk = 0.0027027 k( 94) = ( 0.0868577 1.2670605 0.2976244), wk = 0.0027027 k( 95) = ( 0.1085722 1.2670605 0.2976244), wk = 0.0027027 k( 96) = ( 0.1302866 1.2670605 0.2976244), wk = 0.0027027 k( 97) = ( 0.1520010 1.2670605 0.2976244), wk = 0.0027027 k( 98) = ( 0.1737154 1.2670605 0.2976244), wk = 0.0027027 k( 99) = ( 0.1954299 1.2670605 0.2976244), wk = 0.0027027 k( 100) = ( 0.2171443 1.2670605 0.2976244), wk = 0.0027027 k( 101) = ( 0.2388587 1.2670605 0.2976244), wk = 0.0027027 k( 102) = ( 0.2605732 1.2670606 0.2976244), wk = 0.0027027 k( 103) = ( 0.2605732 1.2670606 0.2976244), wk = 0.0027027 k( 104) = ( 0.2562303 1.2459429 0.2976244), wk = 0.0027027 k( 105) = ( 0.2518874 1.2248252 0.2976244), wk = 0.0027027 k( 106) = ( 0.2475445 1.2037075 0.2976244), wk = 0.0027027 k( 107) = ( 0.2432016 1.1825898 0.2976244), wk = 0.0027027 k( 108) = ( 0.2388587 1.1614722 0.2976244), wk = 0.0027027 k( 109) = ( 0.2345158 1.1403545 0.2976244), wk = 0.0027027 k( 110) = ( 0.2301729 1.1192368 0.2976244), wk = 0.0027027 k( 111) = ( 0.2258301 1.0981191 0.2976244), wk = 0.0027027 k( 112) = ( 0.2214872 1.0770014 0.2976244), wk = 0.0027027 k( 113) = ( 0.2171443 1.0558838 0.2976244), wk = 0.0027027 k( 114) = ( 0.2128014 1.0347661 0.2976244), wk = 0.0027027 k( 115) = ( 0.2084585 1.0136484 0.2976244), wk = 0.0027027 k( 116) = ( 0.2041156 0.9925308 0.2976244), wk = 0.0027027 k( 117) = ( 0.1997727 0.9714131 0.2976244), wk = 0.0027027 k( 118) = ( 0.1954299 0.9502954 0.2976244), wk = 0.0027027 k( 119) = ( 0.1910870 0.9291777 0.2976244), wk = 0.0027027 k( 120) = ( 0.1867441 0.9080600 0.2976244), wk = 0.0027027 k( 121) = ( 0.1824012 0.8869424 0.2976244), wk = 0.0027027 k( 122) = ( 0.1780583 0.8658247 0.2976244), wk = 0.0027027 k( 123) = ( 0.1737154 0.8447070 0.2976244), wk = 0.0027027 k( 124) = ( 0.1693726 0.8235893 0.2976244), wk = 0.0027027 k( 125) = ( 0.1650297 0.8024717 0.2976244), wk = 0.0027027 k( 126) = ( 0.1606868 0.7813540 0.2976244), wk = 0.0027027 k( 127) = ( 0.1563439 0.7602363 0.2976244), wk = 0.0027027 k( 128) = ( 0.1520010 0.7391187 0.2976244), wk = 0.0027027 k( 129) = ( 0.1476581 0.7180010 0.2976244), wk = 0.0027027 k( 130) = ( 0.1433152 0.6968833 0.2976244), wk = 0.0027027 k( 131) = ( 0.1389723 0.6757656 0.2976244), wk = 0.0027027 k( 132) = ( 0.1346295 0.6546479 0.2976244), wk = 0.0027027 k( 133) = ( 0.1302866 0.6335303 0.2976244), wk = 0.0027027 k( 134) = ( 0.1259437 0.6124126 0.2976244), wk = 0.0027027 k( 135) = ( 0.1216008 0.5912949 0.2976244), wk = 0.0027027 k( 136) = ( 0.1172579 0.5701772 0.2976244), wk = 0.0027027 k( 137) = ( 0.1129150 0.5490595 0.2976244), wk = 0.0027027 k( 138) = ( 0.1085722 0.5279419 0.2976244), wk = 0.0027027 k( 139) = ( 0.1042293 0.5068242 0.2976244), wk = 0.0027027 k( 140) = ( 0.0998864 0.4857066 0.2976244), wk = 0.0027027 k( 141) = ( 0.0955435 0.4645889 0.2976244), wk = 0.0027027 k( 142) = ( 0.0912006 0.4434712 0.2976244), wk = 0.0027027 k( 143) = ( 0.0868577 0.4223535 0.2976244), wk = 0.0027027 k( 144) = ( 0.0825148 0.4012358 0.2976244), wk = 0.0027027 k( 145) = ( 0.0781720 0.3801182 0.2976244), wk = 0.0027027 k( 146) = ( 0.0738291 0.3590005 0.2976244), wk = 0.0027027 k( 147) = ( 0.0694862 0.3378828 0.2976244), wk = 0.0027027 k( 148) = ( 0.0651433 0.3167651 0.2976244), wk = 0.0027027 k( 149) = ( 0.0608004 0.2956474 0.2976244), wk = 0.0027027 k( 150) = ( 0.0564575 0.2745298 0.2976244), wk = 0.0027027 k( 151) = ( 0.0521146 0.2534121 0.2976244), wk = 0.0027027 k( 152) = ( 0.0477718 0.2322945 0.2976244), wk = 0.0027027 k( 153) = ( 0.0434289 0.2111768 0.2976244), wk = 0.0027027 k( 154) = ( 0.0390860 0.1900591 0.2976244), wk = 0.0027027 k( 155) = ( 0.0347431 0.1689414 0.2976244), wk = 0.0027027 k( 156) = ( 0.0304002 0.1478237 0.2976244), wk = 0.0027027 k( 157) = ( 0.0260573 0.1267061 0.2976244), wk = 0.0027027 k( 158) = ( 0.0217144 0.1055884 0.2976244), wk = 0.0027027 k( 159) = ( 0.0173715 0.0844707 0.2976244), wk = 0.0027027 k( 160) = ( 0.0130287 0.0633530 0.2976244), wk = 0.0027027 k( 161) = ( 0.0086858 0.0422353 0.2976244), wk = 0.0027027 k( 162) = ( 0.0043429 0.0211177 0.2976244), wk = 0.0027027 k( 163) = ( 0.0000000 0.0000000 0.2976244), wk = 0.0027027 k( 164) = ( 0.0000000 0.0000000 0.2976244), wk = 0.0027027 k( 165) = ( 0.0000000 0.0000000 0.2763655), wk = 0.0027027 k( 166) = ( 0.0000000 0.0000000 0.2551066), wk = 0.0027027 k( 167) = ( 0.0000000 0.0000000 0.2338477), wk = 0.0027027 k( 168) = ( 0.0000000 0.0000000 0.2125888), wk = 0.0027027 k( 169) = ( 0.0000000 0.0000000 0.1913299), wk = 0.0027027 k( 170) = ( 0.0000000 0.0000000 0.1700711), wk = 0.0027027 k( 171) = ( 0.0000000 0.0000000 0.1488122), wk = 0.0027027 k( 172) = ( 0.0000000 0.0000000 0.1275533), wk = 0.0027027 k( 173) = ( 0.0000000 0.0000000 0.1062944), wk = 0.0027027 k( 174) = ( 0.0000000 0.0000000 0.0850355), wk = 0.0027027 k( 175) = ( 0.0000000 0.0000000 0.0637767), wk = 0.0027027 k( 176) = ( 0.0000000 0.0000000 0.0425178), wk = 0.0027027 k( 177) = ( 0.0000000 0.0000000 0.0212589), wk = 0.0027027 k( 178) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 179) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 180) = ( -0.0208333 0.0042844 0.0000000), wk = 0.0027027 k( 181) = ( -0.0416667 0.0085688 0.0000000), wk = 0.0027027 k( 182) = ( -0.0625000 0.0128532 0.0000000), wk = 0.0027027 k( 183) = ( -0.0833333 0.0171376 0.0000000), wk = 0.0027027 k( 184) = ( -0.1041667 0.0214221 0.0000000), wk = 0.0027027 k( 185) = ( -0.1250000 0.0257065 0.0000000), wk = 0.0027027 k( 186) = ( -0.1458333 0.0299909 0.0000000), wk = 0.0027027 k( 187) = ( -0.1666667 0.0342753 0.0000000), wk = 0.0027027 k( 188) = ( -0.1875000 0.0385597 0.0000000), wk = 0.0027027 k( 189) = ( -0.2083333 0.0428441 0.0000000), wk = 0.0027027 k( 190) = ( -0.2291667 0.0471285 0.0000000), wk = 0.0027027 k( 191) = ( -0.2500000 0.0514129 0.0000000), wk = 0.0027027 k( 192) = ( -0.2708333 0.0556973 0.0000000), wk = 0.0027027 k( 193) = ( -0.2916667 0.0599817 0.0000000), wk = 0.0027027 k( 194) = ( -0.3125000 0.0642662 0.0000000), wk = 0.0027027 k( 195) = ( -0.3333333 0.0685506 0.0000000), wk = 0.0027027 k( 196) = ( -0.3541667 0.0728350 0.0000000), wk = 0.0027027 k( 197) = ( -0.3750000 0.0771194 0.0000000), wk = 0.0027027 k( 198) = ( -0.3958333 0.0814038 0.0000000), wk = 0.0027027 k( 199) = ( -0.4166667 0.0856882 0.0000000), wk = 0.0027027 k( 200) = ( -0.4375000 0.0899726 0.0000000), wk = 0.0027027 k( 201) = ( -0.4583333 0.0942570 0.0000000), wk = 0.0027027 k( 202) = ( -0.4791667 0.0985414 0.0000000), wk = 0.0027027 k( 203) = ( -0.5000000 0.1028259 0.0000000), wk = 0.0027027 k( 204) = ( -0.5000000 0.1028259 0.0000000), wk = 0.0027027 k( 205) = ( -0.4956468 0.1239938 -0.0000000), wk = 0.0027027 k( 206) = ( -0.4912936 0.1451617 -0.0000000), wk = 0.0027027 k( 207) = ( -0.4869404 0.1663296 -0.0000000), wk = 0.0027027 k( 208) = ( -0.4825871 0.1874975 -0.0000000), wk = 0.0027027 k( 209) = ( -0.4782339 0.2086654 -0.0000000), wk = 0.0027027 k( 210) = ( -0.4738807 0.2298333 -0.0000000), wk = 0.0027027 k( 211) = ( -0.4695275 0.2510012 -0.0000000), wk = 0.0027027 k( 212) = ( -0.4651743 0.2721691 -0.0000000), wk = 0.0027027 k( 213) = ( -0.4608211 0.2933370 -0.0000000), wk = 0.0027027 k( 214) = ( -0.4564679 0.3145049 -0.0000000), wk = 0.0027027 k( 215) = ( -0.4521146 0.3356728 -0.0000000), wk = 0.0027027 k( 216) = ( -0.4477614 0.3568407 -0.0000000), wk = 0.0027027 k( 217) = ( -0.4434082 0.3780086 -0.0000000), wk = 0.0027027 k( 218) = ( -0.4390550 0.3991765 -0.0000000), wk = 0.0027027 k( 219) = ( -0.4347018 0.4203444 -0.0000000), wk = 0.0027027 k( 220) = ( -0.4303485 0.4415123 -0.0000000), wk = 0.0027027 k( 221) = ( -0.4259953 0.4626802 -0.0000000), wk = 0.0027027 k( 222) = ( -0.4216421 0.4838481 -0.0000000), wk = 0.0027027 k( 223) = ( -0.4172889 0.5050160 -0.0000000), wk = 0.0027027 k( 224) = ( -0.4129357 0.5261839 -0.0000000), wk = 0.0027027 k( 225) = ( -0.4085825 0.5473518 -0.0000000), wk = 0.0027027 k( 226) = ( -0.4042293 0.5685197 -0.0000000), wk = 0.0027027 k( 227) = ( -0.3998760 0.5896876 -0.0000000), wk = 0.0027027 k( 228) = ( -0.3955228 0.6108555 -0.0000000), wk = 0.0027027 k( 229) = ( -0.3911696 0.6320234 -0.0000000), wk = 0.0027027 k( 230) = ( -0.3868164 0.6531913 -0.0000000), wk = 0.0027027 k( 231) = ( -0.3824632 0.6743592 -0.0000000), wk = 0.0027027 k( 232) = ( -0.3781100 0.6955271 -0.0000000), wk = 0.0027027 k( 233) = ( -0.3737568 0.7166951 -0.0000000), wk = 0.0027027 k( 234) = ( -0.3694035 0.7378629 -0.0000000), wk = 0.0027027 k( 235) = ( -0.3650503 0.7590309 -0.0000000), wk = 0.0027027 k( 236) = ( -0.3606971 0.7801988 -0.0000000), wk = 0.0027027 k( 237) = ( -0.3563439 0.8013667 -0.0000000), wk = 0.0027027 k( 238) = ( -0.3519907 0.8225346 -0.0000000), wk = 0.0027027 k( 239) = ( -0.3476375 0.8437025 -0.0000000), wk = 0.0027027 k( 240) = ( -0.3432843 0.8648704 -0.0000000), wk = 0.0027027 k( 241) = ( -0.3389310 0.8860383 -0.0000000), wk = 0.0027027 k( 242) = ( -0.3345778 0.9072062 -0.0000000), wk = 0.0027027 k( 243) = ( -0.3302246 0.9283741 -0.0000000), wk = 0.0027027 k( 244) = ( -0.3258714 0.9495420 -0.0000000), wk = 0.0027027 k( 245) = ( -0.3215182 0.9707099 -0.0000000), wk = 0.0027027 k( 246) = ( -0.3171650 0.9918778 -0.0000000), wk = 0.0027027 k( 247) = ( -0.3128117 1.0130457 -0.0000000), wk = 0.0027027 k( 248) = ( -0.3084585 1.0342136 -0.0000000), wk = 0.0027027 k( 249) = ( -0.3041053 1.0553815 -0.0000000), wk = 0.0027027 k( 250) = ( -0.2997521 1.0765494 -0.0000000), wk = 0.0027027 k( 251) = ( -0.2953989 1.0977173 -0.0000000), wk = 0.0027027 k( 252) = ( -0.2910457 1.1188852 -0.0000000), wk = 0.0027027 k( 253) = ( -0.2866924 1.1400531 -0.0000000), wk = 0.0027027 k( 254) = ( -0.2823392 1.1612210 -0.0000000), wk = 0.0027027 k( 255) = ( -0.2779860 1.1823889 -0.0000000), wk = 0.0027027 k( 256) = ( -0.2736328 1.2035568 -0.0000000), wk = 0.0027027 k( 257) = ( -0.2692796 1.2247247 -0.0000000), wk = 0.0027027 k( 258) = ( -0.2649264 1.2458926 -0.0000000), wk = 0.0027027 k( 259) = ( -0.2605732 1.2670605 -0.0000000), wk = 0.0027027 k( 260) = ( -0.2605732 1.2670605 -0.0000000), wk = 0.0027027 k( 261) = ( -0.2605732 1.2670605 0.0212589), wk = 0.0027027 k( 262) = ( -0.2605732 1.2670605 0.0425178), wk = 0.0027027 k( 263) = ( -0.2605732 1.2670605 0.0637767), wk = 0.0027027 k( 264) = ( -0.2605732 1.2670605 0.0850355), wk = 0.0027027 k( 265) = ( -0.2605732 1.2670605 0.1062944), wk = 0.0027027 k( 266) = ( -0.2605732 1.2670605 0.1275533), wk = 0.0027027 k( 267) = ( -0.2605732 1.2670605 0.1488122), wk = 0.0027027 k( 268) = ( -0.2605732 1.2670605 0.1700711), wk = 0.0027027 k( 269) = ( -0.2605732 1.2670605 0.1913299), wk = 0.0027027 k( 270) = ( -0.2605732 1.2670605 0.2125888), wk = 0.0027027 k( 271) = ( -0.2605732 1.2670605 0.2338477), wk = 0.0027027 k( 272) = ( -0.2605732 1.2670605 0.2551066), wk = 0.0027027 k( 273) = ( -0.2605732 1.2670605 0.2763655), wk = 0.0027027 k( 274) = ( -0.2605732 1.2670605 0.2976244), wk = 0.0027027 k( 275) = ( -0.2605732 1.2670605 0.2976244), wk = 0.0027027 k( 276) = ( -0.2649264 1.2458926 0.2976244), wk = 0.0027027 k( 277) = ( -0.2692796 1.2247247 0.2976244), wk = 0.0027027 k( 278) = ( -0.2736328 1.2035568 0.2976244), wk = 0.0027027 k( 279) = ( -0.2779860 1.1823889 0.2976244), wk = 0.0027027 k( 280) = ( -0.2823392 1.1612210 0.2976244), wk = 0.0027027 k( 281) = ( -0.2866924 1.1400531 0.2976244), wk = 0.0027027 k( 282) = ( -0.2910457 1.1188852 0.2976244), wk = 0.0027027 k( 283) = ( -0.2953989 1.0977173 0.2976244), wk = 0.0027027 k( 284) = ( -0.2997521 1.0765494 0.2976244), wk = 0.0027027 k( 285) = ( -0.3041053 1.0553815 0.2976244), wk = 0.0027027 k( 286) = ( -0.3084585 1.0342136 0.2976244), wk = 0.0027027 k( 287) = ( -0.3128117 1.0130457 0.2976244), wk = 0.0027027 k( 288) = ( -0.3171650 0.9918778 0.2976244), wk = 0.0027027 k( 289) = ( -0.3215182 0.9707099 0.2976244), wk = 0.0027027 k( 290) = ( -0.3258714 0.9495420 0.2976244), wk = 0.0027027 k( 291) = ( -0.3302246 0.9283741 0.2976244), wk = 0.0027027 k( 292) = ( -0.3345778 0.9072062 0.2976244), wk = 0.0027027 k( 293) = ( -0.3389310 0.8860383 0.2976244), wk = 0.0027027 k( 294) = ( -0.3432843 0.8648704 0.2976244), wk = 0.0027027 k( 295) = ( -0.3476375 0.8437025 0.2976244), wk = 0.0027027 k( 296) = ( -0.3519907 0.8225346 0.2976244), wk = 0.0027027 k( 297) = ( -0.3563439 0.8013667 0.2976244), wk = 0.0027027 k( 298) = ( -0.3606971 0.7801988 0.2976244), wk = 0.0027027 k( 299) = ( -0.3650503 0.7590309 0.2976244), wk = 0.0027027 k( 300) = ( -0.3694035 0.7378629 0.2976244), wk = 0.0027027 k( 301) = ( -0.3737568 0.7166951 0.2976244), wk = 0.0027027 k( 302) = ( -0.3781100 0.6955271 0.2976244), wk = 0.0027027 k( 303) = ( -0.3824632 0.6743592 0.2976244), wk = 0.0027027 k( 304) = ( -0.3868164 0.6531913 0.2976244), wk = 0.0027027 k( 305) = ( -0.3911696 0.6320234 0.2976244), wk = 0.0027027 k( 306) = ( -0.3955228 0.6108555 0.2976244), wk = 0.0027027 k( 307) = ( -0.3998760 0.5896876 0.2976244), wk = 0.0027027 k( 308) = ( -0.4042293 0.5685197 0.2976244), wk = 0.0027027 k( 309) = ( -0.4085825 0.5473518 0.2976244), wk = 0.0027027 k( 310) = ( -0.4129357 0.5261839 0.2976244), wk = 0.0027027 k( 311) = ( -0.4172889 0.5050160 0.2976244), wk = 0.0027027 k( 312) = ( -0.4216421 0.4838481 0.2976244), wk = 0.0027027 k( 313) = ( -0.4259953 0.4626802 0.2976244), wk = 0.0027027 k( 314) = ( -0.4303485 0.4415123 0.2976244), wk = 0.0027027 k( 315) = ( -0.4347018 0.4203444 0.2976244), wk = 0.0027027 k( 316) = ( -0.4390550 0.3991765 0.2976244), wk = 0.0027027 k( 317) = ( -0.4434082 0.3780086 0.2976244), wk = 0.0027027 k( 318) = ( -0.4477614 0.3568407 0.2976244), wk = 0.0027027 k( 319) = ( -0.4521146 0.3356728 0.2976244), wk = 0.0027027 k( 320) = ( -0.4564679 0.3145049 0.2976244), wk = 0.0027027 k( 321) = ( -0.4608211 0.2933370 0.2976244), wk = 0.0027027 k( 322) = ( -0.4651743 0.2721691 0.2976244), wk = 0.0027027 k( 323) = ( -0.4695275 0.2510012 0.2976244), wk = 0.0027027 k( 324) = ( -0.4738807 0.2298333 0.2976244), wk = 0.0027027 k( 325) = ( -0.4782339 0.2086654 0.2976244), wk = 0.0027027 k( 326) = ( -0.4825871 0.1874975 0.2976244), wk = 0.0027027 k( 327) = ( -0.4869404 0.1663296 0.2976244), wk = 0.0027027 k( 328) = ( -0.4912936 0.1451617 0.2976244), wk = 0.0027027 k( 329) = ( -0.4956468 0.1239938 0.2976244), wk = 0.0027027 k( 330) = ( -0.5000000 0.1028259 0.2976244), wk = 0.0027027 k( 331) = ( -0.5000000 0.1028259 0.2976244), wk = 0.0027027 k( 332) = ( -0.5000000 0.1028259 0.2763655), wk = 0.0027027 k( 333) = ( -0.5000000 0.1028259 0.2551066), wk = 0.0027027 k( 334) = ( -0.5000000 0.1028259 0.2338477), wk = 0.0027027 k( 335) = ( -0.5000000 0.1028259 0.2125888), wk = 0.0027027 k( 336) = ( -0.5000000 0.1028259 0.1913299), wk = 0.0027027 k( 337) = ( -0.5000000 0.1028259 0.1700711), wk = 0.0027027 k( 338) = ( -0.5000000 0.1028259 0.1488122), wk = 0.0027027 k( 339) = ( -0.5000000 0.1028259 0.1275533), wk = 0.0027027 k( 340) = ( -0.5000000 0.1028259 0.1062944), wk = 0.0027027 k( 341) = ( -0.5000000 0.1028259 0.0850355), wk = 0.0027027 k( 342) = ( -0.5000000 0.1028259 0.0637767), wk = 0.0027027 k( 343) = ( -0.5000000 0.1028259 0.0425178), wk = 0.0027027 k( 344) = ( -0.5000000 0.1028259 0.0212589), wk = 0.0027027 k( 345) = ( -0.5000000 0.1028259 0.0000000), wk = 0.0027027 k( 346) = ( 0.0000000 0.0000000 0.2976244), wk = 0.0027027 k( 347) = ( -0.0208333 0.0042844 0.2976244), wk = 0.0027027 k( 348) = ( -0.0416667 0.0085688 0.2976244), wk = 0.0027027 k( 349) = ( -0.0625000 0.0128532 0.2976244), wk = 0.0027027 k( 350) = ( -0.0833333 0.0171376 0.2976244), wk = 0.0027027 k( 351) = ( -0.1041667 0.0214221 0.2976244), wk = 0.0027027 k( 352) = ( -0.1250000 0.0257065 0.2976244), wk = 0.0027027 k( 353) = ( -0.1458333 0.0299909 0.2976244), wk = 0.0027027 k( 354) = ( -0.1666667 0.0342753 0.2976244), wk = 0.0027027 k( 355) = ( -0.1875000 0.0385597 0.2976244), wk = 0.0027027 k( 356) = ( -0.2083333 0.0428441 0.2976244), wk = 0.0027027 k( 357) = ( -0.2291667 0.0471285 0.2976244), wk = 0.0027027 k( 358) = ( -0.2500000 0.0514129 0.2976244), wk = 0.0027027 k( 359) = ( -0.2708333 0.0556973 0.2976244), wk = 0.0027027 k( 360) = ( -0.2916667 0.0599817 0.2976244), wk = 0.0027027 k( 361) = ( -0.3125000 0.0642662 0.2976244), wk = 0.0027027 k( 362) = ( -0.3333333 0.0685506 0.2976244), wk = 0.0027027 k( 363) = ( -0.3541667 0.0728350 0.2976244), wk = 0.0027027 k( 364) = ( -0.3750000 0.0771194 0.2976244), wk = 0.0027027 k( 365) = ( -0.3958333 0.0814038 0.2976244), wk = 0.0027027 k( 366) = ( -0.4166667 0.0856882 0.2976244), wk = 0.0027027 k( 367) = ( -0.4375000 0.0899726 0.2976244), wk = 0.0027027 k( 368) = ( -0.4583333 0.0942570 0.2976244), wk = 0.0027027 k( 369) = ( -0.4791667 0.0985414 0.2976244), wk = 0.0027027 k( 370) = ( -0.5000000 0.1028259 0.2976244), wk = 0.0027027 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 2) = ( 0.0043429 0.0043429 0.0000000), wk = 0.0027027 k( 3) = ( 0.0086858 0.0086858 -0.0000000), wk = 0.0027027 k( 4) = ( 0.0130287 0.0130287 0.0000000), wk = 0.0027027 k( 5) = ( 0.0173715 0.0173715 -0.0000000), wk = 0.0027027 k( 6) = ( 0.0217144 0.0217144 0.0000000), wk = 0.0027027 k( 7) = ( 0.0260573 0.0260573 0.0000000), wk = 0.0027027 k( 8) = ( 0.0304002 0.0304002 -0.0000000), wk = 0.0027027 k( 9) = ( 0.0347431 0.0347431 0.0000000), wk = 0.0027027 k( 10) = ( 0.0390860 0.0390860 0.0000000), wk = 0.0027027 k( 11) = ( 0.0434289 0.0434289 0.0000000), wk = 0.0027027 k( 12) = ( 0.0477718 0.0477718 0.0000000), wk = 0.0027027 k( 13) = ( 0.0521146 0.0521146 0.0000000), wk = 0.0027027 k( 14) = ( 0.0564575 0.0564575 -0.0000000), wk = 0.0027027 k( 15) = ( 0.0608004 0.0608004 -0.0000000), wk = 0.0027027 k( 16) = ( 0.0651433 0.0651433 -0.0000000), wk = 0.0027027 k( 17) = ( 0.0694862 0.0694862 0.0000000), wk = 0.0027027 k( 18) = ( 0.0738291 0.0738291 -0.0000000), wk = 0.0027027 k( 19) = ( 0.0781720 0.0781720 0.0000000), wk = 0.0027027 k( 20) = ( 0.0825148 0.0825148 0.0000000), wk = 0.0027027 k( 21) = ( 0.0868577 0.0868577 0.0000000), wk = 0.0027027 k( 22) = ( 0.0912006 0.0912006 -0.0000000), wk = 0.0027027 k( 23) = ( 0.0955435 0.0955435 0.0000000), wk = 0.0027027 k( 24) = ( 0.0998864 0.0998864 -0.0000000), wk = 0.0027027 k( 25) = ( 0.1042293 0.1042293 0.0000000), wk = 0.0027027 k( 26) = ( 0.1085722 0.1085722 -0.0000000), wk = 0.0027027 k( 27) = ( 0.1129150 0.1129150 0.0000000), wk = 0.0027027 k( 28) = ( 0.1172579 0.1172579 -0.0000000), wk = 0.0027027 k( 29) = ( 0.1216008 0.1216008 -0.0000000), wk = 0.0027027 k( 30) = ( 0.1259437 0.1259437 0.0000000), wk = 0.0027027 k( 31) = ( 0.1302866 0.1302866 -0.0000000), wk = 0.0027027 k( 32) = ( 0.1346295 0.1346295 0.0000000), wk = 0.0027027 k( 33) = ( 0.1389723 0.1389724 -0.0000000), wk = 0.0027027 k( 34) = ( 0.1433152 0.1433152 -0.0000000), wk = 0.0027027 k( 35) = ( 0.1476581 0.1476581 -0.0000000), wk = 0.0027027 k( 36) = ( 0.1520010 0.1520010 0.0000000), wk = 0.0027027 k( 37) = ( 0.1563439 0.1563439 -0.0000000), wk = 0.0027027 k( 38) = ( 0.1606868 0.1606868 0.0000000), wk = 0.0027027 k( 39) = ( 0.1650297 0.1650297 -0.0000000), wk = 0.0027027 k( 40) = ( 0.1693726 0.1693726 -0.0000000), wk = 0.0027027 k( 41) = ( 0.1737154 0.1737154 0.0000000), wk = 0.0027027 k( 42) = ( 0.1780583 0.1780583 -0.0000000), wk = 0.0027027 k( 43) = ( 0.1824012 0.1824012 0.0000000), wk = 0.0027027 k( 44) = ( 0.1867441 0.1867441 0.0000000), wk = 0.0027027 k( 45) = ( 0.1910870 0.1910870 0.0000000), wk = 0.0027027 k( 46) = ( 0.1954299 0.1954299 0.0000000), wk = 0.0027027 k( 47) = ( 0.1997727 0.1997728 0.0000000), wk = 0.0027027 k( 48) = ( 0.2041156 0.2041156 0.0000000), wk = 0.0027027 k( 49) = ( 0.2084585 0.2084585 0.0000000), wk = 0.0027027 k( 50) = ( 0.2128014 0.2128014 -0.0000000), wk = 0.0027027 k( 51) = ( 0.2171443 0.2171443 -0.0000000), wk = 0.0027027 k( 52) = ( 0.2214872 0.2214872 0.0000000), wk = 0.0027027 k( 53) = ( 0.2258301 0.2258301 -0.0000000), wk = 0.0027027 k( 54) = ( 0.2301729 0.2301730 -0.0000000), wk = 0.0027027 k( 55) = ( 0.2345158 0.2345158 -0.0000000), wk = 0.0027027 k( 56) = ( 0.2388587 0.2388587 -0.0000000), wk = 0.0027027 k( 57) = ( 0.2432016 0.2432016 -0.0000000), wk = 0.0027027 k( 58) = ( 0.2475445 0.2475445 -0.0000000), wk = 0.0027027 k( 59) = ( 0.2518874 0.2518874 0.0000000), wk = 0.0027027 k( 60) = ( 0.2562303 0.2562303 0.0000000), wk = 0.0027027 k( 61) = ( 0.2605732 0.2605732 -0.0000000), wk = 0.0027027 k( 62) = ( 0.2605732 0.2605732 -0.0000000), wk = 0.0027027 k( 63) = ( 0.2388587 0.2805254 -0.0000000), wk = 0.0027027 k( 64) = ( 0.2171443 0.3004776 -0.0000000), wk = 0.0027027 k( 65) = ( 0.1954299 0.3204299 0.0000000), wk = 0.0027027 k( 66) = ( 0.1737154 0.3403821 -0.0000000), wk = 0.0027027 k( 67) = ( 0.1520010 0.3603343 0.0000000), wk = 0.0027027 k( 68) = ( 0.1302866 0.3802866 0.0000000), wk = 0.0027027 k( 69) = ( 0.1085722 0.4002388 0.0000000), wk = 0.0027027 k( 70) = ( 0.0868577 0.4201911 -0.0000000), wk = 0.0027027 k( 71) = ( 0.0651433 0.4401433 0.0000000), wk = 0.0027027 k( 72) = ( 0.0434289 0.4600955 -0.0000000), wk = 0.0027027 k( 73) = ( 0.0217144 0.4800478 0.0000000), wk = 0.0027027 k( 74) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027027 k( 75) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027027 k( 76) = ( 0.0000000 0.5000000 0.0357143), wk = 0.0027027 k( 77) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0027027 k( 78) = ( 0.0000000 0.5000000 0.1071429), wk = 0.0027027 k( 79) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0027027 k( 80) = ( 0.0000000 0.5000000 0.1785714), wk = 0.0027027 k( 81) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0027027 k( 82) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0027027 k( 83) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0027027 k( 84) = ( 0.0000000 0.5000000 0.3214286), wk = 0.0027027 k( 85) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0027027 k( 86) = ( 0.0000000 0.5000000 0.3928571), wk = 0.0027027 k( 87) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0027027 k( 88) = ( 0.0000000 0.5000000 0.4642857), wk = 0.0027027 k( 89) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027027 k( 90) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027027 k( 91) = ( 0.0217144 0.4800478 0.5000000), wk = 0.0027027 k( 92) = ( 0.0434289 0.4600955 0.5000000), wk = 0.0027027 k( 93) = ( 0.0651433 0.4401433 0.5000000), wk = 0.0027027 k( 94) = ( 0.0868577 0.4201911 0.5000000), wk = 0.0027027 k( 95) = ( 0.1085722 0.4002388 0.5000000), wk = 0.0027027 k( 96) = ( 0.1302866 0.3802866 0.5000000), wk = 0.0027027 k( 97) = ( 0.1520010 0.3603343 0.5000000), wk = 0.0027027 k( 98) = ( 0.1737154 0.3403821 0.5000000), wk = 0.0027027 k( 99) = ( 0.1954299 0.3204299 0.5000000), wk = 0.0027027 k( 100) = ( 0.2171443 0.3004776 0.5000000), wk = 0.0027027 k( 101) = ( 0.2388587 0.2805254 0.5000000), wk = 0.0027027 k( 102) = ( 0.2605732 0.2605732 0.5000000), wk = 0.0027027 k( 103) = ( 0.2605732 0.2605732 0.5000000), wk = 0.0027027 k( 104) = ( 0.2562303 0.2562303 0.5000000), wk = 0.0027027 k( 105) = ( 0.2518874 0.2518874 0.5000000), wk = 0.0027027 k( 106) = ( 0.2475445 0.2475445 0.5000000), wk = 0.0027027 k( 107) = ( 0.2432016 0.2432016 0.5000000), wk = 0.0027027 k( 108) = ( 0.2388587 0.2388587 0.5000000), wk = 0.0027027 k( 109) = ( 0.2345158 0.2345158 0.5000000), wk = 0.0027027 k( 110) = ( 0.2301729 0.2301730 0.5000000), wk = 0.0027027 k( 111) = ( 0.2258301 0.2258301 0.5000000), wk = 0.0027027 k( 112) = ( 0.2214872 0.2214872 0.5000000), wk = 0.0027027 k( 113) = ( 0.2171443 0.2171443 0.5000000), wk = 0.0027027 k( 114) = ( 0.2128014 0.2128014 0.5000000), wk = 0.0027027 k( 115) = ( 0.2084585 0.2084585 0.5000000), wk = 0.0027027 k( 116) = ( 0.2041156 0.2041156 0.5000000), wk = 0.0027027 k( 117) = ( 0.1997727 0.1997728 0.5000000), wk = 0.0027027 k( 118) = ( 0.1954299 0.1954299 0.5000000), wk = 0.0027027 k( 119) = ( 0.1910870 0.1910870 0.5000000), wk = 0.0027027 k( 120) = ( 0.1867441 0.1867441 0.5000000), wk = 0.0027027 k( 121) = ( 0.1824012 0.1824012 0.5000000), wk = 0.0027027 k( 122) = ( 0.1780583 0.1780583 0.5000000), wk = 0.0027027 k( 123) = ( 0.1737154 0.1737154 0.5000000), wk = 0.0027027 k( 124) = ( 0.1693726 0.1693726 0.5000000), wk = 0.0027027 k( 125) = ( 0.1650297 0.1650297 0.5000000), wk = 0.0027027 k( 126) = ( 0.1606868 0.1606868 0.5000000), wk = 0.0027027 k( 127) = ( 0.1563439 0.1563439 0.5000000), wk = 0.0027027 k( 128) = ( 0.1520010 0.1520010 0.5000000), wk = 0.0027027 k( 129) = ( 0.1476581 0.1476581 0.5000000), wk = 0.0027027 k( 130) = ( 0.1433152 0.1433152 0.5000000), wk = 0.0027027 k( 131) = ( 0.1389723 0.1389724 0.5000000), wk = 0.0027027 k( 132) = ( 0.1346295 0.1346295 0.5000000), wk = 0.0027027 k( 133) = ( 0.1302866 0.1302866 0.5000000), wk = 0.0027027 k( 134) = ( 0.1259437 0.1259437 0.5000000), wk = 0.0027027 k( 135) = ( 0.1216008 0.1216008 0.5000000), wk = 0.0027027 k( 136) = ( 0.1172579 0.1172579 0.5000000), wk = 0.0027027 k( 137) = ( 0.1129150 0.1129150 0.5000000), wk = 0.0027027 k( 138) = ( 0.1085722 0.1085722 0.5000000), wk = 0.0027027 k( 139) = ( 0.1042293 0.1042293 0.5000000), wk = 0.0027027 k( 140) = ( 0.0998864 0.0998864 0.5000000), wk = 0.0027027 k( 141) = ( 0.0955435 0.0955435 0.5000000), wk = 0.0027027 k( 142) = ( 0.0912006 0.0912006 0.5000000), wk = 0.0027027 k( 143) = ( 0.0868577 0.0868577 0.5000000), wk = 0.0027027 k( 144) = ( 0.0825148 0.0825148 0.5000000), wk = 0.0027027 k( 145) = ( 0.0781720 0.0781720 0.5000000), wk = 0.0027027 k( 146) = ( 0.0738291 0.0738291 0.5000000), wk = 0.0027027 k( 147) = ( 0.0694862 0.0694862 0.5000000), wk = 0.0027027 k( 148) = ( 0.0651433 0.0651433 0.5000000), wk = 0.0027027 k( 149) = ( 0.0608004 0.0608004 0.5000000), wk = 0.0027027 k( 150) = ( 0.0564575 0.0564575 0.5000000), wk = 0.0027027 k( 151) = ( 0.0521146 0.0521146 0.5000000), wk = 0.0027027 k( 152) = ( 0.0477718 0.0477718 0.5000000), wk = 0.0027027 k( 153) = ( 0.0434289 0.0434289 0.5000000), wk = 0.0027027 k( 154) = ( 0.0390860 0.0390860 0.5000000), wk = 0.0027027 k( 155) = ( 0.0347431 0.0347431 0.5000000), wk = 0.0027027 k( 156) = ( 0.0304002 0.0304002 0.5000000), wk = 0.0027027 k( 157) = ( 0.0260573 0.0260573 0.5000000), wk = 0.0027027 k( 158) = ( 0.0217144 0.0217144 0.5000000), wk = 0.0027027 k( 159) = ( 0.0173715 0.0173715 0.5000000), wk = 0.0027027 k( 160) = ( 0.0130287 0.0130287 0.5000000), wk = 0.0027027 k( 161) = ( 0.0086858 0.0086858 0.5000000), wk = 0.0027027 k( 162) = ( 0.0043429 0.0043429 0.5000000), wk = 0.0027027 k( 163) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027027 k( 164) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027027 k( 165) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0027027 k( 166) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0027027 k( 167) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0027027 k( 168) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0027027 k( 169) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0027027 k( 170) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0027027 k( 171) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0027027 k( 172) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0027027 k( 173) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0027027 k( 174) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0027027 k( 175) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0027027 k( 176) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0027027 k( 177) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0027027 k( 178) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 179) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 180) = ( -0.0208333 0.0208333 -0.0000000), wk = 0.0027027 k( 181) = ( -0.0416667 0.0416667 -0.0000000), wk = 0.0027027 k( 182) = ( -0.0625000 0.0625000 -0.0000000), wk = 0.0027027 k( 183) = ( -0.0833333 0.0833333 -0.0000000), wk = 0.0027027 k( 184) = ( -0.1041667 0.1041667 -0.0000000), wk = 0.0027027 k( 185) = ( -0.1250000 0.1250000 -0.0000000), wk = 0.0027027 k( 186) = ( -0.1458333 0.1458333 -0.0000000), wk = 0.0027027 k( 187) = ( -0.1666667 0.1666667 -0.0000000), wk = 0.0027027 k( 188) = ( -0.1875000 0.1875000 -0.0000000), wk = 0.0027027 k( 189) = ( -0.2083333 0.2083333 0.0000000), wk = 0.0027027 k( 190) = ( -0.2291667 0.2291667 -0.0000000), wk = 0.0027027 k( 191) = ( -0.2500000 0.2500000 -0.0000000), wk = 0.0027027 k( 192) = ( -0.2708333 0.2708333 0.0000000), wk = 0.0027027 k( 193) = ( -0.2916667 0.2916667 -0.0000000), wk = 0.0027027 k( 194) = ( -0.3125000 0.3125000 0.0000000), wk = 0.0027027 k( 195) = ( -0.3333333 0.3333333 -0.0000000), wk = 0.0027027 k( 196) = ( -0.3541667 0.3541667 -0.0000000), wk = 0.0027027 k( 197) = ( -0.3750000 0.3750000 -0.0000000), wk = 0.0027027 k( 198) = ( -0.3958333 0.3958333 -0.0000000), wk = 0.0027027 k( 199) = ( -0.4166667 0.4166667 -0.0000000), wk = 0.0027027 k( 200) = ( -0.4375000 0.4375000 -0.0000000), wk = 0.0027027 k( 201) = ( -0.4583333 0.4583333 -0.0000000), wk = 0.0027027 k( 202) = ( -0.4791667 0.4791667 -0.0000000), wk = 0.0027027 k( 203) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0027027 k( 204) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0027027 k( 205) = ( -0.4956468 0.5043532 -0.0000000), wk = 0.0027027 k( 206) = ( -0.4912936 0.5087064 -0.0000000), wk = 0.0027027 k( 207) = ( -0.4869404 0.5130596 0.0000000), wk = 0.0027027 k( 208) = ( -0.4825871 0.5174129 -0.0000000), wk = 0.0027027 k( 209) = ( -0.4782339 0.5217661 -0.0000000), wk = 0.0027027 k( 210) = ( -0.4738807 0.5261193 -0.0000000), wk = 0.0027027 k( 211) = ( -0.4695275 0.5304725 -0.0000000), wk = 0.0027027 k( 212) = ( -0.4651743 0.5348257 -0.0000000), wk = 0.0027027 k( 213) = ( -0.4608211 0.5391789 -0.0000000), wk = 0.0027027 k( 214) = ( -0.4564679 0.5435321 -0.0000000), wk = 0.0027027 k( 215) = ( -0.4521146 0.5478854 -0.0000000), wk = 0.0027027 k( 216) = ( -0.4477614 0.5522386 0.0000000), wk = 0.0027027 k( 217) = ( -0.4434082 0.5565918 -0.0000000), wk = 0.0027027 k( 218) = ( -0.4390550 0.5609450 -0.0000000), wk = 0.0027027 k( 219) = ( -0.4347018 0.5652982 -0.0000000), wk = 0.0027027 k( 220) = ( -0.4303485 0.5696514 -0.0000000), wk = 0.0027027 k( 221) = ( -0.4259953 0.5740047 0.0000000), wk = 0.0027027 k( 222) = ( -0.4216421 0.5783579 0.0000000), wk = 0.0027027 k( 223) = ( -0.4172889 0.5827111 -0.0000000), wk = 0.0027027 k( 224) = ( -0.4129357 0.5870643 -0.0000000), wk = 0.0027027 k( 225) = ( -0.4085825 0.5914175 -0.0000000), wk = 0.0027027 k( 226) = ( -0.4042293 0.5957707 -0.0000000), wk = 0.0027027 k( 227) = ( -0.3998760 0.6001239 0.0000000), wk = 0.0027027 k( 228) = ( -0.3955228 0.6044772 0.0000000), wk = 0.0027027 k( 229) = ( -0.3911696 0.6088304 -0.0000000), wk = 0.0027027 k( 230) = ( -0.3868164 0.6131836 -0.0000000), wk = 0.0027027 k( 231) = ( -0.3824632 0.6175368 0.0000000), wk = 0.0027027 k( 232) = ( -0.3781100 0.6218900 0.0000000), wk = 0.0027027 k( 233) = ( -0.3737568 0.6262433 0.0000000), wk = 0.0027027 k( 234) = ( -0.3694035 0.6305965 -0.0000000), wk = 0.0027027 k( 235) = ( -0.3650503 0.6349497 -0.0000000), wk = 0.0027027 k( 236) = ( -0.3606971 0.6393029 -0.0000000), wk = 0.0027027 k( 237) = ( -0.3563439 0.6436561 -0.0000000), wk = 0.0027027 k( 238) = ( -0.3519907 0.6480093 0.0000000), wk = 0.0027027 k( 239) = ( -0.3476375 0.6523625 -0.0000000), wk = 0.0027027 k( 240) = ( -0.3432843 0.6567158 -0.0000000), wk = 0.0027027 k( 241) = ( -0.3389310 0.6610690 -0.0000000), wk = 0.0027027 k( 242) = ( -0.3345778 0.6654222 -0.0000000), wk = 0.0027027 k( 243) = ( -0.3302246 0.6697754 0.0000000), wk = 0.0027027 k( 244) = ( -0.3258714 0.6741286 -0.0000000), wk = 0.0027027 k( 245) = ( -0.3215182 0.6784818 -0.0000000), wk = 0.0027027 k( 246) = ( -0.3171650 0.6828350 -0.0000000), wk = 0.0027027 k( 247) = ( -0.3128117 0.6871883 -0.0000000), wk = 0.0027027 k( 248) = ( -0.3084585 0.6915415 -0.0000000), wk = 0.0027027 k( 249) = ( -0.3041053 0.6958947 -0.0000000), wk = 0.0027027 k( 250) = ( -0.2997521 0.7002479 -0.0000000), wk = 0.0027027 k( 251) = ( -0.2953989 0.7046011 -0.0000000), wk = 0.0027027 k( 252) = ( -0.2910457 0.7089543 -0.0000000), wk = 0.0027027 k( 253) = ( -0.2866924 0.7133076 -0.0000000), wk = 0.0027027 k( 254) = ( -0.2823392 0.7176608 -0.0000000), wk = 0.0027027 k( 255) = ( -0.2779860 0.7220140 0.0000000), wk = 0.0027027 k( 256) = ( -0.2736328 0.7263672 0.0000000), wk = 0.0027027 k( 257) = ( -0.2692796 0.7307204 -0.0000000), wk = 0.0027027 k( 258) = ( -0.2649264 0.7350736 -0.0000000), wk = 0.0027027 k( 259) = ( -0.2605732 0.7394268 -0.0000000), wk = 0.0027027 k( 260) = ( -0.2605732 0.7394268 -0.0000000), wk = 0.0027027 k( 261) = ( -0.2605732 0.7394268 0.0357143), wk = 0.0027027 k( 262) = ( -0.2605732 0.7394268 0.0714286), wk = 0.0027027 k( 263) = ( -0.2605732 0.7394268 0.1071429), wk = 0.0027027 k( 264) = ( -0.2605732 0.7394268 0.1428571), wk = 0.0027027 k( 265) = ( -0.2605732 0.7394268 0.1785714), wk = 0.0027027 k( 266) = ( -0.2605732 0.7394268 0.2142857), wk = 0.0027027 k( 267) = ( -0.2605732 0.7394268 0.2500000), wk = 0.0027027 k( 268) = ( -0.2605732 0.7394268 0.2857143), wk = 0.0027027 k( 269) = ( -0.2605732 0.7394268 0.3214286), wk = 0.0027027 k( 270) = ( -0.2605732 0.7394268 0.3571429), wk = 0.0027027 k( 271) = ( -0.2605732 0.7394268 0.3928571), wk = 0.0027027 k( 272) = ( -0.2605732 0.7394268 0.4285714), wk = 0.0027027 k( 273) = ( -0.2605732 0.7394268 0.4642857), wk = 0.0027027 k( 274) = ( -0.2605732 0.7394268 0.5000000), wk = 0.0027027 k( 275) = ( -0.2605732 0.7394268 0.5000000), wk = 0.0027027 k( 276) = ( -0.2649264 0.7350736 0.5000000), wk = 0.0027027 k( 277) = ( -0.2692796 0.7307204 0.5000000), wk = 0.0027027 k( 278) = ( -0.2736328 0.7263672 0.5000000), wk = 0.0027027 k( 279) = ( -0.2779860 0.7220140 0.5000000), wk = 0.0027027 k( 280) = ( -0.2823392 0.7176608 0.5000000), wk = 0.0027027 k( 281) = ( -0.2866924 0.7133076 0.5000000), wk = 0.0027027 k( 282) = ( -0.2910457 0.7089543 0.5000000), wk = 0.0027027 k( 283) = ( -0.2953989 0.7046011 0.5000000), wk = 0.0027027 k( 284) = ( -0.2997521 0.7002479 0.5000000), wk = 0.0027027 k( 285) = ( -0.3041053 0.6958947 0.5000000), wk = 0.0027027 k( 286) = ( -0.3084585 0.6915415 0.5000000), wk = 0.0027027 k( 287) = ( -0.3128117 0.6871883 0.5000000), wk = 0.0027027 k( 288) = ( -0.3171650 0.6828350 0.5000000), wk = 0.0027027 k( 289) = ( -0.3215182 0.6784818 0.5000000), wk = 0.0027027 k( 290) = ( -0.3258714 0.6741286 0.5000000), wk = 0.0027027 k( 291) = ( -0.3302246 0.6697754 0.5000000), wk = 0.0027027 k( 292) = ( -0.3345778 0.6654222 0.5000000), wk = 0.0027027 k( 293) = ( -0.3389310 0.6610690 0.5000000), wk = 0.0027027 k( 294) = ( -0.3432843 0.6567158 0.5000000), wk = 0.0027027 k( 295) = ( -0.3476375 0.6523625 0.5000000), wk = 0.0027027 k( 296) = ( -0.3519907 0.6480093 0.5000000), wk = 0.0027027 k( 297) = ( -0.3563439 0.6436561 0.5000000), wk = 0.0027027 k( 298) = ( -0.3606971 0.6393029 0.5000000), wk = 0.0027027 k( 299) = ( -0.3650503 0.6349497 0.5000000), wk = 0.0027027 k( 300) = ( -0.3694035 0.6305965 0.5000000), wk = 0.0027027 k( 301) = ( -0.3737568 0.6262433 0.5000000), wk = 0.0027027 k( 302) = ( -0.3781100 0.6218900 0.5000000), wk = 0.0027027 k( 303) = ( -0.3824632 0.6175368 0.5000000), wk = 0.0027027 k( 304) = ( -0.3868164 0.6131836 0.5000000), wk = 0.0027027 k( 305) = ( -0.3911696 0.6088304 0.5000000), wk = 0.0027027 k( 306) = ( -0.3955228 0.6044772 0.5000000), wk = 0.0027027 k( 307) = ( -0.3998760 0.6001239 0.5000000), wk = 0.0027027 k( 308) = ( -0.4042293 0.5957707 0.5000000), wk = 0.0027027 k( 309) = ( -0.4085825 0.5914175 0.5000000), wk = 0.0027027 k( 310) = ( -0.4129357 0.5870643 0.5000000), wk = 0.0027027 k( 311) = ( -0.4172889 0.5827111 0.5000000), wk = 0.0027027 k( 312) = ( -0.4216421 0.5783579 0.5000000), wk = 0.0027027 k( 313) = ( -0.4259953 0.5740047 0.5000000), wk = 0.0027027 k( 314) = ( -0.4303485 0.5696514 0.5000000), wk = 0.0027027 k( 315) = ( -0.4347018 0.5652982 0.5000000), wk = 0.0027027 k( 316) = ( -0.4390550 0.5609450 0.5000000), wk = 0.0027027 k( 317) = ( -0.4434082 0.5565918 0.5000000), wk = 0.0027027 k( 318) = ( -0.4477614 0.5522386 0.5000000), wk = 0.0027027 k( 319) = ( -0.4521146 0.5478854 0.5000000), wk = 0.0027027 k( 320) = ( -0.4564679 0.5435321 0.5000000), wk = 0.0027027 k( 321) = ( -0.4608211 0.5391789 0.5000000), wk = 0.0027027 k( 322) = ( -0.4651743 0.5348257 0.5000000), wk = 0.0027027 k( 323) = ( -0.4695275 0.5304725 0.5000000), wk = 0.0027027 k( 324) = ( -0.4738807 0.5261193 0.5000000), wk = 0.0027027 k( 325) = ( -0.4782339 0.5217661 0.5000000), wk = 0.0027027 k( 326) = ( -0.4825871 0.5174129 0.5000000), wk = 0.0027027 k( 327) = ( -0.4869404 0.5130596 0.5000000), wk = 0.0027027 k( 328) = ( -0.4912936 0.5087064 0.5000000), wk = 0.0027027 k( 329) = ( -0.4956468 0.5043532 0.5000000), wk = 0.0027027 k( 330) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0027027 k( 331) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0027027 k( 332) = ( -0.5000000 0.5000000 0.4642857), wk = 0.0027027 k( 333) = ( -0.5000000 0.5000000 0.4285714), wk = 0.0027027 k( 334) = ( -0.5000000 0.5000000 0.3928571), wk = 0.0027027 k( 335) = ( -0.5000000 0.5000000 0.3571429), wk = 0.0027027 k( 336) = ( -0.5000000 0.5000000 0.3214286), wk = 0.0027027 k( 337) = ( -0.5000000 0.5000000 0.2857143), wk = 0.0027027 k( 338) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0027027 k( 339) = ( -0.5000000 0.5000000 0.2142857), wk = 0.0027027 k( 340) = ( -0.5000000 0.5000000 0.1785714), wk = 0.0027027 k( 341) = ( -0.5000000 0.5000000 0.1428571), wk = 0.0027027 k( 342) = ( -0.5000000 0.5000000 0.1071429), wk = 0.0027027 k( 343) = ( -0.5000000 0.5000000 0.0714286), wk = 0.0027027 k( 344) = ( -0.5000000 0.5000000 0.0357143), wk = 0.0027027 k( 345) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0027027 k( 346) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027027 k( 347) = ( -0.0208333 0.0208333 0.5000000), wk = 0.0027027 k( 348) = ( -0.0416667 0.0416667 0.5000000), wk = 0.0027027 k( 349) = ( -0.0625000 0.0625000 0.5000000), wk = 0.0027027 k( 350) = ( -0.0833333 0.0833333 0.5000000), wk = 0.0027027 k( 351) = ( -0.1041667 0.1041667 0.5000000), wk = 0.0027027 k( 352) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0027027 k( 353) = ( -0.1458333 0.1458333 0.5000000), wk = 0.0027027 k( 354) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0027027 k( 355) = ( -0.1875000 0.1875000 0.5000000), wk = 0.0027027 k( 356) = ( -0.2083333 0.2083333 0.5000000), wk = 0.0027027 k( 357) = ( -0.2291667 0.2291667 0.5000000), wk = 0.0027027 k( 358) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0027027 k( 359) = ( -0.2708333 0.2708333 0.5000000), wk = 0.0027027 k( 360) = ( -0.2916667 0.2916667 0.5000000), wk = 0.0027027 k( 361) = ( -0.3125000 0.3125000 0.5000000), wk = 0.0027027 k( 362) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0027027 k( 363) = ( -0.3541667 0.3541667 0.5000000), wk = 0.0027027 k( 364) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0027027 k( 365) = ( -0.3958333 0.3958333 0.5000000), wk = 0.0027027 k( 366) = ( -0.4166667 0.4166667 0.5000000), wk = 0.0027027 k( 367) = ( -0.4375000 0.4375000 0.5000000), wk = 0.0027027 k( 368) = ( -0.4583333 0.4583333 0.5000000), wk = 0.0027027 k( 369) = ( -0.4791667 0.4791667 0.5000000), wk = 0.0027027 k( 370) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0027027 Dense grid: 140135 G-vectors FFT dimensions: ( 75, 75, 125) Smooth grid: 62099 G-vectors FFT dimensions: ( 60, 60, 96) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.22 Mb ( 252, 56) NL pseudopotentials 0.24 Mb ( 126, 124) Each V/rho on FFT grid 0.17 Mb ( 11250) Each G-vector array 0.01 Mb ( 1954) G-vector shells 0.01 Mb ( 989) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.86 Mb ( 252, 224) Each subspace H/S matrix 0.02 Mb ( 37, 37) Each matrix 0.21 Mb ( 124, 2, 56) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./CuO2.save/charge-density.dat negative rho (up, down): 2.767E-05 0.000E+00 Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.1 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 4.8 secs Computing kpt #: 4 total cpu time spent up to now is 6.0 secs Computing kpt #: 5 total cpu time spent up to now is 6.8 secs Computing kpt #: 6 total cpu time spent up to now is 7.6 secs Computing kpt #: 7 total cpu time spent up to now is 8.4 secs Computing kpt #: 8 total cpu time spent up to now is 9.2 secs Computing kpt #: 9 total cpu time spent up to now is 10.0 secs Computing kpt #: 10 total cpu time spent up to now is 10.9 secs Computing kpt #: 11 total cpu time spent up to now is 11.7 secs Computing kpt #: 12 total cpu time spent up to now is 12.6 secs Computing kpt #: 13 total cpu time spent up to now is 13.4 secs Computing kpt #: 14 total cpu time spent up to now is 14.2 secs Computing kpt #: 15 total cpu time spent up to now is 15.1 secs Computing kpt #: 16 total cpu time spent up to now is 15.9 secs Computing kpt #: 17 total cpu time spent up to now is 16.7 secs Computing kpt #: 18 total cpu time spent up to now is 17.6 secs Computing kpt #: 19 total cpu time spent up to now is 18.4 secs Computing kpt #: 20 total cpu time spent up to now is 19.4 secs Computing kpt #: 21 total cpu time spent up to now is 20.2 secs Computing kpt #: 22 total cpu time spent up to now is 21.1 secs Computing kpt #: 23 total cpu time spent up to now is 22.0 secs Computing kpt #: 24 total cpu time spent up to now is 22.8 secs Computing kpt #: 25 total cpu time spent up to now is 23.7 secs Computing kpt #: 26 total cpu time spent up to now is 24.5 secs Computing kpt #: 27 total cpu time spent up to now is 25.4 secs Computing kpt #: 28 total cpu time spent up to now is 26.3 secs Computing kpt #: 29 total cpu time spent up to now is 27.1 secs Computing kpt #: 30 total cpu time spent up to now is 28.0 secs Computing kpt #: 31 total cpu time spent up to now is 28.9 secs Computing kpt #: 32 total cpu time spent up to now is 29.8 secs Computing kpt #: 33 total cpu time spent up to now is 30.6 secs Computing kpt #: 34 total cpu time spent up to now is 31.5 secs Computing kpt #: 35 total cpu time spent up to now is 32.4 secs Computing kpt #: 36 total cpu time spent up to now is 33.3 secs Computing kpt #: 37 total cpu time spent up to now is 34.7 secs Computing kpt #: 38 total cpu time spent up to now is 35.8 secs Computing kpt #: 39 total cpu time spent up to now is 36.9 secs Computing kpt #: 40 total cpu time spent up to now is 37.9 secs Computing kpt #: 41 total cpu time spent up to now is 39.0 secs Computing kpt #: 42 total cpu time spent up to now is 40.0 secs Computing kpt #: 43 total cpu time spent up to now is 41.0 secs Computing kpt #: 44 total cpu time spent up to now is 42.1 secs Computing kpt #: 45 total cpu time spent up to now is 43.2 secs Computing kpt #: 46 total cpu time spent up to now is 44.2 secs Computing kpt #: 47 total cpu time spent up to now is 45.4 secs Computing kpt #: 48 total cpu time spent up to now is 47.7 secs Computing kpt #: 49 total cpu time spent up to now is 49.4 secs Computing kpt #: 50 total cpu time spent up to now is 51.0 secs Computing kpt #: 51 total cpu time spent up to now is 52.6 secs Computing kpt #: 52 total cpu time spent up to now is 54.9 secs Computing kpt #: 53 total cpu time spent up to now is 57.2 secs Computing kpt #: 54 total cpu time spent up to now is 58.8 secs Computing kpt #: 55 total cpu time spent up to now is 60.3 secs Computing kpt #: 56 total cpu time spent up to now is 61.8 secs Computing kpt #: 57 total cpu time spent up to now is 63.1 secs Computing kpt #: 58 total cpu time spent up to now is 64.3 secs Computing kpt #: 59 total cpu time spent up to now is 65.7 secs Computing kpt #: 60 total cpu time spent up to now is 67.0 secs Computing kpt #: 61 total cpu time spent up to now is 68.3 secs Computing kpt #: 62 total cpu time spent up to now is 69.6 secs Computing kpt #: 63 total cpu time spent up to now is 70.9 secs Computing kpt #: 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total cpu time spent up to now is 111.6 secs Computing kpt #: 96 total cpu time spent up to now is 112.9 secs Computing kpt #: 97 total cpu time spent up to now is 114.2 secs Computing kpt #: 98 total cpu time spent up to now is 115.5 secs Computing kpt #: 99 total cpu time spent up to now is 116.8 secs Computing kpt #: 100 total cpu time spent up to now is 118.1 secs Computing kpt #: 101 total cpu time spent up to now is 119.4 secs Computing kpt #: 102 total cpu time spent up to now is 120.6 secs Computing kpt #: 103 total cpu time spent up to now is 121.9 secs Computing kpt #: 104 total cpu time spent up to now is 123.2 secs Computing kpt #: 105 total cpu time spent up to now is 124.4 secs Computing kpt #: 106 total cpu time spent up to now is 125.7 secs Computing kpt #: 107 total cpu time spent up to now is 127.0 secs Computing kpt #: 108 total cpu time spent up to now is 128.3 secs Computing kpt #: 109 total cpu time spent up to now is 129.6 secs Computing kpt #: 110 total cpu time 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is 261.4 secs Computing kpt #: 232 total cpu time spent up to now is 262.4 secs Computing kpt #: 233 total cpu time spent up to now is 263.4 secs Computing kpt #: 234 total cpu time spent up to now is 264.3 secs Computing kpt #: 235 total cpu time spent up to now is 265.1 secs Computing kpt #: 236 total cpu time spent up to now is 266.2 secs Computing kpt #: 237 total cpu time spent up to now is 267.2 secs Computing kpt #: 238 total cpu time spent up to now is 268.2 secs Computing kpt #: 239 total cpu time spent up to now is 269.1 secs Computing kpt #: 240 total cpu time spent up to now is 270.1 secs Computing kpt #: 241 total cpu time spent up to now is 271.1 secs Computing kpt #: 242 total cpu time spent up to now is 272.0 secs Computing kpt #: 243 total cpu time spent up to now is 273.0 secs Computing kpt #: 244 total cpu time spent up to now is 273.9 secs Computing kpt #: 245 total cpu time spent up to now is 274.8 secs Computing kpt #: 246 total cpu time spent up to now is 275.7 secs Computing kpt #: 247 total cpu time spent up to now is 276.7 secs Computing kpt #: 248 total cpu time spent up to now is 277.7 secs Computing kpt #: 249 total cpu time spent up to now is 278.7 secs Computing kpt #: 250 total cpu time spent up to now is 279.7 secs Computing kpt #: 251 total cpu time spent up to now is 280.7 secs Computing kpt #: 252 total cpu time spent up to now is 281.8 secs Computing kpt #: 253 total cpu time spent up to now is 283.0 secs Computing kpt #: 254 total cpu time spent up to now is 284.1 secs Computing kpt #: 255 total cpu time spent up to now is 285.4 secs Computing kpt #: 256 total cpu time spent up to now is 286.7 secs Computing kpt #: 257 total cpu time spent up to now is 288.1 secs Computing kpt #: 258 total cpu time spent up to now is 289.4 secs Computing kpt #: 259 total cpu time spent up to now is 290.6 secs Computing kpt #: 260 total cpu time spent up to now is 292.0 secs Computing kpt #: 261 total cpu time spent up to now is 293.2 secs 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up to now is 360.0 secs Computing kpt #: 323 total cpu time spent up to now is 361.1 secs Computing kpt #: 324 total cpu time spent up to now is 362.6 secs Computing kpt #: 325 total cpu time spent up to now is 364.2 secs Computing kpt #: 326 total cpu time spent up to now is 366.2 secs Computing kpt #: 327 total cpu time spent up to now is 367.8 secs Computing kpt #: 328 total cpu time spent up to now is 369.3 secs Computing kpt #: 329 total cpu time spent up to now is 370.9 secs Computing kpt #: 330 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 373.8 secs Computing kpt #: 331 total cpu time spent up to now is 375.8 secs Computing kpt #: 332 total cpu time spent up to now is 377.4 secs Computing kpt #: 333 total cpu time spent up to now is 378.9 secs Computing kpt #: 334 total cpu time spent up to now is 380.4 secs Computing kpt #: 335 total cpu time spent up to now is 381.9 secs Computing kpt #: 336 total cpu time spent up to now is 383.4 secs Computing kpt #: 337 total cpu time spent up to now is 384.9 secs Computing kpt #: 338 total cpu time spent up to now is 386.4 secs Computing kpt #: 339 total cpu time spent up to now is 387.9 secs Computing kpt #: 340 total cpu time spent up to now is 389.4 secs Computing kpt #: 341 total cpu time spent up to now is 390.9 secs Computing kpt #: 342 total cpu time spent up to now is 392.4 secs Computing kpt #: 343 total cpu time spent up to now is 393.8 secs Computing kpt #: 344 total cpu time spent up to now is 395.3 secs Computing kpt #: 345 total cpu time spent up to now is 396.7 secs Computing kpt #: 346 total cpu time spent up to now is 397.5 secs Computing kpt #: 347 total cpu time spent up to now is 398.3 secs Computing kpt #: 348 total cpu time spent up to now is 399.1 secs Computing kpt #: 349 total cpu time spent up to now is 399.9 secs Computing kpt #: 350 total cpu time spent up to now is 400.8 secs Computing kpt #: 351 total cpu time spent up to now is 401.6 secs Computing kpt #: 352 total cpu time spent up to now is 402.5 secs Computing kpt #: 353 total cpu time spent up to now is 403.3 secs Computing kpt #: 354 total cpu time spent up to now is 404.2 secs Computing kpt #: 355 total cpu time spent up to now is 405.1 secs Computing kpt #: 356 total cpu time spent up to now is 406.0 secs Computing kpt #: 357 total cpu time spent up to now is 407.0 secs Computing kpt #: 358 total cpu time spent up to now is 408.0 secs Computing kpt #: 359 total cpu time spent up to now is 409.1 secs Computing kpt #: 360 total cpu time spent up to now is 410.1 secs Computing kpt #: 361 total cpu time spent up to now is 411.1 secs Computing kpt #: 362 total cpu time spent up to now is 412.2 secs Computing kpt #: 363 total cpu time spent up to now is 413.3 secs Computing kpt #: 364 total cpu time spent up to now is 414.4 secs Computing kpt #: 365 total cpu time spent up to now is 415.6 secs Computing kpt #: 366 total cpu time spent up to now is 416.8 secs Computing kpt #: 367 total cpu time spent up to now is 417.9 secs Computing kpt #: 368 total cpu time spent up to now is 419.1 secs Computing kpt #: 369 total cpu time spent up to now is 420.3 secs Computing kpt #: 370 total cpu time spent up to now is 422.0 secs ethr = 2.17E-08, avg # of iterations = 28.7 total cpu time spent up to now is 422.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7749 PWs) bands (ev): -20.8454 -20.8454 -20.8046 -20.8046 -19.8769 -19.8769 -19.8208 -19.8208 -8.5764 -8.5764 -8.4144 -8.4144 -8.2430 -8.2430 -8.2313 -8.2313 -7.0283 -7.0283 -7.0090 -7.0090 -6.2197 -6.2197 -6.2100 -6.2100 -6.0716 -6.0716 -6.0625 -6.0625 -5.5249 -5.5249 -5.4398 -5.4398 -4.8929 -4.8929 -4.6653 -4.6653 -4.5659 -4.5659 -4.2806 -4.2806 -4.2673 -4.2673 -3.9555 -3.9555 -3.6446 -3.6446 -3.5517 -3.5517 -1.5485 -1.5485 -1.5362 -1.5362 1.5990 1.5990 2.3089 2.3089 k = 0.0043 0.0211-0.0000 ( 7755 PWs) bands (ev): -20.8448 -20.8448 -20.8040 -20.8040 -19.8768 -19.8768 -19.8207 -19.8207 -8.5754 -8.5754 -8.4135 -8.4135 -8.2429 -8.2429 -8.2312 -8.2312 -7.0279 -7.0279 -7.0086 -7.0086 -6.2209 -6.2209 -6.2112 -6.2112 -6.0749 -6.0749 -6.0654 -6.0654 -5.5207 -5.5207 -5.4360 -5.4360 -4.8941 -4.8941 -4.6682 -4.6682 -4.5650 -4.5650 -4.2815 -4.2815 -4.2664 -4.2664 -3.9553 -3.9553 -3.6449 -3.6449 -3.5520 -3.5520 -1.5511 -1.5511 -1.5383 -1.5383 1.6011 1.6011 2.3107 2.3107 k = 0.0087 0.0422-0.0000 ( 7759 PWs) bands (ev): -20.8431 -20.8431 -20.8023 -20.8023 -19.8766 -19.8766 -19.8204 -19.8204 -8.5725 -8.5725 -8.4110 -8.4110 -8.2426 -8.2426 -8.2310 -8.2310 -7.0266 -7.0266 -7.0073 -7.0073 -6.2245 -6.2245 -6.2150 -6.2150 -6.0845 -6.0845 -6.0737 -6.0737 -5.5087 -5.5087 -5.4249 -5.4249 -4.8980 -4.8980 -4.6766 -4.6766 -4.5626 -4.5626 -4.2841 -4.2841 -4.2639 -4.2639 -3.9546 -3.9546 -3.6456 -3.6456 -3.5528 -3.5528 -1.5587 -1.5587 -1.5445 -1.5445 1.6074 1.6074 2.3160 2.3160 k = 0.0130 0.0634-0.0000 ( 7763 PWs) bands (ev): -20.8403 -20.8403 -20.7995 -20.7995 -19.8761 -19.8761 -19.8201 -19.8201 -8.5676 -8.5676 -8.4068 -8.4068 -8.2420 -8.2420 -8.2305 -8.2305 -7.0244 -7.0244 -7.0051 -7.0051 -6.2307 -6.2307 -6.2214 -6.2214 -6.0993 -6.0993 -6.0868 -6.0868 -5.4895 -5.4895 -5.4072 -5.4072 -4.9043 -4.9043 -4.6902 -4.6902 -4.5586 -4.5586 -4.2882 -4.2882 -4.2601 -4.2601 -3.9534 -3.9534 -3.6467 -3.6467 -3.5541 -3.5541 -1.5712 -1.5712 -1.5548 -1.5548 1.6178 1.6178 2.3248 2.3248 k = 0.0174 0.0845-0.0000 ( 7759 PWs) bands (ev): -20.8364 -20.8364 -20.7956 -20.7956 -19.8755 -19.8755 -19.8195 -19.8195 -8.5607 -8.5607 -8.4009 -8.4009 -8.2411 -8.2411 -8.2298 -8.2298 -7.0213 -7.0213 -7.0021 -7.0021 -6.2396 -6.2396 -6.2307 -6.2307 -6.1182 -6.1182 -6.1037 -6.1037 -5.4643 -5.4643 -5.3836 -5.3836 -4.9130 -4.9130 -4.7084 -4.7084 -4.5531 -4.5531 -4.2939 -4.2939 -4.2555 -4.2555 -3.9518 -3.9518 -3.6484 -3.6484 -3.5560 -3.5560 -1.5886 -1.5886 -1.5690 -1.5690 1.6322 1.6322 2.3371 2.3371 k = 0.0217 0.1056-0.0000 ( 7751 PWs) bands (ev): -20.8313 -20.8313 -20.7906 -20.7906 -19.8746 -19.8746 -19.8188 -19.8188 -8.5519 -8.5519 -8.3935 -8.3935 -8.2399 -8.2399 -8.2287 -8.2287 -7.0173 -7.0173 -6.9983 -6.9983 -6.2516 -6.2516 -6.2430 -6.2430 -6.1397 -6.1397 -6.1232 -6.1232 -5.4341 -5.4341 -5.3551 -5.3551 -4.9242 -4.9242 -4.7306 -4.7306 -4.5463 -4.5463 -4.3009 -4.3009 -4.2504 -4.2504 -3.9500 -3.9500 -3.6505 -3.6505 -3.5584 -3.5584 -1.6106 -1.6106 -1.5870 -1.5870 1.6507 1.6507 2.3528 2.3528 k = 0.0261 0.1267-0.0000 ( 7755 PWs) bands (ev): -20.8252 -20.8252 -20.7845 -20.7845 -19.8736 -19.8736 -19.8180 -19.8180 -8.5412 -8.5412 -8.3847 -8.3847 -8.2384 -8.2384 -8.2272 -8.2272 -7.0125 -7.0125 -6.9936 -6.9936 -6.2670 -6.2670 -6.2587 -6.2587 -6.1628 -6.1628 -6.1445 -6.1445 -5.4001 -5.4001 -5.3226 -5.3226 -4.9376 -4.9376 -4.7561 -4.7561 -4.5382 -4.5382 -4.3091 -4.3091 -4.2452 -4.2452 -3.9479 -3.9479 -3.6531 -3.6531 -3.5613 -3.5613 -1.6371 -1.6371 -1.6086 -1.6086 1.6731 1.6731 2.3720 2.3720 k = 0.0304 0.1478-0.0000 ( 7753 PWs) bands (ev): -20.8179 -20.8179 -20.7773 -20.7773 -19.8725 -19.8725 -19.8170 -19.8170 -8.5286 -8.5286 -8.3746 -8.3746 -8.2366 -8.2366 -8.2250 -8.2250 -7.0069 -7.0069 -6.9882 -6.9882 -6.2861 -6.2861 -6.2778 -6.2778 -6.1864 -6.1864 -6.1667 -6.1667 -5.3630 -5.3630 -5.2867 -5.2867 -4.9531 -4.9531 -4.7844 -4.7844 -4.5290 -4.5290 -4.3184 -4.3184 -4.2404 -4.2404 -3.9459 -3.9459 -3.6562 -3.6562 -3.5647 -3.5647 -1.6678 -1.6678 -1.6335 -1.6335 1.6994 1.6994 2.3944 2.3944 k = 0.0347 0.1689-0.0000 ( 7757 PWs) bands (ev): -20.8096 -20.8096 -20.7691 -20.7691 -19.8711 -19.8711 -19.8159 -19.8159 -8.5142 -8.5142 -8.3633 -8.3633 -8.2343 -8.2343 -8.2219 -8.2219 -7.0005 -7.0005 -6.9819 -6.9819 -6.3087 -6.3087 -6.3002 -6.3002 -6.2102 -6.2102 -6.1895 -6.1895 -5.3235 -5.3235 -5.2483 -5.2483 -4.9706 -4.9706 -4.8148 -4.8148 -4.5189 -4.5189 -4.3286 -4.3286 -4.2361 -4.2361 -3.9440 -3.9440 -3.6597 -3.6597 -3.5687 -3.5687 -1.7025 -1.7025 -1.6615 -1.6615 1.7294 1.7294 2.4201 2.4201 k = 0.0391 0.1901-0.0000 ( 7765 PWs) bands (ev): -20.8002 -20.8002 -20.7598 -20.7598 -19.8696 -19.8696 -19.8146 -19.8146 -8.4979 -8.4979 -8.3513 -8.3513 -8.2316 -8.2316 -8.2177 -8.2177 -6.9932 -6.9932 -6.9749 -6.9749 -6.3346 -6.3346 -6.3256 -6.3256 -6.2342 -6.2342 -6.2129 -6.2129 -5.2822 -5.2822 -5.2077 -5.2077 -4.9896 -4.9896 -4.8467 -4.8467 -4.5079 -4.5079 -4.3396 -4.3396 -4.2326 -4.2326 -3.9424 -3.9424 -3.6637 -3.6637 -3.5732 -3.5732 -1.7408 -1.7408 -1.6921 -1.6921 1.7630 1.7630 2.4490 2.4490 k = 0.0434 0.2112-0.0000 ( 7763 PWs) bands (ev): -20.7898 -20.7898 -20.7494 -20.7494 -19.8679 -19.8679 -19.8132 -19.8132 -8.4799 -8.4799 -8.3389 -8.3389 -8.2283 -8.2283 -8.2118 -8.2118 -6.9852 -6.9852 -6.9671 -6.9671 -6.3631 -6.3631 -6.3535 -6.3535 -6.2587 -6.2587 -6.2372 -6.2372 -5.2397 -5.2397 -5.1656 -5.1656 -5.0097 -5.0097 -4.8796 -4.8796 -4.4964 -4.4964 -4.3513 -4.3513 -4.2301 -4.2301 -3.9415 -3.9415 -3.6682 -3.6682 -3.5782 -3.5782 -1.7823 -1.7823 -1.7251 -1.7251 1.8002 1.8002 2.4809 2.4809 k = 0.0478 0.2323-0.0000 ( 7769 PWs) bands (ev): -20.7784 -20.7784 -20.7381 -20.7381 -19.8661 -19.8661 -19.8117 -19.8117 -8.4602 -8.4602 -8.3264 -8.3264 -8.2244 -8.2244 -8.2037 -8.2037 -6.9764 -6.9764 -6.9587 -6.9587 -6.3934 -6.3934 -6.3832 -6.3832 -6.2844 -6.2844 -6.2627 -6.2627 -5.1970 -5.1970 -5.1225 -5.1225 -5.0301 -5.0301 -4.9125 -4.9125 -4.4846 -4.4846 -4.3635 -4.3635 -4.2288 -4.2288 -3.9414 -3.9414 -3.6732 -3.6732 -3.5837 -3.5837 -1.8267 -1.8267 -1.7600 -1.7600 1.8407 1.8407 2.5158 2.5158 k = 0.0521 0.2534-0.0000 ( 7773 PWs) bands (ev): -20.7660 -20.7660 -20.7258 -20.7258 -19.8641 -19.8641 -19.8100 -19.8100 -8.4388 -8.4388 -8.3146 -8.3146 -8.2198 -8.2198 -8.1930 -8.1930 -6.9670 -6.9670 -6.9496 -6.9496 -6.4250 -6.4250 -6.4142 -6.4142 -6.3117 -6.3117 -6.2900 -6.2900 -5.1562 -5.1562 -5.0798 -5.0798 -5.0481 -5.0481 -4.9443 -4.9443 -4.4726 -4.4726 -4.3761 -4.3761 -4.2286 -4.2286 -3.9424 -3.9424 -3.6786 -3.6786 -3.5898 -3.5898 -1.8734 -1.8734 -1.7962 -1.7962 1.8845 1.8845 2.5537 2.5537 k = 0.0565 0.2745-0.0000 ( 7775 PWs) bands (ev): -20.7527 -20.7527 -20.7125 -20.7125 -19.8620 -19.8620 -19.8082 -19.8082 -8.4159 -8.4159 -8.3036 -8.3036 -8.2143 -8.2143 -8.1792 -8.1792 -6.9570 -6.9570 -6.9400 -6.9400 -6.4574 -6.4574 -6.4462 -6.4462 -6.3412 -6.3412 -6.3193 -6.3193 -5.1267 -5.1267 -5.0563 -5.0563 -5.0404 -5.0404 -4.9697 -4.9697 -4.4609 -4.4609 -4.3891 -4.3891 -4.2296 -4.2296 -3.9450 -3.9450 -3.6844 -3.6844 -3.5963 -3.5963 -1.9222 -1.9222 -1.8335 -1.8335 1.9314 1.9314 2.5944 2.5944 k = 0.0608 0.2956-0.0000 ( 7767 PWs) bands (ev): -20.7384 -20.7384 -20.6984 -20.6984 -19.8597 -19.8597 -19.8063 -19.8063 -8.3917 -8.3917 -8.2939 -8.2939 -8.2077 -8.2077 -8.1620 -8.1620 -6.9464 -6.9464 -6.9299 -6.9299 -6.4900 -6.4900 -6.4786 -6.4786 -6.3729 -6.3729 -6.3509 -6.3509 -5.1266 -5.1266 -5.0384 -5.0384 -5.0281 -5.0281 -4.9630 -4.9630 -4.4498 -4.4498 -4.4024 -4.4024 -4.2320 -4.2320 -3.9494 -3.9494 -3.6907 -3.6907 -3.6033 -3.6033 -1.9724 -1.9724 -1.8711 -1.8711 1.9814 1.9814 2.6378 2.6378 k = 0.0651 0.3168-0.0000 ( 7775 PWs) bands (ev): -20.7232 -20.7232 -20.6833 -20.6833 -19.8573 -19.8573 -19.8043 -19.8043 -8.3664 -8.3664 -8.2852 -8.2852 -8.1998 -8.1998 -8.1415 -8.1415 -6.9354 -6.9354 -6.9195 -6.9195 -6.5228 -6.5228 -6.5112 -6.5112 -6.4073 -6.4073 -6.3851 -6.3851 -5.1438 -5.1438 -5.0586 -5.0586 -4.9904 -4.9904 -4.9237 -4.9237 -4.4397 -4.4397 -4.4160 -4.4160 -4.2356 -4.2356 -3.9560 -3.9560 -3.6975 -3.6975 -3.6109 -3.6109 -2.0236 -2.0236 -1.9087 -1.9087 2.0343 2.0343 2.6839 2.6839 k = 0.0695 0.3379-0.0000 ( 7761 PWs) bands (ev): -20.7071 -20.7071 -20.6674 -20.6674 -19.8548 -19.8548 -19.8022 -19.8022 -8.3403 -8.3403 -8.2773 -8.2773 -8.1903 -8.1903 -8.1178 -8.1178 -6.9242 -6.9242 -6.9089 -6.9089 -6.5553 -6.5553 -6.5437 -6.5437 -6.4444 -6.4444 -6.4218 -6.4218 -5.1651 -5.1651 -5.0871 -5.0871 -4.9444 -4.9444 -4.8776 -4.8776 -4.4318 -4.4318 -4.4289 -4.4289 -4.2406 -4.2406 -3.9653 -3.9653 -3.7047 -3.7047 -3.6189 -3.6189 -2.0751 -2.0751 -1.9456 -1.9456 2.0900 2.0900 2.7325 2.7325 k = 0.0738 0.3590-0.0000 ( 7761 PWs) bands (ev): -20.6903 -20.6903 -20.6506 -20.6506 -19.8522 -19.8522 -19.8000 -19.8000 -8.3138 -8.3138 -8.2700 -8.2700 -8.1786 -8.1786 -8.0914 -8.0914 -6.9129 -6.9129 -6.8985 -6.8985 -6.5873 -6.5873 -6.5759 -6.5759 -6.4841 -6.4841 -6.4612 -6.4612 -5.1872 -5.1872 -5.1155 -5.1155 -4.8966 -4.8966 -4.8296 -4.8296 -4.4443 -4.4443 -4.4237 -4.4237 -4.2469 -4.2469 -3.9775 -3.9775 -3.7124 -3.7124 -3.6273 -3.6273 -2.1264 -2.1264 -1.9814 -1.9814 2.1484 2.1484 2.7836 2.7836 k = 0.0782 0.3801-0.0000 ( 7769 PWs) bands (ev): -20.6726 -20.6726 -20.6331 -20.6331 -19.8494 -19.8494 -19.7977 -19.7977 -8.2878 -8.2878 -8.2629 -8.2629 -8.1642 -8.1642 -8.0625 -8.0625 -6.9021 -6.9021 -6.8887 -6.8887 -6.6183 -6.6183 -6.6075 -6.6075 -6.5262 -6.5262 -6.5030 -6.5030 -5.2089 -5.2089 -5.1428 -5.1428 -4.8478 -4.8478 -4.7808 -4.7808 -4.4588 -4.4588 -4.4191 -4.4191 -4.2545 -4.2545 -3.9931 -3.9931 -3.7205 -3.7205 -3.6363 -3.6363 -2.1768 -2.1768 -2.0154 -2.0154 2.2094 2.2094 2.8371 2.8371 k = 0.0825 0.4012-0.0000 ( 7767 PWs) bands (ev): -20.6542 -20.6542 -20.6148 -20.6148 -19.8466 -19.8466 -19.7954 -19.7954 -8.2629 -8.2629 -8.2555 -8.2555 -8.1462 -8.1462 -8.0313 -8.0313 -6.8923 -6.8923 -6.8805 -6.8805 -6.6479 -6.6479 -6.6379 -6.6379 -6.5704 -6.5704 -6.5468 -6.5468 -5.2297 -5.2297 -5.1685 -5.1685 -4.7986 -4.7986 -4.7316 -4.7316 -4.4736 -4.4736 -4.4172 -4.4172 -4.2634 -4.2634 -4.0124 -4.0124 -3.7290 -3.7290 -3.6457 -3.6457 -2.2258 -2.2258 -2.0471 -2.0471 2.2730 2.2730 2.8930 2.8930 k = 0.0869 0.4224-0.0000 ( 7775 PWs) bands (ev): -20.6351 -20.6351 -20.5958 -20.5958 -19.8436 -19.8436 -19.7929 -19.7929 -8.2482 -8.2482 -8.2394 -8.2394 -8.1239 -8.1239 -7.9982 -7.9982 -6.8847 -6.8847 -6.8751 -6.8751 -6.6752 -6.6752 -6.6664 -6.6664 -6.6158 -6.6158 -6.5922 -6.5922 -5.2495 -5.2495 -5.1924 -5.1924 -4.7491 -4.7491 -4.6820 -4.6820 -4.4887 -4.4887 -4.4187 -4.4187 -4.2736 -4.2736 -4.0357 -4.0357 -3.7380 -3.7380 -3.6555 -3.6555 -2.2727 -2.2727 -2.0762 -2.0762 2.3391 2.3391 2.9511 2.9511 k = 0.0912 0.4435-0.0000 ( 7761 PWs) bands (ev): -20.6153 -20.6153 -20.5762 -20.5762 -19.8406 -19.8406 -19.7904 -19.7904 -8.2400 -8.2400 -8.2185 -8.2185 -8.0972 -8.0972 -7.9634 -7.9634 -6.8816 -6.8816 -6.8750 -6.8750 -6.6992 -6.6992 -6.6918 -6.6918 -6.6606 -6.6606 -6.6379 -6.6379 -5.2680 -5.2680 -5.2143 -5.2143 -4.6997 -4.6997 -4.6324 -4.6324 -4.5041 -4.5041 -4.4240 -4.4240 -4.2851 -4.2851 -4.0634 -4.0634 -3.7473 -3.7473 -3.6657 -3.6657 -2.3169 -2.3169 -2.1021 -2.1021 2.4076 2.4076 3.0114 3.0114 k = 0.0955 0.4646-0.0000 ( 7765 PWs) bands (ev): -20.5949 -20.5949 -20.5560 -20.5560 -19.8376 -19.8376 -19.7879 -19.7879 -8.2312 -8.2312 -8.1992 -8.1992 -8.0662 -8.0662 -7.9270 -7.9270 -6.8874 -6.8874 -6.8823 -6.8823 -6.7233 -6.7233 -6.7128 -6.7128 -6.6984 -6.6984 -6.6814 -6.6814 -5.2852 -5.2852 -5.2344 -5.2344 -4.6508 -4.6508 -4.5829 -4.5829 -4.5194 -4.5194 -4.4336 -4.4336 -4.2978 -4.2978 -4.0955 -4.0955 -3.7570 -3.7570 -3.6764 -3.6764 -2.3578 -2.3578 -2.1247 -2.1247 2.4784 2.4784 3.0738 3.0738 k = 0.0999 0.4857-0.0000 ( 7757 PWs) bands (ev): -20.5740 -20.5740 -20.5352 -20.5352 -19.8344 -19.8344 -19.7852 -19.7852 -8.2215 -8.2215 -8.1812 -8.1812 -8.0317 -8.0317 -7.8892 -7.8892 -6.9078 -6.9078 -6.8980 -6.8980 -6.7587 -6.7587 -6.7385 -6.7385 -6.7158 -6.7158 -6.7081 -6.7081 -5.3010 -5.3010 -5.2525 -5.2525 -4.6043 -4.6043 -4.5342 -4.5342 -4.5323 -4.5323 -4.4478 -4.4478 -4.3117 -4.3117 -4.1322 -4.1322 -3.7671 -3.7671 -3.6875 -3.6875 -2.3947 -2.3947 -2.1436 -2.1436 2.5515 2.5515 3.1384 3.1384 k = 0.1042 0.5068-0.0000 ( 7755 PWs) bands (ev): -20.5525 -20.5525 -20.5140 -20.5140 -19.8312 -19.8312 -19.7826 -19.7826 -8.2109 -8.2109 -8.1637 -8.1637 -7.9944 -7.9944 -7.8504 -7.8504 -6.9417 -6.9417 -6.9254 -6.9254 -6.7968 -6.7968 -6.7762 -6.7762 -6.7191 -6.7191 -6.7103 -6.7103 -5.3154 -5.3154 -5.2689 -5.2689 -4.5746 -4.5746 -4.5302 -4.5302 -4.4872 -4.4872 -4.4651 -4.4651 -4.3265 -4.3265 -4.1735 -4.1735 -3.7776 -3.7776 -3.6989 -3.6989 -2.4273 -2.4273 -2.1588 -2.1588 2.6268 2.6268 3.2049 3.2049 k = 0.1086 0.5279-0.0000 ( 7759 PWs) bands (ev): -20.5306 -20.5306 -20.4923 -20.4923 -19.8280 -19.8280 -19.7799 -19.7799 -8.1993 -8.1993 -8.1462 -8.1462 -7.9550 -7.9550 -7.8107 -7.8107 -6.9861 -6.9861 -6.9636 -6.9636 -6.8322 -6.8322 -6.8131 -6.8131 -6.7139 -6.7139 -6.7036 -6.7036 -5.3286 -5.3286 -5.2836 -5.2836 -4.5816 -4.5816 -4.4944 -4.4944 -4.4918 -4.4918 -4.4354 -4.4354 -4.3416 -4.3416 -4.2193 -4.2193 -3.7884 -3.7884 -3.7107 -3.7107 -2.4552 -2.4552 -2.1702 -2.1702 2.7043 2.7043 3.2734 3.2734 k = 0.1129 0.5491-0.0000 ( 7751 PWs) bands (ev): -20.5083 -20.5083 -20.4702 -20.4702 -19.8247 -19.8247 -19.7772 -19.7772 -8.1865 -8.1865 -8.1283 -8.1283 -7.9141 -7.9141 -7.7706 -7.7706 -7.0374 -7.0374 -7.0096 -7.0096 -6.8647 -6.8647 -6.8470 -6.8470 -6.7034 -6.7034 -6.6923 -6.6923 -5.3406 -5.3406 -5.2967 -5.2967 -4.5983 -4.5983 -4.5246 -4.5246 -4.4447 -4.4447 -4.3956 -4.3956 -4.3510 -4.3510 -4.2693 -4.2693 -3.7996 -3.7996 -3.7228 -3.7228 -2.4781 -2.4781 -2.1779 -2.1779 2.7840 2.7840 3.3438 3.3438 k = 0.1173 0.5702-0.0000 ( 7747 PWs) bands (ev): -20.4857 -20.4857 -20.4478 -20.4478 -19.8214 -19.8214 -19.7745 -19.7745 -8.1726 -8.1726 -8.1098 -8.1098 -7.8722 -7.8722 -7.7308 -7.7308 -7.0928 -7.0928 -7.0600 -7.0600 -6.8951 -6.8951 -6.8782 -6.8782 -6.6896 -6.6896 -6.6783 -6.6783 -5.3515 -5.3515 -5.3084 -5.3084 -4.6174 -4.6174 -4.5607 -4.5607 -4.3970 -4.3970 -4.3915 -4.3915 -4.3260 -4.3260 -4.3230 -4.3230 -3.8110 -3.8110 -3.7352 -3.7352 -2.4959 -2.4959 -2.1819 -2.1819 2.8657 2.8657 3.4161 3.4161 k = 0.1216 0.5913-0.0000 ( 7741 PWs) bands (ev): -20.4628 -20.4628 -20.4251 -20.4251 -19.8181 -19.8181 -19.7717 -19.7717 -8.1574 -8.1574 -8.0904 -8.0904 -7.8301 -7.8301 -7.6921 -7.6921 -7.1500 -7.1500 -7.1119 -7.1119 -6.9237 -6.9237 -6.9074 -6.9074 -6.6738 -6.6738 -6.6626 -6.6626 -5.3614 -5.3614 -5.3188 -5.3188 -4.6381 -4.6381 -4.6022 -4.6022 -4.4097 -4.4097 -4.3825 -4.3825 -4.3463 -4.3463 -4.2814 -4.2814 -3.8227 -3.8227 -3.7479 -3.7479 -2.5086 -2.5086 -2.1826 -2.1826 2.9496 2.9496 3.4902 3.4902 k = 0.1259 0.6124-0.0000 ( 7753 PWs) bands (ev): -20.4397 -20.4397 -20.4022 -20.4022 -19.8147 -19.8147 -19.7690 -19.7690 -8.1409 -8.1409 -8.0701 -8.0701 -7.7887 -7.7887 -7.6561 -7.6561 -7.2069 -7.2069 -7.1627 -7.1627 -6.9509 -6.9509 -6.9350 -6.9350 -6.6567 -6.6567 -6.6456 -6.6456 -5.3705 -5.3705 -5.3280 -5.3280 -4.6626 -4.6626 -4.6465 -4.6465 -4.4460 -4.4460 -4.4277 -4.4277 -4.2993 -4.2993 -4.2348 -4.2348 -3.8347 -3.8347 -3.7609 -3.7609 -2.5163 -2.5163 -2.1802 -2.1802 3.0354 3.0354 3.5661 3.5661 k = 0.1303 0.6335-0.0000 ( 7753 PWs) bands (ev): -20.4165 -20.4165 -20.3792 -20.3792 -19.8114 -19.8114 -19.7663 -19.7663 -8.1231 -8.1231 -8.0487 -8.0487 -7.7497 -7.7497 -7.6256 -7.6256 -7.2611 -7.2611 -7.2087 -7.2087 -6.9770 -6.9770 -6.9611 -6.9611 -6.6385 -6.6385 -6.6278 -6.6278 -5.3788 -5.3788 -5.3362 -5.3362 -4.7063 -4.7063 -4.6781 -4.6781 -4.5089 -4.5089 -4.4520 -4.4520 -4.2518 -4.2518 -4.1880 -4.1880 -3.8468 -3.8468 -3.7741 -3.7741 -2.5192 -2.5192 -2.1749 -2.1749 3.1233 3.1233 3.6436 3.6436 k = 0.1346 0.6546-0.0000 ( 7757 PWs) bands (ev): -20.3932 -20.3932 -20.3562 -20.3562 -19.8081 -19.8081 -19.7635 -19.7635 -8.1039 -8.1039 -8.0261 -8.0261 -7.7159 -7.7159 -7.6052 -7.6052 -7.3091 -7.3091 -7.2450 -7.2450 -7.0018 -7.0018 -6.9857 -6.9857 -6.6198 -6.6198 -6.6094 -6.6094 -5.3866 -5.3866 -5.3435 -5.3435 -4.7626 -4.7626 -4.7035 -4.7035 -4.5750 -4.5750 -4.4767 -4.4767 -4.2049 -4.2049 -4.1418 -4.1418 -3.8592 -3.8592 -3.7874 -3.7874 -2.5178 -2.5178 -2.1670 -2.1670 3.2131 3.2131 3.7228 3.7228 k = 0.1390 0.6758-0.0000 ( 7745 PWs) bands (ev): -20.3699 -20.3699 -20.3331 -20.3331 -19.8049 -19.8049 -19.7609 -19.7609 -8.0833 -8.0833 -8.0025 -8.0025 -7.6918 -7.6918 -7.6010 -7.6010 -7.3458 -7.3458 -7.2654 -7.2654 -7.0255 -7.0255 -7.0088 -7.0088 -6.6005 -6.6005 -6.5906 -6.5906 -5.3940 -5.3940 -5.3500 -5.3500 -4.8241 -4.8241 -4.7312 -4.7312 -4.6415 -4.6415 -4.5026 -4.5026 -4.1586 -4.1586 -4.0962 -4.0962 -3.8716 -3.8716 -3.8009 -3.8009 -2.5123 -2.5123 -2.1569 -2.1569 3.3049 3.3049 3.8037 3.8037 k = 0.1433 0.6969-0.0000 ( 7753 PWs) bands (ev): -20.3467 -20.3467 -20.3101 -20.3101 -19.8016 -19.8016 -19.7582 -19.7582 -8.0613 -8.0613 -7.9779 -7.9779 -7.6842 -7.6842 -7.6167 -7.6167 -7.3644 -7.3644 -7.2661 -7.2661 -7.0480 -7.0480 -7.0299 -7.0299 -6.5809 -6.5809 -6.5715 -6.5715 -5.4011 -5.4011 -5.3560 -5.3560 -4.8895 -4.8895 -4.7671 -4.7671 -4.7027 -4.7027 -4.5297 -4.5297 -4.1131 -4.1131 -4.0514 -4.0514 -3.8841 -3.8841 -3.8145 -3.8145 -2.5032 -2.5032 -2.1448 -2.1448 3.3985 3.3985 3.8860 3.8860 k = 0.1477 0.7180-0.0000 ( 7749 PWs) bands (ev): -20.3236 -20.3236 -20.2873 -20.2873 -19.7984 -19.7984 -19.7556 -19.7556 -8.0379 -8.0379 -7.9524 -7.9524 -7.6969 -7.6969 -7.6496 -7.6496 -7.3610 -7.3610 -7.2497 -7.2497 -7.0691 -7.0691 -7.0483 -7.0483 -6.5612 -6.5612 -6.5522 -6.5522 -5.4080 -5.4080 -5.3614 -5.3614 -4.9584 -4.9584 -4.8213 -4.8213 -4.7483 -4.7483 -4.5579 -4.5579 -4.0685 -4.0685 -4.0078 -4.0078 -3.8965 -3.8965 -3.8282 -3.8282 -2.4910 -2.4910 -2.1311 -2.1311 3.4941 3.4941 3.9699 3.9699 k = 0.1520 0.7391-0.0000 ( 7739 PWs) bands (ev): -20.3007 -20.3007 -20.2646 -20.2646 -19.7953 -19.7953 -19.7530 -19.7530 -8.0133 -8.0133 -7.9268 -7.9268 -7.7267 -7.7267 -7.6930 -7.6930 -7.3389 -7.3389 -7.2240 -7.2240 -7.0883 -7.0883 -7.0619 -7.0619 -6.5413 -6.5413 -6.5328 -6.5328 -5.4150 -5.4150 -5.3664 -5.3664 -5.0302 -5.0302 -4.8906 -4.8906 -4.7809 -4.7809 -4.5872 -4.5872 -4.0249 -4.0249 -3.9661 -3.9661 -3.9080 -3.9080 -3.8418 -3.8418 -2.4761 -2.4761 -2.1161 -2.1161 3.5914 3.5914 4.0551 4.0551 k = 0.1563 0.7602-0.0000 ( 7723 PWs) bands (ev): -20.2781 -20.2781 -20.2423 -20.2423 -19.7922 -19.7922 -19.7505 -19.7505 -7.9878 -7.9878 -7.9032 -7.9032 -7.7650 -7.7650 -7.7414 -7.7414 -7.3055 -7.3055 -7.1984 -7.1984 -7.1048 -7.1048 -7.0662 -7.0662 -6.5215 -6.5215 -6.5135 -6.5135 -5.4223 -5.4223 -5.3713 -5.3713 -5.1043 -5.1043 -4.9660 -4.9660 -4.8094 -4.8094 -4.6175 -4.6175 -3.9824 -3.9824 -3.9351 -3.9351 -3.9099 -3.9099 -3.8553 -3.8553 -2.4589 -2.4589 -2.1000 -2.1000 3.6905 3.6905 4.1417 4.1417 k = 0.1607 0.7814-0.0000 ( 7717 PWs) bands (ev): -20.2559 -20.2559 -20.2203 -20.2203 -19.7892 -19.7892 -19.7480 -19.7480 -7.9625 -7.9625 -7.8907 -7.8907 -7.7993 -7.7993 -7.7886 -7.7886 -7.2682 -7.2682 -7.1836 -7.1836 -7.1163 -7.1163 -7.0534 -7.0534 -6.5018 -6.5018 -6.4943 -6.4943 -5.4300 -5.4300 -5.3760 -5.3760 -5.1804 -5.1804 -5.0442 -5.0442 -4.8365 -4.8365 -4.6487 -4.6487 -3.9417 -3.9417 -3.9392 -3.9392 -3.8776 -3.8776 -3.8682 -3.8682 -2.4400 -2.4400 -2.0830 -2.0830 3.7912 3.7912 4.2296 4.2296 k = 0.1650 0.8025-0.0000 ( 7726 PWs) bands (ev): -20.2340 -20.2340 -20.1988 -20.1988 -19.7863 -19.7863 -19.7457 -19.7457 -7.9416 -7.9416 -7.9094 -7.9094 -7.8380 -7.8380 -7.7966 -7.7966 -7.2360 -7.2360 -7.1835 -7.1835 -7.1168 -7.1168 -7.0218 -7.0218 -6.4823 -6.4823 -6.4754 -6.4754 -5.4384 -5.4384 -5.3808 -5.3808 -5.2580 -5.2580 -5.1239 -5.1239 -4.8632 -4.8632 -4.6807 -4.6807 -3.9509 -3.9509 -3.9054 -3.9054 -3.8778 -3.8778 -3.8392 -3.8392 -2.4195 -2.4195 -2.0656 -2.0656 3.8936 3.8936 4.3186 4.3186 k = 0.1694 0.8236-0.0000 ( 7732 PWs) bands (ev): -20.2128 -20.2128 -20.1777 -20.1777 -19.7835 -19.7835 -19.7434 -19.7434 -7.9547 -7.9547 -7.9402 -7.9402 -7.8590 -7.8590 -7.7738 -7.7738 -7.2204 -7.2204 -7.1922 -7.1922 -7.0967 -7.0967 -6.9783 -6.9783 -6.4631 -6.4631 -6.4566 -6.4566 -5.4477 -5.4477 -5.3859 -5.3859 -5.3366 -5.3366 -5.2046 -5.2046 -4.8896 -4.8896 -4.7134 -4.7134 -3.9631 -3.9631 -3.9003 -3.9003 -3.8572 -3.8572 -3.8013 -3.8013 -2.3980 -2.3980 -2.0478 -2.0478 3.9976 3.9976 4.4086 4.4086 k = 0.1737 0.8447-0.0000 ( 7730 PWs) bands (ev): -20.1920 -20.1920 -20.1573 -20.1573 -19.7808 -19.7808 -19.7412 -19.7412 -8.0033 -8.0033 -7.9769 -7.9769 -7.8431 -7.8431 -7.7424 -7.7424 -7.2214 -7.2214 -7.2043 -7.2043 -7.0568 -7.0568 -6.9286 -6.9286 -6.4443 -6.4443 -6.4383 -6.4383 -5.4583 -5.4583 -5.4160 -5.4160 -5.3912 -5.3912 -5.2857 -5.2857 -4.9156 -4.9156 -4.7467 -4.7467 -3.9754 -3.9754 -3.9119 -3.9119 -3.8213 -3.8213 -3.7646 -3.7646 -2.3758 -2.3758 -2.0299 -2.0299 4.1029 4.1029 4.4996 4.4996 k = 0.1781 0.8658-0.0000 ( 7736 PWs) bands (ev): -20.1720 -20.1720 -20.1374 -20.1374 -19.7782 -19.7782 -19.7390 -19.7390 -8.0538 -8.0538 -8.0238 -8.0238 -7.8133 -7.8133 -7.7074 -7.7074 -7.2300 -7.2300 -7.2176 -7.2176 -7.0068 -7.0068 -6.8756 -6.8756 -6.4259 -6.4259 -6.4204 -6.4204 -5.4963 -5.4963 -5.4701 -5.4701 -5.3973 -5.3973 -5.3668 -5.3668 -4.9411 -4.9411 -4.7802 -4.7802 -3.9875 -3.9875 -3.9244 -3.9244 -3.7857 -3.7857 -3.7293 -3.7293 -2.3532 -2.3532 -2.0121 -2.0121 4.2097 4.2097 4.5914 4.5914 k = 0.1824 0.8869-0.0000 ( 7742 PWs) bands (ev): -20.1527 -20.1527 -20.1184 -20.1184 -19.7757 -19.7757 -19.7370 -19.7370 -8.1036 -8.1036 -8.0720 -8.0720 -7.7790 -7.7790 -7.6700 -7.6700 -7.2413 -7.2413 -7.2311 -7.2311 -6.9520 -6.9520 -6.8206 -6.8206 -6.4081 -6.4081 -6.4030 -6.4030 -5.5759 -5.5759 -5.4856 -5.4856 -5.4464 -5.4464 -5.4041 -5.4041 -4.9659 -4.9659 -4.8139 -4.8139 -3.9994 -3.9994 -3.9368 -3.9368 -3.7513 -3.7513 -3.6956 -3.6956 -2.3305 -2.3305 -1.9945 -1.9945 4.3176 4.3176 4.6839 4.6839 k = 0.1867 0.9081-0.0000 ( 7738 PWs) bands (ev): -20.1341 -20.1341 -20.1001 -20.1001 -19.7733 -19.7733 -19.7350 -19.7350 -8.1519 -8.1519 -8.1192 -8.1192 -7.7422 -7.7422 -7.6308 -7.6308 -7.2531 -7.2531 -7.2443 -7.2443 -6.8948 -6.8948 -6.7644 -6.7644 -6.3908 -6.3908 -6.3863 -6.3863 -5.6555 -5.6555 -5.5334 -5.5334 -5.4953 -5.4953 -5.4120 -5.4120 -4.9896 -4.9896 -4.8474 -4.8474 -4.0110 -4.0110 -3.9490 -3.9490 -3.7185 -3.7185 -3.6635 -3.6635 -2.3079 -2.3079 -1.9772 -1.9772 4.4265 4.4265 4.7768 4.7768 k = 0.1911 0.9292-0.0000 ( 7744 PWs) bands (ev): -20.1165 -20.1165 -20.0826 -20.0826 -19.7710 -19.7710 -19.7332 -19.7332 -8.1981 -8.1981 -8.1646 -8.1646 -7.7035 -7.7035 -7.5903 -7.5903 -7.2647 -7.2647 -7.2569 -7.2569 -6.8362 -6.8362 -6.7074 -6.7074 -6.3743 -6.3743 -6.3702 -6.3702 -5.7346 -5.7346 -5.6121 -5.6121 -5.5150 -5.5150 -5.4212 -5.4212 -5.0122 -5.0122 -4.8804 -4.8804 -4.0222 -4.0222 -3.9608 -3.9608 -3.6874 -3.6874 -3.6330 -3.6330 -2.2858 -2.2858 -1.9606 -1.9606 4.5363 4.5363 4.8699 4.8699 k = 0.1954 0.9503-0.0000 ( 7732 PWs) bands (ev): -20.0998 -20.0998 -20.0661 -20.0661 -19.7689 -19.7689 -19.7315 -19.7315 -8.2420 -8.2420 -8.2078 -8.2078 -7.6634 -7.6634 -7.5486 -7.5486 -7.2756 -7.2756 -7.2686 -7.2686 -6.7766 -6.7766 -6.6501 -6.6501 -6.3585 -6.3585 -6.3549 -6.3549 -5.8128 -5.8128 -5.6914 -5.6914 -5.5359 -5.5359 -5.4321 -5.4321 -5.0332 -5.0332 -4.9127 -4.9127 -4.0329 -4.0329 -3.9721 -3.9721 -3.6581 -3.6581 -3.6044 -3.6044 -2.2643 -2.2643 -1.9446 -1.9446 4.6467 4.6467 4.9631 4.9631 k = 0.1998 0.9714-0.0000 ( 7744 PWs) bands (ev): -20.0840 -20.0840 -20.0506 -20.0506 -19.7669 -19.7669 -19.7299 -19.7299 -8.2833 -8.2833 -8.2484 -8.2484 -7.6220 -7.6220 -7.5061 -7.5061 -7.2854 -7.2854 -7.2795 -7.2795 -6.7166 -6.7166 -6.5927 -6.5927 -6.3437 -6.3437 -6.3404 -6.3404 -5.8898 -5.8898 -5.7699 -5.7699 -5.5593 -5.5593 -5.4449 -5.4449 -5.0525 -5.0525 -4.9437 -4.9437 -4.0431 -4.0431 -3.9829 -3.9829 -3.6307 -3.6307 -3.5777 -3.5777 -2.2436 -2.2436 -1.9295 -1.9295 4.7573 4.7573 5.0558 5.0558 k = 0.2041 0.9925-0.0000 ( 7736 PWs) bands (ev): -20.0694 -20.0694 -20.0362 -20.0362 -19.7650 -19.7650 -19.7284 -19.7284 -8.3218 -8.3218 -8.2863 -8.2863 -7.5797 -7.5797 -7.4633 -7.4633 -7.2938 -7.2938 -7.2893 -7.2893 -6.6563 -6.6563 -6.5355 -6.5355 -6.3297 -6.3297 -6.3268 -6.3268 -5.9652 -5.9652 -5.8470 -5.8470 -5.5856 -5.5856 -5.4599 -5.4599 -5.0698 -5.0698 -4.9730 -4.9730 -4.0528 -4.0528 -3.9930 -3.9930 -3.6053 -3.6053 -3.5529 -3.5529 -2.2240 -2.2240 -1.9153 -1.9153 4.8679 4.8679 5.0777 5.0777 k = 0.2085 1.0136-0.0000 ( 7742 PWs) bands (ev): -20.0558 -20.0558 -20.0228 -20.0228 -19.7633 -19.7633 -19.7271 -19.7271 -8.3572 -8.3572 -8.3212 -8.3212 -7.5368 -7.5368 -7.4216 -7.4216 -7.2999 -7.2999 -7.2975 -7.2975 -6.5960 -6.5960 -6.4788 -6.4788 -6.3168 -6.3168 -6.3143 -6.3143 -6.0385 -6.0385 -5.9224 -5.9224 -5.6150 -5.6150 -5.4775 -5.4775 -5.0853 -5.0853 -5.0003 -5.0003 -4.0618 -4.0618 -4.0025 -4.0025 -3.5819 -3.5819 -3.5302 -3.5302 -2.2056 -2.2056 -1.9021 -1.9021 4.9778 4.9778 5.0950 5.0950 k = 0.2128 1.0348-0.0000 ( 7742 PWs) bands (ev): -20.0435 -20.0435 -20.0107 -20.0107 -19.7618 -19.7618 -19.7258 -19.7258 -8.3895 -8.3895 -8.3531 -8.3531 -7.4939 -7.4939 -7.3841 -7.3841 -7.3056 -7.3056 -7.2992 -7.2992 -6.5358 -6.5358 -6.4231 -6.4231 -6.3052 -6.3052 -6.3029 -6.3029 -6.1091 -6.1091 -5.9956 -5.9956 -5.6474 -5.6474 -5.4978 -5.4978 -5.0986 -5.0986 -5.0252 -5.0252 -4.0701 -4.0701 -4.0112 -4.0112 -3.5606 -3.5606 -3.5095 -3.5095 -2.1886 -2.1886 -1.8900 -1.8900 5.0854 5.0854 5.1103 5.1103 k = 0.2171 1.0559-0.0000 ( 7750 PWs) bands (ev): -20.0324 -20.0324 -19.9997 -19.9997 -19.7604 -19.7604 -19.7247 -19.7247 -8.4185 -8.4185 -8.3817 -8.3817 -7.4520 -7.4520 -7.3591 -7.3591 -7.3106 -7.3106 -7.2862 -7.2862 -6.4760 -6.4760 -6.3693 -6.3693 -6.2951 -6.2951 -6.2928 -6.2928 -6.1755 -6.1755 -6.0660 -6.0660 -5.6827 -5.6827 -5.5208 -5.5208 -5.1100 -5.1100 -5.0474 -5.0474 -4.0776 -4.0776 -4.0191 -4.0191 -3.5415 -3.5415 -3.4910 -3.4910 -2.1731 -2.1731 -1.8790 -1.8790 5.1188 5.1188 5.1946 5.1946 k = 0.2215 1.0770-0.0000 ( 7742 PWs) bands (ev): -20.0225 -20.0225 -19.9900 -19.9900 -19.7592 -19.7592 -19.7237 -19.7237 -8.4442 -8.4442 -8.4070 -8.4070 -7.4131 -7.4131 -7.3509 -7.3509 -7.3122 -7.3122 -7.2559 -7.2559 -6.4169 -6.4169 -6.3194 -6.3194 -6.2901 -6.2901 -6.2843 -6.2843 -6.2319 -6.2319 -6.1328 -6.1328 -5.7208 -5.7208 -5.5462 -5.5462 -5.1195 -5.1195 -5.0667 -5.0667 -4.0844 -4.0844 -4.0262 -4.0262 -3.5247 -3.5247 -3.4746 -3.4746 -2.1592 -2.1592 -1.8693 -1.8693 5.1257 5.1257 5.2621 5.2621 k = 0.2258 1.0981-0.0000 ( 7738 PWs) bands (ev): -20.0140 -20.0140 -19.9816 -19.9816 -19.7581 -19.7581 -19.7229 -19.7229 -8.4663 -8.4663 -8.4289 -8.4289 -7.3818 -7.3818 -7.3508 -7.3508 -7.3065 -7.3065 -7.2180 -7.2180 -6.3592 -6.3592 -6.3172 -6.3172 -6.2823 -6.2823 -6.2777 -6.2777 -6.2432 -6.2432 -6.1933 -6.1933 -5.7615 -5.7615 -5.5736 -5.5736 -5.1271 -5.1271 -5.0831 -5.0831 -4.0903 -4.0903 -4.0323 -4.0323 -3.5101 -3.5101 -3.4605 -3.4605 -2.1471 -2.1471 -1.8608 -1.8608 5.1284 5.1284 5.2685 5.2685 k = 0.2302 1.1192-0.0000 ( 7736 PWs) bands (ev): -20.0068 -20.0068 -19.9745 -19.9745 -19.7572 -19.7572 -19.7222 -19.7222 -8.4850 -8.4850 -8.4473 -8.4473 -7.3644 -7.3644 -7.3529 -7.3529 -7.2883 -7.2883 -7.1796 -7.1796 -6.3657 -6.3657 -6.3049 -6.3049 -6.2817 -6.2817 -6.2690 -6.2690 -6.2399 -6.2399 -6.2049 -6.2049 -5.8044 -5.8044 -5.6020 -5.6020 -5.1331 -5.1331 -5.0966 -5.0966 -4.0953 -4.0953 -4.0376 -4.0376 -3.4979 -3.4979 -3.4487 -3.4487 -2.1368 -2.1368 -1.8537 -1.8537 5.1265 5.1265 5.2706 5.2706 k = 0.2345 1.1404-0.0000 ( 7746 PWs) bands (ev): -20.0010 -20.0010 -19.9687 -19.9687 -19.7565 -19.7565 -19.7216 -19.7216 -8.5000 -8.5000 -8.4622 -8.4622 -7.3586 -7.3586 -7.3553 -7.3553 -7.2613 -7.2613 -7.1440 -7.1440 -6.4111 -6.4111 -6.3187 -6.3187 -6.2675 -6.2675 -6.2626 -6.2626 -6.2292 -6.2292 -6.1648 -6.1648 -5.8491 -5.8491 -5.6300 -5.6300 -5.1377 -5.1377 -5.1073 -5.1073 -4.0994 -4.0994 -4.0418 -4.0418 -3.4881 -3.4881 -3.4391 -3.4391 -2.1285 -2.1285 -1.8480 -1.8480 5.1200 5.1200 5.2683 5.2683 k = 0.2389 1.1615-0.0000 ( 7750 PWs) bands (ev): -19.9965 -19.9965 -19.9644 -19.9644 -19.7560 -19.7560 -19.7212 -19.7212 -8.5114 -8.5114 -8.4734 -8.4734 -7.3580 -7.3580 -7.3569 -7.3569 -7.2345 -7.2345 -7.1138 -7.1138 -6.4482 -6.4482 -6.3591 -6.3591 -6.2590 -6.2590 -6.2580 -6.2580 -6.1817 -6.1817 -6.1287 -6.1287 -5.8951 -5.8951 -5.6556 -5.6556 -5.1408 -5.1408 -5.1153 -5.1153 -4.1025 -4.1025 -4.0451 -4.0451 -3.4806 -3.4806 -3.4320 -3.4320 -2.1221 -2.1221 -1.8436 -1.8436 5.1086 5.1086 5.2614 5.2614 k = 0.2432 1.1826-0.0000 ( 7748 PWs) bands (ev): -19.9936 -19.9936 -19.9615 -19.9615 -19.7556 -19.7556 -19.7209 -19.7209 -8.5191 -8.5191 -8.4810 -8.4810 -7.3593 -7.3593 -7.3572 -7.3572 -7.2133 -7.2133 -7.0915 -7.0915 -6.4746 -6.4746 -6.3902 -6.3902 -6.2556 -6.2556 -6.2549 -6.2549 -6.1318 -6.1318 -6.1011 -6.1011 -5.9404 -5.9404 -5.6759 -5.6759 -5.1427 -5.1427 -5.1207 -5.1207 -4.1046 -4.1046 -4.0473 -4.0473 -3.4757 -3.4757 -3.4271 -3.4271 -2.1178 -2.1178 -1.8407 -1.8407 5.0923 5.0923 5.2499 5.2499 k = 0.2475 1.2037-0.0000 ( 7748 PWs) bands (ev): -19.9920 -19.9920 -19.9600 -19.9600 -19.7555 -19.7555 -19.7207 -19.7207 -8.5231 -8.5231 -8.4849 -8.4849 -7.3600 -7.3600 -7.3575 -7.3575 -7.2014 -7.2014 -7.0793 -7.0793 -6.4886 -6.4886 -6.4076 -6.4076 -6.2540 -6.2540 -6.2534 -6.2534 -6.0911 -6.0911 -6.0856 -6.0856 -5.9785 -5.9785 -5.6877 -5.6877 -5.1436 -5.1436 -5.1235 -5.1235 -4.1057 -4.1057 -4.0484 -4.0484 -3.4732 -3.4732 -3.4247 -3.4247 -2.1155 -2.1155 -1.8391 -1.8391 5.0709 5.0709 5.2336 5.2336 k = 0.2519 1.2248-0.0000 ( 7736 PWs) bands (ev): -19.9919 -19.9919 -19.9599 -19.9599 -19.7554 -19.7554 -19.7207 -19.7207 -8.5233 -8.5233 -8.4851 -8.4851 -7.3601 -7.3601 -7.3575 -7.3575 -7.2006 -7.2006 -7.0785 -7.0785 -6.4895 -6.4895 -6.4087 -6.4087 -6.2539 -6.2539 -6.2533 -6.2533 -6.0876 -6.0876 -6.0846 -6.0846 -5.9817 -5.9817 -5.6884 -5.6884 -5.1436 -5.1436 -5.1237 -5.1237 -4.1058 -4.1058 -4.0485 -4.0485 -3.4731 -3.4731 -3.4246 -3.4246 -2.1154 -2.1154 -1.8390 -1.8390 5.0445 5.0445 5.2126 5.2126 k = 0.2562 1.2459-0.0000 ( 7724 PWs) bands (ev): -19.9933 -19.9933 -19.9612 -19.9612 -19.7556 -19.7556 -19.7208 -19.7208 -8.5198 -8.5198 -8.4817 -8.4817 -7.3594 -7.3594 -7.3572 -7.3572 -7.2111 -7.2111 -7.0892 -7.0892 -6.4772 -6.4772 -6.3933 -6.3933 -6.2553 -6.2553 -6.2546 -6.2546 -6.1256 -6.1256 -6.0983 -6.0983 -5.9460 -5.9460 -5.6779 -5.6779 -5.1427 -5.1427 -5.1211 -5.1211 -4.1049 -4.1049 -4.0475 -4.0475 -3.4755 -3.4755 -3.4269 -3.4269 -2.1173 -2.1173 -1.8404 -1.8404 5.0133 5.0133 5.1870 5.1870 k = 0.2606 1.2671-0.0000 ( 7730 PWs) bands (ev): -19.9961 -19.9961 -19.9639 -19.9639 -19.7559 -19.7559 -19.7211 -19.7211 -8.5126 -8.5126 -8.4746 -8.4746 -7.3582 -7.3582 -7.3569 -7.3569 -7.2312 -7.2312 -7.1103 -7.1103 -6.4523 -6.4523 -6.3638 -6.3638 -6.2584 -6.2584 -6.2575 -6.2575 -6.1751 -6.1751 -6.1246 -6.1246 -5.9009 -5.9009 -5.6584 -5.6584 -5.1409 -5.1409 -5.1160 -5.1160 -4.1030 -4.1030 -4.0455 -4.0455 -3.4804 -3.4804 -3.4316 -3.4316 -2.1213 -2.1213 -1.8431 -1.8431 4.9775 4.9775 5.1568 5.1568 k = 0.2606 1.2671-0.0000 ( 7730 PWs) bands (ev): -19.9961 -19.9961 -19.9639 -19.9639 -19.7559 -19.7559 -19.7211 -19.7211 -8.5126 -8.5126 -8.4746 -8.4746 -7.3582 -7.3582 -7.3569 -7.3569 -7.2312 -7.2312 -7.1103 -7.1103 -6.4523 -6.4523 -6.3638 -6.3638 -6.2584 -6.2584 -6.2575 -6.2575 -6.1751 -6.1751 -6.1246 -6.1246 -5.9009 -5.9009 -5.6584 -5.6584 -5.1409 -5.1409 -5.1160 -5.1160 -4.1030 -4.1030 -4.0455 -4.0455 -3.4804 -3.4804 -3.4316 -3.4316 -2.1213 -2.1213 -1.8431 -1.8431 4.9775 4.9775 5.1568 5.1568 k = 0.2389 1.2671-0.0000 ( 7732 PWs) bands (ev): -19.9954 -19.9954 -19.9633 -19.9633 -19.7559 -19.7559 -19.7210 -19.7210 -8.5144 -8.5144 -8.4763 -8.4763 -7.3584 -7.3584 -7.3570 -7.3570 -7.2265 -7.2265 -7.1053 -7.1053 -6.4583 -6.4583 -6.3708 -6.3708 -6.2576 -6.2576 -6.2568 -6.2568 -6.1647 -6.1647 -6.1185 -6.1185 -5.9102 -5.9102 -5.6629 -5.6629 -5.1413 -5.1413 -5.1173 -5.1173 -4.1035 -4.1035 -4.0460 -4.0460 -3.4792 -3.4792 -3.4304 -3.4304 -2.1204 -2.1204 -1.8424 -1.8424 4.9854 4.9854 5.1636 5.1636 k = 0.2171 1.2671-0.0000 ( 7742 PWs) bands (ev): -19.9948 -19.9948 -19.9627 -19.9627 -19.7558 -19.7558 -19.7210 -19.7210 -8.5160 -8.5160 -8.4779 -8.4779 -7.3587 -7.3587 -7.3571 -7.3571 -7.2221 -7.2221 -7.1006 -7.1006 -6.4638 -6.4638 -6.3773 -6.3773 -6.2570 -6.2570 -6.2562 -6.2562 -6.1545 -6.1545 -6.1127 -6.1127 -5.9195 -5.9195 -5.6672 -5.6672 -5.1418 -5.1418 -5.1184 -5.1184 -4.1039 -4.1039 -4.0465 -4.0465 -3.4781 -3.4781 -3.4294 -3.4294 -2.1195 -2.1195 -1.8418 -1.8418 4.9937 4.9937 5.1705 5.1705 k = 0.1954 1.2671-0.0000 ( 7747 PWs) bands (ev): -19.9942 -19.9942 -19.9621 -19.9621 -19.7557 -19.7557 -19.7209 -19.7209 -8.5174 -8.5174 -8.4794 -8.4794 -7.3590 -7.3590 -7.3572 -7.3572 -7.2180 -7.2180 -7.0964 -7.0964 -6.4689 -6.4689 -6.3833 -6.3833 -6.2563 -6.2563 -6.2556 -6.2556 -6.1444 -6.1444 -6.1073 -6.1073 -5.9287 -5.9287 -5.6712 -5.6712 -5.1421 -5.1421 -5.1195 -5.1195 -4.1043 -4.1043 -4.0469 -4.0469 -3.4771 -3.4771 -3.4284 -3.4284 -2.1187 -2.1187 -1.8413 -1.8413 5.0021 5.0021 5.1775 5.1775 k = 0.1737 1.2671-0.0000 ( 7751 PWs) bands (ev): -19.9937 -19.9937 -19.9616 -19.9616 -19.7557 -19.7557 -19.7209 -19.7209 -8.5188 -8.5188 -8.4807 -8.4807 -7.3592 -7.3592 -7.3572 -7.3572 -7.2143 -7.2143 -7.0925 -7.0925 -6.4734 -6.4734 -6.3888 -6.3888 -6.2558 -6.2558 -6.2551 -6.2551 -6.1346 -6.1346 -6.1025 -6.1025 -5.9378 -5.9378 -5.6748 -5.6748 -5.1425 -5.1425 -5.1204 -5.1204 -4.1046 -4.1046 -4.0472 -4.0472 -3.4762 -3.4762 -3.4276 -3.4276 -2.1179 -2.1179 -1.8408 -1.8408 5.0104 5.0104 5.1843 5.1843 k = 0.1520 1.2671-0.0000 ( 7745 PWs) bands (ev): -19.9933 -19.9933 -19.9612 -19.9612 -19.7556 -19.7556 -19.7208 -19.7208 -8.5199 -8.5199 -8.4818 -8.4818 -7.3594 -7.3594 -7.3573 -7.3573 -7.2109 -7.2109 -7.0890 -7.0890 -6.4774 -6.4774 -6.3937 -6.3937 -6.2553 -6.2553 -6.2546 -6.2546 -6.1250 -6.1250 -6.0981 -6.0981 -5.9466 -5.9466 -5.6781 -5.6781 -5.1428 -5.1428 -5.1212 -5.1212 -4.1049 -4.1049 -4.0475 -4.0475 -3.4754 -3.4754 -3.4268 -3.4268 -2.1173 -2.1173 -1.8403 -1.8403 5.0185 5.0185 5.1909 5.1909 k = 0.1303 1.2671-0.0000 ( 7744 PWs) bands (ev): -19.9929 -19.9929 -19.9608 -19.9608 -19.7555 -19.7555 -19.7208 -19.7208 -8.5209 -8.5209 -8.4828 -8.4828 -7.3596 -7.3596 -7.3573 -7.3573 -7.2079 -7.2079 -7.0860 -7.0860 -6.4809 -6.4809 -6.3980 -6.3980 -6.2548 -6.2548 -6.2543 -6.2543 -6.1158 -6.1158 -6.0942 -6.0942 -5.9551 -5.9551 -5.6811 -5.6811 -5.1430 -5.1430 -5.1220 -5.1220 -4.1052 -4.1052 -4.0478 -4.0478 -3.4748 -3.4748 -3.4262 -3.4262 -2.1167 -2.1167 -1.8400 -1.8400 5.0260 5.0260 5.1969 5.1969 k = 0.1086 1.2671-0.0000 ( 7747 PWs) bands (ev): -19.9925 -19.9925 -19.9605 -19.9605 -19.7555 -19.7555 -19.7208 -19.7208 -8.5218 -8.5218 -8.4836 -8.4836 -7.3598 -7.3598 -7.3574 -7.3574 -7.2054 -7.2054 -7.0834 -7.0834 -6.4839 -6.4839 -6.4017 -6.4017 -6.2545 -6.2545 -6.2540 -6.2540 -6.1071 -6.1071 -6.0909 -6.0909 -5.9632 -5.9632 -5.6836 -5.6836 -5.1432 -5.1432 -5.1226 -5.1226 -4.1054 -4.1054 -4.0481 -4.0481 -3.4742 -3.4742 -3.4256 -3.4256 -2.1163 -2.1163 -1.8397 -1.8397 5.0328 5.0328 5.2024 5.2024 k = 0.0869 1.2671-0.0000 ( 7751 PWs) bands (ev): -19.9923 -19.9923 -19.9602 -19.9602 -19.7555 -19.7555 -19.7207 -19.7207 -8.5225 -8.5225 -8.4843 -8.4843 -7.3599 -7.3599 -7.3574 -7.3574 -7.2033 -7.2033 -7.0812 -7.0812 -6.4864 -6.4864 -6.4047 -6.4047 -6.2542 -6.2542 -6.2537 -6.2537 -6.0993 -6.0993 -6.0881 -6.0881 -5.9707 -5.9707 -5.6857 -5.6857 -5.1434 -5.1434 -5.1230 -5.1230 -4.1056 -4.1056 -4.0482 -4.0482 -3.4737 -3.4737 -3.4252 -3.4252 -2.1159 -2.1159 -1.8394 -1.8394 5.0387 5.0387 5.2070 5.2070 k = 0.0651 1.2671-0.0000 ( 7750 PWs) bands (ev): -19.9921 -19.9921 -19.9600 -19.9600 -19.7554 -19.7554 -19.7207 -19.7207 -8.5230 -8.5230 -8.4848 -8.4848 -7.3600 -7.3600 -7.3575 -7.3575 -7.2016 -7.2016 -7.0796 -7.0796 -6.4883 -6.4883 -6.4071 -6.4071 -6.2540 -6.2540 -6.2535 -6.2535 -6.0924 -6.0924 -6.0859 -6.0859 -5.9772 -5.9772 -5.6874 -5.6874 -5.1436 -5.1436 -5.1234 -5.1234 -4.1057 -4.1057 -4.0484 -4.0484 -3.4733 -3.4733 -3.4248 -3.4248 -2.1156 -2.1156 -1.8392 -1.8392 5.0435 5.0435 5.2108 5.2108 k = 0.0434 1.2671-0.0000 ( 7739 PWs) bands (ev): -19.9919 -19.9919 -19.9599 -19.9599 -19.7554 -19.7554 -19.7207 -19.7207 -8.5234 -8.5234 -8.4852 -8.4852 -7.3601 -7.3601 -7.3575 -7.3575 -7.2004 -7.2004 -7.0783 -7.0783 -6.4896 -6.4896 -6.4089 -6.4089 -6.2538 -6.2538 -6.2533 -6.2533 -6.0870 -6.0870 -6.0844 -6.0844 -5.9823 -5.9823 -5.6886 -5.6886 -5.1436 -5.1436 -5.1237 -5.1237 -4.1058 -4.1058 -4.0485 -4.0485 -3.4730 -3.4730 -3.4245 -3.4245 -2.1154 -2.1154 -1.8390 -1.8390 5.0470 5.0470 5.2136 5.2136 k = 0.0217 1.2671-0.0000 ( 7747 PWs) bands (ev): -19.9918 -19.9918 -19.9598 -19.9598 -19.7554 -19.7554 -19.7207 -19.7207 -8.5236 -8.5236 -8.4854 -8.4854 -7.3601 -7.3601 -7.3576 -7.3576 -7.1997 -7.1997 -7.0776 -7.0776 -6.4905 -6.4905 -6.4099 -6.4099 -6.2537 -6.2537 -6.2533 -6.2533 -6.0835 -6.0835 -6.0834 -6.0834 -5.9857 -5.9857 -5.6893 -5.6893 -5.1437 -5.1437 -5.1239 -5.1239 -4.1059 -4.1059 -4.0486 -4.0486 -3.4729 -3.4729 -3.4244 -3.4244 -2.1152 -2.1152 -1.8390 -1.8390 5.0492 5.0492 5.2152 5.2152 k = 0.0000 1.2671-0.0000 ( 7754 PWs) bands (ev): -19.9918 -19.9918 -19.9597 -19.9597 -19.7554 -19.7554 -19.7207 -19.7207 -8.5237 -8.5237 -8.4855 -8.4855 -7.3602 -7.3602 -7.3576 -7.3576 -7.1995 -7.1995 -7.0774 -7.0774 -6.4907 -6.4907 -6.4103 -6.4103 -6.2537 -6.2537 -6.2533 -6.2533 -6.0831 -6.0831 -6.0822 -6.0822 -5.9869 -5.9869 -5.6895 -5.6895 -5.1437 -5.1437 -5.1239 -5.1239 -4.1059 -4.1059 -4.0486 -4.0486 -3.4728 -3.4728 -3.4244 -3.4244 -2.1152 -2.1152 -1.8389 -1.8389 5.0499 5.0499 5.2158 5.2158 k = 0.0000 1.2671-0.0000 ( 7754 PWs) bands (ev): -19.9918 -19.9918 -19.9597 -19.9597 -19.7554 -19.7554 -19.7207 -19.7207 -8.5237 -8.5237 -8.4855 -8.4855 -7.3602 -7.3602 -7.3576 -7.3576 -7.1995 -7.1995 -7.0774 -7.0774 -6.4907 -6.4907 -6.4103 -6.4103 -6.2537 -6.2537 -6.2533 -6.2533 -6.0831 -6.0831 -6.0822 -6.0822 -5.9869 -5.9869 -5.6895 -5.6895 -5.1437 -5.1437 -5.1239 -5.1239 -4.1059 -4.1059 -4.0486 -4.0486 -3.4728 -3.4728 -3.4244 -3.4244 -2.1152 -2.1152 -1.8389 -1.8389 5.0499 5.0499 5.2158 5.2158 k = 0.0000 1.2671 0.0213 ( 7746 PWs) bands (ev): -19.9917 -19.9917 -19.9599 -19.9599 -19.7553 -19.7553 -19.7208 -19.7208 -8.5236 -8.5236 -8.4856 -8.4856 -7.3601 -7.3601 -7.3576 -7.3576 -7.1991 -7.1991 -7.0778 -7.0778 -6.4906 -6.4906 -6.4106 -6.4106 -6.2537 -6.2537 -6.2532 -6.2532 -6.0831 -6.0831 -6.0822 -6.0822 -5.9858 -5.9858 -5.6904 -5.6904 -5.1437 -5.1437 -5.1240 -5.1240 -4.1057 -4.1057 -4.0488 -4.0488 -3.4727 -3.4727 -3.4245 -3.4245 -2.1143 -2.1143 -1.8398 -1.8398 5.0504 5.0504 5.2152 5.2152 k = 0.0000 1.2671 0.0425 ( 7750 PWs) bands (ev): -19.9914 -19.9914 -19.9602 -19.9602 -19.7549 -19.7549 -19.7211 -19.7211 -8.5232 -8.5232 -8.4860 -8.4860 -7.3601 -7.3601 -7.3576 -7.3576 -7.1982 -7.1982 -7.0791 -7.0791 -6.4900 -6.4900 -6.4115 -6.4115 -6.2537 -6.2537 -6.2532 -6.2532 -6.0832 -6.0832 -6.0823 -6.0823 -5.9827 -5.9827 -5.6930 -5.6930 -5.1435 -5.1435 -5.1242 -5.1242 -4.1052 -4.1052 -4.0494 -4.0494 -3.4722 -3.4722 -3.4249 -3.4249 -2.1116 -2.1116 -1.8423 -1.8423 5.0519 5.0519 5.2135 5.2135 k = 0.0000 1.2671 0.0638 ( 7742 PWs) bands (ev): -19.9910 -19.9910 -19.9608 -19.9608 -19.7543 -19.7543 -19.7216 -19.7216 -8.5226 -8.5226 -8.4866 -8.4866 -7.3600 -7.3600 -7.3576 -7.3576 -7.1965 -7.1965 -7.0813 -7.0813 -6.4892 -6.4892 -6.4129 -6.4129 -6.2537 -6.2537 -6.2532 -6.2532 -6.0832 -6.0832 -6.0823 -6.0823 -5.9775 -5.9775 -5.6972 -5.6972 -5.1432 -5.1432 -5.1245 -5.1245 -4.1044 -4.1044 -4.0503 -4.0503 -3.4713 -3.4713 -3.4256 -3.4256 -2.1072 -2.1072 -1.8464 -1.8464 5.0542 5.0542 5.2107 5.2107 k = 0.0000 1.2671 0.0850 ( 7746 PWs) bands (ev): -19.9904 -19.9904 -19.9616 -19.9616 -19.7535 -19.7535 -19.7222 -19.7222 -8.5218 -8.5218 -8.4875 -8.4875 -7.3599 -7.3599 -7.3576 -7.3576 -7.1943 -7.1943 -7.0843 -7.0843 -6.4879 -6.4879 -6.4150 -6.4150 -6.2537 -6.2537 -6.2533 -6.2533 -6.0832 -6.0832 -6.0824 -6.0824 -5.9703 -5.9703 -5.7031 -5.7031 -5.1429 -5.1429 -5.1250 -5.1250 -4.1032 -4.1032 -4.0516 -4.0516 -3.4702 -3.4702 -3.4266 -3.4266 -2.1011 -2.1011 -1.8522 -1.8522 5.0575 5.0575 5.2069 5.2069 k = 0.0000 1.2671 0.1063 ( 7744 PWs) bands (ev): -19.9896 -19.9896 -19.9626 -19.9626 -19.7524 -19.7524 -19.7231 -19.7231 -8.5208 -8.5208 -8.4885 -8.4885 -7.3598 -7.3598 -7.3576 -7.3576 -7.1914 -7.1914 -7.0881 -7.0881 -6.4863 -6.4863 -6.4176 -6.4176 -6.2537 -6.2537 -6.2532 -6.2532 -6.0832 -6.0832 -6.0825 -6.0825 -5.9614 -5.9614 -5.7106 -5.7106 -5.1424 -5.1424 -5.1256 -5.1256 -4.1018 -4.1018 -4.0533 -4.0533 -3.4688 -3.4688 -3.4278 -3.4278 -2.0934 -2.0934 -1.8595 -1.8595 5.0617 5.0617 5.2020 5.2020 k = 0.0000 1.2671 0.1276 ( 7742 PWs) bands (ev): -19.9887 -19.9887 -19.9637 -19.9637 -19.7511 -19.7511 -19.7241 -19.7241 -8.5196 -8.5196 -8.4898 -8.4898 -7.3597 -7.3597 -7.3576 -7.3576 -7.1879 -7.1879 -7.0926 -7.0926 -6.4843 -6.4843 -6.4206 -6.4206 -6.2537 -6.2537 -6.2532 -6.2532 -6.0832 -6.0832 -6.0826 -6.0826 -5.9508 -5.9508 -5.7195 -5.7195 -5.1419 -5.1419 -5.1263 -5.1263 -4.1000 -4.1000 -4.0553 -4.0553 -3.4671 -3.4671 -3.4292 -3.4292 -2.0842 -2.0842 -1.8682 -1.8682 5.0667 5.0667 5.1962 5.1962 k = 0.0000 1.2671 0.1488 ( 7738 PWs) bands (ev): -19.9876 -19.9876 -19.9651 -19.9651 -19.7497 -19.7497 -19.7252 -19.7252 -8.5182 -8.5182 -8.4913 -8.4913 -7.3595 -7.3595 -7.3576 -7.3576 -7.1839 -7.1839 -7.0976 -7.0976 -6.4819 -6.4819 -6.4241 -6.4241 -6.2537 -6.2537 -6.2533 -6.2533 -6.0832 -6.0832 -6.0827 -6.0827 -5.9388 -5.9388 -5.7299 -5.7299 -5.1412 -5.1412 -5.1271 -5.1271 -4.0980 -4.0980 -4.0575 -4.0575 -3.4651 -3.4651 -3.4309 -3.4309 -2.0736 -2.0736 -1.8783 -1.8783 5.0725 5.0725 5.1896 5.1896 k = 0.0000 1.2671 0.1701 ( 7738 PWs) bands (ev): -19.9864 -19.9864 -19.9666 -19.9666 -19.7481 -19.7481 -19.7266 -19.7266 -8.5167 -8.5167 -8.4929 -8.4929 -7.3594 -7.3594 -7.3577 -7.3577 -7.1793 -7.1793 -7.1033 -7.1033 -6.4791 -6.4791 -6.4280 -6.4280 -6.2537 -6.2537 -6.2533 -6.2533 -6.0832 -6.0832 -6.0827 -6.0827 -5.9255 -5.9255 -5.7416 -5.7416 -5.1404 -5.1404 -5.1280 -5.1280 -4.0957 -4.0957 -4.0601 -4.0601 -3.4630 -3.4630 -3.4328 -3.4328 -2.0618 -2.0618 -1.8897 -1.8897 5.0790 5.0790 5.1823 5.1823 k = 0.0000 1.2671 0.1913 ( 7740 PWs) bands (ev): -19.9851 -19.9851 -19.9681 -19.9681 -19.7464 -19.7464 -19.7280 -19.7280 -8.5150 -8.5150 -8.4947 -8.4947 -7.3592 -7.3592 -7.3577 -7.3577 -7.1742 -7.1742 -7.1094 -7.1094 -6.4759 -6.4759 -6.4321 -6.4321 -6.2536 -6.2536 -6.2533 -6.2533 -6.0832 -6.0832 -6.0828 -6.0828 -5.9112 -5.9112 -5.7544 -5.7544 -5.1396 -5.1396 -5.1289 -5.1289 -4.0932 -4.0932 -4.0628 -4.0628 -3.4607 -3.4607 -3.4349 -3.4349 -2.0489 -2.0489 -1.9021 -1.9021 5.0862 5.0862 5.1743 5.1743 k = 0.0000 1.2671 0.2126 ( 7744 PWs) bands (ev): -19.9836 -19.9836 -19.9698 -19.9698 -19.7446 -19.7446 -19.7296 -19.7296 -8.5131 -8.5131 -8.4966 -8.4966 -7.3590 -7.3590 -7.3578 -7.3578 -7.1686 -7.1686 -7.1158 -7.1158 -6.4724 -6.4724 -6.4366 -6.4366 -6.2536 -6.2536 -6.2534 -6.2534 -6.0831 -6.0831 -6.0828 -6.0828 -5.8960 -5.8960 -5.7682 -5.7682 -5.1387 -5.1387 -5.1300 -5.1300 -4.0905 -4.0905 -4.0657 -4.0657 -3.4582 -3.4582 -3.4372 -3.4372 -2.0352 -2.0352 -1.9154 -1.9154 5.0940 5.0940 5.1658 5.1658 k = 0.0000 1.2671 0.2338 ( 7744 PWs) bands (ev): -19.9821 -19.9821 -19.9716 -19.9716 -19.7427 -19.7427 -19.7313 -19.7313 -8.5112 -8.5112 -8.4986 -8.4986 -7.3588 -7.3588 -7.3579 -7.3579 -7.1627 -7.1627 -7.1225 -7.1225 -6.4685 -6.4685 -6.4412 -6.4412 -6.2536 -6.2536 -6.2534 -6.2534 -6.0831 -6.0831 -6.0829 -6.0829 -5.8801 -5.8801 -5.7830 -5.7830 -5.1377 -5.1377 -5.1311 -5.1311 -4.0876 -4.0876 -4.0688 -4.0688 -3.4556 -3.4556 -3.4396 -3.4396 -2.0207 -2.0207 -1.9295 -1.9295 5.1023 5.1023 5.1569 5.1569 k = 0.0000 1.2671 0.2551 ( 7744 PWs) bands (ev): -19.9804 -19.9804 -19.9733 -19.9733 -19.7408 -19.7408 -19.7331 -19.7331 -8.5091 -8.5091 -8.5007 -8.5007 -7.3587 -7.3587 -7.3581 -7.3581 -7.1564 -7.1564 -7.1293 -7.1293 -6.4643 -6.4643 -6.4459 -6.4459 -6.2536 -6.2536 -6.2534 -6.2534 -6.0831 -6.0831 -6.0829 -6.0829 -5.8638 -5.8638 -5.7984 -5.7984 -5.1366 -5.1366 -5.1322 -5.1322 -4.0846 -4.0846 -4.0719 -4.0719 -3.4529 -3.4529 -3.4422 -3.4422 -2.0057 -2.0057 -1.9443 -1.9443 5.1110 5.1110 5.1478 5.1478 k = 0.0000 1.2671 0.2764 ( 7754 PWs) bands (ev): -19.9787 -19.9787 -19.9751 -19.9751 -19.7388 -19.7388 -19.7350 -19.7350 -8.5071 -8.5071 -8.5028 -8.5028 -7.3585 -7.3585 -7.3582 -7.3582 -7.1499 -7.1499 -7.1362 -7.1362 -6.4599 -6.4599 -6.4506 -6.4506 -6.2536 -6.2536 -6.2535 -6.2535 -6.0831 -6.0831 -6.0830 -6.0830 -5.8473 -5.8473 -5.8144 -5.8144 -5.1356 -5.1356 -5.1333 -5.1333 -4.0815 -4.0815 -4.0751 -4.0751 -3.4502 -3.4502 -3.4448 -3.4448 -1.9904 -1.9904 -1.9595 -1.9595 5.1200 5.1200 5.1385 5.1385 k = 0.0000 1.2671 0.2976 ( 7756 PWs) bands (ev): -19.9770 -19.9770 -19.9769 -19.9769 -19.7369 -19.7369 -19.7369 -19.7369 -8.5049 -8.5049 -8.5049 -8.5049 -7.3584 -7.3584 -7.3584 -7.3584 -7.1431 -7.1431 -7.1431 -7.1431 -6.4553 -6.4553 -6.4553 -6.4553 -6.2536 -6.2536 -6.2536 -6.2536 -6.0830 -6.0830 -6.0830 -6.0830 -5.8308 -5.8308 -5.8308 -5.8308 -5.1344 -5.1344 -5.1344 -5.1344 -4.0783 -4.0783 -4.0783 -4.0783 -3.4475 -3.4475 -3.4475 -3.4475 -1.9749 -1.9749 -1.9749 -1.9749 5.1292 5.1292 5.1292 5.1292 k = 0.0000 1.2671 0.2976 ( 7756 PWs) bands (ev): -19.9770 -19.9770 -19.9769 -19.9769 -19.7369 -19.7369 -19.7369 -19.7369 -8.5049 -8.5049 -8.5049 -8.5049 -7.3584 -7.3584 -7.3584 -7.3584 -7.1431 -7.1431 -7.1431 -7.1431 -6.4553 -6.4553 -6.4553 -6.4553 -6.2536 -6.2536 -6.2536 -6.2536 -6.0830 -6.0830 -6.0830 -6.0830 -5.8308 -5.8308 -5.8308 -5.8308 -5.1344 -5.1344 -5.1344 -5.1344 -4.0783 -4.0783 -4.0783 -4.0783 -3.4475 -3.4475 -3.4475 -3.4475 -1.9749 -1.9749 -1.9749 -1.9749 5.1292 5.1292 5.1292 5.1292 k = 0.0217 1.2671 0.2976 ( 7742 PWs) bands (ev): -19.9770 -19.9770 -19.9769 -19.9769 -19.7369 -19.7369 -19.7369 -19.7369 -8.5049 -8.5049 -8.5048 -8.5048 -7.3583 -7.3583 -7.3583 -7.3583 -7.1433 -7.1433 -7.1433 -7.1433 -6.4550 -6.4550 -6.4550 -6.4550 -6.2535 -6.2535 -6.2535 -6.2535 -6.0835 -6.0835 -6.0835 -6.0835 -5.8304 -5.8304 -5.8304 -5.8304 -5.1344 -5.1344 -5.1344 -5.1344 -4.0783 -4.0783 -4.0783 -4.0783 -3.4476 -3.4476 -3.4475 -3.4475 -1.9749 -1.9749 -1.9749 -1.9749 5.1285 5.1285 5.1286 5.1286 k = 0.0434 1.2671 0.2976 ( 7744 PWs) bands (ev): -19.9771 -19.9771 -19.9770 -19.9770 -19.7369 -19.7369 -19.7369 -19.7369 -8.5046 -8.5046 -8.5046 -8.5046 -7.3583 -7.3583 -7.3583 -7.3583 -7.1441 -7.1441 -7.1440 -7.1440 -6.4541 -6.4541 -6.4541 -6.4541 -6.2536 -6.2536 -6.2536 -6.2536 -6.0849 -6.0849 -6.0849 -6.0849 -5.8291 -5.8291 -5.8291 -5.8291 -5.1343 -5.1343 -5.1343 -5.1343 -4.0783 -4.0783 -4.0782 -4.0782 -3.4477 -3.4477 -3.4477 -3.4477 -1.9750 -1.9750 -1.9750 -1.9750 5.1266 5.1266 5.1266 5.1266 k = 0.0651 1.2671 0.2976 ( 7746 PWs) bands (ev): -19.9772 -19.9772 -19.9772 -19.9772 -19.7370 -19.7370 -19.7369 -19.7369 -8.5043 -8.5043 -8.5042 -8.5042 -7.3582 -7.3582 -7.3582 -7.3582 -7.1453 -7.1453 -7.1453 -7.1453 -6.4526 -6.4526 -6.4526 -6.4526 -6.2538 -6.2538 -6.2538 -6.2538 -6.0872 -6.0872 -6.0872 -6.0872 -5.8271 -5.8271 -5.8271 -5.8271 -5.1341 -5.1341 -5.1341 -5.1341 -4.0782 -4.0782 -4.0781 -4.0781 -3.4480 -3.4480 -3.4479 -3.4479 -1.9752 -1.9752 -1.9752 -1.9752 5.1233 5.1233 5.1233 5.1233 k = 0.0869 1.2671 0.2976 ( 7740 PWs) bands (ev): -19.9774 -19.9774 -19.9774 -19.9774 -19.7370 -19.7370 -19.7369 -19.7369 -8.5037 -8.5037 -8.5037 -8.5037 -7.3581 -7.3581 -7.3581 -7.3581 -7.1470 -7.1470 -7.1470 -7.1470 -6.4504 -6.4504 -6.4504 -6.4504 -6.2540 -6.2540 -6.2540 -6.2540 -6.0904 -6.0904 -6.0904 -6.0904 -5.8243 -5.8243 -5.8243 -5.8243 -5.1339 -5.1339 -5.1339 -5.1339 -4.0780 -4.0780 -4.0780 -4.0780 -3.4483 -3.4483 -3.4483 -3.4483 -1.9755 -1.9755 -1.9754 -1.9754 5.1190 5.1190 5.1190 5.1190 k = 0.1086 1.2671 0.2976 ( 7736 PWs) bands (ev): -19.9777 -19.9777 -19.9776 -19.9776 -19.7370 -19.7370 -19.7369 -19.7369 -8.5030 -8.5030 -8.5030 -8.5030 -7.3580 -7.3580 -7.3580 -7.3580 -7.1491 -7.1491 -7.1491 -7.1491 -6.4477 -6.4477 -6.4477 -6.4477 -6.2542 -6.2542 -6.2542 -6.2542 -6.0944 -6.0944 -6.0944 -6.0944 -5.8208 -5.8208 -5.8208 -5.8208 -5.1336 -5.1336 -5.1336 -5.1336 -4.0778 -4.0778 -4.0778 -4.0778 -3.4488 -3.4488 -3.4488 -3.4488 -1.9758 -1.9758 -1.9758 -1.9758 5.1136 5.1136 5.1136 5.1136 k = 0.1303 1.2671 0.2976 ( 7736 PWs) bands (ev): -19.9780 -19.9780 -19.9780 -19.9780 -19.7370 -19.7370 -19.7370 -19.7370 -8.5022 -8.5022 -8.5022 -8.5022 -7.3579 -7.3579 -7.3579 -7.3579 -7.1518 -7.1518 -7.1517 -7.1517 -6.4444 -6.4444 -6.4444 -6.4444 -6.2546 -6.2546 -6.2546 -6.2546 -6.0992 -6.0992 -6.0991 -6.0991 -5.8167 -5.8167 -5.8166 -5.8166 -5.1332 -5.1332 -5.1332 -5.1332 -4.0776 -4.0776 -4.0776 -4.0776 -3.4494 -3.4494 -3.4493 -3.4493 -1.9762 -1.9762 -1.9762 -1.9762 5.1073 5.1073 5.1073 5.1073 k = 0.1520 1.2671 0.2976 ( 7732 PWs) bands (ev): -19.9784 -19.9784 -19.9783 -19.9783 -19.7371 -19.7371 -19.7370 -19.7370 -8.5012 -8.5012 -8.5012 -8.5012 -7.3577 -7.3577 -7.3577 -7.3577 -7.1548 -7.1548 -7.1548 -7.1548 -6.4405 -6.4405 -6.4405 -6.4405 -6.2550 -6.2550 -6.2550 -6.2550 -6.1045 -6.1045 -6.1045 -6.1045 -5.8120 -5.8120 -5.8119 -5.8119 -5.1328 -5.1328 -5.1328 -5.1328 -4.0773 -4.0773 -4.0773 -4.0773 -3.4500 -3.4500 -3.4500 -3.4500 -1.9767 -1.9767 -1.9766 -1.9766 5.1004 5.1004 5.1004 5.1004 k = 0.1737 1.2671 0.2976 ( 7736 PWs) bands (ev): -19.9788 -19.9788 -19.9788 -19.9788 -19.7371 -19.7371 -19.7371 -19.7371 -8.5001 -8.5001 -8.5000 -8.5000 -7.3575 -7.3575 -7.3575 -7.3575 -7.1583 -7.1583 -7.1582 -7.1582 -6.4361 -6.4361 -6.4361 -6.4361 -6.2554 -6.2554 -6.2554 -6.2554 -6.1106 -6.1106 -6.1105 -6.1105 -5.8067 -5.8067 -5.8067 -5.8067 -5.1322 -5.1322 -5.1322 -5.1322 -4.0770 -4.0770 -4.0770 -4.0770 -3.4508 -3.4508 -3.4508 -3.4508 -1.9772 -1.9772 -1.9772 -1.9772 5.0929 5.0929 5.0930 5.0930 k = 0.1954 1.2671 0.2976 ( 7736 PWs) bands (ev): -19.9793 -19.9793 -19.9793 -19.9793 -19.7372 -19.7372 -19.7371 -19.7371 -8.4988 -8.4988 -8.4987 -8.4987 -7.3573 -7.3573 -7.3573 -7.3573 -7.1622 -7.1622 -7.1621 -7.1621 -6.4312 -6.4312 -6.4312 -6.4312 -6.2560 -6.2560 -6.2560 -6.2560 -6.1171 -6.1171 -6.1171 -6.1171 -5.8011 -5.8011 -5.8011 -5.8011 -5.1317 -5.1317 -5.1317 -5.1317 -4.0767 -4.0767 -4.0767 -4.0767 -3.4517 -3.4517 -3.4516 -3.4516 -1.9778 -1.9778 -1.9778 -1.9778 5.0852 5.0852 5.0852 5.0852 k = 0.2171 1.2671 0.2976 ( 7742 PWs) bands (ev): -19.9799 -19.9799 -19.9798 -19.9798 -19.7373 -19.7373 -19.7372 -19.7372 -8.4973 -8.4973 -8.4973 -8.4973 -7.3571 -7.3571 -7.3571 -7.3571 -7.1664 -7.1664 -7.1664 -7.1664 -6.4258 -6.4258 -6.4258 -6.4258 -6.2566 -6.2566 -6.2566 -6.2566 -6.1241 -6.1241 -6.1241 -6.1241 -5.7951 -5.7951 -5.7951 -5.7951 -5.1310 -5.1310 -5.1310 -5.1310 -4.0763 -4.0763 -4.0763 -4.0763 -3.4527 -3.4527 -3.4526 -3.4526 -1.9785 -1.9785 -1.9785 -1.9785 5.0774 5.0774 5.0774 5.0774 k = 0.2389 1.2671 0.2976 ( 7734 PWs) bands (ev): -19.9805 -19.9805 -19.9804 -19.9804 -19.7373 -19.7373 -19.7373 -19.7373 -8.4957 -8.4957 -8.4957 -8.4957 -7.3569 -7.3569 -7.3569 -7.3569 -7.1711 -7.1711 -7.1710 -7.1710 -6.4199 -6.4199 -6.4199 -6.4199 -6.2572 -6.2572 -6.2572 -6.2572 -6.1315 -6.1315 -6.1315 -6.1315 -5.7887 -5.7887 -5.7887 -5.7887 -5.1303 -5.1303 -5.1303 -5.1303 -4.0759 -4.0759 -4.0758 -4.0758 -3.4537 -3.4537 -3.4537 -3.4537 -1.9792 -1.9792 -1.9792 -1.9792 5.0697 5.0697 5.0697 5.0697 k = 0.2606 1.2671 0.2976 ( 7734 PWs) bands (ev): -19.9812 -19.9812 -19.9811 -19.9811 -19.7374 -19.7374 -19.7373 -19.7373 -8.4940 -8.4940 -8.4939 -8.4939 -7.3567 -7.3567 -7.3567 -7.3567 -7.1760 -7.1760 -7.1760 -7.1760 -6.4135 -6.4135 -6.4135 -6.4135 -6.2579 -6.2579 -6.2579 -6.2579 -6.1393 -6.1393 -6.1393 -6.1393 -5.7821 -5.7821 -5.7821 -5.7821 -5.1295 -5.1295 -5.1295 -5.1295 -4.0754 -4.0754 -4.0753 -4.0753 -3.4549 -3.4549 -3.4548 -3.4548 -1.9801 -1.9801 -1.9800 -1.9800 5.0623 5.0623 5.0623 5.0623 k = 0.2606 1.2671 0.2976 ( 7734 PWs) bands (ev): -19.9812 -19.9812 -19.9811 -19.9811 -19.7374 -19.7374 -19.7373 -19.7373 -8.4940 -8.4940 -8.4939 -8.4939 -7.3567 -7.3567 -7.3567 -7.3567 -7.1760 -7.1760 -7.1760 -7.1760 -6.4135 -6.4135 -6.4135 -6.4135 -6.2579 -6.2579 -6.2579 -6.2579 -6.1393 -6.1393 -6.1393 -6.1393 -5.7821 -5.7821 -5.7821 -5.7821 -5.1295 -5.1295 -5.1295 -5.1295 -4.0754 -4.0754 -4.0753 -4.0753 -3.4549 -3.4549 -3.4548 -3.4548 -1.9801 -1.9801 -1.9800 -1.9800 5.0623 5.0623 5.0623 5.0623 k = 0.2562 1.2459 0.2976 ( 7746 PWs) bands (ev): -19.9784 -19.9784 -19.9784 -19.9784 -19.7371 -19.7371 -19.7370 -19.7370 -8.5011 -8.5011 -8.5011 -8.5011 -7.3577 -7.3577 -7.3577 -7.3577 -7.1551 -7.1551 -7.1550 -7.1550 -6.4403 -6.4403 -6.4402 -6.4402 -6.2550 -6.2550 -6.2550 -6.2550 -6.1050 -6.1050 -6.1050 -6.1050 -5.8116 -5.8116 -5.8116 -5.8116 -5.1327 -5.1327 -5.1327 -5.1327 -4.0773 -4.0773 -4.0773 -4.0773 -3.4501 -3.4501 -3.4501 -3.4501 -1.9767 -1.9767 -1.9767 -1.9767 5.0957 5.0957 5.0957 5.0957 k = 0.2519 1.2248 0.2976 ( 7758 PWs) bands (ev): -19.9771 -19.9771 -19.9770 -19.9770 -19.7370 -19.7370 -19.7369 -19.7369 -8.5046 -8.5046 -8.5046 -8.5046 -7.3583 -7.3583 -7.3583 -7.3583 -7.1443 -7.1443 -7.1442 -7.1442 -6.4539 -6.4539 -6.4539 -6.4539 -6.2537 -6.2537 -6.2537 -6.2537 -6.0852 -6.0852 -6.0852 -6.0852 -5.8289 -5.8289 -5.8289 -5.8289 -5.1343 -5.1343 -5.1343 -5.1343 -4.0783 -4.0783 -4.0782 -4.0782 -3.4478 -3.4478 -3.4478 -3.4478 -1.9751 -1.9751 -1.9751 -1.9751 5.1244 5.1244 5.1245 5.1245 k = 0.2475 1.2037 0.2976 ( 7742 PWs) bands (ev): -19.9772 -19.9772 -19.9771 -19.9771 -19.7370 -19.7370 -19.7369 -19.7369 -8.5043 -8.5043 -8.5043 -8.5043 -7.3582 -7.3582 -7.3582 -7.3582 -7.1450 -7.1450 -7.1450 -7.1450 -6.4529 -6.4529 -6.4529 -6.4529 -6.2538 -6.2538 -6.2538 -6.2538 -6.0867 -6.0867 -6.0866 -6.0866 -5.8276 -5.8276 -5.8276 -5.8276 -5.1342 -5.1342 -5.1342 -5.1342 -4.0782 -4.0782 -4.0781 -4.0781 -3.4479 -3.4479 -3.4478 -3.4478 -1.9752 -1.9752 -1.9752 -1.9752 5.1485 5.1485 5.1485 5.1485 k = 0.2432 1.1826 0.2976 ( 7746 PWs) bands (ev): -19.9787 -19.9787 -19.9786 -19.9786 -19.7371 -19.7371 -19.7371 -19.7371 -8.5004 -8.5004 -8.5004 -8.5004 -7.3576 -7.3576 -7.3576 -7.3576 -7.1573 -7.1573 -7.1572 -7.1572 -6.4374 -6.4374 -6.4374 -6.4374 -6.2553 -6.2553 -6.2553 -6.2553 -6.1087 -6.1087 -6.1087 -6.1087 -5.8084 -5.8084 -5.8083 -5.8083 -5.1325 -5.1325 -5.1325 -5.1325 -4.0770 -4.0770 -4.0770 -4.0770 -3.4503 -3.4503 -3.4503 -3.4503 -1.9771 -1.9771 -1.9770 -1.9770 5.1676 5.1676 5.1676 5.1676 k = 0.2389 1.1615 0.2976 ( 7754 PWs) bands (ev): -19.9817 -19.9817 -19.9816 -19.9816 -19.7375 -19.7375 -19.7374 -19.7374 -8.4928 -8.4928 -8.4928 -8.4928 -7.3564 -7.3564 -7.3564 -7.3564 -7.1794 -7.1794 -7.1794 -7.1794 -6.4092 -6.4092 -6.4092 -6.4092 -6.2584 -6.2584 -6.2584 -6.2584 -6.1444 -6.1444 -6.1444 -6.1444 -5.7779 -5.7779 -5.7779 -5.7779 -5.1291 -5.1291 -5.1291 -5.1291 -4.0749 -4.0749 -4.0749 -4.0749 -3.4552 -3.4552 -3.4552 -3.4552 -1.9807 -1.9807 -1.9807 -1.9807 5.1818 5.1818 5.1818 5.1818 k = 0.2345 1.1404 0.2976 ( 7762 PWs) bands (ev): -19.9860 -19.9860 -19.9860 -19.9860 -19.7380 -19.7380 -19.7379 -19.7379 -8.4815 -8.4815 -8.4815 -8.4815 -7.3552 -7.3552 -7.3552 -7.3552 -7.2088 -7.2088 -7.2088 -7.2088 -6.3714 -6.3714 -6.3714 -6.3714 -6.2634 -6.2634 -6.2634 -6.2634 -6.1864 -6.1864 -6.1863 -6.1863 -5.7423 -5.7423 -5.7423 -5.7423 -5.1240 -5.1240 -5.1240 -5.1240 -4.0717 -4.0717 -4.0717 -4.0717 -3.4625 -3.4625 -3.4625 -3.4625 -1.9860 -1.9860 -1.9860 -1.9860 5.1911 5.1911 5.1911 5.1911 k = 0.2302 1.1192 0.2976 ( 7764 PWs) bands (ev): -19.9918 -19.9918 -19.9917 -19.9917 -19.7386 -19.7386 -19.7386 -19.7386 -8.4665 -8.4665 -8.4665 -8.4665 -7.3548 -7.3548 -7.3547 -7.3547 -7.2423 -7.2423 -7.2423 -7.2423 -6.3310 -6.3310 -6.3309 -6.3309 -6.2724 -6.2724 -6.2724 -6.2724 -6.2243 -6.2243 -6.2242 -6.2242 -5.7052 -5.7052 -5.7052 -5.7052 -5.1169 -5.1169 -5.1169 -5.1169 -4.0676 -4.0676 -4.0676 -4.0676 -3.4721 -3.4721 -3.4721 -3.4721 -1.9930 -1.9930 -1.9929 -1.9929 5.1957 5.1957 5.1957 5.1957 k = 0.2258 1.0981 0.2976 ( 7764 PWs) bands (ev): -19.9989 -19.9989 -19.9988 -19.9988 -19.7394 -19.7394 -19.7394 -19.7394 -8.4480 -8.4480 -8.4480 -8.4480 -7.3578 -7.3578 -7.3578 -7.3578 -7.2752 -7.2752 -7.2752 -7.2752 -6.3224 -6.3224 -6.3223 -6.3223 -6.2822 -6.2822 -6.2822 -6.2822 -6.2271 -6.2271 -6.2270 -6.2270 -5.6684 -5.6684 -5.6684 -5.6684 -5.1078 -5.1078 -5.1078 -5.1078 -4.0626 -4.0626 -4.0625 -4.0625 -3.4841 -3.4841 -3.4841 -3.4841 -2.0016 -2.0016 -2.0015 -2.0015 5.1957 5.1957 5.1957 5.1957 k = 0.2215 1.0770 0.2976 ( 7756 PWs) bands (ev): -20.0073 -20.0073 -20.0073 -20.0073 -19.7404 -19.7404 -19.7403 -19.7403 -8.4260 -8.4260 -8.4260 -8.4260 -7.3715 -7.3715 -7.3714 -7.3714 -7.2990 -7.2990 -7.2990 -7.2990 -6.3655 -6.3655 -6.3654 -6.3654 -6.2858 -6.2858 -6.2858 -6.2858 -6.1823 -6.1823 -6.1822 -6.1822 -5.6331 -5.6331 -5.6331 -5.6331 -5.0966 -5.0966 -5.0965 -5.0965 -4.0566 -4.0566 -4.0566 -4.0566 -3.4984 -3.4984 -3.4983 -3.4983 -2.0117 -2.0117 -2.0117 -2.0117 5.1913 5.1913 5.1913 5.1913 k = 0.2171 1.0559 0.2976 ( 7756 PWs) bands (ev): -20.0171 -20.0171 -20.0170 -20.0170 -19.7415 -19.7415 -19.7415 -19.7415 -8.4005 -8.4005 -8.4005 -8.4005 -7.4011 -7.4011 -7.4010 -7.4010 -7.3072 -7.3072 -7.3071 -7.3071 -6.4190 -6.4190 -6.4190 -6.4190 -6.2939 -6.2939 -6.2939 -6.2939 -6.1210 -6.1210 -6.1209 -6.1209 -5.6000 -5.6000 -5.5999 -5.5999 -5.0830 -5.0830 -5.0830 -5.0830 -4.0498 -4.0498 -4.0497 -4.0497 -3.5149 -3.5149 -3.5149 -3.5149 -2.0234 -2.0234 -2.0234 -2.0234 5.1829 5.1829 5.1829 5.1829 k = 0.2128 1.0348 0.2976 ( 7754 PWs) bands (ev): -20.0281 -20.0281 -20.0281 -20.0281 -19.7428 -19.7428 -19.7427 -19.7427 -8.3717 -8.3717 -8.3717 -8.3717 -7.4399 -7.4399 -7.4399 -7.4399 -7.3057 -7.3057 -7.3057 -7.3057 -6.4755 -6.4755 -6.4754 -6.4754 -6.3041 -6.3041 -6.3041 -6.3041 -6.0536 -6.0536 -6.0536 -6.0536 -5.5695 -5.5695 -5.5694 -5.5694 -5.0670 -5.0670 -5.0670 -5.0670 -4.0421 -4.0421 -4.0421 -4.0421 -3.5336 -3.5336 -3.5336 -3.5336 -2.0365 -2.0365 -2.0364 -2.0364 5.1700 5.1700 5.1700 5.1700 k = 0.2085 1.0136 0.2976 ( 7762 PWs) bands (ev): -20.0404 -20.0404 -20.0403 -20.0403 -19.7442 -19.7442 -19.7442 -19.7442 -8.3396 -8.3396 -8.3396 -8.3396 -7.4820 -7.4820 -7.4820 -7.4820 -7.3000 -7.3000 -7.3000 -7.3000 -6.5333 -6.5333 -6.5333 -6.5333 -6.3157 -6.3157 -6.3157 -6.3157 -5.9827 -5.9827 -5.9827 -5.9827 -5.5418 -5.5418 -5.5418 -5.5418 -5.0486 -5.0486 -5.0486 -5.0486 -4.0337 -4.0337 -4.0337 -4.0337 -3.5545 -3.5545 -3.5544 -3.5544 -2.0509 -2.0509 -2.0509 -2.0509 5.0994 5.0994 5.0994 5.0994 k = 0.2041 0.9925 0.2976 ( 7766 PWs) bands (ev): -20.0538 -20.0538 -20.0537 -20.0537 -19.7458 -19.7458 -19.7457 -19.7457 -8.3045 -8.3045 -8.3045 -8.3045 -7.5249 -7.5249 -7.5249 -7.5249 -7.2921 -7.2921 -7.2921 -7.2921 -6.5918 -6.5918 -6.5917 -6.5917 -6.3284 -6.3284 -6.3284 -6.3284 -5.9093 -5.9093 -5.9093 -5.9093 -5.5171 -5.5171 -5.5170 -5.5170 -5.0279 -5.0279 -5.0279 -5.0279 -4.0247 -4.0247 -4.0246 -4.0246 -3.5774 -3.5774 -3.5773 -3.5773 -2.0665 -2.0665 -2.0665 -2.0665 4.9971 4.9971 4.9972 4.9972 k = 0.1998 0.9714 0.2976 ( 7758 PWs) bands (ev): -20.0683 -20.0683 -20.0683 -20.0683 -19.7475 -19.7475 -19.7474 -19.7474 -8.2664 -8.2664 -8.2663 -8.2663 -7.5676 -7.5676 -7.5676 -7.5676 -7.2828 -7.2828 -7.2828 -7.2828 -6.6505 -6.6505 -6.6505 -6.6505 -6.3421 -6.3421 -6.3421 -6.3421 -5.8342 -5.8342 -5.8342 -5.8342 -5.4950 -5.4950 -5.4949 -5.4949 -5.0050 -5.0050 -5.0050 -5.0050 -4.0150 -4.0150 -4.0149 -4.0149 -3.6023 -3.6023 -3.6023 -3.6023 -2.0832 -2.0832 -2.0832 -2.0832 4.8938 4.8938 4.8938 4.8938 k = 0.1954 0.9503 0.2976 ( 7754 PWs) bands (ev): -20.0839 -20.0839 -20.0839 -20.0839 -19.7493 -19.7493 -19.7492 -19.7492 -8.2254 -8.2254 -8.2254 -8.2254 -7.6096 -7.6096 -7.6096 -7.6096 -7.2722 -7.2722 -7.2722 -7.2722 -6.7093 -6.7093 -6.7093 -6.7093 -6.3568 -6.3568 -6.3568 -6.3568 -5.7580 -5.7580 -5.7579 -5.7579 -5.4754 -5.4754 -5.4753 -5.4753 -4.9802 -4.9802 -4.9802 -4.9802 -4.0047 -4.0047 -4.0046 -4.0046 -3.6291 -3.6291 -3.6291 -3.6291 -2.1009 -2.1009 -2.1009 -2.1009 4.7899 4.7899 4.7899 4.7899 k = 0.1911 0.9292 0.2976 ( 7740 PWs) bands (ev): -20.1005 -20.1005 -20.1004 -20.1004 -19.7512 -19.7512 -19.7512 -19.7512 -8.1820 -8.1820 -8.1819 -8.1819 -7.6505 -7.6505 -7.6504 -7.6504 -7.2608 -7.2608 -7.2608 -7.2608 -6.7678 -6.7678 -6.7678 -6.7678 -6.3723 -6.3723 -6.3723 -6.3723 -5.6814 -5.6814 -5.6813 -5.6813 -5.4574 -5.4574 -5.4574 -5.4574 -4.9537 -4.9537 -4.9537 -4.9537 -3.9940 -3.9940 -3.9939 -3.9939 -3.6578 -3.6578 -3.6577 -3.6577 -2.1194 -2.1194 -2.1194 -2.1194 4.6860 4.6860 4.6860 4.6860 k = 0.1867 0.9081 0.2976 ( 7744 PWs) bands (ev): -20.1180 -20.1180 -20.1180 -20.1180 -19.7533 -19.7533 -19.7532 -19.7532 -8.1362 -8.1362 -8.1362 -8.1362 -7.6900 -7.6900 -7.6900 -7.6900 -7.2486 -7.2486 -7.2486 -7.2486 -6.8257 -6.8257 -6.8257 -6.8257 -6.3886 -6.3886 -6.3886 -6.3886 -5.6057 -5.6057 -5.6055 -5.6055 -5.4401 -5.4401 -5.4400 -5.4400 -4.9259 -4.9259 -4.9259 -4.9259 -3.9830 -3.9830 -3.9829 -3.9829 -3.6881 -3.6881 -3.6880 -3.6880 -2.1386 -2.1386 -2.1386 -2.1386 4.5823 4.5823 4.5824 4.5824 k = 0.1824 0.8869 0.2976 ( 7744 PWs) bands (ev): -20.1364 -20.1364 -20.1364 -20.1364 -19.7555 -19.7555 -19.7554 -19.7554 -8.0886 -8.0886 -8.0885 -8.0885 -7.7278 -7.7278 -7.7278 -7.7278 -7.2360 -7.2360 -7.2360 -7.2360 -6.8827 -6.8827 -6.8827 -6.8827 -6.4056 -6.4056 -6.4056 -6.4056 -5.5341 -5.5341 -5.5339 -5.5339 -5.4200 -5.4200 -5.4198 -5.4198 -4.8971 -4.8971 -4.8971 -4.8971 -3.9717 -3.9717 -3.9716 -3.9716 -3.7200 -3.7200 -3.7199 -3.7199 -2.1583 -2.1583 -2.1582 -2.1582 4.4793 4.4793 4.4793 4.4793 k = 0.1781 0.8658 0.2976 ( 7744 PWs) bands (ev): -20.1556 -20.1556 -20.1555 -20.1555 -19.7578 -19.7578 -19.7577 -19.7577 -8.0398 -8.0398 -8.0397 -8.0397 -7.7634 -7.7634 -7.7634 -7.7634 -7.2233 -7.2233 -7.2233 -7.2233 -6.9380 -6.9380 -6.9379 -6.9379 -6.4232 -6.4232 -6.4232 -6.4232 -5.4766 -5.4766 -5.4764 -5.4764 -5.3872 -5.3872 -5.3870 -5.3870 -4.8676 -4.8676 -4.8676 -4.8676 -3.9604 -3.9604 -3.9603 -3.9603 -3.7532 -3.7532 -3.7531 -3.7531 -2.1782 -2.1782 -2.1782 -2.1782 4.3769 4.3769 4.3770 4.3770 k = 0.1737 0.8447 0.2976 ( 7748 PWs) bands (ev): -20.1755 -20.1755 -20.1755 -20.1755 -19.7602 -19.7602 -19.7601 -19.7601 -7.9912 -7.9912 -7.9911 -7.9911 -7.7957 -7.7957 -7.7956 -7.7956 -7.2114 -7.2114 -7.2114 -7.2114 -6.9905 -6.9905 -6.9905 -6.9905 -6.4413 -6.4413 -6.4413 -6.4413 -5.4444 -5.4444 -5.4442 -5.4442 -5.3305 -5.3305 -5.3303 -5.3303 -4.8377 -4.8377 -4.8376 -4.8376 -3.9494 -3.9494 -3.9493 -3.9493 -3.7873 -3.7873 -3.7872 -3.7872 -2.1983 -2.1983 -2.1982 -2.1982 4.2755 4.2755 4.2756 4.2756 k = 0.1694 0.8236 0.2976 ( 7738 PWs) bands (ev): -20.1961 -20.1961 -20.1960 -20.1960 -19.7627 -19.7627 -19.7626 -19.7626 -7.9470 -7.9470 -7.9468 -7.9468 -7.8208 -7.8208 -7.8207 -7.8207 -7.2025 -7.2025 -7.2025 -7.2025 -7.0377 -7.0377 -7.0377 -7.0377 -6.4599 -6.4599 -6.4599 -6.4599 -5.4278 -5.4278 -5.4277 -5.4277 -5.2595 -5.2595 -5.2594 -5.2594 -4.8074 -4.8074 -4.8074 -4.8074 -3.9398 -3.9398 -3.9395 -3.9395 -3.8215 -3.8215 -3.8212 -3.8212 -2.2182 -2.2182 -2.2181 -2.2181 4.1753 4.1753 4.1753 4.1753 k = 0.1650 0.8025 0.2976 ( 7742 PWs) bands (ev): -20.2172 -20.2172 -20.2172 -20.2172 -19.7653 -19.7653 -19.7652 -19.7652 -7.9216 -7.9216 -7.9214 -7.9214 -7.8251 -7.8251 -7.8249 -7.8249 -7.2016 -7.2016 -7.2016 -7.2016 -7.0742 -7.0742 -7.0742 -7.0742 -6.4788 -6.4788 -6.4788 -6.4788 -5.4169 -5.4169 -5.4168 -5.4168 -5.1846 -5.1846 -5.1845 -5.1845 -4.7771 -4.7771 -4.7770 -4.7770 -3.9341 -3.9341 -3.9337 -3.9337 -3.8529 -3.8529 -3.8525 -3.8525 -2.2377 -2.2377 -2.2376 -2.2376 4.0763 4.0763 4.0763 4.0763 k = 0.1607 0.7814 0.2976 ( 7744 PWs) bands (ev): -20.2389 -20.2389 -20.2388 -20.2388 -19.7679 -19.7679 -19.7679 -19.7679 -7.9287 -7.9287 -7.9285 -7.9285 -7.7954 -7.7954 -7.7953 -7.7953 -7.2165 -7.2165 -7.2165 -7.2165 -7.0913 -7.0913 -7.0913 -7.0913 -6.4981 -6.4981 -6.4980 -6.4980 -5.4083 -5.4083 -5.4083 -5.4083 -5.1091 -5.1091 -5.1090 -5.1090 -4.7466 -4.7466 -4.7465 -4.7465 -3.9407 -3.9407 -3.9403 -3.9403 -3.8731 -3.8731 -3.8727 -3.8727 -2.2565 -2.2565 -2.2565 -2.2565 3.9786 3.9786 3.9786 3.9786 k = 0.1563 0.7602 0.2976 ( 7740 PWs) bands (ev): -20.2610 -20.2610 -20.2609 -20.2609 -19.7707 -19.7707 -19.7706 -19.7706 -7.9506 -7.9506 -7.9505 -7.9505 -7.7511 -7.7511 -7.7510 -7.7510 -7.2455 -7.2455 -7.2455 -7.2455 -7.0894 -7.0894 -7.0894 -7.0894 -6.5175 -6.5175 -6.5175 -6.5175 -5.4010 -5.4010 -5.4009 -5.4009 -5.0347 -5.0347 -5.0346 -5.0346 -4.7159 -4.7159 -4.7158 -4.7158 -3.9666 -3.9666 -3.9663 -3.9663 -3.8751 -3.8751 -3.8748 -3.8748 -2.2744 -2.2744 -2.2744 -2.2744 3.8824 3.8824 3.8824 3.8824 k = 0.1520 0.7391 0.2976 ( 7748 PWs) bands (ev): -20.2834 -20.2834 -20.2834 -20.2834 -19.7735 -19.7735 -19.7734 -19.7734 -7.9757 -7.9757 -7.9756 -7.9756 -7.7062 -7.7062 -7.7061 -7.7061 -7.2779 -7.2779 -7.2779 -7.2779 -7.0771 -7.0771 -7.0771 -7.0771 -6.5371 -6.5371 -6.5370 -6.5370 -5.3942 -5.3942 -5.3941 -5.3941 -4.9624 -4.9624 -4.9623 -4.9623 -4.6847 -4.6847 -4.6847 -4.6847 -4.0031 -4.0031 -4.0029 -4.0029 -3.8675 -3.8675 -3.8673 -3.8673 -2.2911 -2.2911 -2.2911 -2.2911 3.7877 3.7877 3.7877 3.7877 k = 0.1477 0.7180 0.2976 ( 7748 PWs) bands (ev): -20.3062 -20.3062 -20.3061 -20.3061 -19.7763 -19.7763 -19.7763 -19.7763 -8.0009 -8.0009 -8.0009 -8.0009 -7.6680 -7.6680 -7.6679 -7.6679 -7.3042 -7.3042 -7.3042 -7.3042 -7.0598 -7.0598 -7.0598 -7.0598 -6.5566 -6.5566 -6.5566 -6.5566 -5.3876 -5.3876 -5.3876 -5.3876 -4.8933 -4.8933 -4.8932 -4.8932 -4.6527 -4.6527 -4.6527 -4.6527 -4.0439 -4.0439 -4.0437 -4.0437 -3.8568 -3.8568 -3.8566 -3.8566 -2.3062 -2.3062 -2.3061 -2.3061 3.6946 3.6946 3.6947 3.6947 k = 0.1433 0.6969 0.2976 ( 7748 PWs) bands (ev): -20.3291 -20.3291 -20.3291 -20.3291 -19.7792 -19.7792 -19.7792 -19.7792 -8.0254 -8.0254 -8.0253 -8.0253 -7.6435 -7.6435 -7.6434 -7.6434 -7.3161 -7.3161 -7.3161 -7.3161 -7.0397 -7.0397 -7.0397 -7.0397 -6.5761 -6.5761 -6.5761 -6.5761 -5.3811 -5.3811 -5.3811 -5.3811 -4.8286 -4.8286 -4.8285 -4.8285 -4.6191 -4.6191 -4.6191 -4.6191 -4.0868 -4.0868 -4.0867 -4.0867 -3.8449 -3.8449 -3.8448 -3.8448 -2.3193 -2.3193 -2.3193 -2.3193 3.6032 3.6032 3.6033 3.6033 k = 0.1390 0.6758 0.2976 ( 7742 PWs) bands (ev): -20.3522 -20.3522 -20.3522 -20.3522 -19.7822 -19.7822 -19.7822 -19.7822 -8.0488 -8.0488 -8.0487 -8.0487 -7.6386 -7.6386 -7.6385 -7.6385 -7.3076 -7.3076 -7.3076 -7.3076 -7.0177 -7.0177 -7.0177 -7.0177 -6.5955 -6.5955 -6.5954 -6.5954 -5.3744 -5.3744 -5.3743 -5.3743 -4.7698 -4.7698 -4.7697 -4.7697 -4.5830 -4.5830 -4.5830 -4.5830 -4.1311 -4.1311 -4.1310 -4.1310 -3.8326 -3.8326 -3.8325 -3.8325 -2.3302 -2.3302 -2.3302 -2.3302 3.5135 3.5135 3.5136 3.5136 k = 0.1346 0.6546 0.2976 ( 7734 PWs) bands (ev): -20.3754 -20.3754 -20.3754 -20.3754 -19.7852 -19.7852 -19.7851 -19.7851 -8.0709 -8.0709 -8.0708 -8.0708 -7.6529 -7.6529 -7.6528 -7.6528 -7.2790 -7.2790 -7.2790 -7.2790 -6.9942 -6.9942 -6.9942 -6.9942 -6.6145 -6.6145 -6.6145 -6.6145 -5.3673 -5.3673 -5.3672 -5.3672 -4.7182 -4.7182 -4.7181 -4.7181 -4.5435 -4.5435 -4.5435 -4.5435 -4.1765 -4.1765 -4.1764 -4.1764 -3.8202 -3.8202 -3.8201 -3.8201 -2.3384 -2.3384 -2.3384 -2.3384 3.4256 3.4256 3.4257 3.4257 k = 0.1303 0.6335 0.2976 ( 7734 PWs) bands (ev): -20.3986 -20.3986 -20.3985 -20.3985 -19.7882 -19.7882 -19.7882 -19.7882 -8.0918 -8.0918 -8.0918 -8.0918 -7.6805 -7.6805 -7.6804 -7.6804 -7.2363 -7.2363 -7.2363 -7.2363 -6.9694 -6.9694 -6.9694 -6.9694 -6.6331 -6.6331 -6.6330 -6.6330 -5.3596 -5.3596 -5.3596 -5.3596 -4.6744 -4.6744 -4.6744 -4.6744 -4.5006 -4.5006 -4.5005 -4.5005 -4.2227 -4.2227 -4.2226 -4.2226 -3.8077 -3.8077 -3.8077 -3.8077 -2.3436 -2.3436 -2.3436 -2.3436 3.3396 3.3396 3.3397 3.3397 k = 0.1259 0.6124 0.2976 ( 7738 PWs) bands (ev): -20.4217 -20.4217 -20.4216 -20.4216 -19.7912 -19.7912 -19.7912 -19.7912 -8.1115 -8.1115 -8.1114 -8.1114 -7.7157 -7.7157 -7.7156 -7.7156 -7.1859 -7.1859 -7.1858 -7.1858 -6.9434 -6.9434 -6.9434 -6.9434 -6.6510 -6.6510 -6.6510 -6.6510 -5.3513 -5.3513 -5.3513 -5.3513 -4.6380 -4.6380 -4.6380 -4.6380 -4.4552 -4.4552 -4.4551 -4.4551 -4.2695 -4.2695 -4.2694 -4.2694 -3.7954 -3.7954 -3.7953 -3.7953 -2.3454 -2.3454 -2.3454 -2.3454 3.2554 3.2554 3.2555 3.2555 k = 0.1216 0.5913 0.2976 ( 7740 PWs) bands (ev): -20.4446 -20.4446 -20.4446 -20.4446 -19.7943 -19.7943 -19.7942 -19.7942 -8.1300 -8.1300 -8.1299 -8.1299 -7.7546 -7.7546 -7.7546 -7.7546 -7.1318 -7.1318 -7.1317 -7.1317 -6.9160 -6.9160 -6.9160 -6.9160 -6.6681 -6.6681 -6.6681 -6.6681 -5.3421 -5.3421 -5.3421 -5.3421 -4.6077 -4.6077 -4.6076 -4.6076 -4.4096 -4.4096 -4.4095 -4.4095 -4.3161 -4.3161 -4.3160 -4.3160 -3.7832 -3.7832 -3.7831 -3.7831 -2.3436 -2.3436 -2.3435 -2.3435 3.1731 3.1731 3.1732 3.1732 k = 0.1173 0.5702 0.2976 ( 7728 PWs) bands (ev): -20.4674 -20.4674 -20.4674 -20.4674 -19.7973 -19.7973 -19.7972 -19.7972 -8.1472 -8.1472 -8.1472 -8.1472 -7.7952 -7.7952 -7.7952 -7.7952 -7.0769 -7.0769 -7.0769 -7.0769 -6.8872 -6.8872 -6.8871 -6.8871 -6.6839 -6.6839 -6.6838 -6.6838 -5.3320 -5.3320 -5.3320 -5.3320 -4.5820 -4.5820 -4.5819 -4.5819 -4.3779 -4.3779 -4.3779 -4.3779 -4.3502 -4.3502 -4.3501 -4.3501 -3.7711 -3.7711 -3.7711 -3.7711 -2.3377 -2.3377 -2.3376 -2.3376 3.0929 3.0929 3.0929 3.0929 k = 0.1129 0.5491 0.2976 ( 7732 PWs) bands (ev): -20.4899 -20.4899 -20.4899 -20.4899 -19.8003 -19.8003 -19.8003 -19.8003 -8.1635 -8.1635 -8.1634 -8.1634 -7.8363 -7.8363 -7.8362 -7.8362 -7.0238 -7.0238 -7.0238 -7.0238 -6.8565 -6.8565 -6.8564 -6.8564 -6.6977 -6.6977 -6.6977 -6.6977 -5.3207 -5.3207 -5.3207 -5.3207 -4.5601 -4.5601 -4.5601 -4.5601 -4.4162 -4.4162 -4.4162 -4.4162 -4.3166 -4.3166 -4.3165 -4.3165 -3.7594 -3.7594 -3.7593 -3.7593 -2.3276 -2.3276 -2.3276 -2.3276 3.0146 3.0146 3.0146 3.0146 k = 0.1086 0.5279 0.2976 ( 7724 PWs) bands (ev): -20.5121 -20.5121 -20.5121 -20.5121 -19.8033 -19.8033 -19.8033 -19.8033 -8.1786 -8.1786 -8.1786 -8.1786 -7.8771 -7.8771 -7.8770 -7.8770 -6.9750 -6.9750 -6.9750 -6.9750 -6.8233 -6.8233 -6.8233 -6.8233 -6.7086 -6.7086 -6.7085 -6.7085 -5.3083 -5.3083 -5.3082 -5.3082 -4.5423 -4.5423 -4.5422 -4.5422 -4.4624 -4.4624 -4.4624 -4.4624 -4.2774 -4.2774 -4.2773 -4.2773 -3.7479 -3.7479 -3.7478 -3.7478 -2.3132 -2.3132 -2.3131 -2.3131 2.9383 2.9383 2.9384 2.9384 k = 0.1042 0.5068 0.2976 ( 7724 PWs) bands (ev): -20.5339 -20.5339 -20.5338 -20.5338 -19.8063 -19.8063 -19.8062 -19.8062 -8.1930 -8.1930 -8.1929 -8.1929 -7.9170 -7.9170 -7.9169 -7.9169 -6.9336 -6.9336 -6.9335 -6.9335 -6.7872 -6.7872 -6.7872 -6.7872 -6.7146 -6.7146 -6.7146 -6.7146 -5.2945 -5.2945 -5.2944 -5.2944 -4.5368 -4.5368 -4.5368 -4.5368 -4.4993 -4.4993 -4.4992 -4.4992 -4.2415 -4.2415 -4.2414 -4.2414 -3.7367 -3.7367 -3.7366 -3.7366 -2.2943 -2.2943 -2.2943 -2.2943 2.8642 2.8642 2.8642 2.8642 k = 0.0999 0.4857 0.2976 ( 7728 PWs) bands (ev): -20.5552 -20.5552 -20.5552 -20.5552 -19.8092 -19.8092 -19.8092 -19.8092 -8.2065 -8.2065 -8.2064 -8.2064 -7.9557 -7.9557 -7.9556 -7.9556 -6.9028 -6.9028 -6.9028 -6.9028 -6.7491 -6.7491 -6.7491 -6.7491 -6.7122 -6.7122 -6.7122 -6.7122 -5.2792 -5.2792 -5.2792 -5.2792 -4.5712 -4.5712 -4.5712 -4.5712 -4.4985 -4.4985 -4.4984 -4.4984 -4.2097 -4.2097 -4.2096 -4.2096 -3.7258 -3.7258 -3.7258 -3.7258 -2.2712 -2.2712 -2.2711 -2.2711 2.7921 2.7921 2.7922 2.7922 k = 0.0955 0.4646 0.2976 ( 7736 PWs) bands (ev): -20.5761 -20.5761 -20.5760 -20.5760 -19.8121 -19.8121 -19.8121 -19.8121 -8.2195 -8.2195 -8.2194 -8.2194 -7.9928 -7.9928 -7.9927 -7.9927 -6.8848 -6.8848 -6.8847 -6.8847 -6.7175 -6.7175 -6.7174 -6.7174 -6.6911 -6.6911 -6.6911 -6.6911 -5.2625 -5.2625 -5.2625 -5.2625 -4.6186 -4.6186 -4.6185 -4.6185 -4.4864 -4.4864 -4.4863 -4.4863 -4.1821 -4.1821 -4.1820 -4.1820 -3.7153 -3.7153 -3.7153 -3.7153 -2.2438 -2.2438 -2.2438 -2.2438 2.7223 2.7223 2.7223 2.7223 k = 0.0912 0.4435 0.2976 ( 7742 PWs) bands (ev): -20.5964 -20.5964 -20.5963 -20.5963 -19.8149 -19.8149 -19.8149 -19.8149 -8.2321 -8.2321 -8.2320 -8.2320 -8.0281 -8.0281 -8.0280 -8.0280 -6.8783 -6.8783 -6.8782 -6.8782 -6.6953 -6.6953 -6.6953 -6.6953 -6.6500 -6.6500 -6.6500 -6.6500 -5.2442 -5.2442 -5.2442 -5.2442 -4.6676 -4.6676 -4.6675 -4.6675 -4.4741 -4.4741 -4.4741 -4.4741 -4.1589 -4.1589 -4.1587 -4.1587 -3.7052 -3.7052 -3.7052 -3.7052 -2.2126 -2.2126 -2.2125 -2.2125 2.6546 2.6546 2.6547 2.6547 k = 0.0869 0.4224 0.2976 ( 7738 PWs) bands (ev): -20.6161 -20.6161 -20.6160 -20.6160 -19.8177 -19.8177 -19.8177 -19.8177 -8.2446 -8.2446 -8.2445 -8.2445 -8.0611 -8.0611 -8.0610 -8.0610 -6.8800 -6.8800 -6.8800 -6.8800 -6.6706 -6.6706 -6.6706 -6.6706 -6.6046 -6.6046 -6.6046 -6.6046 -5.2244 -5.2244 -5.2244 -5.2244 -4.7170 -4.7170 -4.7169 -4.7169 -4.4626 -4.4626 -4.4625 -4.4625 -4.1398 -4.1398 -4.1396 -4.1396 -3.6955 -3.6955 -3.6954 -3.6954 -2.1778 -2.1778 -2.1778 -2.1778 2.5893 2.5893 2.5894 2.5894 k = 0.0825 0.4012 0.2976 ( 7746 PWs) bands (ev): -20.6351 -20.6351 -20.6351 -20.6351 -19.8204 -19.8204 -19.8204 -19.8204 -8.2574 -8.2574 -8.2573 -8.2573 -8.0915 -8.0915 -8.0914 -8.0914 -6.8865 -6.8865 -6.8865 -6.8865 -6.6427 -6.6427 -6.6427 -6.6427 -6.5592 -6.5592 -6.5592 -6.5592 -5.2031 -5.2031 -5.2031 -5.2031 -4.7664 -4.7664 -4.7663 -4.7663 -4.4520 -4.4520 -4.4519 -4.4519 -4.1246 -4.1246 -4.1244 -4.1244 -3.6861 -3.6861 -3.6861 -3.6861 -2.1400 -2.1400 -2.1400 -2.1400 2.5263 2.5263 2.5264 2.5264 k = 0.0782 0.3801 0.2976 ( 7754 PWs) bands (ev): -20.6534 -20.6534 -20.6534 -20.6534 -19.8230 -19.8230 -19.8230 -19.8230 -8.2709 -8.2709 -8.2708 -8.2708 -8.1188 -8.1188 -8.1188 -8.1188 -6.8956 -6.8956 -6.8955 -6.8955 -6.6127 -6.6127 -6.6127 -6.6127 -6.5152 -6.5152 -6.5152 -6.5152 -5.1806 -5.1806 -5.1805 -5.1805 -4.8156 -4.8156 -4.8155 -4.8155 -4.4422 -4.4422 -4.4421 -4.4421 -4.1130 -4.1130 -4.1128 -4.1128 -3.6772 -3.6772 -3.6772 -3.6772 -2.0997 -2.0997 -2.0997 -2.0997 2.4657 2.4657 2.4658 2.4658 k = 0.0738 0.3590 0.2976 ( 7758 PWs) bands (ev): -20.6710 -20.6710 -20.6710 -20.6710 -19.8255 -19.8255 -19.8255 -19.8255 -8.2853 -8.2853 -8.2852 -8.2852 -8.1428 -8.1428 -8.1427 -8.1427 -6.9059 -6.9059 -6.9058 -6.9058 -6.5815 -6.5815 -6.5814 -6.5814 -6.4733 -6.4733 -6.4733 -6.4733 -5.1569 -5.1569 -5.1569 -5.1569 -4.8643 -4.8643 -4.8643 -4.8643 -4.4331 -4.4331 -4.4330 -4.4330 -4.1047 -4.1047 -4.1046 -4.1046 -3.6688 -3.6688 -3.6687 -3.6687 -2.0575 -2.0575 -2.0574 -2.0574 2.4076 2.4076 2.4077 2.4077 k = 0.0695 0.3379 0.2976 ( 7750 PWs) bands (ev): -20.6878 -20.6878 -20.6878 -20.6878 -19.8279 -19.8279 -19.8279 -19.8279 -8.3009 -8.3009 -8.3008 -8.3008 -8.1632 -8.1632 -8.1631 -8.1631 -6.9167 -6.9167 -6.9167 -6.9167 -6.5494 -6.5494 -6.5493 -6.5493 -6.4338 -6.4338 -6.4338 -6.4338 -5.1327 -5.1327 -5.1326 -5.1326 -4.9122 -4.9122 -4.9122 -4.9122 -4.4246 -4.4246 -4.4245 -4.4245 -4.0994 -4.0994 -4.0992 -4.0992 -3.6607 -3.6607 -3.6607 -3.6607 -2.0138 -2.0138 -2.0138 -2.0138 2.3521 2.3521 2.3521 2.3521 k = 0.0651 0.3168 0.2976 ( 7754 PWs) bands (ev): -20.7038 -20.7038 -20.7038 -20.7038 -19.8303 -19.8303 -19.8302 -19.8302 -8.3178 -8.3178 -8.3177 -8.3177 -8.1799 -8.1799 -8.1798 -8.1798 -6.9276 -6.9276 -6.9276 -6.9276 -6.5169 -6.5169 -6.5168 -6.5168 -6.3969 -6.3969 -6.3969 -6.3969 -5.1089 -5.1089 -5.1088 -5.1088 -4.9584 -4.9584 -4.9584 -4.9584 -4.4165 -4.4165 -4.4164 -4.4164 -4.0966 -4.0966 -4.0965 -4.0965 -3.6531 -3.6531 -3.6531 -3.6531 -1.9694 -1.9694 -1.9694 -1.9694 2.2992 2.2992 2.2992 2.2992 k = 0.0608 0.2956 0.2976 ( 7750 PWs) bands (ev): -20.7190 -20.7190 -20.7189 -20.7189 -19.8325 -19.8325 -19.8324 -19.8324 -8.3357 -8.3357 -8.3356 -8.3356 -8.1933 -8.1933 -8.1932 -8.1932 -6.9383 -6.9383 -6.9383 -6.9383 -6.4842 -6.4842 -6.4841 -6.4841 -6.3626 -6.3626 -6.3626 -6.3626 -5.0890 -5.0890 -5.0889 -5.0889 -4.9998 -4.9998 -4.9997 -4.9997 -4.4086 -4.4086 -4.4085 -4.4085 -4.0961 -4.0961 -4.0960 -4.0960 -3.6460 -3.6460 -3.6460 -3.6460 -1.9248 -1.9248 -1.9248 -1.9248 2.2490 2.2490 2.2491 2.2491 k = 0.0565 0.2745 0.2976 ( 7742 PWs) bands (ev): -20.7332 -20.7332 -20.7332 -20.7332 -19.8345 -19.8345 -19.8345 -19.8345 -8.3540 -8.3540 -8.3540 -8.3540 -8.2039 -8.2039 -8.2038 -8.2038 -6.9486 -6.9486 -6.9486 -6.9486 -6.4516 -6.4516 -6.4516 -6.4516 -6.3309 -6.3309 -6.3309 -6.3309 -5.0884 -5.0884 -5.0884 -5.0884 -5.0209 -5.0209 -5.0209 -5.0209 -4.4008 -4.4008 -4.4007 -4.4007 -4.0977 -4.0977 -4.0975 -4.0975 -3.6394 -3.6394 -3.6394 -3.6394 -1.8805 -1.8805 -1.8805 -1.8805 2.2016 2.2016 2.2017 2.2017 k = 0.0521 0.2534 0.2976 ( 7734 PWs) bands (ev): -20.7465 -20.7465 -20.7465 -20.7465 -19.8365 -19.8365 -19.8365 -19.8365 -8.3724 -8.3724 -8.3723 -8.3723 -8.2122 -8.2122 -8.2121 -8.2121 -6.9584 -6.9584 -6.9584 -6.9584 -6.4195 -6.4195 -6.4194 -6.4194 -6.3015 -6.3015 -6.3015 -6.3015 -5.1197 -5.1197 -5.1196 -5.1196 -5.0098 -5.0098 -5.0097 -5.0097 -4.3928 -4.3928 -4.3927 -4.3927 -4.1009 -4.1009 -4.1007 -4.1007 -3.6332 -3.6332 -3.6332 -3.6332 -1.8372 -1.8372 -1.8372 -1.8372 2.1572 2.1572 2.1573 2.1573 k = 0.0478 0.2323 0.2976 ( 7730 PWs) bands (ev): -20.7589 -20.7589 -20.7588 -20.7588 -19.8383 -19.8383 -19.8383 -19.8383 -8.3903 -8.3903 -8.3902 -8.3902 -8.2187 -8.2187 -8.2186 -8.2186 -6.9677 -6.9677 -6.9676 -6.9676 -6.3882 -6.3882 -6.3881 -6.3881 -6.2743 -6.2743 -6.2743 -6.2743 -5.1610 -5.1610 -5.1610 -5.1610 -4.9882 -4.9882 -4.9881 -4.9881 -4.3846 -4.3846 -4.3845 -4.3845 -4.1056 -4.1056 -4.1054 -4.1054 -3.6275 -3.6275 -3.6275 -3.6275 -1.7954 -1.7954 -1.7954 -1.7954 2.1158 2.1158 2.1159 2.1159 k = 0.0434 0.2112 0.2976 ( 7742 PWs) bands (ev): -20.7702 -20.7702 -20.7702 -20.7702 -19.8400 -19.8400 -19.8400 -19.8400 -8.4074 -8.4074 -8.4073 -8.4073 -8.2238 -8.2238 -8.2238 -8.2238 -6.9762 -6.9762 -6.9762 -6.9762 -6.3582 -6.3582 -6.3582 -6.3582 -6.2487 -6.2487 -6.2486 -6.2486 -5.2038 -5.2038 -5.2038 -5.2038 -4.9652 -4.9652 -4.9651 -4.9651 -4.3758 -4.3758 -4.3758 -4.3758 -4.1117 -4.1117 -4.1115 -4.1115 -3.6223 -3.6223 -3.6223 -3.6223 -1.7555 -1.7555 -1.7555 -1.7555 2.0775 2.0775 2.0776 2.0776 k = 0.0391 0.1901 0.2976 ( 7742 PWs) bands (ev): -20.7806 -20.7806 -20.7806 -20.7806 -19.8416 -19.8416 -19.8415 -19.8415 -8.4233 -8.4233 -8.4233 -8.4233 -8.2278 -8.2278 -8.2278 -8.2278 -6.9841 -6.9841 -6.9841 -6.9841 -6.3301 -6.3301 -6.3301 -6.3301 -6.2242 -6.2242 -6.2242 -6.2242 -5.2460 -5.2460 -5.2460 -5.2460 -4.9428 -4.9428 -4.9427 -4.9427 -4.3665 -4.3665 -4.3664 -4.3664 -4.1189 -4.1189 -4.1187 -4.1187 -3.6176 -3.6176 -3.6176 -3.6176 -1.7180 -1.7180 -1.7180 -1.7180 2.0425 2.0425 2.0426 2.0426 k = 0.0347 0.1689 0.2976 ( 7750 PWs) bands (ev): -20.7899 -20.7899 -20.7899 -20.7899 -19.8429 -19.8429 -19.8429 -19.8429 -8.4379 -8.4379 -8.4379 -8.4379 -8.2309 -8.2309 -8.2309 -8.2309 -6.9913 -6.9913 -6.9913 -6.9913 -6.3045 -6.3045 -6.3045 -6.3045 -6.2005 -6.2005 -6.2005 -6.2005 -5.2869 -5.2869 -5.2869 -5.2869 -4.9219 -4.9219 -4.9218 -4.9218 -4.3565 -4.3565 -4.3564 -4.3564 -4.1270 -4.1270 -4.1269 -4.1269 -3.6134 -3.6134 -3.6133 -3.6133 -1.6832 -1.6832 -1.6832 -1.6832 2.0108 2.0108 2.0109 2.0109 k = 0.0304 0.1478 0.2976 ( 7740 PWs) bands (ev): -20.7982 -20.7982 -20.7982 -20.7982 -19.8442 -19.8442 -19.8442 -19.8442 -8.4511 -8.4511 -8.4510 -8.4510 -8.2334 -8.2334 -8.2333 -8.2333 -6.9976 -6.9976 -6.9976 -6.9976 -6.2820 -6.2820 -6.2820 -6.2820 -6.1772 -6.1772 -6.1772 -6.1772 -5.3258 -5.3258 -5.3258 -5.3258 -4.9030 -4.9030 -4.9028 -4.9028 -4.3457 -4.3457 -4.3457 -4.3457 -4.1361 -4.1361 -4.1359 -4.1359 -3.6096 -3.6096 -3.6096 -3.6096 -1.6517 -1.6517 -1.6516 -1.6516 1.9825 1.9825 1.9826 1.9826 k = 0.0261 0.1267 0.2976 ( 7748 PWs) bands (ev): -20.8054 -20.8054 -20.8054 -20.8054 -19.8453 -19.8453 -19.8452 -19.8452 -8.4626 -8.4626 -8.4626 -8.4626 -8.2353 -8.2353 -8.2352 -8.2352 -7.0032 -7.0032 -7.0032 -7.0032 -6.2630 -6.2630 -6.2630 -6.2630 -6.1542 -6.1542 -6.1542 -6.1542 -5.3622 -5.3622 -5.3622 -5.3622 -4.8863 -4.8863 -4.8861 -4.8861 -4.3344 -4.3344 -4.3344 -4.3344 -4.1458 -4.1458 -4.1456 -4.1456 -3.6064 -3.6064 -3.6064 -3.6064 -1.6236 -1.6236 -1.6236 -1.6236 1.9578 1.9578 1.9579 1.9579 k = 0.0217 0.1056 0.2976 ( 7752 PWs) bands (ev): -20.8115 -20.8115 -20.8115 -20.8115 -19.8462 -19.8462 -19.8462 -19.8462 -8.4725 -8.4725 -8.4725 -8.4725 -8.2367 -8.2367 -8.2367 -8.2367 -7.0079 -7.0079 -7.0079 -7.0079 -6.2475 -6.2475 -6.2475 -6.2475 -6.1321 -6.1321 -6.1321 -6.1321 -5.3955 -5.3955 -5.3955 -5.3955 -4.8720 -4.8720 -4.8719 -4.8719 -4.3227 -4.3227 -4.3227 -4.3227 -4.1559 -4.1559 -4.1557 -4.1557 -3.6036 -3.6036 -3.6036 -3.6036 -1.5993 -1.5993 -1.5993 -1.5993 1.9367 1.9367 1.9368 1.9368 k = 0.0174 0.0845 0.2976 ( 7752 PWs) bands (ev): -20.8166 -20.8166 -20.8165 -20.8165 -19.8470 -19.8470 -19.8469 -19.8469 -8.4807 -8.4807 -8.4806 -8.4806 -8.2378 -8.2378 -8.2378 -8.2378 -7.0118 -7.0118 -7.0118 -7.0118 -6.2354 -6.2354 -6.2354 -6.2354 -6.1115 -6.1115 -6.1115 -6.1115 -5.4248 -5.4248 -5.4247 -5.4247 -4.8603 -4.8603 -4.8602 -4.8602 -4.3109 -4.3109 -4.3109 -4.3109 -4.1663 -4.1663 -4.1661 -4.1661 -3.6014 -3.6014 -3.6014 -3.6014 -1.5791 -1.5791 -1.5791 -1.5791 1.9194 1.9194 1.9194 1.9194 k = 0.0130 0.0634 0.2976 ( 7752 PWs) bands (ev): -20.8205 -20.8205 -20.8205 -20.8205 -19.8475 -19.8475 -19.8475 -19.8475 -8.4870 -8.4870 -8.4870 -8.4870 -8.2386 -8.2386 -8.2385 -8.2385 -7.0149 -7.0149 -7.0149 -7.0149 -6.2263 -6.2263 -6.2263 -6.2263 -6.0936 -6.0936 -6.0936 -6.0936 -5.4491 -5.4491 -5.4491 -5.4491 -4.8513 -4.8513 -4.8511 -4.8511 -4.2996 -4.2996 -4.2996 -4.2996 -4.1763 -4.1763 -4.1761 -4.1761 -3.5996 -3.5996 -3.5996 -3.5996 -1.5632 -1.5632 -1.5632 -1.5632 1.9058 1.9058 1.9058 1.9058 k = 0.0087 0.0422 0.2976 ( 7748 PWs) bands (ev): -20.8233 -20.8233 -20.8233 -20.8233 -19.8480 -19.8480 -19.8479 -19.8479 -8.4916 -8.4916 -8.4916 -8.4916 -8.2390 -8.2390 -8.2390 -8.2390 -7.0170 -7.0170 -7.0170 -7.0170 -6.2201 -6.2201 -6.2201 -6.2201 -6.0797 -6.0797 -6.0797 -6.0797 -5.4675 -5.4675 -5.4675 -5.4675 -4.8448 -4.8448 -4.8446 -4.8446 -4.2897 -4.2897 -4.2897 -4.2897 -4.1851 -4.1851 -4.1849 -4.1849 -3.5984 -3.5984 -3.5984 -3.5984 -1.5517 -1.5517 -1.5517 -1.5517 1.8960 1.8960 1.8961 1.8961 k = 0.0043 0.0211 0.2976 ( 7748 PWs) bands (ev): -20.8250 -20.8250 -20.8250 -20.8250 -19.8482 -19.8482 -19.8482 -19.8482 -8.4944 -8.4944 -8.4943 -8.4943 -8.2393 -8.2393 -8.2393 -8.2393 -7.0184 -7.0184 -7.0184 -7.0184 -6.2164 -6.2164 -6.2164 -6.2164 -6.0708 -6.0708 -6.0708 -6.0708 -5.4791 -5.4791 -5.4791 -5.4791 -4.8409 -4.8409 -4.8407 -4.8407 -4.2826 -4.2826 -4.2826 -4.2826 -4.1916 -4.1916 -4.1914 -4.1914 -3.5977 -3.5977 -3.5976 -3.5976 -1.5447 -1.5447 -1.5447 -1.5447 1.8902 1.8902 1.8902 1.8902 k = 0.0000 0.0000 0.2976 ( 7752 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -19.8483 -19.8483 -19.8483 -19.8483 -8.4953 -8.4953 -8.4953 -8.4953 -8.2394 -8.2394 -8.2394 -8.2394 -7.0188 -7.0188 -7.0188 -7.0188 -6.2152 -6.2152 -6.2152 -6.2152 -6.0678 -6.0678 -6.0678 -6.0678 -5.4830 -5.4830 -5.4830 -5.4830 -4.8396 -4.8396 -4.8394 -4.8394 -4.2800 -4.2800 -4.2800 -4.2800 -4.1940 -4.1940 -4.1938 -4.1938 -3.5974 -3.5974 -3.5974 -3.5974 -1.5424 -1.5424 -1.5424 -1.5424 1.8882 1.8882 1.8883 1.8883 k = 0.0000 0.0000 0.2976 ( 7752 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -19.8483 -19.8483 -19.8483 -19.8483 -8.4953 -8.4953 -8.4953 -8.4953 -8.2394 -8.2394 -8.2394 -8.2394 -7.0188 -7.0188 -7.0188 -7.0188 -6.2152 -6.2152 -6.2152 -6.2152 -6.0678 -6.0678 -6.0678 -6.0678 -5.4830 -5.4830 -5.4830 -5.4830 -4.8396 -4.8396 -4.8394 -4.8394 -4.2800 -4.2800 -4.2800 -4.2800 -4.1940 -4.1940 -4.1938 -4.1938 -3.5974 -3.5974 -3.5974 -3.5974 -1.5424 -1.5424 -1.5424 -1.5424 1.8882 1.8882 1.8883 1.8883 k = 0.0000 0.0000 0.2764 ( 7748 PWs) bands (ev): -20.8278 -20.8278 -20.8232 -20.8232 -19.8514 -19.8514 -19.8452 -19.8452 -8.5044 -8.5044 -8.4861 -8.4861 -8.2400 -8.2400 -8.2388 -8.2388 -7.0199 -7.0199 -7.0177 -7.0177 -6.2158 -6.2158 -6.2147 -6.2147 -6.0683 -6.0683 -6.0673 -6.0673 -5.4877 -5.4877 -5.4782 -5.4782 -4.8475 -4.8475 -4.8308 -4.8308 -4.2829 -4.2829 -4.2785 -4.2785 -4.2208 -4.2208 -4.1663 -4.1663 -3.6026 -3.6026 -3.5922 -3.5922 -1.5431 -1.5431 -1.5417 -1.5417 1.8520 1.8520 1.9259 1.9259 k = 0.0000 0.0000 0.2551 ( 7752 PWs) bands (ev): -20.8300 -20.8300 -20.8210 -20.8210 -19.8546 -19.8546 -19.8421 -19.8421 -8.5135 -8.5135 -8.4771 -8.4771 -8.2404 -8.2404 -8.2382 -8.2382 -7.0210 -7.0210 -7.0166 -7.0166 -6.2163 -6.2163 -6.2141 -6.2141 -6.0687 -6.0687 -6.0667 -6.0667 -5.4924 -5.4924 -5.4735 -5.4735 -4.8546 -4.8546 -4.8213 -4.8213 -4.2898 -4.2898 -4.2778 -4.2778 -4.2443 -4.2443 -4.1390 -4.1390 -3.6078 -3.6078 -3.5871 -3.5871 -1.5438 -1.5438 -1.5410 -1.5410 1.8173 1.8173 1.9646 1.9646 k = 0.0000 0.0000 0.2338 ( 7764 PWs) bands (ev): -20.8322 -20.8322 -20.8187 -20.8187 -19.8576 -19.8576 -19.8391 -19.8391 -8.5222 -8.5222 -8.4684 -8.4684 -8.2409 -8.2409 -8.2376 -8.2376 -7.0220 -7.0220 -7.0156 -7.0156 -6.2168 -6.2168 -6.2136 -6.2136 -6.0692 -6.0692 -6.0662 -6.0662 -5.4970 -5.4970 -5.4689 -5.4689 -4.8611 -4.8611 -4.8109 -4.8109 -4.3056 -4.3056 -4.2775 -4.2775 -4.2590 -4.2590 -4.1127 -4.1127 -3.6128 -3.6128 -3.5822 -3.5822 -1.5445 -1.5445 -1.5404 -1.5404 1.7846 1.7846 2.0040 2.0040 k = 0.0000 0.0000 0.2126 ( 7760 PWs) bands (ev): -20.8343 -20.8343 -20.8166 -20.8166 -19.8606 -19.8606 -19.8362 -19.8362 -8.5307 -8.5307 -8.4599 -8.4599 -8.2413 -8.2413 -8.2368 -8.2368 -7.0230 -7.0230 -7.0146 -7.0146 -6.2173 -6.2173 -6.2130 -6.2130 -6.0696 -6.0696 -6.0657 -6.0657 -5.5013 -5.5013 -5.4644 -5.4644 -4.8669 -4.8669 -4.7996 -4.7996 -4.3301 -4.3301 -4.2776 -4.2776 -4.2649 -4.2649 -4.0877 -4.0877 -3.6177 -3.6177 -3.5774 -3.5774 -1.5451 -1.5451 -1.5397 -1.5397 1.7540 1.7540 2.0438 2.0438 k = 0.0000 0.0000 0.1913 ( 7753 PWs) bands (ev): -20.8362 -20.8362 -20.8145 -20.8145 -19.8634 -19.8634 -19.8335 -19.8335 -8.5386 -8.5386 -8.4519 -8.4519 -8.2417 -8.2417 -8.2360 -8.2360 -7.0239 -7.0239 -7.0136 -7.0136 -6.2177 -6.2177 -6.2125 -6.2125 -6.0700 -6.0700 -6.0652 -6.0652 -5.5054 -5.5054 -5.4602 -5.4602 -4.8720 -4.8720 -4.7875 -4.7875 -4.3582 -4.3582 -4.2780 -4.2780 -4.2670 -4.2670 -4.0643 -4.0643 -3.6223 -3.6223 -3.5729 -3.5729 -1.5457 -1.5457 -1.5391 -1.5391 1.7258 1.7258 2.0832 2.0832 k = 0.0000 0.0000 0.1701 ( 7753 PWs) bands (ev): -20.8380 -20.8380 -20.8126 -20.8126 -19.8660 -19.8660 -19.8310 -19.8310 -8.5460 -8.5460 -8.4445 -8.4445 -8.2420 -8.2420 -8.2353 -8.2353 -7.0248 -7.0248 -7.0127 -7.0127 -6.2181 -6.2181 -6.2120 -6.2120 -6.0703 -6.0703 -6.0647 -6.0647 -5.5092 -5.5092 -5.4562 -5.4562 -4.8765 -4.8765 -4.7744 -4.7744 -4.3873 -4.3873 -4.2784 -4.2784 -4.2678 -4.2678 -4.0427 -4.0427 -3.6266 -3.6266 -3.5687 -3.5687 -1.5463 -1.5463 -1.5386 -1.5386 1.7000 1.7000 2.1219 2.1219 k = 0.0000 0.0000 0.1488 ( 7753 PWs) bands (ev): -20.8397 -20.8397 -20.8108 -20.8108 -19.8684 -19.8684 -19.8287 -19.8287 -8.5528 -8.5528 -8.4378 -8.4378 -8.2422 -8.2422 -8.2345 -8.2345 -7.0256 -7.0256 -7.0119 -7.0119 -6.2185 -6.2185 -6.2116 -6.2116 -6.0706 -6.0706 -6.0642 -6.0642 -5.5127 -5.5127 -5.4526 -5.4526 -4.8805 -4.8805 -4.7604 -4.7604 -4.4164 -4.4164 -4.2788 -4.2788 -4.2680 -4.2680 -4.0231 -4.0231 -3.6306 -3.6306 -3.5650 -3.5650 -1.5468 -1.5468 -1.5381 -1.5381 1.6769 1.6769 2.1592 2.1592 k = 0.0000 0.0000 0.1276 ( 7751 PWs) bands (ev): -20.8411 -20.8411 -20.8092 -20.8092 -19.8706 -19.8706 -19.8267 -19.8267 -8.5589 -8.5589 -8.4318 -8.4318 -8.2424 -8.2424 -8.2338 -8.2338 -7.0263 -7.0263 -7.0112 -7.0112 -6.2188 -6.2188 -6.2112 -6.2112 -6.0709 -6.0709 -6.0637 -6.0637 -5.5158 -5.5158 -5.4493 -5.4493 -4.8838 -4.8838 -4.7455 -4.7455 -4.4450 -4.4450 -4.2793 -4.2793 -4.2680 -4.2680 -4.0057 -4.0057 -3.6342 -3.6342 -3.5616 -3.5616 -1.5472 -1.5472 -1.5376 -1.5376 1.6566 1.6566 2.1942 2.1942 k = 0.0000 0.0000 0.1063 ( 7747 PWs) bands (ev): -20.8424 -20.8424 -20.8079 -20.8079 -19.8725 -19.8725 -19.8249 -19.8249 -8.5641 -8.5641 -8.4266 -8.4266 -8.2426 -8.2426 -8.2331 -8.2331 -7.0269 -7.0269 -7.0105 -7.0105 -6.2191 -6.2191 -6.2108 -6.2108 -6.0711 -6.0711 -6.0634 -6.0634 -5.5185 -5.5185 -5.4465 -5.4465 -4.8866 -4.8866 -4.7298 -4.7298 -4.4727 -4.4727 -4.2797 -4.2797 -4.2678 -4.2678 -3.9907 -3.9907 -3.6373 -3.6373 -3.5586 -3.5586 -1.5476 -1.5476 -1.5372 -1.5372 1.6393 1.6393 2.2262 2.2262 k = 0.0000 0.0000 0.0850 ( 7755 PWs) bands (ev): -20.8435 -20.8435 -20.8067 -20.8067 -19.8740 -19.8740 -19.8234 -19.8234 -8.5685 -8.5685 -8.4222 -8.4222 -8.2428 -8.2428 -8.2325 -8.2325 -7.0274 -7.0274 -7.0100 -7.0100 -6.2193 -6.2193 -6.2105 -6.2105 -6.0713 -6.0713 -6.0631 -6.0631 -5.5208 -5.5208 -5.4441 -5.4441 -4.8889 -4.8889 -4.7136 -4.7136 -4.4990 -4.4990 -4.2800 -4.2800 -4.2677 -4.2677 -3.9782 -3.9782 -3.6399 -3.6399 -3.5562 -3.5562 -1.5479 -1.5479 -1.5369 -1.5369 1.6249 1.6249 2.2542 2.2542 k = 0.0000 0.0000 0.0638 ( 7749 PWs) bands (ev): -20.8443 -20.8443 -20.8058 -20.8058 -19.8753 -19.8753 -19.8223 -19.8223 -8.5719 -8.5719 -8.4188 -8.4188 -8.2429 -8.2429 -8.2320 -8.2320 -7.0278 -7.0278 -7.0096 -7.0096 -6.2195 -6.2195 -6.2103 -6.2103 -6.0715 -6.0715 -6.0628 -6.0628 -5.5225 -5.5225 -5.4422 -5.4422 -4.8906 -4.8906 -4.6974 -4.6974 -4.5232 -4.5232 -4.2802 -4.2802 -4.2675 -4.2675 -3.9684 -3.9684 -3.6419 -3.6419 -3.5543 -3.5543 -1.5482 -1.5482 -1.5366 -1.5366 1.6136 1.6136 2.2773 2.2773 k = 0.0000 0.0000 0.0425 ( 7751 PWs) bands (ev): -20.8449 -20.8449 -20.8051 -20.8051 -19.8762 -19.8762 -19.8214 -19.8214 -8.5744 -8.5744 -8.4164 -8.4164 -8.2430 -8.2430 -8.2316 -8.2316 -7.0281 -7.0281 -7.0092 -7.0092 -6.2196 -6.2196 -6.2101 -6.2101 -6.0716 -6.0716 -6.0626 -6.0626 -5.5238 -5.5238 -5.4409 -5.4409 -4.8919 -4.8919 -4.6822 -4.6822 -4.5443 -4.5443 -4.2804 -4.2804 -4.2674 -4.2674 -3.9613 -3.9613 -3.6434 -3.6434 -3.5529 -3.5529 -1.5484 -1.5484 -1.5364 -1.5364 1.6055 1.6055 2.2946 2.2946 k = 0.0000 0.0000 0.0213 ( 7761 PWs) bands (ev): -20.8453 -20.8453 -20.8047 -20.8047 -19.8767 -19.8767 -19.8209 -19.8209 -8.5759 -8.5759 -8.4149 -8.4149 -8.2430 -8.2430 -8.2314 -8.2314 -7.0283 -7.0283 -7.0091 -7.0091 -6.2197 -6.2197 -6.2100 -6.2100 -6.0717 -6.0717 -6.0625 -6.0625 -5.5246 -5.5246 -5.4400 -5.4400 -4.8926 -4.8926 -4.6702 -4.6702 -4.5598 -4.5598 -4.2806 -4.2806 -4.2673 -4.2673 -3.9570 -3.9570 -3.6443 -3.6443 -3.5520 -3.5520 -1.5485 -1.5485 -1.5363 -1.5363 1.6007 1.6007 2.3053 2.3053 k = 0.0000 0.0000 0.0000 ( 7749 PWs) bands (ev): -20.8454 -20.8454 -20.8046 -20.8046 -19.8769 -19.8769 -19.8208 -19.8208 -8.5764 -8.5764 -8.4144 -8.4144 -8.2430 -8.2430 -8.2313 -8.2313 -7.0283 -7.0283 -7.0090 -7.0090 -6.2197 -6.2197 -6.2100 -6.2100 -6.0716 -6.0716 -6.0625 -6.0625 -5.5249 -5.5249 -5.4398 -5.4398 -4.8929 -4.8929 -4.6653 -4.6653 -4.5659 -4.5659 -4.2806 -4.2806 -4.2673 -4.2673 -3.9555 -3.9555 -3.6446 -3.6446 -3.5517 -3.5517 -1.5485 -1.5485 -1.5362 -1.5362 1.5990 1.5990 2.3089 2.3089 k = 0.0000 0.0000 0.0000 ( 7749 PWs) bands (ev): -20.8454 -20.8454 -20.8046 -20.8046 -19.8769 -19.8769 -19.8208 -19.8208 -8.5764 -8.5764 -8.4144 -8.4144 -8.2430 -8.2430 -8.2313 -8.2313 -7.0283 -7.0283 -7.0090 -7.0090 -6.2197 -6.2197 -6.2100 -6.2100 -6.0716 -6.0716 -6.0625 -6.0625 -5.5249 -5.5249 -5.4398 -5.4398 -4.8929 -4.8929 -4.6653 -4.6653 -4.5659 -4.5659 -4.2806 -4.2806 -4.2673 -4.2673 -3.9555 -3.9555 -3.6446 -3.6446 -3.5517 -3.5517 -1.5485 -1.5485 -1.5362 -1.5362 1.5990 1.5990 2.3089 2.3089 k =-0.0208 0.0043 0.0000 ( 7755 PWs) bands (ev): -20.8454 -20.8454 -20.8046 -20.8046 -19.8769 -19.8769 -19.8208 -19.8208 -8.5764 -8.5764 -8.4144 -8.4144 -8.2431 -8.2431 -8.2313 -8.2313 -7.0283 -7.0283 -7.0090 -7.0090 -6.2197 -6.2197 -6.2100 -6.2100 -6.0717 -6.0717 -6.0625 -6.0625 -5.5249 -5.5249 -5.4398 -5.4398 -4.8929 -4.8929 -4.6653 -4.6653 -4.5659 -4.5659 -4.2806 -4.2806 -4.2673 -4.2673 -3.9555 -3.9555 -3.6446 -3.6446 -3.5518 -3.5518 -1.5485 -1.5485 -1.5363 -1.5363 1.6007 1.6007 2.3102 2.3102 k =-0.0417 0.0086 0.0000 ( 7761 PWs) bands (ev): -20.8454 -20.8454 -20.8046 -20.8046 -19.8769 -19.8769 -19.8208 -19.8208 -8.5764 -8.5764 -8.4144 -8.4144 -8.2431 -8.2431 -8.2313 -8.2313 -7.0284 -7.0284 -7.0090 -7.0090 -6.2197 -6.2197 -6.2100 -6.2100 -6.0717 -6.0717 -6.0625 -6.0625 -5.5251 -5.5251 -5.4400 -5.4400 -4.8928 -4.8928 -4.6652 -4.6652 -4.5658 -4.5658 -4.2806 -4.2806 -4.2673 -4.2673 -3.9555 -3.9555 -3.6447 -3.6447 -3.5518 -3.5518 -1.5485 -1.5485 -1.5363 -1.5363 1.6056 1.6056 2.3140 2.3140 k =-0.0625 0.0129 0.0000 ( 7759 PWs) bands (ev): -20.8454 -20.8454 -20.8046 -20.8046 -19.8769 -19.8769 -19.8208 -19.8208 -8.5764 -8.5764 -8.4144 -8.4144 -8.2430 -8.2430 -8.2313 -8.2313 -7.0284 -7.0284 -7.0091 -7.0091 -6.2197 -6.2197 -6.2099 -6.2099 -6.0717 -6.0717 -6.0625 -6.0625 -5.5254 -5.5254 -5.4402 -5.4402 -4.8928 -4.8928 -4.6651 -4.6651 -4.5658 -4.5658 -4.2806 -4.2806 -4.2673 -4.2673 -3.9555 -3.9555 -3.6448 -3.6448 -3.5518 -3.5518 -1.5485 -1.5485 -1.5363 -1.5363 1.6138 1.6138 2.3204 2.3204 k =-0.0833 0.0171 0.0000 ( 7755 PWs) bands (ev): -20.8454 -20.8454 -20.8046 -20.8046 -19.8769 -19.8769 -19.8208 -19.8208 -8.5764 -8.5764 -8.4144 -8.4144 -8.2430 -8.2430 -8.2313 -8.2313 -7.0284 -7.0284 -7.0091 -7.0091 -6.2196 -6.2196 -6.2099 -6.2099 -6.0716 -6.0716 -6.0625 -6.0625 -5.5258 -5.5258 -5.4405 -5.4405 -4.8926 -4.8926 -4.6650 -4.6650 -4.5658 -4.5658 -4.2806 -4.2806 -4.2673 -4.2673 -3.9555 -3.9555 -3.6450 -3.6450 -3.5519 -3.5519 -1.5485 -1.5485 -1.5363 -1.5363 1.6253 1.6253 2.3292 2.3292 k =-0.1042 0.0214 0.0000 ( 7761 PWs) bands (ev): -20.8454 -20.8454 -20.8046 -20.8046 -19.8769 -19.8769 -19.8208 -19.8208 -8.5764 -8.5764 -8.4144 -8.4144 -8.2430 -8.2430 -8.2313 -8.2313 -7.0285 -7.0285 -7.0091 -7.0091 -6.2195 -6.2195 -6.2099 -6.2099 -6.0716 -6.0716 -6.0625 -6.0625 -5.5263 -5.5263 -5.4409 -5.4409 -4.8925 -4.8925 -4.6649 -4.6649 -4.5658 -4.5658 -4.2806 -4.2806 -4.2673 -4.2673 -3.9555 -3.9555 -3.6451 -3.6451 -3.5520 -3.5520 -1.5485 -1.5485 -1.5363 -1.5363 1.6401 1.6401 2.3406 2.3406 k =-0.1250 0.0257 0.0000 ( 7777 PWs) bands (ev): -20.8454 -20.8454 -20.8046 -20.8046 -19.8769 -19.8769 -19.8208 -19.8208 -8.5764 -8.5764 -8.4144 -8.4144 -8.2430 -8.2430 -8.2313 -8.2313 -7.0286 -7.0286 -7.0091 -7.0091 -6.2195 -6.2195 -6.2098 -6.2098 -6.0716 -6.0716 -6.0625 -6.0625 -5.5269 -5.5269 -5.4414 -5.4414 -4.8924 -4.8924 -4.6647 -4.6647 -4.5657 -4.5657 -4.2806 -4.2806 -4.2673 -4.2673 -3.9555 -3.9555 -3.6454 -3.6454 -3.5521 -3.5521 -1.5486 -1.5486 -1.5363 -1.5363 1.6580 1.6580 2.3545 2.3545 k =-0.1458 0.0300 0.0000 ( 7769 PWs) bands (ev): -20.8454 -20.8454 -20.8046 -20.8046 -19.8769 -19.8769 -19.8208 -19.8208 -8.5764 -8.5764 -8.4144 -8.4144 -8.2430 -8.2430 -8.2313 -8.2313 -7.0286 -7.0286 -7.0091 -7.0091 -6.2194 -6.2194 -6.2097 -6.2097 -6.0716 -6.0716 -6.0625 -6.0625 -5.5276 -5.5276 -5.4420 -5.4420 -4.8922 -4.8922 -4.6645 -4.6645 -4.5657 -4.5657 -4.2806 -4.2806 -4.2673 -4.2673 -3.9555 -3.9555 -3.6456 -3.6456 -3.5522 -3.5522 -1.5485 -1.5485 -1.5363 -1.5363 1.6792 1.6792 2.3708 2.3708 k =-0.1667 0.0343 0.0000 ( 7783 PWs) bands (ev): -20.8454 -20.8454 -20.8046 -20.8046 -19.8769 -19.8769 -19.8208 -19.8208 -8.5764 -8.5764 -8.4144 -8.4144 -8.2430 -8.2430 -8.2313 -8.2313 -7.0287 -7.0287 -7.0091 -7.0091 -6.2194 -6.2194 -6.2097 -6.2097 -6.0717 -6.0717 -6.0625 -6.0625 -5.5284 -5.5284 -5.4426 -5.4426 -4.8920 -4.8920 -4.6643 -4.6643 -4.5656 -4.5656 -4.2806 -4.2806 -4.2673 -4.2673 -3.9555 -3.9555 -3.6459 -3.6459 -3.5523 -3.5523 -1.5486 -1.5486 -1.5363 -1.5363 1.7035 1.7035 2.3896 2.3896 k =-0.1875 0.0386 0.0000 ( 7781 PWs) bands (ev): -20.8454 -20.8454 -20.8046 -20.8046 -19.8769 -19.8769 -19.8208 -19.8208 -8.5764 -8.5764 -8.4144 -8.4144 -8.2430 -8.2430 -8.2313 -8.2313 -7.0288 -7.0288 -7.0092 -7.0092 -6.2193 -6.2193 -6.2096 -6.2096 -6.0716 -6.0716 -6.0625 -6.0625 -5.5292 -5.5292 -5.4433 -5.4433 -4.8918 -4.8918 -4.6640 -4.6640 -4.5656 -4.5656 -4.2806 -4.2806 -4.2673 -4.2673 -3.9555 -3.9555 -3.6462 -3.6462 -3.5524 -3.5524 -1.5486 -1.5486 -1.5363 -1.5363 1.7309 1.7309 2.4107 2.4107 k =-0.2083 0.0428 0.0000 ( 7771 PWs) bands (ev): -20.8454 -20.8454 -20.8046 -20.8046 -19.8769 -19.8769 -19.8207 -19.8207 -8.5764 -8.5764 -8.4144 -8.4144 -8.2430 -8.2430 -8.2313 -8.2313 -7.0288 -7.0288 -7.0092 -7.0092 -6.2191 -6.2191 -6.2095 -6.2095 -6.0716 -6.0716 -6.0624 -6.0624 -5.5301 -5.5301 -5.4440 -5.4440 -4.8916 -4.8916 -4.6638 -4.6638 -4.5655 -4.5655 -4.2806 -4.2806 -4.2673 -4.2673 -3.9555 -3.9555 -3.6465 -3.6465 -3.5525 -3.5525 -1.5486 -1.5486 -1.5363 -1.5363 1.7613 1.7613 2.4342 2.4342 k =-0.2292 0.0471 0.0000 ( 7786 PWs) bands (ev): -20.8454 -20.8454 -20.8046 -20.8046 -19.8769 -19.8769 -19.8207 -19.8207 -8.5764 -8.5764 -8.4144 -8.4144 -8.2430 -8.2430 -8.2313 -8.2313 -7.0289 -7.0289 -7.0093 -7.0093 -6.2191 -6.2191 -6.2094 -6.2094 -6.0716 -6.0716 -6.0625 -6.0625 -5.5310 -5.5310 -5.4447 -5.4447 -4.8914 -4.8914 -4.6635 -4.6635 -4.5654 -4.5654 -4.2806 -4.2806 -4.2673 -4.2673 -3.9555 -3.9555 -3.6468 -3.6468 -3.5527 -3.5527 -1.5486 -1.5486 -1.5363 -1.5363 1.7948 1.7948 2.4601 2.4601 k =-0.2500 0.0514 0.0000 ( 7792 PWs) bands (ev): -20.8454 -20.8454 -20.8046 -20.8046 -19.8769 -19.8769 -19.8207 -19.8207 -8.5764 -8.5764 -8.4144 -8.4144 -8.2430 -8.2430 -8.2313 -8.2313 -7.0290 -7.0290 -7.0093 -7.0093 -6.2190 -6.2190 -6.2093 -6.2093 -6.0716 -6.0716 -6.0624 -6.0624 -5.5319 -5.5319 -5.4454 -5.4454 -4.8912 -4.8912 -4.6632 -4.6632 -4.5654 -4.5654 -4.2806 -4.2806 -4.2673 -4.2673 -3.9555 -3.9555 -3.6472 -3.6472 -3.5528 -3.5528 -1.5486 -1.5486 -1.5363 -1.5363 1.8311 1.8311 2.4881 2.4881 k =-0.2708 0.0557 0.0000 ( 7786 PWs) bands (ev): -20.8454 -20.8454 -20.8046 -20.8046 -19.8769 -19.8769 -19.8207 -19.8207 -8.5764 -8.5764 -8.4144 -8.4144 -8.2430 -8.2430 -8.2313 -8.2313 -7.0290 -7.0290 -7.0093 -7.0093 -6.2189 -6.2189 -6.2092 -6.2092 -6.0716 -6.0716 -6.0624 -6.0624 -5.5328 -5.5328 -5.4462 -5.4462 -4.8910 -4.8910 -4.6629 -4.6629 -4.5653 -4.5653 -4.2806 -4.2806 -4.2673 -4.2673 -3.9555 -3.9555 -3.6475 -3.6475 -3.5529 -3.5529 -1.5486 -1.5486 -1.5363 -1.5363 1.8704 1.8704 2.5184 2.5184 k =-0.2917 0.0600 0.0000 ( 7778 PWs) bands (ev): -20.8454 -20.8454 -20.8046 -20.8046 -19.8769 -19.8769 -19.8207 -19.8207 -8.5764 -8.5764 -8.4144 -8.4144 -8.2430 -8.2430 -8.2313 -8.2313 -7.0291 -7.0291 -7.0093 -7.0093 -6.2187 -6.2187 -6.2092 -6.2092 -6.0715 -6.0715 -6.0624 -6.0624 -5.5337 -5.5337 -5.4469 -5.4469 -4.8908 -4.8908 -4.6627 -4.6627 -4.5653 -4.5653 -4.2806 -4.2806 -4.2673 -4.2673 -3.9555 -3.9555 -3.6478 -3.6478 -3.5531 -3.5531 -1.5486 -1.5486 -1.5363 -1.5363 1.9124 1.9124 2.5507 2.5507 k =-0.3125 0.0643 0.0000 ( 7786 PWs) bands (ev): -20.8454 -20.8454 -20.8046 -20.8046 -19.8769 -19.8769 -19.8207 -19.8207 -8.5763 -8.5763 -8.4144 -8.4144 -8.2430 -8.2430 -8.2313 -8.2313 -7.0292 -7.0292 -7.0094 -7.0094 -6.2187 -6.2187 -6.2091 -6.2091 -6.0715 -6.0715 -6.0624 -6.0624 -5.5346 -5.5346 -5.4476 -5.4476 -4.8906 -4.8906 -4.6624 -4.6624 -4.5652 -4.5652 -4.2806 -4.2806 -4.2673 -4.2673 -3.9555 -3.9555 -3.6481 -3.6481 -3.5532 -3.5532 -1.5486 -1.5486 -1.5363 -1.5363 1.9571 1.9571 2.5852 2.5852 k =-0.3333 0.0686 0.0000 ( 7788 PWs) bands (ev): -20.8454 -20.8454 -20.8046 -20.8046 -19.8769 -19.8769 -19.8207 -19.8207 -8.5763 -8.5763 -8.4144 -8.4144 -8.2430 -8.2430 -8.2314 -8.2314 -7.0293 -7.0293 -7.0094 -7.0094 -6.2186 -6.2186 -6.2091 -6.2091 -6.0715 -6.0715 -6.0624 -6.0624 -5.5354 -5.5354 -5.4483 -5.4483 -4.8904 -4.8904 -4.6622 -4.6622 -4.5652 -4.5652 -4.2806 -4.2806 -4.2673 -4.2673 -3.9555 -3.9555 -3.6485 -3.6485 -3.5533 -3.5533 -1.5486 -1.5486 -1.5363 -1.5363 2.0044 2.0044 2.6215 2.6215 k =-0.3542 0.0728 0.0000 ( 7782 PWs) bands (ev): -20.8454 -20.8454 -20.8046 -20.8046 -19.8769 -19.8769 -19.8207 -19.8207 -8.5763 -8.5763 -8.4144 -8.4144 -8.2430 -8.2430 -8.2314 -8.2314 -7.0293 -7.0293 -7.0094 -7.0094 -6.2185 -6.2185 -6.2090 -6.2090 -6.0714 -6.0714 -6.0624 -6.0624 -5.5362 -5.5362 -5.4489 -5.4489 -4.8902 -4.8902 -4.6619 -4.6619 -4.5651 -4.5651 -4.2806 -4.2806 -4.2673 -4.2673 -3.9555 -3.9555 -3.6487 -3.6487 -3.5534 -3.5534 -1.5486 -1.5486 -1.5363 -1.5363 2.0541 2.0541 2.6598 2.6598 k =-0.3750 0.0771 0.0000 ( 7764 PWs) bands (ev): -20.8454 -20.8454 -20.8046 -20.8046 -19.8769 -19.8769 -19.8207 -19.8207 -8.5763 -8.5763 -8.4144 -8.4144 -8.2430 -8.2430 -8.2313 -8.2313 -7.0293 -7.0293 -7.0094 -7.0094 -6.2184 -6.2184 -6.2089 -6.2089 -6.0714 -6.0714 -6.0623 -6.0623 -5.5369 -5.5369 -5.4494 -5.4494 -4.8900 -4.8900 -4.6617 -4.6617 -4.5651 -4.5651 -4.2806 -4.2806 -4.2673 -4.2673 -3.9555 -3.9555 -3.6490 -3.6490 -3.5535 -3.5535 -1.5486 -1.5486 -1.5362 -1.5362 2.1061 2.1061 2.6997 2.6997 k =-0.3958 0.0814 0.0000 ( 7776 PWs) bands (ev): -20.8454 -20.8454 -20.8046 -20.8046 -19.8769 -19.8769 -19.8207 -19.8207 -8.5763 -8.5763 -8.4144 -8.4144 -8.2429 -8.2429 -8.2313 -8.2313 -7.0294 -7.0294 -7.0094 -7.0094 -6.2183 -6.2183 -6.2089 -6.2089 -6.0714 -6.0714 -6.0623 -6.0623 -5.5375 -5.5375 -5.4499 -5.4499 -4.8898 -4.8898 -4.6616 -4.6616 -4.5650 -4.5650 -4.2806 -4.2806 -4.2673 -4.2673 -3.9555 -3.9555 -3.6492 -3.6492 -3.5536 -3.5536 -1.5486 -1.5486 -1.5362 -1.5362 2.1600 2.1600 2.7410 2.7410 k =-0.4167 0.0857 0.0000 ( 7776 PWs) bands (ev): -20.8453 -20.8453 -20.8046 -20.8046 -19.8769 -19.8769 -19.8207 -19.8207 -8.5763 -8.5763 -8.4144 -8.4144 -8.2429 -8.2429 -8.2313 -8.2313 -7.0294 -7.0294 -7.0094 -7.0094 -6.2183 -6.2183 -6.2088 -6.2088 -6.0714 -6.0714 -6.0623 -6.0623 -5.5380 -5.5380 -5.4503 -5.4503 -4.8897 -4.8897 -4.6614 -4.6614 -4.5650 -4.5650 -4.2806 -4.2806 -4.2673 -4.2673 -3.9555 -3.9555 -3.6494 -3.6494 -3.5537 -3.5537 -1.5486 -1.5486 -1.5362 -1.5362 2.2156 2.2156 2.7808 2.7820 k =-0.4375 0.0900 0.0000 ( 7784 PWs) bands (ev): -20.8453 -20.8453 -20.8046 -20.8046 -19.8769 -19.8769 -19.8207 -19.8207 -8.5763 -8.5763 -8.4144 -8.4144 -8.2429 -8.2429 -8.2313 -8.2313 -7.0295 -7.0295 -7.0094 -7.0094 -6.2183 -6.2183 -6.2088 -6.2088 -6.0714 -6.0714 -6.0623 -6.0623 -5.5384 -5.5384 -5.4506 -5.4506 -4.8896 -4.8896 -4.6613 -4.6613 -4.5650 -4.5650 -4.2806 -4.2806 -4.2673 -4.2673 -3.9555 -3.9555 -3.6495 -3.6495 -3.5537 -3.5537 -1.5486 -1.5486 -1.5362 -1.5362 2.2719 2.2719 2.7115 2.7115 k =-0.4583 0.0943 0.0000 ( 7772 PWs) bands (ev): -20.8453 -20.8453 -20.8046 -20.8046 -19.8769 -19.8769 -19.8207 -19.8207 -8.5763 -8.5763 -8.4144 -8.4144 -8.2429 -8.2429 -8.2313 -8.2313 -7.0295 -7.0295 -7.0094 -7.0094 -6.2182 -6.2182 -6.2087 -6.2087 -6.0714 -6.0714 -6.0623 -6.0623 -5.5387 -5.5387 -5.4509 -5.4509 -4.8896 -4.8896 -4.6612 -4.6612 -4.5649 -4.5649 -4.2806 -4.2806 -4.2673 -4.2673 -3.9555 -3.9555 -3.6496 -3.6496 -3.5538 -3.5538 -1.5486 -1.5486 -1.5362 -1.5362 2.3269 2.3269 2.6471 2.6471 k =-0.4792 0.0985 0.0000 ( 7766 PWs) bands (ev): -20.8453 -20.8453 -20.8046 -20.8046 -19.8769 -19.8769 -19.8207 -19.8207 -8.5763 -8.5763 -8.4144 -8.4144 -8.2429 -8.2429 -8.2314 -8.2314 -7.0295 -7.0295 -7.0094 -7.0094 -6.2182 -6.2182 -6.2087 -6.2087 -6.0714 -6.0714 -6.0623 -6.0623 -5.5389 -5.5389 -5.4510 -5.4510 -4.8895 -4.8895 -4.6612 -4.6612 -4.5649 -4.5649 -4.2806 -4.2806 -4.2673 -4.2673 -3.9555 -3.9555 -3.6497 -3.6497 -3.5538 -3.5538 -1.5486 -1.5486 -1.5362 -1.5362 2.3749 2.3749 2.5935 2.5935 k =-0.5000 0.1028 0.0000 ( 7762 PWs) bands (ev): -20.8453 -20.8453 -20.8046 -20.8046 -19.8769 -19.8769 -19.8207 -19.8207 -8.5763 -8.5763 -8.4144 -8.4144 -8.2429 -8.2429 -8.2313 -8.2313 -7.0295 -7.0295 -7.0094 -7.0094 -6.2182 -6.2182 -6.2086 -6.2086 -6.0713 -6.0713 -6.0623 -6.0623 -5.5389 -5.5389 -5.4511 -5.4511 -4.8895 -4.8895 -4.6611 -4.6611 -4.5649 -4.5649 -4.2806 -4.2806 -4.2673 -4.2673 -3.9555 -3.9555 -3.6497 -3.6497 -3.5538 -3.5538 -1.5486 -1.5486 -1.5362 -1.5362 2.3974 2.3974 2.5691 2.5691 k =-0.5000 0.1028 0.0000 ( 7762 PWs) bands (ev): -20.8453 -20.8453 -20.8046 -20.8046 -19.8769 -19.8769 -19.8207 -19.8207 -8.5763 -8.5763 -8.4144 -8.4144 -8.2429 -8.2429 -8.2313 -8.2313 -7.0295 -7.0295 -7.0094 -7.0094 -6.2182 -6.2182 -6.2086 -6.2086 -6.0713 -6.0713 -6.0623 -6.0623 -5.5389 -5.5389 -5.4511 -5.4511 -4.8895 -4.8895 -4.6611 -4.6611 -4.5649 -4.5649 -4.2806 -4.2806 -4.2673 -4.2673 -3.9555 -3.9555 -3.6497 -3.6497 -3.5538 -3.5538 -1.5486 -1.5486 -1.5362 -1.5362 2.3974 2.3974 2.5691 2.5691 k =-0.4956 0.1240-0.0000 ( 7766 PWs) bands (ev): -20.8448 -20.8448 -20.8040 -20.8040 -19.8768 -19.8768 -19.8207 -19.8207 -8.5753 -8.5753 -8.4135 -8.4135 -8.2428 -8.2428 -8.2312 -8.2312 -7.0291 -7.0291 -7.0090 -7.0090 -6.2194 -6.2194 -6.2099 -6.2099 -6.0747 -6.0747 -6.0652 -6.0652 -5.5347 -5.5347 -5.4472 -5.4472 -4.8908 -4.8908 -4.6640 -4.6640 -4.5641 -4.5641 -4.2815 -4.2815 -4.2664 -4.2664 -3.9552 -3.9552 -3.6500 -3.6500 -3.5541 -3.5541 -1.5511 -1.5511 -1.5383 -1.5383 2.3998 2.3998 2.5702 2.5702 k =-0.4913 0.1452-0.0000 ( 7758 PWs) bands (ev): -20.8431 -20.8431 -20.8023 -20.8023 -19.8765 -19.8765 -19.8204 -19.8204 -8.5723 -8.5723 -8.4109 -8.4109 -8.2424 -8.2424 -8.2310 -8.2310 -7.0277 -7.0277 -7.0077 -7.0077 -6.2231 -6.2231 -6.2138 -6.2138 -6.0844 -6.0844 -6.0736 -6.0736 -5.5223 -5.5223 -5.4360 -5.4360 -4.8946 -4.8946 -4.6725 -4.6725 -4.5616 -4.5616 -4.2841 -4.2841 -4.2639 -4.2639 -3.9545 -3.9545 -3.6506 -3.6506 -3.5548 -3.5548 -1.5587 -1.5587 -1.5445 -1.5445 2.4070 2.4070 2.5734 2.5734 k =-0.4869 0.1663-0.0000 ( 7768 PWs) bands (ev): -20.8402 -20.8402 -20.7995 -20.7995 -19.8761 -19.8761 -19.8200 -19.8200 -8.5674 -8.5674 -8.4067 -8.4067 -8.2419 -8.2419 -8.2306 -8.2306 -7.0255 -7.0255 -7.0055 -7.0055 -6.2294 -6.2294 -6.2204 -6.2204 -6.0995 -6.0995 -6.0869 -6.0869 -5.5027 -5.5027 -5.4179 -5.4179 -4.9009 -4.9009 -4.6861 -4.6861 -4.5576 -4.5576 -4.2882 -4.2882 -4.2601 -4.2601 -3.9533 -3.9533 -3.6518 -3.6518 -3.5562 -3.5562 -1.5713 -1.5713 -1.5549 -1.5549 2.4189 2.4189 2.5787 2.5787 k =-0.4826 0.1875-0.0000 ( 7762 PWs) bands (ev): -20.8363 -20.8363 -20.7956 -20.7956 -19.8754 -19.8754 -19.8195 -19.8195 -8.5605 -8.5605 -8.4008 -8.4008 -8.2410 -8.2410 -8.2298 -8.2298 -7.0224 -7.0224 -7.0025 -7.0025 -6.2386 -6.2386 -6.2298 -6.2298 -6.1186 -6.1186 -6.1039 -6.1039 -5.4771 -5.4771 -5.3940 -5.3940 -4.9097 -4.9097 -4.7044 -4.7044 -4.5521 -4.5521 -4.2939 -4.2939 -4.2554 -4.2554 -3.9517 -3.9517 -3.6534 -3.6534 -3.5581 -3.5581 -1.5887 -1.5887 -1.5691 -1.5691 2.4355 2.4355 2.5862 2.5862 k =-0.4782 0.2087-0.0000 ( 7770 PWs) bands (ev): -20.8312 -20.8312 -20.7905 -20.7905 -19.8746 -19.8746 -19.8188 -19.8188 -8.5517 -8.5517 -8.3934 -8.3934 -8.2399 -8.2399 -8.2288 -8.2288 -7.0184 -7.0184 -6.9987 -6.9987 -6.2510 -6.2510 -6.2425 -6.2425 -6.1404 -6.1404 -6.1236 -6.1236 -5.4464 -5.4464 -5.3651 -5.3651 -4.9208 -4.9208 -4.7267 -4.7267 -4.5453 -4.5453 -4.3009 -4.3009 -4.2502 -4.2502 -3.9499 -3.9499 -3.6555 -3.6555 -3.5604 -3.5604 -1.6107 -1.6107 -1.5872 -1.5872 2.4567 2.4567 2.5958 2.5958 k =-0.4739 0.2298-0.0000 ( 7770 PWs) bands (ev): -20.8250 -20.8250 -20.7844 -20.7844 -19.8736 -19.8736 -19.8180 -19.8180 -8.5410 -8.5410 -8.3846 -8.3846 -8.2384 -8.2384 -8.2272 -8.2272 -7.0135 -7.0135 -6.9940 -6.9940 -6.2668 -6.2668 -6.2585 -6.2585 -6.1635 -6.1635 -6.1448 -6.1448 -5.4119 -5.4119 -5.3322 -5.3322 -4.9342 -4.9342 -4.7523 -4.7523 -4.5372 -4.5372 -4.3091 -4.3091 -4.2450 -4.2450 -3.9479 -3.9479 -3.6581 -3.6581 -3.5634 -3.5634 -1.6373 -1.6373 -1.6089 -1.6089 2.4824 2.4824 2.6075 2.6075 k =-0.4695 0.2510-0.0000 ( 7766 PWs) bands (ev): -20.8178 -20.8178 -20.7772 -20.7772 -19.8724 -19.8724 -19.8170 -19.8170 -8.5283 -8.5283 -8.3744 -8.3744 -8.2366 -8.2366 -8.2250 -8.2250 -7.0078 -7.0078 -6.9885 -6.9885 -6.2864 -6.2864 -6.2780 -6.2780 -6.1871 -6.1871 -6.1670 -6.1670 -5.3744 -5.3744 -5.2960 -5.2960 -4.9498 -4.9498 -4.7806 -4.7806 -4.5280 -4.5280 -4.3184 -4.3184 -4.2402 -4.2402 -3.9458 -3.9458 -3.6611 -3.6611 -3.5668 -3.5668 -1.6681 -1.6681 -1.6339 -1.6339 2.5124 2.5124 2.6213 2.6213 k =-0.4652 0.2722-0.0000 ( 7774 PWs) bands (ev): -20.8094 -20.8094 -20.7689 -20.7689 -19.8711 -19.8711 -19.8158 -19.8158 -8.5138 -8.5138 -8.3631 -8.3631 -8.2343 -8.2343 -8.2219 -8.2219 -7.0013 -7.0013 -6.9822 -6.9822 -6.3097 -6.3097 -6.3009 -6.3009 -6.2108 -6.2108 -6.1898 -6.1898 -5.3344 -5.3344 -5.2571 -5.2571 -4.9672 -4.9672 -4.8111 -4.8111 -4.5178 -4.5178 -4.3287 -4.3287 -4.2359 -4.2359 -3.9439 -3.9439 -3.6646 -3.6646 -3.5708 -3.5708 -1.7028 -1.7028 -1.6620 -1.6620 2.5466 2.5466 2.6372 2.6372 k =-0.4608 0.2933-0.0000 ( 7762 PWs) bands (ev): -20.8000 -20.8000 -20.7595 -20.7595 -19.8695 -19.8695 -19.8146 -19.8146 -8.4974 -8.4974 -8.3510 -8.3510 -8.2315 -8.2315 -8.2175 -8.2175 -6.9940 -6.9940 -6.9751 -6.9751 -6.3361 -6.3361 -6.3268 -6.3268 -6.2346 -6.2346 -6.2132 -6.2132 -5.2927 -5.2927 -5.2162 -5.2162 -4.9863 -4.9863 -4.8431 -4.8431 -4.5069 -4.5069 -4.3397 -4.3397 -4.2324 -4.2324 -3.9424 -3.9424 -3.6686 -3.6686 -3.5753 -3.5753 -1.7412 -1.7412 -1.6927 -1.6927 2.5849 2.5849 2.6552 2.6552 k =-0.4565 0.3145-0.0000 ( 7758 PWs) bands (ev): -20.7896 -20.7896 -20.7492 -20.7492 -19.8679 -19.8679 -19.8131 -19.8131 -8.4793 -8.4793 -8.3385 -8.3385 -8.2282 -8.2282 -8.2116 -8.2116 -6.9860 -6.9860 -6.9674 -6.9674 -6.3650 -6.3650 -6.3550 -6.3550 -6.2591 -6.2591 -6.2375 -6.2375 -5.2498 -5.2498 -5.1737 -5.1737 -5.0064 -5.0064 -4.8760 -4.8760 -4.4954 -4.4954 -4.3513 -4.3513 -4.2300 -4.2300 -3.9414 -3.9414 -3.6730 -3.6730 -3.5803 -3.5803 -1.7828 -1.7828 -1.7258 -1.7258 2.6270 2.6270 2.6753 2.6753 k =-0.4521 0.3357-0.0000 ( 7762 PWs) bands (ev): -20.7781 -20.7781 -20.7378 -20.7378 -19.8660 -19.8660 -19.8116 -19.8116 -8.4594 -8.4594 -8.3261 -8.3261 -8.2243 -8.2243 -8.2034 -8.2034 -6.9772 -6.9772 -6.9589 -6.9589 -6.3957 -6.3957 -6.3850 -6.3850 -6.2848 -6.2848 -6.2631 -6.2631 -5.2065 -5.2065 -5.1302 -5.1302 -5.0270 -5.0270 -4.9091 -4.9091 -4.4835 -4.4835 -4.3635 -4.3635 -4.2286 -4.2286 -3.9414 -3.9414 -3.6779 -3.6779 -3.5858 -3.5858 -1.8272 -1.8272 -1.7607 -1.7607 2.6727 2.6727 2.6976 2.6976 k =-0.4478 0.3568-0.0000 ( 7758 PWs) bands (ev): -20.7656 -20.7656 -20.7254 -20.7254 -19.8640 -19.8640 -19.8099 -19.8099 -8.4380 -8.4380 -8.3142 -8.3142 -8.2196 -8.2196 -8.1926 -8.1926 -6.9677 -6.9677 -6.9498 -6.9498 -6.4276 -6.4276 -6.4163 -6.4163 -6.3122 -6.3122 -6.2904 -6.2904 -5.1646 -5.1646 -5.0868 -5.0868 -5.0458 -5.0458 -4.9412 -4.9412 -4.4716 -4.4716 -4.3762 -4.3762 -4.2284 -4.2284 -3.9425 -3.9425 -3.6832 -3.6832 -3.5918 -3.5918 -1.8741 -1.8741 -1.7971 -1.7971 2.7193 2.7193 2.7245 2.7245 k =-0.4434 0.3780-0.0000 ( 7754 PWs) bands (ev): -20.7522 -20.7522 -20.7121 -20.7121 -19.8619 -19.8619 -19.8081 -19.8081 -8.4150 -8.4150 -8.3033 -8.3033 -8.2141 -8.2141 -8.1786 -8.1786 -6.9576 -6.9576 -6.9401 -6.9401 -6.4601 -6.4601 -6.4484 -6.4484 -6.3418 -6.3418 -6.3199 -6.3199 -5.1314 -5.1314 -5.0578 -5.0578 -5.0453 -5.0453 -4.9680 -4.9680 -4.4599 -4.4599 -4.3892 -4.3892 -4.2295 -4.2295 -3.9451 -3.9451 -3.6890 -3.6890 -3.5984 -3.5984 -1.9229 -1.9229 -1.8345 -1.8345 2.7475 2.7475 2.7752 2.7752 k =-0.4391 0.3992-0.0000 ( 7762 PWs) bands (ev): -20.7379 -20.7379 -20.6978 -20.6978 -19.8596 -19.8596 -19.8062 -19.8062 -8.3907 -8.3907 -8.2935 -8.2935 -8.2075 -8.2075 -8.1613 -8.1613 -6.9470 -6.9470 -6.9300 -6.9300 -6.4930 -6.4930 -6.4810 -6.4810 -6.3738 -6.3738 -6.3517 -6.3517 -5.1258 -5.1258 -5.0416 -5.0416 -5.0304 -5.0304 -4.9669 -4.9669 -4.4489 -4.4489 -4.4025 -4.4025 -4.2319 -4.2319 -3.9496 -3.9496 -3.6953 -3.6953 -3.6054 -3.6054 -1.9732 -1.9732 -1.8723 -1.8723 2.7758 2.7758 2.8310 2.8310 k =-0.4347 0.4203-0.0000 ( 7770 PWs) bands (ev): -20.7226 -20.7226 -20.6827 -20.6827 -19.8572 -19.8572 -19.8042 -19.8042 -8.3653 -8.3653 -8.2848 -8.2848 -8.1996 -8.1996 -8.1406 -8.1406 -6.9359 -6.9359 -6.9195 -6.9195 -6.5259 -6.5259 -6.5138 -6.5138 -6.4084 -6.4084 -6.3862 -6.3862 -5.1413 -5.1413 -5.0560 -5.0560 -4.9979 -4.9979 -4.9295 -4.9295 -4.4388 -4.4388 -4.4162 -4.4162 -4.2356 -4.2356 -3.9563 -3.9563 -3.7020 -3.7020 -3.6129 -3.6129 -2.0245 -2.0245 -1.9099 -1.9099 2.8061 2.8061 2.8897 2.8897 k =-0.4303 0.4415-0.0000 ( 7770 PWs) bands (ev): -20.7065 -20.7065 -20.6667 -20.6667 -19.8547 -19.8547 -19.8021 -19.8021 -8.3392 -8.3392 -8.2770 -8.2770 -8.1899 -8.1899 -8.1168 -8.1168 -6.9246 -6.9246 -6.9089 -6.9089 -6.5585 -6.5585 -6.5464 -6.5464 -6.4457 -6.4457 -6.4232 -6.4232 -5.1621 -5.1621 -5.0840 -5.0840 -4.9522 -4.9522 -4.8835 -4.8835 -4.4315 -4.4315 -4.4287 -4.4287 -4.2407 -4.2407 -3.9656 -3.9656 -3.7092 -3.7092 -3.6209 -3.6209 -2.0760 -2.0760 -1.9469 -1.9469 2.8383 2.8383 2.9513 2.9513 k =-0.4260 0.4627-0.0000 ( 7760 PWs) bands (ev): -20.6895 -20.6895 -20.6499 -20.6499 -19.8520 -19.8520 -19.7999 -19.7999 -8.3127 -8.3127 -8.2696 -8.2696 -8.1781 -8.1781 -8.0902 -8.0902 -6.9133 -6.9133 -6.8985 -6.8985 -6.5905 -6.5905 -6.5787 -6.5787 -6.4857 -6.4857 -6.4628 -6.4628 -5.1840 -5.1840 -5.1123 -5.1123 -4.9042 -4.9042 -4.8354 -4.8354 -4.4446 -4.4446 -4.4230 -4.4230 -4.2471 -4.2471 -3.9780 -3.9780 -3.7168 -3.7168 -3.6294 -3.6294 -2.1274 -2.1274 -1.9826 -1.9826 2.8725 2.8725 3.0156 3.0156 k =-0.4216 0.4838-0.0000 ( 7764 PWs) bands (ev): -20.6718 -20.6718 -20.6323 -20.6323 -19.8493 -19.8493 -19.7976 -19.7976 -8.2866 -8.2866 -8.2624 -8.2624 -8.1635 -8.1635 -8.0611 -8.0611 -6.9024 -6.9024 -6.8888 -6.8888 -6.6215 -6.6215 -6.6102 -6.6102 -6.5281 -6.5281 -6.5048 -6.5048 -5.2056 -5.2056 -5.1395 -5.1395 -4.8553 -4.8553 -4.7863 -4.7863 -4.4591 -4.4591 -4.4185 -4.4185 -4.2547 -4.2547 -3.9938 -3.9938 -3.7248 -3.7248 -3.6384 -3.6384 -2.1778 -2.1778 -2.0165 -2.0165 2.9086 2.9086 3.0823 3.0823 k =-0.4173 0.5050-0.0000 ( 7760 PWs) bands (ev): -20.6533 -20.6533 -20.6139 -20.6139 -19.8464 -19.8464 -19.7952 -19.7952 -8.2618 -8.2618 -8.2550 -8.2550 -8.1452 -8.1452 -8.0298 -8.0298 -6.8926 -6.8926 -6.8806 -6.8806 -6.6510 -6.6510 -6.6406 -6.6406 -6.5726 -6.5726 -6.5489 -6.5489 -5.2264 -5.2264 -5.1652 -5.1652 -4.8058 -4.8058 -4.7368 -4.7368 -4.4740 -4.4740 -4.4169 -4.4169 -4.2637 -4.2637 -4.0134 -4.0134 -3.7333 -3.7333 -3.6478 -3.6478 -2.2268 -2.2268 -2.0482 -2.0482 2.9466 2.9466 3.1513 3.1513 k =-0.4129 0.5262-0.0000 ( 7760 PWs) bands (ev): -20.6341 -20.6341 -20.5949 -20.5949 -19.8435 -19.8435 -19.7928 -19.7928 -8.2477 -8.2477 -8.2383 -8.2383 -8.1227 -8.1227 -7.9966 -7.9966 -6.8851 -6.8851 -6.8754 -6.8754 -6.6782 -6.6782 -6.6691 -6.6691 -6.6181 -6.6181 -6.5945 -6.5945 -5.2461 -5.2461 -5.1890 -5.1890 -4.7560 -4.7560 -4.6870 -4.6870 -4.4892 -4.4892 -4.4186 -4.4186 -4.2741 -4.2741 -4.0370 -4.0370 -3.7421 -3.7421 -3.6576 -3.6576 -2.2737 -2.2737 -2.0772 -2.0772 2.9864 2.9864 3.2225 3.2225 k =-0.4086 0.5474-0.0000 ( 7764 PWs) bands (ev): -20.6142 -20.6142 -20.5752 -20.5752 -19.8404 -19.8404 -19.7903 -19.7903 -8.2394 -8.2394 -8.2174 -8.2174 -8.0956 -8.0956 -7.9615 -7.9615 -6.8822 -6.8822 -6.8757 -6.8757 -6.7021 -6.7021 -6.6943 -6.6943 -6.6630 -6.6630 -6.6405 -6.6405 -5.2646 -5.2646 -5.2109 -5.2109 -4.7063 -4.7063 -4.6371 -4.6371 -4.5046 -4.5046 -4.4241 -4.4241 -4.2856 -4.2856 -4.0649 -4.0649 -3.7514 -3.7514 -3.6679 -3.6679 -2.3178 -2.3178 -2.1031 -2.1031 3.0281 3.0281 3.2958 3.2958 k =-0.4042 0.5685-0.0000 ( 7768 PWs) bands (ev): -20.5938 -20.5938 -20.5549 -20.5549 -19.8374 -19.8374 -19.7877 -19.7877 -8.2305 -8.2305 -8.1982 -8.1982 -8.0644 -8.0644 -7.9250 -7.9250 -6.8885 -6.8885 -6.8834 -6.8834 -6.7267 -6.7267 -6.7153 -6.7153 -6.7000 -6.7000 -6.6837 -6.6837 -5.2818 -5.2818 -5.2310 -5.2310 -4.6570 -4.6570 -4.5873 -4.5873 -4.5201 -4.5201 -4.4340 -4.4340 -4.2985 -4.2985 -4.0974 -4.0974 -3.7611 -3.7611 -3.6785 -3.6785 -2.3585 -2.3585 -2.1255 -2.1255 3.0716 3.0716 3.3710 3.3956 k =-0.3999 0.5897-0.0000 ( 7756 PWs) bands (ev): -20.5728 -20.5728 -20.5341 -20.5341 -19.8342 -19.8342 -19.7851 -19.7851 -8.2208 -8.2208 -8.1802 -8.1802 -8.0296 -8.0296 -7.8871 -7.8871 -6.9097 -6.9097 -6.8997 -6.8997 -6.7623 -6.7623 -6.7417 -6.7417 -6.7169 -6.7169 -6.7091 -6.7091 -5.2977 -5.2977 -5.2492 -5.2492 -4.6098 -4.6098 -4.5380 -4.5380 -4.5338 -4.5338 -4.4486 -4.4486 -4.3125 -4.3125 -4.1344 -4.1344 -3.7711 -3.7711 -3.6896 -3.6896 -2.3953 -2.3953 -2.1443 -2.1443 3.1168 3.1168 3.4384 3.4384 k =-0.3955 0.6109-0.0000 ( 7762 PWs) bands (ev): -20.5512 -20.5512 -20.5127 -20.5127 -19.8310 -19.8310 -19.7824 -19.7824 -8.2101 -8.2101 -8.1626 -8.1626 -7.9921 -7.9921 -7.8481 -7.8481 -6.9443 -6.9443 -6.9277 -6.9277 -6.8003 -6.8003 -6.7795 -6.7795 -6.7197 -6.7197 -6.7107 -6.7107 -5.3122 -5.3122 -5.2656 -5.2656 -4.5773 -4.5773 -4.5339 -4.5339 -4.4906 -4.4906 -4.4666 -4.4666 -4.3275 -4.3275 -4.1760 -4.1760 -3.7815 -3.7815 -3.7010 -3.7010 -2.4278 -2.4278 -2.1594 -2.1594 3.1638 3.1638 3.4828 3.4828 k =-0.3912 0.6320-0.0000 ( 7766 PWs) bands (ev): -20.5293 -20.5293 -20.4909 -20.4909 -19.8277 -19.8277 -19.7797 -19.7797 -8.1984 -8.1984 -8.1451 -8.1451 -7.9525 -7.9525 -7.8084 -7.8084 -6.9892 -6.9892 -6.9664 -6.9664 -6.8357 -6.8357 -6.8163 -6.8163 -6.7141 -6.7141 -6.7036 -6.7036 -5.3254 -5.3254 -5.2804 -5.2804 -4.5827 -4.5827 -4.4969 -4.4969 -4.4960 -4.4960 -4.4388 -4.4388 -4.3427 -4.3427 -4.2221 -4.2221 -3.7922 -3.7922 -3.7128 -3.7128 -2.4554 -2.4554 -2.1706 -2.1706 3.2125 3.2125 3.5288 3.5288 k =-0.3868 0.6532-0.0000 ( 7766 PWs) bands (ev): -20.5069 -20.5069 -20.4688 -20.4688 -19.8244 -19.8244 -19.7770 -19.7770 -8.1856 -8.1856 -8.1272 -8.1272 -7.9114 -7.9114 -7.7682 -7.7682 -7.0409 -7.0409 -7.0127 -7.0127 -6.8682 -6.8682 -6.8501 -6.8501 -6.7033 -6.7033 -6.6920 -6.6920 -5.3375 -5.3375 -5.2936 -5.2936 -4.5993 -4.5993 -4.5266 -4.5266 -4.4497 -4.4497 -4.3983 -4.3983 -4.3528 -4.3528 -4.2725 -4.2725 -3.8033 -3.8033 -3.7249 -3.7249 -2.4781 -2.4781 -2.1781 -2.1781 3.2628 3.2628 3.5763 3.5763 k =-0.3825 0.6744-0.0000 ( 7758 PWs) bands (ev): -20.4842 -20.4842 -20.4463 -20.4463 -19.8211 -19.8211 -19.7743 -19.7743 -8.1716 -8.1716 -8.1085 -8.1085 -7.8694 -7.8694 -7.7283 -7.7283 -7.0966 -7.0966 -7.0634 -7.0634 -6.8985 -6.8985 -6.8814 -6.8814 -6.6893 -6.6893 -6.6778 -6.6778 -5.3485 -5.3485 -5.3053 -5.3053 -4.6184 -4.6184 -4.5632 -4.5632 -4.4016 -4.4016 -4.3931 -4.3931 -4.3288 -4.3288 -4.3266 -4.3266 -3.8147 -3.8147 -3.7373 -3.7373 -2.4956 -2.4956 -2.1819 -2.1819 3.3148 3.3148 3.6253 3.6253 k =-0.3781 0.6955-0.0000 ( 7758 PWs) bands (ev): -20.4613 -20.4613 -20.4236 -20.4236 -19.8178 -19.8178 -19.7715 -19.7715 -8.1563 -8.1563 -8.0891 -8.0891 -7.8272 -7.8272 -7.6896 -7.6896 -7.1539 -7.1539 -7.1155 -7.1155 -6.9270 -6.9270 -6.9105 -6.9105 -6.6734 -6.6734 -6.6619 -6.6619 -5.3585 -5.3585 -5.3157 -5.3157 -4.6392 -4.6392 -4.6051 -4.6051 -4.4113 -4.4113 -4.3864 -4.3864 -4.3506 -4.3506 -4.2841 -4.2841 -3.8263 -3.8263 -3.7500 -3.7500 -2.5080 -2.5080 -2.1824 -2.1824 3.3682 3.3682 3.6758 3.6758 k =-0.3738 0.7167-0.0000 ( 7760 PWs) bands (ev): -20.4381 -20.4381 -20.4006 -20.4006 -19.8145 -19.8145 -19.7688 -19.7688 -8.1397 -8.1397 -8.0686 -8.0686 -7.7858 -7.7858 -7.6538 -7.6538 -7.2108 -7.2108 -7.1661 -7.1661 -6.9542 -6.9542 -6.9380 -6.9380 -6.6560 -6.6560 -6.6448 -6.6448 -5.3677 -5.3677 -5.3251 -5.3251 -4.6646 -4.6646 -4.6492 -4.6492 -4.4501 -4.4501 -4.4295 -4.4295 -4.3033 -4.3033 -4.2371 -4.2371 -3.8382 -3.8382 -3.7630 -3.7630 -2.5155 -2.5155 -2.1798 -2.1798 3.4232 3.4232 3.7276 3.7276 k =-0.3694 0.7379-0.0000 ( 7760 PWs) bands (ev): -20.4148 -20.4148 -20.3776 -20.3776 -19.8112 -19.8112 -19.7660 -19.7660 -8.1217 -8.1217 -8.0471 -8.0471 -7.7470 -7.7470 -7.6237 -7.6237 -7.2648 -7.2648 -7.2117 -7.2117 -6.9801 -6.9801 -6.9640 -6.9640 -6.6378 -6.6378 -6.6269 -6.6269 -5.3761 -5.3761 -5.3333 -5.3333 -4.7100 -4.7100 -4.6796 -4.6796 -4.5135 -4.5135 -4.4537 -4.4537 -4.2556 -4.2556 -4.1901 -4.1901 -3.8503 -3.8503 -3.7762 -3.7762 -2.5182 -2.5182 -2.1743 -2.1743 3.4796 3.4796 3.7807 3.7807 k =-0.3651 0.7590-0.0000 ( 7762 PWs) bands (ev): -20.3915 -20.3915 -20.3545 -20.3545 -19.8079 -19.8079 -19.7633 -19.7633 -8.1024 -8.1024 -8.0244 -8.0244 -7.7136 -7.7136 -7.6043 -7.6043 -7.3124 -7.3124 -7.2472 -7.2472 -7.0049 -7.0049 -6.9886 -6.9886 -6.6189 -6.6189 -6.6084 -6.6084 -5.3840 -5.3840 -5.3407 -5.3407 -4.7670 -4.7670 -4.7051 -4.7051 -4.5798 -4.5798 -4.4786 -4.4786 -4.2083 -4.2083 -4.1436 -4.1436 -3.8626 -3.8626 -3.7895 -3.7895 -2.5164 -2.5164 -2.1662 -2.1662 3.5374 3.5374 3.8352 3.8352 k =-0.3607 0.7802-0.0000 ( 7754 PWs) bands (ev): -20.3681 -20.3681 -20.3313 -20.3313 -19.8046 -19.8046 -19.7606 -19.7606 -8.0816 -8.0816 -8.0006 -8.0006 -7.6905 -7.6905 -7.6014 -7.6014 -7.3480 -7.3480 -7.2662 -7.2662 -7.0286 -7.0286 -7.0115 -7.0115 -6.5995 -6.5995 -6.5895 -6.5895 -5.3915 -5.3915 -5.3474 -5.3474 -4.8289 -4.8289 -4.7332 -4.7332 -4.6463 -4.6463 -4.5046 -4.5046 -4.1617 -4.1617 -4.0977 -4.0977 -3.8750 -3.8750 -3.8030 -3.8030 -2.5107 -2.5107 -2.1559 -2.1559 3.5964 3.5964 3.8908 3.8908 k =-0.3563 0.8014-0.0000 ( 7736 PWs) bands (ev): -20.3448 -20.3448 -20.3083 -20.3083 -19.8014 -19.8014 -19.7580 -19.7580 -8.0595 -8.0595 -7.9758 -7.9758 -7.6843 -7.6843 -7.6187 -7.6187 -7.3649 -7.3649 -7.2654 -7.2654 -7.0509 -7.0509 -7.0324 -7.0324 -6.5798 -6.5798 -6.5703 -6.5703 -5.3987 -5.3987 -5.3534 -5.3534 -4.8948 -4.8948 -4.7704 -4.7704 -4.7068 -4.7068 -4.5319 -4.5319 -4.1158 -4.1158 -4.0527 -4.0527 -3.8874 -3.8874 -3.8166 -3.8166 -2.5014 -2.5014 -2.1437 -2.1437 3.6567 3.6567 3.9475 3.9475 k =-0.3520 0.8225-0.0000 ( 7736 PWs) bands (ev): -20.3217 -20.3217 -20.2854 -20.2854 -19.7982 -19.7982 -19.7554 -19.7554 -8.0359 -8.0359 -7.9503 -7.9503 -7.6986 -7.6986 -7.6527 -7.6527 -7.3599 -7.3599 -7.2479 -7.2479 -7.0718 -7.0718 -7.0504 -7.0504 -6.5599 -6.5599 -6.5510 -6.5510 -5.4059 -5.4059 -5.3589 -5.3589 -4.9641 -4.9641 -4.8264 -4.8264 -4.7510 -4.7510 -4.5602 -4.5602 -4.0709 -4.0709 -4.0089 -4.0089 -3.8996 -3.8996 -3.8303 -3.8303 -2.4890 -2.4890 -2.1298 -2.1298 3.7181 3.7181 4.0052 4.0052 k =-0.3476 0.8437-0.0000 ( 7736 PWs) bands (ev): -20.2988 -20.2988 -20.2627 -20.2627 -19.7951 -19.7951 -19.7528 -19.7528 -8.0112 -8.0112 -7.9247 -7.9247 -7.7296 -7.7296 -7.6969 -7.6969 -7.3366 -7.3366 -7.2218 -7.2218 -7.0908 -7.0908 -7.0634 -7.0634 -6.5400 -6.5400 -6.5316 -6.5316 -5.4131 -5.4131 -5.3641 -5.3641 -5.0363 -5.0363 -4.8967 -4.8967 -4.7831 -4.7831 -4.5897 -4.5897 -4.0270 -4.0270 -3.9670 -3.9670 -3.9109 -3.9109 -3.8439 -3.8439 -2.4739 -2.4739 -2.1147 -2.1147 3.7805 3.7805 4.0638 4.0638 k =-0.3433 0.8649-0.0000 ( 7736 PWs) bands (ev): -20.2762 -20.2762 -20.2404 -20.2404 -19.7920 -19.7920 -19.7503 -19.7503 -7.9856 -7.9856 -7.9015 -7.9015 -7.7683 -7.7683 -7.7456 -7.7456 -7.3025 -7.3025 -7.1968 -7.1968 -7.1070 -7.1070 -7.0663 -7.0663 -6.5202 -6.5202 -6.5122 -6.5122 -5.4206 -5.4206 -5.3691 -5.3691 -5.1108 -5.1108 -4.9726 -4.9726 -4.8114 -4.8114 -4.6201 -4.6201 -3.9843 -3.9843 -3.9370 -3.9370 -3.9115 -3.9115 -3.8574 -3.8574 -2.4566 -2.4566 -2.0985 -2.0985 3.8439 3.8439 4.1232 4.1232 k =-0.3389 0.8860-0.0000 ( 7744 PWs) bands (ev): -20.2539 -20.2539 -20.2184 -20.2184 -19.7890 -19.7890 -19.7478 -19.7478 -7.9603 -7.9603 -7.8909 -7.8909 -7.8020 -7.8020 -7.7918 -7.7918 -7.2652 -7.2652 -7.1836 -7.1836 -7.1177 -7.1177 -7.0516 -7.0516 -6.5004 -6.5004 -6.4930 -6.4930 -5.4285 -5.4285 -5.3740 -5.3740 -5.1872 -5.1872 -5.0512 -5.0512 -4.8385 -4.8385 -4.6515 -4.6515 -3.9433 -3.9433 -3.9420 -3.9420 -3.8781 -3.8781 -3.8703 -3.8703 -2.4374 -2.4374 -2.0815 -2.0815 3.9081 3.9081 4.1834 4.1834 k =-0.3346 0.9072-0.0000 ( 7760 PWs) bands (ev): -20.2321 -20.2321 -20.1968 -20.1968 -19.7861 -19.7861 -19.7455 -19.7455 -7.9404 -7.9404 -7.9126 -7.9126 -7.8413 -7.8413 -7.7953 -7.7953 -7.2342 -7.2342 -7.1846 -7.1846 -7.1166 -7.1166 -7.0184 -7.0184 -6.4809 -6.4809 -6.4740 -6.4740 -5.4372 -5.4372 -5.3790 -5.3790 -5.2651 -5.2651 -5.1312 -5.1312 -4.8652 -4.8652 -4.6836 -4.6836 -3.9537 -3.9537 -3.9068 -3.9068 -3.8797 -3.8797 -3.8394 -3.8394 -2.4169 -2.4169 -2.0640 -2.0640 3.9730 3.9730 4.2441 4.2441 k =-0.3302 0.9284-0.0000 ( 7760 PWs) bands (ev): -20.2108 -20.2108 -20.1758 -20.1758 -19.7833 -19.7833 -19.7432 -19.7432 -7.9589 -7.9589 -7.9426 -7.9426 -7.8587 -7.8587 -7.7712 -7.7712 -7.2205 -7.2205 -7.1938 -7.1938 -7.0940 -7.0940 -6.9740 -6.9740 -6.4616 -6.4616 -6.4552 -6.4552 -5.4468 -5.4468 -5.3843 -5.3843 -5.3440 -5.3440 -5.2121 -5.2121 -4.8916 -4.8916 -4.7164 -4.7164 -3.9659 -3.9659 -3.9023 -3.9023 -3.8584 -3.8584 -3.8013 -3.8013 -2.3953 -2.3953 -2.0461 -2.0461 4.0384 4.0384 4.3052 4.3052 k =-0.3259 0.9495-0.0000 ( 7748 PWs) bands (ev): -20.1901 -20.1901 -20.1553 -20.1553 -19.7805 -19.7805 -19.7410 -19.7410 -8.0081 -8.0081 -7.9811 -7.9811 -7.8404 -7.8404 -7.7393 -7.7393 -7.2227 -7.2227 -7.2061 -7.2061 -7.0525 -7.0525 -6.9238 -6.9238 -6.4428 -6.4428 -6.4369 -6.4369 -5.4578 -5.4578 -5.4236 -5.4236 -5.3898 -5.3898 -5.2934 -5.2934 -4.9176 -4.9176 -4.7498 -4.7498 -3.9780 -3.9780 -3.9138 -3.9138 -3.8222 -3.8222 -3.7644 -3.7644 -2.3731 -2.3731 -2.0282 -2.0282 4.1043 4.1043 4.3666 4.3666 k =-0.3215 0.9707-0.0000 ( 7744 PWs) bands (ev): -20.1701 -20.1701 -20.1355 -20.1355 -19.7779 -19.7779 -19.7388 -19.7388 -8.0587 -8.0587 -8.0284 -8.0284 -7.8100 -7.8100 -7.7038 -7.7038 -7.2318 -7.2318 -7.2195 -7.2195 -7.0016 -7.0016 -6.8703 -6.8703 -6.4244 -6.4244 -6.4190 -6.4190 -5.5040 -5.5040 -5.4699 -5.4699 -5.3961 -5.3961 -5.3746 -5.3746 -4.9431 -4.9431 -4.7834 -4.7834 -3.9901 -3.9901 -3.9263 -3.9263 -3.7863 -3.7863 -3.7289 -3.7289 -2.3504 -2.3504 -2.0103 -2.0103 4.1703 4.1703 4.4281 4.4281 k =-0.3172 0.9919-0.0000 ( 7738 PWs) bands (ev): -20.1508 -20.1508 -20.1165 -20.1165 -19.7754 -19.7754 -19.7368 -19.7368 -8.1085 -8.1085 -8.0767 -8.0767 -7.7753 -7.7753 -7.6661 -7.6661 -7.2431 -7.2431 -7.2330 -7.2330 -6.9464 -6.9464 -6.8151 -6.8151 -6.4065 -6.4065 -6.4016 -6.4016 -5.5839 -5.5839 -5.4864 -5.4864 -5.4538 -5.4538 -5.4031 -5.4031 -4.9678 -4.9678 -4.8171 -4.8171 -4.0019 -4.0019 -3.9387 -3.9387 -3.7517 -3.7517 -3.6950 -3.6950 -2.3277 -2.3277 -1.9926 -1.9926 4.2365 4.2365 4.4894 4.4894 k =-0.3128 1.0130-0.0000 ( 7742 PWs) bands (ev): -20.1323 -20.1323 -20.0982 -20.0982 -19.7730 -19.7730 -19.7349 -19.7349 -8.1567 -8.1567 -8.1239 -8.1239 -7.7382 -7.7382 -7.6268 -7.6268 -7.2549 -7.2549 -7.2461 -7.2461 -6.8889 -6.8889 -6.7587 -6.7587 -6.3893 -6.3893 -6.3848 -6.3848 -5.6637 -5.6637 -5.5412 -5.5412 -5.4962 -5.4962 -5.4113 -5.4113 -4.9915 -4.9915 -4.8507 -4.8507 -4.0134 -4.0134 -3.9508 -3.9508 -3.7187 -3.7187 -3.6628 -3.6628 -2.3052 -2.3052 -1.9755 -1.9755 4.3025 4.3025 4.5505 4.5505 k =-0.3085 1.0342-0.0000 ( 7746 PWs) bands (ev): -20.1147 -20.1147 -20.0809 -20.0809 -19.7708 -19.7708 -19.7330 -19.7330 -8.2028 -8.2028 -8.1692 -8.1692 -7.6993 -7.6993 -7.5859 -7.5859 -7.2664 -7.2664 -7.2586 -7.2586 -6.8300 -6.8300 -6.7015 -6.7015 -6.3728 -6.3728 -6.3688 -6.3688 -5.7429 -5.7429 -5.6204 -5.6204 -5.5160 -5.5160 -5.4209 -5.4209 -5.0139 -5.0139 -4.8837 -4.8837 -4.0244 -4.0244 -3.9626 -3.9626 -3.6875 -3.6875 -3.6323 -3.6323 -2.2830 -2.2830 -1.9588 -1.9588 4.3681 4.3681 4.6110 4.6110 k =-0.3041 1.0554-0.0000 ( 7740 PWs) bands (ev): -20.0980 -20.0980 -20.0644 -20.0644 -19.7686 -19.7686 -19.7313 -19.7313 -8.2466 -8.2466 -8.2122 -8.2122 -7.6589 -7.6589 -7.5440 -7.5440 -7.2772 -7.2772 -7.2703 -7.2703 -6.7703 -6.7703 -6.6440 -6.6440 -6.3571 -6.3571 -6.3535 -6.3535 -5.8211 -5.8211 -5.6999 -5.6999 -5.5373 -5.5373 -5.4321 -5.4321 -5.0348 -5.0348 -4.9159 -4.9159 -4.0351 -4.0351 -3.9738 -3.9738 -3.6580 -3.6580 -3.6036 -3.6036 -2.2616 -2.2616 -1.9429 -1.9429 4.4331 4.4331 4.6708 4.6708 k =-0.2998 1.0765-0.0000 ( 7738 PWs) bands (ev): -20.0824 -20.0824 -20.0490 -20.0490 -19.7667 -19.7667 -19.7297 -19.7297 -8.2876 -8.2876 -8.2526 -8.2526 -7.6173 -7.6173 -7.5013 -7.5013 -7.2869 -7.2869 -7.2810 -7.2810 -6.7101 -6.7101 -6.5864 -6.5864 -6.3422 -6.3422 -6.3390 -6.3390 -5.8982 -5.8982 -5.7784 -5.7784 -5.5612 -5.5612 -5.4453 -5.4453 -5.0539 -5.0539 -4.9468 -4.9468 -4.0452 -4.0452 -3.9845 -3.9845 -3.6305 -3.6305 -3.5769 -3.5769 -2.2411 -2.2411 -1.9279 -1.9279 4.4971 4.4971 4.7294 4.7294 k =-0.2954 1.0977-0.0000 ( 7726 PWs) bands (ev): -20.0678 -20.0678 -20.0346 -20.0346 -19.7648 -19.7648 -19.7282 -19.7282 -8.3258 -8.3258 -8.2903 -8.2903 -7.5748 -7.5748 -7.4585 -7.4585 -7.2950 -7.2950 -7.2906 -7.2906 -6.6496 -6.6496 -6.5291 -6.5291 -6.3283 -6.3283 -6.3256 -6.3256 -5.9735 -5.9735 -5.8555 -5.8555 -5.5881 -5.5881 -5.4608 -5.4608 -5.0711 -5.0711 -4.9760 -4.9760 -4.0547 -4.0547 -3.9945 -3.9945 -3.6050 -3.6050 -3.5521 -3.5521 -2.2216 -2.2216 -1.9137 -1.9137 4.5600 4.5600 4.7868 4.7868 k =-0.2910 1.1189-0.0000 ( 7726 PWs) bands (ev): -20.0544 -20.0544 -20.0214 -20.0214 -19.7631 -19.7631 -19.7269 -19.7269 -8.3610 -8.3610 -8.3249 -8.3249 -7.5318 -7.5318 -7.4169 -7.4169 -7.3008 -7.3008 -7.2986 -7.2986 -6.5891 -6.5891 -6.4724 -6.4724 -6.3155 -6.3155 -6.3131 -6.3131 -6.0468 -6.0468 -5.9308 -5.9308 -5.6180 -5.6180 -5.4788 -5.4788 -5.0863 -5.0863 -5.0031 -5.0031 -4.0635 -4.0635 -4.0039 -4.0039 -3.5815 -3.5815 -3.5293 -3.5293 -2.2033 -2.2033 -1.9006 -1.9006 4.6214 4.6214 4.8424 4.8424 k =-0.2867 1.1401-0.0000 ( 7732 PWs) bands (ev): -20.0421 -20.0421 -20.0093 -20.0093 -19.7616 -19.7616 -19.7257 -19.7257 -8.3930 -8.3930 -8.3565 -8.3565 -7.4889 -7.4889 -7.3804 -7.3804 -7.3066 -7.3066 -7.2988 -7.2988 -6.5288 -6.5288 -6.4168 -6.4168 -6.3040 -6.3040 -6.3017 -6.3017 -6.1171 -6.1171 -6.0040 -6.0040 -5.6509 -5.6509 -5.4996 -5.4996 -5.0995 -5.0995 -5.0277 -5.0277 -4.0717 -4.0717 -4.0125 -4.0125 -3.5602 -3.5602 -3.5086 -3.5086 -2.1865 -2.1865 -1.8886 -1.8886 4.6808 4.6808 4.8961 4.8961 k =-0.2823 1.1612-0.0000 ( 7736 PWs) bands (ev): -20.0311 -20.0311 -19.9985 -19.9985 -19.7602 -19.7602 -19.7246 -19.7246 -8.4217 -8.4217 -8.3848 -8.3848 -7.4472 -7.4472 -7.3575 -7.3575 -7.3113 -7.3113 -7.2834 -7.2834 -6.4690 -6.4690 -6.3631 -6.3631 -6.2942 -6.2942 -6.2918 -6.2918 -6.1830 -6.1830 -6.0742 -6.0742 -5.6867 -5.6867 -5.5230 -5.5230 -5.1107 -5.1107 -5.0496 -5.0496 -4.0791 -4.0791 -4.0203 -4.0203 -3.5411 -3.5411 -3.4901 -3.4901 -2.1711 -2.1711 -1.8778 -1.8778 4.7381 4.7381 4.9474 4.9475 k =-0.2780 1.1824-0.0000 ( 7740 PWs) bands (ev): -20.0214 -20.0214 -19.9889 -19.9889 -19.7590 -19.7590 -19.7236 -19.7236 -8.4470 -8.4470 -8.4098 -8.4098 -7.4088 -7.4088 -7.3508 -7.3508 -7.3122 -7.3122 -7.2515 -7.2515 -6.4099 -6.4099 -6.3140 -6.3140 -6.2908 -6.2908 -6.2834 -6.2834 -6.2369 -6.2369 -6.1405 -6.1405 -5.7253 -5.7253 -5.5489 -5.5489 -5.1200 -5.1200 -5.0686 -5.0686 -4.0857 -4.0857 -4.0272 -4.0272 -3.5242 -3.5242 -3.4739 -3.4739 -2.1575 -2.1575 -1.8682 -1.8682 4.7927 4.7927 4.9961 4.9961 k =-0.2736 1.2036-0.0000 ( 7744 PWs) bands (ev): -20.0130 -20.0130 -19.9806 -19.9806 -19.7580 -19.7580 -19.7228 -19.7228 -8.4688 -8.4688 -8.4313 -8.4313 -7.3789 -7.3789 -7.3512 -7.3512 -7.3051 -7.3051 -7.2132 -7.2132 -6.3522 -6.3522 -6.3229 -6.3229 -6.2802 -6.2802 -6.2770 -6.2770 -6.2404 -6.2404 -6.2000 -6.2000 -5.7664 -5.7664 -5.5766 -5.5766 -5.1276 -5.1276 -5.0847 -5.0847 -4.0914 -4.0914 -4.0333 -4.0333 -3.5097 -3.5097 -3.4598 -3.4598 -2.1456 -2.1456 -1.8599 -1.8599 4.8444 4.8444 5.0417 5.0417 k =-0.2693 1.2247-0.0000 ( 7736 PWs) bands (ev): -20.0059 -20.0059 -19.9737 -19.9737 -19.7572 -19.7572 -19.7221 -19.7221 -8.4871 -8.4871 -8.4493 -8.4493 -7.3633 -7.3633 -7.3533 -7.3533 -7.2853 -7.2853 -7.1749 -7.1749 -6.3718 -6.3718 -6.2993 -6.2993 -6.2841 -6.2841 -6.2681 -6.2681 -6.2420 -6.2420 -6.2001 -6.2001 -5.8097 -5.8097 -5.6052 -5.6052 -5.1334 -5.1334 -5.0979 -5.0979 -4.0962 -4.0962 -4.0383 -4.0383 -3.4975 -3.4975 -3.4481 -3.4481 -2.1355 -2.1355 -1.8529 -1.8529 4.8926 4.8926 5.0839 5.0839 k =-0.2649 1.2459-0.0000 ( 7734 PWs) bands (ev): -20.0003 -20.0003 -19.9681 -19.9681 -19.7565 -19.7565 -19.7215 -19.7215 -8.5017 -8.5017 -8.4638 -8.4638 -7.3584 -7.3584 -7.3556 -7.3556 -7.2577 -7.2577 -7.1397 -7.1397 -6.4164 -6.4164 -6.3242 -6.3242 -6.2656 -6.2656 -6.2619 -6.2619 -6.2241 -6.2241 -6.1599 -6.1599 -5.8548 -5.8548 -5.6332 -5.6332 -5.1378 -5.1378 -5.1083 -5.1083 -4.1001 -4.1001 -4.0424 -4.0424 -3.4877 -3.4877 -3.4386 -3.4386 -2.1274 -2.1274 -1.8473 -1.8473 4.9371 4.9371 5.1224 5.1224 k =-0.2606 1.2671-0.0000 ( 7730 PWs) bands (ev): -19.9961 -19.9961 -19.9639 -19.9639 -19.7559 -19.7559 -19.7211 -19.7211 -8.5126 -8.5126 -8.4746 -8.4746 -7.3582 -7.3582 -7.3569 -7.3569 -7.2312 -7.2312 -7.1103 -7.1103 -6.4523 -6.4523 -6.3638 -6.3638 -6.2584 -6.2584 -6.2575 -6.2575 -6.1751 -6.1751 -6.1246 -6.1246 -5.9009 -5.9009 -5.6584 -5.6584 -5.1409 -5.1409 -5.1160 -5.1160 -4.1030 -4.1030 -4.0455 -4.0455 -3.4804 -3.4804 -3.4316 -3.4316 -2.1213 -2.1213 -1.8431 -1.8431 4.9775 4.9775 5.1568 5.1568 k =-0.2606 1.2671-0.0000 ( 7730 PWs) bands (ev): -19.9961 -19.9961 -19.9639 -19.9639 -19.7559 -19.7559 -19.7211 -19.7211 -8.5126 -8.5126 -8.4746 -8.4746 -7.3582 -7.3582 -7.3569 -7.3569 -7.2312 -7.2312 -7.1103 -7.1103 -6.4523 -6.4523 -6.3638 -6.3638 -6.2584 -6.2584 -6.2575 -6.2575 -6.1751 -6.1751 -6.1246 -6.1246 -5.9009 -5.9009 -5.6584 -5.6584 -5.1409 -5.1409 -5.1160 -5.1160 -4.1030 -4.1030 -4.0455 -4.0455 -3.4804 -3.4804 -3.4316 -3.4316 -2.1213 -2.1213 -1.8431 -1.8431 4.9775 4.9775 5.1568 5.1568 k =-0.2606 1.2671 0.0213 ( 7734 PWs) bands (ev): -19.9960 -19.9960 -19.9641 -19.9641 -19.7558 -19.7558 -19.7212 -19.7212 -8.5125 -8.5125 -8.4747 -8.4747 -7.3581 -7.3581 -7.3570 -7.3570 -7.2309 -7.2309 -7.1108 -7.1108 -6.4521 -6.4521 -6.3642 -6.3642 -6.2584 -6.2584 -6.2575 -6.2575 -6.1747 -6.1747 -6.1247 -6.1247 -5.9002 -5.9002 -5.6592 -5.6592 -5.1408 -5.1408 -5.1161 -5.1161 -4.1028 -4.1028 -4.0457 -4.0457 -3.4802 -3.4802 -3.4317 -3.4317 -2.1204 -2.1204 -1.8440 -1.8440 4.9780 4.9780 5.1562 5.1562 k =-0.2606 1.2671 0.0425 ( 7736 PWs) bands (ev): -19.9957 -19.9957 -19.9644 -19.9644 -19.7554 -19.7554 -19.7215 -19.7215 -8.5122 -8.5122 -8.4751 -8.4751 -7.3581 -7.3581 -7.3569 -7.3569 -7.2300 -7.2300 -7.1121 -7.1121 -6.4515 -6.4515 -6.3652 -6.3652 -6.2584 -6.2584 -6.2575 -6.2575 -6.1736 -6.1736 -6.1248 -6.1248 -5.8981 -5.8981 -5.6615 -5.6615 -5.1406 -5.1406 -5.1164 -5.1164 -4.1023 -4.1023 -4.0463 -4.0463 -3.4797 -3.4797 -3.4321 -3.4321 -2.1177 -2.1177 -1.8465 -1.8465 4.9795 4.9795 5.1543 5.1543 k =-0.2606 1.2671 0.0638 ( 7740 PWs) bands (ev): -19.9953 -19.9953 -19.9650 -19.9650 -19.7548 -19.7548 -19.7220 -19.7220 -8.5116 -8.5116 -8.4757 -8.4757 -7.3580 -7.3580 -7.3569 -7.3569 -7.2284 -7.2284 -7.1143 -7.1143 -6.4505 -6.4505 -6.3669 -6.3669 -6.2584 -6.2584 -6.2575 -6.2575 -6.1719 -6.1719 -6.1252 -6.1252 -5.8946 -5.8946 -5.6653 -5.6653 -5.1403 -5.1403 -5.1169 -5.1169 -4.1015 -4.1015 -4.0473 -4.0473 -3.4789 -3.4789 -3.4328 -3.4328 -2.1133 -2.1133 -1.8507 -1.8507 4.9820 4.9820 5.1512 5.1512 k =-0.2606 1.2671 0.0850 ( 7745 PWs) bands (ev): -19.9947 -19.9947 -19.9658 -19.9658 -19.7540 -19.7540 -19.7226 -19.7226 -8.5108 -8.5108 -8.4765 -8.4765 -7.3580 -7.3580 -7.3568 -7.3568 -7.2262 -7.2262 -7.1174 -7.1174 -6.4491 -6.4491 -6.3692 -6.3692 -6.2584 -6.2584 -6.2576 -6.2576 -6.1697 -6.1697 -6.1256 -6.1256 -5.8898 -5.8898 -5.6706 -5.6706 -5.1399 -5.1399 -5.1175 -5.1175 -4.1004 -4.1004 -4.0486 -4.0486 -3.4777 -3.4777 -3.4338 -3.4338 -2.1071 -2.1071 -1.8565 -1.8565 4.9855 4.9855 5.1470 5.1470 k =-0.2606 1.2671 0.1063 ( 7746 PWs) bands (ev): -19.9939 -19.9939 -19.9668 -19.9668 -19.7529 -19.7529 -19.7235 -19.7235 -8.5098 -8.5098 -8.4776 -8.4776 -7.3579 -7.3579 -7.3568 -7.3568 -7.2234 -7.2234 -7.1212 -7.1212 -6.4473 -6.4473 -6.3721 -6.3721 -6.2583 -6.2583 -6.2576 -6.2576 -6.1669 -6.1669 -6.1262 -6.1262 -5.8836 -5.8836 -5.6773 -5.6773 -5.1393 -5.1393 -5.1182 -5.1182 -4.0989 -4.0989 -4.0503 -4.0503 -3.4763 -3.4763 -3.4350 -3.4350 -2.0994 -2.0994 -1.8639 -1.8639 4.9899 4.9899 5.1416 5.1416 k =-0.2606 1.2671 0.1276 ( 7747 PWs) bands (ev): -19.9930 -19.9930 -19.9680 -19.9680 -19.7516 -19.7516 -19.7245 -19.7245 -8.5086 -8.5086 -8.4789 -8.4789 -7.3577 -7.3577 -7.3567 -7.3567 -7.2201 -7.2201 -7.1256 -7.1256 -6.4451 -6.4451 -6.3756 -6.3756 -6.2583 -6.2583 -6.2576 -6.2576 -6.1639 -6.1639 -6.1269 -6.1269 -5.8762 -5.8762 -5.6853 -5.6853 -5.1386 -5.1386 -5.1192 -5.1192 -4.0971 -4.0971 -4.0522 -4.0522 -3.4746 -3.4746 -3.4365 -3.4365 -2.0901 -2.0901 -1.8727 -1.8727 4.9953 4.9953 5.1352 5.1352 k =-0.2606 1.2671 0.1488 ( 7755 PWs) bands (ev): -19.9919 -19.9919 -19.9693 -19.9693 -19.7502 -19.7502 -19.7257 -19.7257 -8.5072 -8.5072 -8.4804 -8.4804 -7.3576 -7.3576 -7.3566 -7.3566 -7.2161 -7.2161 -7.1308 -7.1308 -6.4424 -6.4424 -6.3795 -6.3795 -6.2582 -6.2582 -6.2577 -6.2577 -6.1606 -6.1606 -6.1279 -6.1279 -5.8675 -5.8675 -5.6946 -5.6946 -5.1378 -5.1378 -5.1202 -5.1202 -4.0951 -4.0951 -4.0545 -4.0545 -3.4726 -3.4726 -3.4382 -3.4382 -2.0795 -2.0795 -1.8829 -1.8829 5.0014 5.0014 5.1280 5.1280 k =-0.2606 1.2671 0.1701 ( 7754 PWs) bands (ev): -19.9907 -19.9907 -19.9708 -19.9708 -19.7486 -19.7486 -19.7270 -19.7270 -8.5057 -8.5057 -8.4820 -8.4820 -7.3575 -7.3575 -7.3566 -7.3566 -7.2116 -7.2116 -7.1364 -7.1364 -6.4393 -6.4393 -6.3838 -6.3838 -6.2582 -6.2582 -6.2577 -6.2577 -6.1573 -6.1573 -6.1289 -6.1289 -5.8577 -5.8577 -5.7050 -5.7050 -5.1369 -5.1369 -5.1214 -5.1214 -4.0928 -4.0928 -4.0571 -4.0571 -3.4705 -3.4705 -3.4401 -3.4401 -2.0676 -2.0676 -1.8942 -1.8942 5.0084 5.0084 5.1199 5.1199 k =-0.2606 1.2671 0.1913 ( 7745 PWs) bands (ev): -19.9893 -19.9893 -19.9724 -19.9724 -19.7469 -19.7469 -19.7285 -19.7285 -8.5040 -8.5040 -8.4838 -8.4838 -7.3573 -7.3573 -7.3565 -7.3565 -7.2066 -7.2066 -7.1425 -7.1425 -6.4358 -6.4358 -6.3884 -6.3884 -6.2581 -6.2581 -6.2577 -6.2577 -6.1539 -6.1539 -6.1301 -6.1301 -5.8468 -5.8468 -5.7163 -5.7163 -5.1358 -5.1358 -5.1226 -5.1226 -4.0903 -4.0903 -4.0598 -4.0598 -3.4681 -3.4681 -3.4422 -3.4422 -2.0546 -2.0546 -1.9067 -1.9067 5.0161 5.0161 5.1112 5.1112 k =-0.2606 1.2671 0.2126 ( 7739 PWs) bands (ev): -19.9879 -19.9879 -19.9740 -19.9740 -19.7451 -19.7451 -19.7301 -19.7301 -8.5021 -8.5021 -8.4857 -8.4857 -7.3572 -7.3572 -7.3565 -7.3565 -7.2012 -7.2012 -7.1489 -7.1489 -6.4320 -6.4320 -6.3932 -6.3932 -6.2581 -6.2581 -6.2578 -6.2578 -6.1506 -6.1506 -6.1315 -6.1315 -5.8351 -5.8351 -5.7284 -5.7284 -5.1347 -5.1347 -5.1239 -5.1239 -4.0876 -4.0876 -4.0627 -4.0627 -3.4656 -3.4656 -3.4445 -3.4445 -2.0408 -2.0408 -1.9201 -1.9201 5.0244 5.0244 5.1019 5.1019 k =-0.2606 1.2671 0.2338 ( 7731 PWs) bands (ev): -19.9863 -19.9863 -19.9758 -19.9758 -19.7432 -19.7432 -19.7318 -19.7318 -8.5002 -8.5002 -8.4876 -8.4876 -7.3570 -7.3570 -7.3565 -7.3565 -7.1953 -7.1953 -7.1555 -7.1555 -6.4277 -6.4277 -6.3982 -6.3982 -6.2580 -6.2580 -6.2578 -6.2578 -6.1475 -6.1475 -6.1331 -6.1331 -5.8225 -5.8225 -5.7413 -5.7413 -5.1335 -5.1335 -5.1253 -5.1253 -4.0847 -4.0847 -4.0658 -4.0658 -3.4630 -3.4630 -3.4470 -3.4470 -2.0261 -2.0261 -1.9344 -1.9344 5.0333 5.0333 5.0923 5.0923 k =-0.2606 1.2671 0.2551 ( 7727 PWs) bands (ev): -19.9846 -19.9846 -19.9776 -19.9776 -19.7413 -19.7413 -19.7336 -19.7336 -8.4981 -8.4981 -8.4897 -8.4897 -7.3569 -7.3569 -7.3565 -7.3565 -7.1891 -7.1891 -7.1623 -7.1623 -6.4232 -6.4232 -6.4033 -6.4033 -6.2580 -6.2580 -6.2578 -6.2578 -6.1445 -6.1445 -6.1349 -6.1349 -5.8094 -5.8094 -5.7546 -5.7546 -5.1322 -5.1322 -5.1266 -5.1266 -4.0817 -4.0817 -4.0689 -4.0689 -3.4603 -3.4603 -3.4495 -3.4495 -2.0110 -2.0110 -1.9492 -1.9492 5.0426 5.0426 5.0824 5.0824 k =-0.2606 1.2671 0.2764 ( 7724 PWs) bands (ev): -19.9829 -19.9829 -19.9794 -19.9794 -19.7393 -19.7393 -19.7355 -19.7355 -8.4961 -8.4961 -8.4918 -8.4918 -7.3567 -7.3567 -7.3566 -7.3566 -7.1827 -7.1827 -7.1692 -7.1692 -6.4185 -6.4185 -6.4084 -6.4084 -6.2579 -6.2579 -6.2578 -6.2578 -6.1418 -6.1418 -6.1370 -6.1370 -5.7959 -5.7959 -5.7683 -5.7683 -5.1309 -5.1309 -5.1281 -5.1281 -4.0786 -4.0786 -4.0721 -4.0721 -3.4576 -3.4576 -3.4521 -3.4521 -1.9956 -1.9956 -1.9645 -1.9645 5.0523 5.0523 5.0723 5.0723 k =-0.2606 1.2671 0.2976 ( 7734 PWs) bands (ev): -19.9812 -19.9812 -19.9811 -19.9811 -19.7374 -19.7374 -19.7373 -19.7373 -8.4940 -8.4940 -8.4939 -8.4939 -7.3567 -7.3567 -7.3567 -7.3567 -7.1760 -7.1760 -7.1760 -7.1760 -6.4135 -6.4135 -6.4135 -6.4135 -6.2579 -6.2579 -6.2579 -6.2579 -6.1393 -6.1393 -6.1393 -6.1393 -5.7821 -5.7821 -5.7821 -5.7821 -5.1295 -5.1295 -5.1295 -5.1295 -4.0754 -4.0754 -4.0753 -4.0753 -3.4549 -3.4549 -3.4548 -3.4548 -1.9801 -1.9801 -1.9800 -1.9800 5.0623 5.0623 5.0623 5.0623 k =-0.2606 1.2671 0.2976 ( 7734 PWs) bands (ev): -19.9812 -19.9812 -19.9811 -19.9811 -19.7374 -19.7374 -19.7373 -19.7373 -8.4940 -8.4940 -8.4939 -8.4939 -7.3567 -7.3567 -7.3567 -7.3567 -7.1760 -7.1760 -7.1760 -7.1760 -6.4135 -6.4135 -6.4135 -6.4135 -6.2579 -6.2579 -6.2579 -6.2579 -6.1393 -6.1393 -6.1393 -6.1393 -5.7821 -5.7821 -5.7821 -5.7821 -5.1295 -5.1295 -5.1295 -5.1295 -4.0754 -4.0754 -4.0753 -4.0753 -3.4549 -3.4549 -3.4548 -3.4548 -1.9801 -1.9801 -1.9800 -1.9800 5.0623 5.0623 5.0623 5.0623 k =-0.2649 1.2459 0.2976 ( 7726 PWs) bands (ev): -19.9854 -19.9854 -19.9853 -19.9853 -19.7379 -19.7379 -19.7378 -19.7378 -8.4831 -8.4831 -8.4831 -8.4831 -7.3554 -7.3554 -7.3554 -7.3554 -7.2047 -7.2047 -7.2046 -7.2046 -6.3766 -6.3766 -6.3766 -6.3766 -6.2626 -6.2626 -6.2626 -6.2626 -6.1809 -6.1809 -6.1808 -6.1808 -5.7468 -5.7468 -5.7468 -5.7468 -5.1245 -5.1245 -5.1245 -5.1245 -4.0724 -4.0724 -4.0724 -4.0724 -3.4620 -3.4620 -3.4620 -3.4620 -1.9851 -1.9851 -1.9851 -1.9851 5.0244 5.0244 5.0244 5.0244 k =-0.2693 1.2247 0.2976 ( 7726 PWs) bands (ev): -19.9910 -19.9910 -19.9909 -19.9909 -19.7385 -19.7385 -19.7384 -19.7384 -8.4686 -8.4686 -8.4686 -8.4686 -7.3548 -7.3548 -7.3548 -7.3548 -7.2379 -7.2379 -7.2379 -7.2379 -6.3356 -6.3356 -6.3356 -6.3356 -6.2708 -6.2708 -6.2708 -6.2708 -6.2205 -6.2205 -6.2204 -6.2204 -5.7096 -5.7096 -5.7096 -5.7096 -5.1176 -5.1176 -5.1176 -5.1176 -4.0685 -4.0685 -4.0684 -4.0684 -3.4716 -3.4716 -3.4716 -3.4716 -1.9919 -1.9919 -1.9918 -1.9918 4.9824 4.9824 4.9824 4.9824 k =-0.2736 1.2036 0.2976 ( 7720 PWs) bands (ev): -19.9979 -19.9979 -19.9979 -19.9979 -19.7393 -19.7393 -19.7392 -19.7392 -8.4504 -8.4504 -8.4504 -8.4504 -7.3571 -7.3571 -7.3571 -7.3571 -7.2714 -7.2714 -7.2714 -7.2714 -6.3194 -6.3194 -6.3193 -6.3193 -6.2819 -6.2819 -6.2819 -6.2819 -6.2299 -6.2299 -6.2298 -6.2298 -5.6725 -5.6725 -5.6725 -5.6725 -5.1087 -5.1087 -5.1087 -5.1087 -4.0636 -4.0636 -4.0635 -4.0635 -3.4835 -3.4835 -3.4835 -3.4835 -2.0003 -2.0003 -2.0002 -2.0002 4.9367 4.9367 4.9367 4.9367 k =-0.2780 1.1824 0.2976 ( 7724 PWs) bands (ev): -20.0062 -20.0062 -20.0062 -20.0062 -19.7403 -19.7403 -19.7402 -19.7402 -8.4288 -8.4288 -8.4288 -8.4288 -7.3690 -7.3690 -7.3689 -7.3689 -7.2970 -7.2970 -7.2970 -7.2970 -6.3594 -6.3594 -6.3593 -6.3593 -6.2850 -6.2850 -6.2850 -6.2850 -6.1890 -6.1890 -6.1890 -6.1890 -5.6368 -5.6368 -5.6368 -5.6368 -5.0977 -5.0977 -5.0977 -5.0977 -4.0578 -4.0578 -4.0577 -4.0577 -3.4977 -3.4977 -3.4977 -3.4977 -2.0103 -2.0103 -2.0102 -2.0102 4.8875 4.8875 4.8875 4.8875 k =-0.2823 1.1612 0.2976 ( 7744 PWs) bands (ev): -20.0159 -20.0159 -20.0158 -20.0158 -19.7414 -19.7414 -19.7413 -19.7413 -8.4037 -8.4037 -8.4036 -8.4036 -7.3969 -7.3969 -7.3969 -7.3969 -7.3070 -7.3070 -7.3070 -7.3070 -6.4125 -6.4125 -6.4125 -6.4125 -6.2929 -6.2929 -6.2928 -6.2928 -6.1286 -6.1286 -6.1286 -6.1286 -5.6033 -5.6033 -5.6032 -5.6032 -5.0844 -5.0844 -5.0844 -5.0844 -4.0511 -4.0511 -4.0511 -4.0511 -3.5142 -3.5142 -3.5142 -3.5142 -2.0218 -2.0218 -2.0218 -2.0218 4.8353 4.8353 4.8353 4.8353 k =-0.2867 1.1401 0.2976 ( 7748 PWs) bands (ev): -20.0268 -20.0268 -20.0267 -20.0267 -19.7426 -19.7426 -19.7426 -19.7426 -8.3752 -8.3752 -8.3751 -8.3751 -7.4351 -7.4351 -7.4351 -7.4351 -7.3064 -7.3064 -7.3064 -7.3064 -6.4688 -6.4688 -6.4688 -6.4688 -6.3029 -6.3029 -6.3029 -6.3029 -6.0616 -6.0616 -6.0616 -6.0616 -5.5723 -5.5723 -5.5722 -5.5722 -5.0686 -5.0686 -5.0686 -5.0686 -4.0436 -4.0436 -4.0436 -4.0436 -3.5329 -3.5329 -3.5329 -3.5329 -2.0348 -2.0348 -2.0347 -2.0347 4.7804 4.7804 4.7804 4.7804 k =-0.2910 1.1189 0.2976 ( 7744 PWs) bands (ev): -20.0389 -20.0389 -20.0389 -20.0389 -19.7440 -19.7440 -19.7440 -19.7440 -8.3434 -8.3434 -8.3434 -8.3434 -7.4771 -7.4771 -7.4771 -7.4771 -7.3011 -7.3011 -7.3011 -7.3011 -6.5266 -6.5266 -6.5266 -6.5266 -6.3144 -6.3144 -6.3144 -6.3144 -5.9909 -5.9909 -5.9909 -5.9909 -5.5441 -5.5441 -5.5441 -5.5441 -5.0505 -5.0505 -5.0505 -5.0505 -4.0353 -4.0353 -4.0353 -4.0353 -3.5538 -3.5538 -3.5537 -3.5537 -2.0490 -2.0490 -2.0490 -2.0490 4.7232 4.7232 4.7232 4.7232 k =-0.2954 1.0977 0.2976 ( 7740 PWs) bands (ev): -20.0522 -20.0522 -20.0522 -20.0522 -19.7456 -19.7456 -19.7455 -19.7455 -8.3085 -8.3085 -8.3085 -8.3085 -7.5201 -7.5201 -7.5200 -7.5200 -7.2934 -7.2934 -7.2934 -7.2934 -6.5852 -6.5852 -6.5851 -6.5851 -6.3270 -6.3270 -6.3270 -6.3270 -5.9176 -5.9176 -5.9176 -5.9176 -5.5188 -5.5188 -5.5188 -5.5188 -5.0300 -5.0300 -5.0300 -5.0300 -4.0264 -4.0264 -4.0263 -4.0263 -3.5768 -3.5768 -3.5767 -3.5767 -2.0646 -2.0646 -2.0645 -2.0645 4.6641 4.6641 4.6641 4.6641 k =-0.2998 1.0765 0.2976 ( 7740 PWs) bands (ev): -20.0667 -20.0667 -20.0666 -20.0666 -19.7473 -19.7473 -19.7472 -19.7472 -8.2706 -8.2706 -8.2706 -8.2706 -7.5629 -7.5629 -7.5629 -7.5629 -7.2843 -7.2843 -7.2843 -7.2843 -6.6441 -6.6441 -6.6440 -6.6440 -6.3406 -6.3406 -6.3406 -6.3406 -5.8425 -5.8425 -5.8424 -5.8424 -5.4963 -5.4963 -5.4962 -5.4962 -5.0073 -5.0073 -5.0073 -5.0073 -4.0168 -4.0168 -4.0167 -4.0167 -3.6017 -3.6017 -3.6017 -3.6017 -2.0812 -2.0812 -2.0811 -2.0811 4.6033 4.6033 4.6034 4.6034 k =-0.3041 1.0554 0.2976 ( 7736 PWs) bands (ev): -20.0822 -20.0822 -20.0821 -20.0821 -19.7491 -19.7491 -19.7490 -19.7490 -8.2299 -8.2299 -8.2299 -8.2299 -7.6051 -7.6051 -7.6051 -7.6051 -7.2739 -7.2739 -7.2739 -7.2739 -6.7030 -6.7030 -6.7030 -6.7030 -6.3552 -6.3552 -6.3552 -6.3552 -5.7661 -5.7661 -5.7661 -5.7661 -5.4762 -5.4762 -5.4762 -5.4762 -4.9826 -4.9826 -4.9826 -4.9826 -4.0067 -4.0067 -4.0066 -4.0066 -3.6287 -3.6287 -3.6286 -3.6286 -2.0988 -2.0988 -2.0988 -2.0988 4.5413 4.5413 4.5414 4.5414 k =-0.3085 1.0342 0.2976 ( 7748 PWs) bands (ev): -20.0987 -20.0987 -20.0987 -20.0987 -19.7510 -19.7510 -19.7510 -19.7510 -8.1866 -8.1866 -8.1865 -8.1865 -7.6462 -7.6462 -7.6462 -7.6462 -7.2626 -7.2626 -7.2626 -7.2626 -6.7617 -6.7617 -6.7617 -6.7617 -6.3708 -6.3708 -6.3707 -6.3707 -5.6893 -5.6893 -5.6893 -5.6893 -5.4580 -5.4580 -5.4579 -5.4579 -4.9562 -4.9562 -4.9562 -4.9562 -3.9961 -3.9961 -3.9960 -3.9960 -3.6574 -3.6574 -3.6573 -3.6573 -2.1172 -2.1172 -2.1172 -2.1172 4.4783 4.4783 4.4783 4.4783 k =-0.3128 1.0130 0.2976 ( 7750 PWs) bands (ev): -20.1162 -20.1162 -20.1161 -20.1161 -19.7531 -19.7531 -19.7530 -19.7530 -8.1409 -8.1409 -8.1409 -8.1409 -7.6860 -7.6860 -7.6859 -7.6859 -7.2505 -7.2505 -7.2505 -7.2505 -6.8199 -6.8199 -6.8199 -6.8199 -6.3870 -6.3870 -6.3870 -6.3870 -5.6132 -5.6132 -5.6131 -5.6131 -5.4406 -5.4406 -5.4405 -5.4405 -4.9285 -4.9285 -4.9285 -4.9285 -3.9851 -3.9851 -3.9850 -3.9850 -3.6879 -3.6879 -3.6878 -3.6878 -2.1364 -2.1364 -2.1363 -2.1363 4.4146 4.4146 4.4146 4.4146 k =-0.3172 0.9919 0.2976 ( 7746 PWs) bands (ev): -20.1345 -20.1345 -20.1345 -20.1345 -19.7553 -19.7553 -19.7552 -19.7552 -8.0934 -8.0934 -8.0933 -8.0933 -7.7240 -7.7240 -7.7240 -7.7240 -7.2379 -7.2379 -7.2379 -7.2379 -6.8771 -6.8771 -6.8771 -6.8771 -6.4040 -6.4040 -6.4040 -6.4040 -5.5406 -5.5406 -5.5405 -5.5405 -5.4210 -5.4210 -5.4208 -5.4208 -4.8998 -4.8998 -4.8997 -4.8997 -3.9739 -3.9739 -3.9738 -3.9738 -3.7199 -3.7199 -3.7198 -3.7198 -2.1560 -2.1560 -2.1560 -2.1560 4.3504 4.3504 4.3505 4.3505 k =-0.3215 0.9707 0.2976 ( 7740 PWs) bands (ev): -20.1537 -20.1537 -20.1536 -20.1536 -19.7575 -19.7575 -19.7575 -19.7575 -8.0445 -8.0445 -8.0444 -8.0444 -7.7600 -7.7600 -7.7599 -7.7599 -7.2251 -7.2251 -7.2251 -7.2251 -6.9327 -6.9327 -6.9327 -6.9327 -6.4216 -6.4216 -6.4216 -6.4216 -5.4804 -5.4804 -5.4802 -5.4802 -5.3904 -5.3904 -5.3902 -5.3902 -4.8703 -4.8703 -4.8702 -4.8702 -3.9627 -3.9627 -3.9626 -3.9626 -3.7532 -3.7532 -3.7531 -3.7531 -2.1760 -2.1760 -2.1759 -2.1759 4.2860 4.2860 4.2861 4.2861 k =-0.3259 0.9495 0.2976 ( 7740 PWs) bands (ev): -20.1736 -20.1736 -20.1735 -20.1735 -19.7599 -19.7599 -19.7599 -19.7599 -7.9957 -7.9957 -7.9956 -7.9956 -7.7927 -7.7927 -7.7927 -7.7927 -7.2131 -7.2131 -7.2131 -7.2131 -6.9857 -6.9857 -6.9857 -6.9857 -6.4398 -6.4398 -6.4398 -6.4398 -5.4451 -5.4451 -5.4449 -5.4449 -5.3363 -5.3363 -5.3361 -5.3361 -4.8403 -4.8403 -4.8403 -4.8403 -3.9519 -3.9519 -3.9517 -3.9517 -3.7875 -3.7875 -3.7874 -3.7874 -2.1960 -2.1960 -2.1960 -2.1960 4.2216 4.2216 4.2216 4.2216 k =-0.3302 0.9284 0.2976 ( 7726 PWs) bands (ev): -20.1941 -20.1941 -20.1941 -20.1941 -19.7624 -19.7624 -19.7624 -19.7624 -7.9506 -7.9506 -7.9504 -7.9504 -7.8190 -7.8190 -7.8188 -7.8188 -7.2037 -7.2037 -7.2037 -7.2037 -7.0338 -7.0338 -7.0338 -7.0338 -6.4584 -6.4584 -6.4584 -6.4584 -5.4272 -5.4272 -5.4271 -5.4271 -5.2662 -5.2662 -5.2660 -5.2660 -4.8100 -4.8100 -4.8100 -4.8100 -3.9423 -3.9423 -3.9420 -3.9420 -3.8219 -3.8219 -3.8216 -3.8216 -2.2159 -2.2159 -2.2159 -2.2159 4.1573 4.1573 4.1574 4.1574 k =-0.3346 0.9072 0.2976 ( 7726 PWs) bands (ev): -20.2153 -20.2153 -20.2152 -20.2152 -19.7650 -19.7650 -19.7650 -19.7650 -7.9224 -7.9224 -7.9222 -7.9222 -7.8261 -7.8261 -7.8259 -7.8259 -7.2017 -7.2017 -7.2017 -7.2017 -7.0718 -7.0718 -7.0718 -7.0718 -6.4774 -6.4774 -6.4773 -6.4773 -5.4157 -5.4157 -5.4156 -5.4156 -5.1913 -5.1913 -5.1911 -5.1911 -4.7796 -4.7796 -4.7796 -4.7796 -3.9365 -3.9365 -3.9362 -3.9362 -3.8536 -3.8536 -3.8532 -3.8532 -2.2355 -2.2355 -2.2355 -2.2355 4.0934 4.0934 4.0935 4.0935 k =-0.3389 0.8860 0.2976 ( 7718 PWs) bands (ev): -20.2369 -20.2369 -20.2369 -20.2369 -19.7677 -19.7677 -19.7676 -19.7676 -7.9271 -7.9271 -7.9269 -7.9269 -7.7989 -7.7989 -7.7987 -7.7987 -7.2148 -7.2148 -7.2147 -7.2147 -7.0912 -7.0912 -7.0912 -7.0912 -6.4966 -6.4966 -6.4966 -6.4966 -5.4068 -5.4068 -5.4067 -5.4067 -5.1156 -5.1156 -5.1155 -5.1155 -4.7491 -4.7491 -4.7490 -4.7490 -3.9429 -3.9429 -3.9424 -3.9424 -3.8744 -3.8744 -3.8740 -3.8740 -2.2544 -2.2544 -2.2544 -2.2544 4.0300 4.0300 4.0301 4.0301 k =-0.3433 0.8649 0.2976 ( 7730 PWs) bands (ev): -20.2590 -20.2590 -20.2590 -20.2590 -19.7704 -19.7704 -19.7704 -19.7704 -7.9484 -7.9484 -7.9483 -7.9483 -7.7550 -7.7550 -7.7548 -7.7548 -7.2429 -7.2429 -7.2429 -7.2429 -7.0909 -7.0909 -7.0909 -7.0909 -6.5161 -6.5161 -6.5161 -6.5161 -5.3991 -5.3991 -5.3991 -5.3991 -5.0409 -5.0409 -5.0408 -5.0408 -4.7183 -4.7183 -4.7183 -4.7183 -3.9684 -3.9684 -3.9681 -3.9681 -3.8770 -3.8770 -3.8767 -3.8767 -2.2724 -2.2724 -2.2724 -2.2724 3.9672 3.9672 3.9673 3.9673 k =-0.3476 0.8437 0.2976 ( 7738 PWs) bands (ev): -20.2815 -20.2815 -20.2815 -20.2815 -19.7732 -19.7732 -19.7732 -19.7732 -7.9735 -7.9735 -7.9734 -7.9734 -7.7097 -7.7097 -7.7096 -7.7096 -7.2754 -7.2754 -7.2754 -7.2754 -7.0793 -7.0793 -7.0793 -7.0793 -6.5358 -6.5358 -6.5358 -6.5358 -5.3922 -5.3922 -5.3921 -5.3921 -4.9682 -4.9682 -4.9682 -4.9682 -4.6872 -4.6872 -4.6871 -4.6871 -4.0050 -4.0050 -4.0047 -4.0047 -3.8697 -3.8697 -3.8695 -3.8695 -2.2892 -2.2892 -2.2892 -2.2892 3.9052 3.9052 3.9053 3.9053 k =-0.3520 0.8225 0.2976 ( 7738 PWs) bands (ev): -20.3043 -20.3043 -20.3043 -20.3043 -19.7761 -19.7761 -19.7760 -19.7760 -7.9988 -7.9988 -7.9987 -7.9987 -7.6706 -7.6706 -7.6705 -7.6705 -7.3026 -7.3026 -7.3025 -7.3025 -7.0623 -7.0623 -7.0623 -7.0623 -6.5554 -6.5554 -6.5554 -6.5554 -5.3854 -5.3854 -5.3854 -5.3854 -4.8986 -4.8986 -4.8986 -4.8986 -4.6552 -4.6552 -4.6551 -4.6551 -4.0459 -4.0459 -4.0457 -4.0457 -3.8592 -3.8592 -3.8590 -3.8590 -2.3044 -2.3044 -2.3044 -2.3044 3.8441 3.8441 3.8442 3.8442 k =-0.3563 0.8014 0.2976 ( 7736 PWs) bands (ev): -20.3273 -20.3273 -20.3273 -20.3273 -19.7790 -19.7790 -19.7789 -19.7789 -8.0234 -8.0234 -8.0233 -8.0233 -7.6447 -7.6447 -7.6446 -7.6446 -7.3159 -7.3159 -7.3159 -7.3159 -7.0424 -7.0424 -7.0424 -7.0424 -6.5750 -6.5750 -6.5750 -6.5750 -5.3787 -5.3787 -5.3787 -5.3787 -4.8334 -4.8334 -4.8333 -4.8333 -4.6217 -4.6217 -4.6216 -4.6216 -4.0890 -4.0890 -4.0889 -4.0889 -3.8474 -3.8474 -3.8473 -3.8473 -2.3178 -2.3178 -2.3177 -2.3177 3.7840 3.7840 3.7840 3.7840 k =-0.3607 0.7802 0.2976 ( 7748 PWs) bands (ev): -20.3504 -20.3504 -20.3504 -20.3504 -19.7819 -19.7819 -19.7819 -19.7819 -8.0469 -8.0469 -8.0468 -8.0468 -7.6382 -7.6382 -7.6381 -7.6381 -7.3091 -7.3091 -7.3090 -7.3090 -7.0206 -7.0206 -7.0206 -7.0206 -6.5945 -6.5945 -6.5944 -6.5944 -5.3719 -5.3719 -5.3718 -5.3718 -4.7739 -4.7739 -4.7739 -4.7739 -4.5857 -4.5857 -4.5857 -4.5857 -4.1336 -4.1336 -4.1335 -4.1335 -3.8352 -3.8352 -3.8351 -3.8351 -2.3288 -2.3288 -2.3288 -2.3288 3.7249 3.7249 3.7250 3.7250 k =-0.3651 0.7590 0.2976 ( 7756 PWs) bands (ev): -20.3737 -20.3737 -20.3736 -20.3736 -19.7849 -19.7849 -19.7849 -19.7849 -8.0693 -8.0693 -8.0692 -8.0692 -7.6512 -7.6512 -7.6512 -7.6512 -7.2817 -7.2817 -7.2817 -7.2817 -6.9972 -6.9972 -6.9972 -6.9972 -6.6136 -6.6136 -6.6136 -6.6136 -5.3646 -5.3646 -5.3646 -5.3646 -4.7216 -4.7216 -4.7216 -4.7216 -4.5465 -4.5465 -4.5464 -4.5464 -4.1793 -4.1793 -4.1792 -4.1792 -3.8228 -3.8228 -3.8227 -3.8227 -2.3373 -2.3373 -2.3372 -2.3372 3.6670 3.6670 3.6671 3.6671 k =-0.3694 0.7379 0.2976 ( 7760 PWs) bands (ev): -20.3969 -20.3969 -20.3969 -20.3969 -19.7880 -19.7880 -19.7879 -19.7879 -8.0903 -8.0903 -8.0903 -8.0903 -7.6782 -7.6782 -7.6781 -7.6781 -7.2398 -7.2398 -7.2398 -7.2398 -6.9725 -6.9725 -6.9725 -6.9725 -6.6323 -6.6323 -6.6323 -6.6323 -5.3569 -5.3569 -5.3568 -5.3568 -4.6772 -4.6772 -4.6771 -4.6771 -4.5037 -4.5037 -4.5036 -4.5036 -4.2258 -4.2258 -4.2257 -4.2257 -3.8104 -3.8104 -3.8104 -3.8104 -2.3427 -2.3427 -2.3426 -2.3426 3.6104 3.6104 3.6104 3.6104 k =-0.3738 0.7167 0.2976 ( 7744 PWs) bands (ev): -20.4201 -20.4201 -20.4200 -20.4200 -19.7910 -19.7910 -19.7910 -19.7910 -8.1101 -8.1101 -8.1100 -8.1100 -7.7130 -7.7130 -7.7130 -7.7130 -7.1896 -7.1896 -7.1895 -7.1895 -6.9465 -6.9465 -6.9465 -6.9465 -6.6503 -6.6503 -6.6503 -6.6503 -5.3484 -5.3484 -5.3484 -5.3484 -4.6402 -4.6402 -4.6402 -4.6402 -4.4583 -4.4583 -4.4583 -4.4583 -4.2728 -4.2728 -4.2727 -4.2727 -3.7981 -3.7981 -3.7980 -3.7980 -2.3447 -2.3447 -2.3447 -2.3447 3.5551 3.5551 3.5551 3.5551 k =-0.3781 0.6955 0.2976 ( 7764 PWs) bands (ev): -20.4431 -20.4431 -20.4431 -20.4431 -19.7940 -19.7940 -19.7940 -19.7940 -8.1287 -8.1287 -8.1287 -8.1287 -7.7519 -7.7519 -7.7519 -7.7519 -7.1355 -7.1355 -7.1355 -7.1355 -6.9193 -6.9193 -6.9193 -6.9193 -6.6676 -6.6676 -6.6675 -6.6675 -5.3391 -5.3391 -5.3391 -5.3391 -4.6094 -4.6094 -4.6094 -4.6094 -4.4127 -4.4127 -4.4126 -4.4126 -4.3197 -4.3197 -4.3197 -4.3197 -3.7859 -3.7859 -3.7859 -3.7859 -2.3431 -2.3431 -2.3430 -2.3430 3.5011 3.5011 3.5012 3.5012 k =-0.3825 0.6744 0.2976 ( 7772 PWs) bands (ev): -20.4659 -20.4659 -20.4659 -20.4659 -19.7971 -19.7971 -19.7970 -19.7970 -8.1462 -8.1462 -8.1461 -8.1461 -7.7926 -7.7926 -7.7925 -7.7925 -7.0806 -7.0806 -7.0806 -7.0806 -6.8905 -6.8905 -6.8905 -6.8905 -6.6835 -6.6835 -6.6834 -6.6834 -5.3289 -5.3289 -5.3289 -5.3289 -4.5834 -4.5834 -4.5833 -4.5833 -4.3815 -4.3815 -4.3814 -4.3814 -4.3534 -4.3534 -4.3534 -4.3534 -3.7740 -3.7740 -3.7739 -3.7739 -2.3375 -2.3375 -2.3374 -2.3374 3.4487 3.4487 3.4487 3.4487 k =-0.3868 0.6532 0.2976 ( 7760 PWs) bands (ev): -20.4885 -20.4885 -20.4885 -20.4885 -19.8001 -19.8001 -19.8001 -19.8001 -8.1625 -8.1625 -8.1624 -8.1624 -7.8338 -7.8338 -7.8337 -7.8337 -7.0272 -7.0272 -7.0272 -7.0272 -6.8598 -6.8598 -6.8598 -6.8598 -6.6975 -6.6975 -6.6975 -6.6975 -5.3176 -5.3176 -5.3176 -5.3176 -4.5613 -4.5613 -4.5612 -4.5612 -4.4204 -4.4204 -4.4204 -4.4204 -4.3192 -4.3192 -4.3191 -4.3191 -3.7622 -3.7622 -3.7622 -3.7622 -2.3276 -2.3276 -2.3276 -2.3276 3.3977 3.3977 3.3978 3.3978 k =-0.3912 0.6320 0.2976 ( 7756 PWs) bands (ev): -20.5108 -20.5108 -20.5107 -20.5107 -19.8031 -19.8031 -19.8031 -19.8031 -8.1778 -8.1778 -8.1777 -8.1777 -7.8746 -7.8746 -7.8746 -7.8746 -6.9780 -6.9780 -6.9779 -6.9779 -6.8267 -6.8267 -6.8267 -6.8267 -6.7087 -6.7087 -6.7086 -6.7086 -5.3051 -5.3051 -5.3050 -5.3050 -4.5434 -4.5434 -4.5433 -4.5433 -4.4668 -4.4668 -4.4667 -4.4667 -4.2797 -4.2797 -4.2796 -4.2796 -3.7508 -3.7508 -3.7507 -3.7507 -2.3134 -2.3134 -2.3133 -2.3133 3.3483 3.3483 3.3484 3.3484 k =-0.3955 0.6109 0.2976 ( 7766 PWs) bands (ev): -20.5326 -20.5326 -20.5326 -20.5326 -19.8061 -19.8061 -19.8061 -19.8061 -8.1922 -8.1922 -8.1921 -8.1921 -7.9147 -7.9147 -7.9146 -7.9146 -6.9360 -6.9360 -6.9360 -6.9360 -6.7907 -6.7907 -6.7907 -6.7907 -6.7151 -6.7151 -6.7151 -6.7151 -5.2912 -5.2912 -5.2912 -5.2912 -4.5396 -4.5396 -4.5395 -4.5395 -4.5021 -4.5021 -4.5021 -4.5021 -4.2435 -4.2435 -4.2434 -4.2434 -3.7396 -3.7396 -3.7396 -3.7396 -2.2947 -2.2947 -2.2947 -2.2947 3.3005 3.3005 3.3006 3.3006 k =-0.3999 0.5897 0.2976 ( 7754 PWs) bands (ev): -20.5541 -20.5541 -20.5540 -20.5540 -19.8090 -19.8090 -19.8090 -19.8090 -8.2058 -8.2058 -8.2057 -8.2057 -7.9535 -7.9535 -7.9535 -7.9535 -6.9046 -6.9046 -6.9046 -6.9046 -6.7525 -6.7525 -6.7525 -6.7525 -6.7132 -6.7132 -6.7132 -6.7132 -5.2759 -5.2759 -5.2759 -5.2759 -4.5761 -4.5761 -4.5760 -4.5760 -4.4994 -4.4994 -4.4993 -4.4993 -4.2113 -4.2113 -4.2112 -4.2112 -3.7288 -3.7288 -3.7287 -3.7287 -2.2717 -2.2717 -2.2717 -2.2717 3.2543 3.2543 3.2544 3.2544 k =-0.4042 0.5685 0.2976 ( 7756 PWs) bands (ev): -20.5750 -20.5750 -20.5749 -20.5749 -19.8119 -19.8119 -19.8119 -19.8119 -8.2188 -8.2188 -8.2187 -8.2187 -7.9909 -7.9909 -7.9908 -7.9908 -6.8859 -6.8859 -6.8859 -6.8859 -6.7204 -6.7204 -6.7203 -6.7203 -6.6932 -6.6932 -6.6931 -6.6931 -5.2592 -5.2592 -5.2591 -5.2591 -4.6239 -4.6239 -4.6239 -4.6239 -4.4870 -4.4870 -4.4869 -4.4869 -4.1834 -4.1834 -4.1833 -4.1833 -3.7183 -3.7183 -3.7183 -3.7183 -2.2445 -2.2445 -2.2445 -2.2445 3.2099 3.2099 3.2100 3.2100 k =-0.4086 0.5474 0.2976 ( 7746 PWs) bands (ev): -20.5953 -20.5953 -20.5953 -20.5953 -19.8148 -19.8148 -19.8147 -19.8147 -8.2314 -8.2314 -8.2313 -8.2313 -8.0263 -8.0263 -8.0262 -8.0262 -6.8790 -6.8790 -6.8789 -6.8789 -6.6981 -6.6981 -6.6980 -6.6980 -6.6525 -6.6525 -6.6525 -6.6525 -5.2409 -5.2409 -5.2408 -5.2408 -4.6733 -4.6733 -4.6732 -4.6732 -4.4745 -4.4745 -4.4744 -4.4744 -4.1599 -4.1599 -4.1597 -4.1597 -3.7082 -3.7082 -3.7082 -3.7082 -2.2134 -2.2134 -2.2133 -2.2133 3.1672 3.1672 3.1672 3.1672 k =-0.4129 0.5262 0.2976 ( 7758 PWs) bands (ev): -20.6151 -20.6151 -20.6151 -20.6151 -19.8175 -19.8175 -19.8175 -19.8175 -8.2440 -8.2440 -8.2439 -8.2439 -8.0595 -8.0595 -8.0594 -8.0594 -6.8804 -6.8804 -6.8804 -6.8804 -6.6735 -6.6735 -6.6734 -6.6734 -6.6070 -6.6070 -6.6070 -6.6070 -5.2211 -5.2211 -5.2210 -5.2210 -4.7230 -4.7230 -4.7229 -4.7229 -4.4629 -4.4629 -4.4628 -4.4628 -4.1405 -4.1405 -4.1403 -4.1403 -3.6985 -3.6985 -3.6985 -3.6985 -2.1787 -2.1787 -2.1787 -2.1787 3.1262 3.1262 3.1263 3.1263 k =-0.4173 0.5050 0.2976 ( 7768 PWs) bands (ev): -20.6342 -20.6342 -20.6342 -20.6342 -19.8202 -19.8202 -19.8202 -19.8202 -8.2568 -8.2568 -8.2567 -8.2567 -8.0901 -8.0901 -8.0900 -8.0900 -6.8868 -6.8868 -6.8868 -6.8868 -6.6457 -6.6457 -6.6456 -6.6456 -6.5614 -6.5614 -6.5614 -6.5614 -5.1998 -5.1998 -5.1998 -5.1998 -4.7727 -4.7727 -4.7726 -4.7726 -4.4522 -4.4522 -4.4521 -4.4521 -4.1251 -4.1251 -4.1249 -4.1249 -3.6892 -3.6892 -3.6892 -3.6892 -2.1410 -2.1410 -2.1409 -2.1409 3.0871 3.0871 3.0872 3.0872 k =-0.4216 0.4838 0.2976 ( 7768 PWs) bands (ev): -20.6526 -20.6526 -20.6526 -20.6526 -19.8229 -19.8229 -19.8228 -19.8228 -8.2702 -8.2702 -8.2701 -8.2701 -8.1177 -8.1177 -8.1176 -8.1176 -6.8958 -6.8958 -6.8958 -6.8958 -6.6157 -6.6157 -6.6157 -6.6157 -6.5171 -6.5171 -6.5171 -6.5171 -5.1773 -5.1773 -5.1772 -5.1772 -4.8221 -4.8221 -4.8221 -4.8221 -4.4423 -4.4423 -4.4422 -4.4422 -4.1133 -4.1133 -4.1131 -4.1131 -3.6804 -3.6804 -3.6803 -3.6803 -2.1007 -2.1007 -2.1007 -2.1007 3.0498 3.0498 3.0499 3.0499 k =-0.4260 0.4627 0.2976 ( 7768 PWs) bands (ev): -20.6703 -20.6703 -20.6703 -20.6703 -19.8254 -19.8254 -19.8254 -19.8254 -8.2846 -8.2846 -8.2845 -8.2845 -8.1419 -8.1419 -8.1418 -8.1418 -6.9061 -6.9061 -6.9061 -6.9061 -6.5844 -6.5844 -6.5844 -6.5844 -6.4749 -6.4749 -6.4749 -6.4749 -5.1537 -5.1537 -5.1536 -5.1536 -4.8711 -4.8711 -4.8711 -4.8711 -4.4331 -4.4331 -4.4330 -4.4330 -4.1048 -4.1048 -4.1047 -4.1047 -3.6719 -3.6719 -3.6719 -3.6719 -2.0584 -2.0584 -2.0584 -2.0584 3.0143 3.0143 3.0144 3.0144 k =-0.4303 0.4415 0.2976 ( 7776 PWs) bands (ev): -20.6872 -20.6872 -20.6872 -20.6872 -19.8278 -19.8278 -19.8278 -19.8278 -8.3003 -8.3003 -8.3002 -8.3002 -8.1624 -8.1624 -8.1624 -8.1624 -6.9170 -6.9170 -6.9170 -6.9170 -6.5523 -6.5523 -6.5522 -6.5522 -6.4351 -6.4351 -6.4351 -6.4351 -5.1296 -5.1296 -5.1296 -5.1296 -4.9192 -4.9192 -4.9192 -4.9192 -4.4246 -4.4246 -4.4245 -4.4245 -4.0993 -4.0993 -4.0992 -4.0992 -3.6639 -3.6639 -3.6639 -3.6639 -2.0148 -2.0148 -2.0147 -2.0147 2.9808 2.9808 2.9809 2.9809 k =-0.4347 0.4203 0.2976 ( 7764 PWs) bands (ev): -20.7033 -20.7033 -20.7032 -20.7032 -19.8302 -19.8302 -19.8301 -19.8301 -8.3171 -8.3171 -8.3170 -8.3170 -8.1793 -8.1793 -8.1793 -8.1793 -6.9279 -6.9279 -6.9279 -6.9279 -6.5197 -6.5197 -6.5196 -6.5196 -6.3980 -6.3980 -6.3980 -6.3980 -5.1063 -5.1063 -5.1062 -5.1062 -4.9653 -4.9653 -4.9653 -4.9653 -4.4164 -4.4164 -4.4163 -4.4163 -4.0964 -4.0964 -4.0963 -4.0963 -3.6564 -3.6564 -3.6564 -3.6564 -1.9703 -1.9703 -1.9703 -1.9703 2.9492 2.9492 2.9492 2.9492 k =-0.4391 0.3992 0.2976 ( 7764 PWs) bands (ev): -20.7185 -20.7185 -20.7184 -20.7184 -19.8324 -19.8324 -19.8323 -19.8323 -8.3350 -8.3350 -8.3349 -8.3349 -8.1929 -8.1929 -8.1928 -8.1928 -6.9387 -6.9387 -6.9387 -6.9387 -6.4869 -6.4869 -6.4868 -6.4868 -6.3635 -6.3635 -6.3635 -6.3635 -5.0880 -5.0880 -5.0879 -5.0879 -5.0053 -5.0053 -5.0052 -5.0052 -4.4085 -4.4085 -4.4084 -4.4084 -4.0959 -4.0959 -4.0957 -4.0957 -3.6493 -3.6493 -3.6493 -3.6493 -1.9256 -1.9256 -1.9256 -1.9256 2.9195 2.9195 2.9195 2.9195 k =-0.4434 0.3780 0.2976 ( 7764 PWs) bands (ev): -20.7328 -20.7328 -20.7327 -20.7327 -19.8345 -19.8345 -19.8344 -19.8344 -8.3534 -8.3534 -8.3534 -8.3534 -8.2036 -8.2036 -8.2035 -8.2035 -6.9491 -6.9491 -6.9491 -6.9491 -6.4541 -6.4541 -6.4541 -6.4541 -6.3316 -6.3316 -6.3316 -6.3316 -5.0930 -5.0930 -5.0929 -5.0929 -5.0212 -5.0212 -5.0212 -5.0212 -4.4006 -4.4006 -4.4005 -4.4005 -4.0973 -4.0973 -4.0971 -4.0971 -3.6427 -3.6427 -3.6427 -3.6427 -1.8813 -1.8813 -1.8813 -1.8813 2.8917 2.8917 2.8918 2.8918 k =-0.4478 0.3568 0.2976 ( 7768 PWs) bands (ev): -20.7461 -20.7461 -20.7461 -20.7461 -19.8364 -19.8364 -19.8364 -19.8364 -8.3718 -8.3718 -8.3718 -8.3718 -8.2120 -8.2120 -8.2119 -8.2119 -6.9590 -6.9590 -6.9590 -6.9590 -6.4218 -6.4218 -6.4218 -6.4218 -6.3021 -6.3021 -6.3021 -6.3021 -5.1274 -5.1274 -5.1274 -5.1274 -5.0072 -5.0072 -5.0071 -5.0071 -4.3926 -4.3926 -4.3926 -4.3926 -4.1005 -4.1005 -4.1003 -4.1003 -3.6365 -3.6365 -3.6365 -3.6365 -1.8379 -1.8379 -1.8379 -1.8379 2.8659 2.8659 2.8660 2.8660 k =-0.4521 0.3357 0.2976 ( 7776 PWs) bands (ev): -20.7585 -20.7585 -20.7585 -20.7585 -19.8383 -19.8383 -19.8382 -19.8382 -8.3898 -8.3898 -8.3897 -8.3897 -8.2185 -8.2185 -8.2185 -8.2185 -6.9683 -6.9683 -6.9683 -6.9683 -6.3903 -6.3903 -6.3902 -6.3902 -6.2747 -6.2747 -6.2747 -6.2747 -5.1697 -5.1697 -5.1697 -5.1697 -4.9851 -4.9851 -4.9850 -4.9850 -4.3844 -4.3844 -4.3843 -4.3843 -4.1051 -4.1051 -4.1049 -4.1049 -3.6309 -3.6309 -3.6309 -3.6309 -1.7960 -1.7960 -1.7960 -1.7960 2.8422 2.8422 2.8422 2.8422 k =-0.4565 0.3145 0.2976 ( 7776 PWs) bands (ev): -20.7699 -20.7699 -20.7699 -20.7699 -19.8400 -19.8400 -19.8399 -19.8399 -8.4069 -8.4069 -8.4069 -8.4069 -8.2237 -8.2237 -8.2236 -8.2236 -6.9769 -6.9769 -6.9769 -6.9769 -6.3599 -6.3599 -6.3599 -6.3599 -6.2490 -6.2490 -6.2490 -6.2490 -5.2130 -5.2130 -5.2129 -5.2129 -4.9619 -4.9619 -4.9618 -4.9618 -4.3756 -4.3756 -4.3756 -4.3756 -4.1111 -4.1111 -4.1109 -4.1109 -3.6257 -3.6257 -3.6257 -3.6257 -1.7560 -1.7560 -1.7560 -1.7560 2.8204 2.8204 2.8205 2.8205 k =-0.4608 0.2933 0.2976 ( 7786 PWs) bands (ev): -20.7804 -20.7804 -20.7803 -20.7803 -19.8415 -19.8415 -19.8415 -19.8415 -8.4229 -8.4229 -8.4229 -8.4229 -8.2277 -8.2277 -8.2277 -8.2277 -6.9849 -6.9849 -6.9848 -6.9848 -6.3314 -6.3314 -6.3314 -6.3314 -6.2246 -6.2246 -6.2246 -6.2246 -5.2556 -5.2556 -5.2556 -5.2556 -4.9395 -4.9395 -4.9394 -4.9394 -4.3663 -4.3663 -4.3662 -4.3662 -4.1182 -4.1182 -4.1181 -4.1181 -3.6210 -3.6210 -3.6210 -3.6210 -1.7184 -1.7184 -1.7184 -1.7184 2.8007 2.8007 2.8008 2.8008 k =-0.4652 0.2722 0.2976 ( 7794 PWs) bands (ev): -20.7897 -20.7897 -20.7897 -20.7897 -19.8429 -19.8429 -19.8429 -19.8429 -8.4376 -8.4376 -8.4376 -8.4376 -8.2309 -8.2309 -8.2308 -8.2308 -6.9921 -6.9921 -6.9920 -6.9920 -6.3054 -6.3054 -6.3054 -6.3054 -6.2010 -6.2010 -6.2010 -6.2010 -5.2969 -5.2969 -5.2968 -5.2968 -4.9186 -4.9186 -4.9185 -4.9185 -4.3562 -4.3562 -4.3562 -4.3562 -4.1264 -4.1264 -4.1262 -4.1262 -3.6168 -3.6168 -3.6168 -3.6168 -1.6836 -1.6836 -1.6836 -1.6836 2.7830 2.7830 2.7831 2.7831 k =-0.4695 0.2510 0.2976 ( 7790 PWs) bands (ev): -20.7980 -20.7980 -20.7980 -20.7980 -19.8442 -19.8442 -19.8441 -19.8441 -8.4508 -8.4508 -8.4508 -8.4508 -8.2333 -8.2333 -8.2333 -8.2333 -6.9984 -6.9984 -6.9984 -6.9984 -6.2824 -6.2824 -6.2824 -6.2824 -6.1777 -6.1777 -6.1777 -6.1777 -5.3362 -5.3362 -5.3362 -5.3362 -4.8996 -4.8996 -4.8995 -4.8995 -4.3455 -4.3455 -4.3455 -4.3455 -4.1353 -4.1353 -4.1351 -4.1351 -3.6131 -3.6131 -3.6131 -3.6131 -1.6519 -1.6519 -1.6519 -1.6519 2.7673 2.7673 2.7674 2.7674 k =-0.4739 0.2298 0.2976 ( 7790 PWs) bands (ev): -20.8053 -20.8053 -20.8053 -20.8053 -19.8452 -19.8452 -19.8452 -19.8452 -8.4624 -8.4624 -8.4624 -8.4624 -8.2352 -8.2352 -8.2352 -8.2352 -7.0040 -7.0040 -7.0040 -7.0040 -6.2629 -6.2629 -6.2629 -6.2629 -6.1548 -6.1548 -6.1548 -6.1548 -5.3730 -5.3730 -5.3730 -5.3730 -4.8830 -4.8830 -4.8828 -4.8828 -4.3342 -4.3342 -4.3341 -4.3341 -4.1450 -4.1450 -4.1448 -4.1448 -3.6099 -3.6099 -3.6098 -3.6098 -1.6238 -1.6238 -1.6238 -1.6238 2.7536 2.7536 2.7537 2.7537 k =-0.4782 0.2087 0.2976 ( 7802 PWs) bands (ev): -20.8115 -20.8115 -20.8114 -20.8114 -19.8462 -19.8462 -19.8461 -19.8461 -8.4724 -8.4724 -8.4724 -8.4724 -8.2367 -8.2367 -8.2366 -8.2366 -7.0088 -7.0088 -7.0088 -7.0088 -6.2470 -6.2470 -6.2470 -6.2470 -6.1326 -6.1326 -6.1326 -6.1326 -5.4067 -5.4067 -5.4067 -5.4067 -4.8687 -4.8687 -4.8686 -4.8686 -4.3225 -4.3225 -4.3224 -4.3224 -4.1551 -4.1551 -4.1549 -4.1549 -3.6071 -3.6071 -3.6071 -3.6071 -1.5995 -1.5995 -1.5995 -1.5995 2.7412 2.7412 2.7412 2.7412 k =-0.4826 0.1875 0.2976 ( 7812 PWs) bands (ev): -20.8165 -20.8165 -20.8165 -20.8165 -19.8469 -19.8469 -19.8469 -19.8469 -8.4806 -8.4806 -8.4806 -8.4806 -8.2377 -8.2377 -8.2377 -8.2377 -7.0127 -7.0127 -7.0127 -7.0127 -6.2345 -6.2345 -6.2345 -6.2345 -6.1119 -6.1119 -6.1119 -6.1119 -5.4364 -5.4364 -5.4364 -5.4364 -4.8571 -4.8571 -4.8569 -4.8569 -4.3107 -4.3107 -4.3107 -4.3107 -4.1654 -4.1654 -4.1652 -4.1652 -3.6049 -3.6049 -3.6049 -3.6049 -1.5792 -1.5792 -1.5792 -1.5792 2.7240 2.7240 2.7241 2.7241 k =-0.4869 0.1663 0.2976 ( 7808 PWs) bands (ev): -20.8204 -20.8204 -20.8204 -20.8204 -19.8475 -19.8475 -19.8475 -19.8475 -8.4870 -8.4870 -8.4870 -8.4870 -8.2385 -8.2385 -8.2385 -8.2385 -7.0158 -7.0158 -7.0158 -7.0158 -6.2252 -6.2252 -6.2252 -6.2252 -6.0938 -6.0938 -6.0938 -6.0938 -5.4612 -5.4612 -5.4612 -5.4612 -4.8480 -4.8480 -4.8478 -4.8478 -4.2994 -4.2994 -4.2994 -4.2994 -4.1753 -4.1753 -4.1751 -4.1751 -3.6032 -3.6032 -3.6031 -3.6031 -1.5633 -1.5633 -1.5633 -1.5633 2.7089 2.7089 2.7090 2.7090 k =-0.4913 0.1452 0.2976 ( 7808 PWs) bands (ev): -20.8233 -20.8233 -20.8232 -20.8232 -19.8480 -19.8480 -19.8479 -19.8479 -8.4916 -8.4916 -8.4916 -8.4916 -8.2391 -8.2391 -8.2390 -8.2390 -7.0180 -7.0180 -7.0180 -7.0180 -6.2188 -6.2188 -6.2188 -6.2188 -6.0797 -6.0797 -6.0797 -6.0797 -5.4800 -5.4800 -5.4799 -5.4799 -4.8416 -4.8416 -4.8414 -4.8414 -4.2896 -4.2896 -4.2896 -4.2896 -4.1841 -4.1841 -4.1839 -4.1839 -3.6019 -3.6019 -3.6019 -3.6019 -1.5517 -1.5517 -1.5517 -1.5517 2.6980 2.6980 2.6980 2.6980 k =-0.4956 0.1240 0.2976 ( 7812 PWs) bands (ev): -20.8250 -20.8250 -20.8249 -20.8249 -19.8482 -19.8482 -19.8482 -19.8482 -8.4944 -8.4944 -8.4944 -8.4944 -8.2394 -8.2394 -8.2394 -8.2394 -7.0193 -7.0193 -7.0193 -7.0193 -6.2151 -6.2151 -6.2151 -6.2151 -6.0706 -6.0706 -6.0706 -6.0706 -5.4917 -5.4917 -5.4917 -5.4917 -4.8377 -4.8377 -4.8375 -4.8375 -4.2825 -4.2825 -4.2825 -4.2825 -4.1905 -4.1905 -4.1903 -4.1903 -3.6012 -3.6012 -3.6012 -3.6012 -1.5448 -1.5448 -1.5448 -1.5448 2.6914 2.6914 2.6914 2.6914 k =-0.5000 0.1028 0.2976 ( 7816 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -19.8483 -19.8483 -19.8483 -19.8483 -8.4953 -8.4953 -8.4953 -8.4953 -8.2395 -8.2395 -8.2395 -8.2395 -7.0197 -7.0197 -7.0197 -7.0197 -6.2139 -6.2139 -6.2139 -6.2139 -6.0675 -6.0675 -6.0675 -6.0675 -5.4957 -5.4957 -5.4957 -5.4957 -4.8364 -4.8364 -4.8362 -4.8362 -4.2799 -4.2799 -4.2799 -4.2799 -4.1929 -4.1929 -4.1927 -4.1927 -3.6009 -3.6009 -3.6009 -3.6009 -1.5425 -1.5425 -1.5425 -1.5425 2.6892 2.6892 2.6892 2.6893 k =-0.5000 0.1028 0.2976 ( 7816 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -19.8483 -19.8483 -19.8483 -19.8483 -8.4953 -8.4953 -8.4953 -8.4953 -8.2395 -8.2395 -8.2395 -8.2395 -7.0197 -7.0197 -7.0197 -7.0197 -6.2139 -6.2139 -6.2139 -6.2139 -6.0675 -6.0675 -6.0675 -6.0675 -5.4957 -5.4957 -5.4957 -5.4957 -4.8364 -4.8364 -4.8362 -4.8362 -4.2799 -4.2799 -4.2799 -4.2799 -4.1929 -4.1929 -4.1927 -4.1927 -3.6009 -3.6009 -3.6009 -3.6009 -1.5425 -1.5425 -1.5425 -1.5425 2.6892 2.6892 2.6892 2.6893 k =-0.5000 0.1028 0.2764 ( 7806 PWs) bands (ev): -20.8278 -20.8278 -20.8232 -20.8232 -19.8514 -19.8514 -19.8452 -19.8452 -8.5044 -8.5044 -8.4862 -8.4862 -8.2400 -8.2400 -8.2389 -8.2389 -7.0208 -7.0208 -7.0186 -7.0186 -6.2144 -6.2144 -6.2133 -6.2133 -6.0680 -6.0680 -6.0670 -6.0670 -5.5006 -5.5006 -5.4908 -5.4908 -4.8442 -4.8442 -4.8276 -4.8276 -4.2827 -4.2827 -4.2785 -4.2785 -4.2198 -4.2198 -4.1652 -4.1652 -3.6063 -3.6063 -3.5956 -3.5956 -1.5432 -1.5432 -1.5418 -1.5418 2.6539 2.6539 2.6978 2.6978 k =-0.5000 0.1028 0.2551 ( 7810 PWs) bands (ev): -20.8300 -20.8300 -20.8210 -20.8210 -19.8546 -19.8546 -19.8421 -19.8421 -8.5134 -8.5134 -8.4771 -8.4771 -8.2405 -8.2405 -8.2382 -8.2382 -7.0220 -7.0220 -7.0175 -7.0175 -6.2149 -6.2149 -6.2128 -6.2128 -6.0685 -6.0685 -6.0665 -6.0665 -5.5055 -5.5055 -5.4859 -5.4859 -4.8514 -4.8514 -4.8181 -4.8181 -4.2893 -4.2893 -4.2778 -4.2778 -4.2434 -4.2434 -4.1381 -4.1381 -3.6116 -3.6116 -3.5903 -3.5903 -1.5438 -1.5438 -1.5411 -1.5411 2.6198 2.6199 2.6801 2.6801 k =-0.5000 0.1028 0.2338 ( 7814 PWs) bands (ev): -20.8322 -20.8322 -20.8187 -20.8187 -19.8576 -19.8576 -19.8391 -19.8391 -8.5222 -8.5222 -8.4684 -8.4684 -8.2410 -8.2410 -8.2375 -8.2375 -7.0230 -7.0230 -7.0164 -7.0164 -6.2154 -6.2154 -6.2122 -6.2122 -6.0689 -6.0689 -6.0660 -6.0660 -5.5101 -5.5101 -5.4812 -5.4812 -4.8579 -4.8579 -4.8077 -4.8077 -4.3046 -4.3046 -4.2775 -4.2775 -4.2585 -4.2585 -4.1119 -4.1119 -3.6168 -3.6168 -3.5852 -3.5852 -1.5445 -1.5445 -1.5404 -1.5404 2.5873 2.5873 2.6634 2.6634 k =-0.5000 0.1028 0.2126 ( 7804 PWs) bands (ev): -20.8343 -20.8343 -20.8166 -20.8166 -19.8606 -19.8606 -19.8362 -19.8362 -8.5306 -8.5306 -8.4599 -8.4599 -8.2414 -8.2414 -8.2368 -8.2368 -7.0240 -7.0240 -7.0154 -7.0154 -6.2158 -6.2158 -6.2117 -6.2117 -6.0693 -6.0693 -6.0654 -6.0654 -5.5146 -5.5146 -5.4765 -5.4765 -4.8636 -4.8636 -4.7964 -4.7964 -4.3288 -4.3288 -4.2776 -4.2776 -4.2647 -4.2647 -4.0870 -4.0870 -3.6219 -3.6219 -3.5803 -3.5803 -1.5451 -1.5451 -1.5398 -1.5398 2.5566 2.5566 2.6478 2.6478 k =-0.5000 0.1028 0.1913 ( 7794 PWs) bands (ev): -20.8362 -20.8362 -20.8145 -20.8145 -19.8634 -19.8634 -19.8335 -19.8335 -8.5386 -8.5386 -8.4519 -8.4519 -8.2417 -8.2417 -8.2360 -8.2360 -7.0250 -7.0250 -7.0143 -7.0143 -6.2162 -6.2162 -6.2112 -6.2112 -6.0697 -6.0697 -6.0649 -6.0649 -5.5189 -5.5189 -5.4722 -5.4722 -4.8687 -4.8687 -4.7843 -4.7843 -4.3567 -4.3567 -4.2780 -4.2780 -4.2670 -4.2670 -4.0637 -4.0637 -3.6267 -3.6267 -3.5757 -3.5757 -1.5457 -1.5457 -1.5392 -1.5392 2.5280 2.5280 2.6334 2.6334 k =-0.5000 0.1028 0.1701 ( 7788 PWs) bands (ev): -20.8380 -20.8380 -20.8126 -20.8126 -19.8660 -19.8660 -19.8310 -19.8310 -8.5460 -8.5460 -8.4445 -8.4445 -8.2420 -8.2420 -8.2352 -8.2352 -7.0259 -7.0259 -7.0134 -7.0134 -6.2166 -6.2166 -6.2107 -6.2107 -6.0701 -6.0701 -6.0644 -6.0644 -5.5228 -5.5228 -5.4681 -5.4681 -4.8732 -4.8732 -4.7711 -4.7711 -4.3857 -4.3857 -4.2784 -4.2784 -4.2678 -4.2678 -4.0421 -4.0421 -3.6311 -3.6311 -3.5714 -3.5714 -1.5463 -1.5463 -1.5386 -1.5386 2.5018 2.5018 2.6202 2.6202 k =-0.5000 0.1028 0.1488 ( 7780 PWs) bands (ev): -20.8396 -20.8396 -20.8108 -20.8108 -19.8684 -19.8684 -19.8287 -19.8287 -8.5527 -8.5527 -8.4378 -8.4378 -8.2422 -8.2422 -8.2345 -8.2345 -7.0267 -7.0267 -7.0125 -7.0125 -6.2170 -6.2170 -6.2102 -6.2102 -6.0704 -6.0704 -6.0640 -6.0640 -5.5264 -5.5264 -5.4643 -5.4643 -4.8771 -4.8771 -4.7571 -4.7571 -4.4148 -4.4148 -4.2789 -4.2789 -4.2680 -4.2680 -4.0226 -4.0226 -3.6352 -3.6352 -3.5674 -3.5674 -1.5468 -1.5468 -1.5381 -1.5381 2.4781 2.4781 2.6085 2.6085 k =-0.5000 0.1028 0.1276 ( 7784 PWs) bands (ev): -20.8411 -20.8411 -20.8092 -20.8092 -19.8706 -19.8706 -19.8267 -19.8267 -8.5588 -8.5588 -8.4318 -8.4318 -8.2424 -8.2424 -8.2337 -8.2337 -7.0274 -7.0274 -7.0118 -7.0118 -6.2173 -6.2173 -6.2098 -6.2098 -6.0707 -6.0707 -6.0636 -6.0636 -5.5296 -5.5296 -5.4610 -5.4610 -4.8805 -4.8805 -4.7422 -4.7422 -4.4433 -4.4433 -4.2793 -4.2793 -4.2679 -4.2679 -4.0054 -4.0054 -3.6389 -3.6389 -3.5640 -3.5640 -1.5472 -1.5472 -1.5376 -1.5376 2.4572 2.4572 2.5982 2.5982 k =-0.5000 0.1028 0.1063 ( 7780 PWs) bands (ev): -20.8424 -20.8424 -20.8078 -20.8078 -19.8724 -19.8724 -19.8249 -19.8249 -8.5640 -8.5640 -8.4265 -8.4265 -8.2426 -8.2426 -8.2330 -8.2330 -7.0280 -7.0280 -7.0111 -7.0111 -6.2176 -6.2176 -6.2095 -6.2095 -6.0709 -6.0709 -6.0632 -6.0632 -5.5324 -5.5324 -5.4580 -5.4580 -4.8833 -4.8833 -4.7265 -4.7265 -4.4710 -4.4710 -4.2797 -4.2797 -4.2678 -4.2678 -3.9904 -3.9904 -3.6421 -3.6421 -3.5609 -3.5609 -1.5476 -1.5476 -1.5372 -1.5372 2.4393 2.4393 2.5894 2.5894 k =-0.5000 0.1028 0.0850 ( 7780 PWs) bands (ev): -20.8434 -20.8434 -20.8067 -20.8067 -19.8740 -19.8740 -19.8234 -19.8234 -8.5684 -8.5684 -8.4222 -8.4222 -8.2427 -8.2427 -8.2325 -8.2325 -7.0286 -7.0286 -7.0105 -7.0105 -6.2178 -6.2178 -6.2092 -6.2092 -6.0710 -6.0710 -6.0629 -6.0629 -5.5347 -5.5347 -5.4556 -5.4556 -4.8855 -4.8855 -4.7102 -4.7102 -4.4973 -4.4973 -4.2800 -4.2800 -4.2677 -4.2677 -3.9780 -3.9780 -3.6448 -3.6448 -3.5584 -3.5584 -1.5480 -1.5480 -1.5369 -1.5369 2.4243 2.4243 2.5822 2.5822 k =-0.5000 0.1028 0.0638 ( 7760 PWs) bands (ev): -20.8443 -20.8443 -20.8058 -20.8058 -19.8753 -19.8753 -19.8223 -19.8223 -8.5718 -8.5718 -8.4188 -8.4188 -8.2428 -8.2428 -8.2320 -8.2320 -7.0289 -7.0289 -7.0100 -7.0100 -6.2179 -6.2179 -6.2089 -6.2089 -6.0712 -6.0712 -6.0626 -6.0626 -5.5365 -5.5365 -5.4536 -5.4536 -4.8873 -4.8873 -4.6938 -4.6938 -4.5217 -4.5217 -4.2802 -4.2802 -4.2675 -4.2675 -3.9682 -3.9682 -3.6469 -3.6469 -3.5564 -3.5564 -1.5482 -1.5482 -1.5366 -1.5366 2.4126 2.4126 2.5765 2.5765 k =-0.5000 0.1028 0.0425 ( 7762 PWs) bands (ev): -20.8449 -20.8449 -20.8051 -20.8051 -19.8762 -19.8762 -19.8214 -19.8214 -8.5743 -8.5743 -8.4163 -8.4163 -8.2428 -8.2428 -8.2316 -8.2316 -7.0292 -7.0292 -7.0097 -7.0097 -6.2181 -6.2181 -6.2088 -6.2088 -6.0713 -6.0713 -6.0625 -6.0625 -5.5379 -5.5379 -5.4522 -5.4522 -4.8885 -4.8885 -4.6784 -4.6784 -4.5430 -4.5430 -4.2804 -4.2804 -4.2674 -4.2674 -3.9612 -3.9612 -3.6485 -3.6485 -3.5550 -3.5550 -1.5484 -1.5484 -1.5364 -1.5364 2.4042 2.4042 2.5724 2.5724 k =-0.5000 0.1028 0.0213 ( 7764 PWs) bands (ev): -20.8452 -20.8452 -20.8047 -20.8047 -19.8767 -19.8767 -19.8209 -19.8209 -8.5758 -8.5758 -8.4149 -8.4149 -8.2429 -8.2429 -8.2314 -8.2314 -7.0294 -7.0294 -7.0095 -7.0095 -6.2181 -6.2181 -6.2087 -6.2087 -6.0713 -6.0713 -6.0624 -6.0624 -5.5387 -5.5387 -5.4514 -5.4514 -4.8893 -4.8893 -4.6661 -4.6661 -4.5587 -4.5587 -4.2805 -4.2805 -4.2673 -4.2673 -3.9569 -3.9569 -3.6494 -3.6494 -3.5541 -3.5541 -1.5485 -1.5485 -1.5363 -1.5363 2.3991 2.3991 2.5700 2.5700 k =-0.5000 0.1028 0.0000 ( 7762 PWs) bands (ev): -20.8453 -20.8453 -20.8046 -20.8046 -19.8769 -19.8769 -19.8207 -19.8207 -8.5763 -8.5763 -8.4144 -8.4144 -8.2429 -8.2429 -8.2313 -8.2313 -7.0295 -7.0295 -7.0094 -7.0094 -6.2182 -6.2182 -6.2086 -6.2086 -6.0713 -6.0713 -6.0623 -6.0623 -5.5389 -5.5389 -5.4511 -5.4511 -4.8895 -4.8895 -4.6611 -4.6611 -4.5649 -4.5649 -4.2806 -4.2806 -4.2673 -4.2673 -3.9555 -3.9555 -3.6497 -3.6497 -3.5538 -3.5538 -1.5486 -1.5486 -1.5362 -1.5362 2.3974 2.3974 2.5691 2.5691 k = 0.0000 0.0000 0.2976 ( 7752 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -19.8483 -19.8483 -19.8483 -19.8483 -8.4953 -8.4953 -8.4953 -8.4953 -8.2394 -8.2394 -8.2394 -8.2394 -7.0188 -7.0188 -7.0188 -7.0188 -6.2152 -6.2152 -6.2152 -6.2152 -6.0678 -6.0678 -6.0678 -6.0678 -5.4830 -5.4830 -5.4830 -5.4830 -4.8396 -4.8396 -4.8394 -4.8394 -4.2800 -4.2800 -4.2800 -4.2800 -4.1940 -4.1940 -4.1938 -4.1938 -3.5974 -3.5974 -3.5974 -3.5974 -1.5424 -1.5424 -1.5424 -1.5424 1.8882 1.8882 1.8883 1.8883 k =-0.0208 0.0043 0.2976 ( 7752 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -19.8483 -19.8483 -19.8483 -19.8483 -8.4953 -8.4953 -8.4953 -8.4953 -8.2394 -8.2394 -8.2394 -8.2394 -7.0188 -7.0188 -7.0188 -7.0188 -6.2152 -6.2152 -6.2152 -6.2152 -6.0677 -6.0677 -6.0677 -6.0677 -5.4831 -5.4831 -5.4830 -5.4830 -4.8396 -4.8396 -4.8394 -4.8394 -4.2800 -4.2800 -4.2800 -4.2800 -4.1940 -4.1940 -4.1938 -4.1938 -3.5974 -3.5974 -3.5974 -3.5974 -1.5424 -1.5424 -1.5424 -1.5424 1.8897 1.8897 1.8898 1.8898 k =-0.0417 0.0086 0.2976 ( 7744 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -19.8483 -19.8483 -19.8483 -19.8483 -8.4953 -8.4953 -8.4953 -8.4953 -8.2394 -8.2394 -8.2394 -8.2394 -7.0188 -7.0188 -7.0188 -7.0188 -6.2152 -6.2152 -6.2152 -6.2152 -6.0677 -6.0677 -6.0677 -6.0677 -5.4832 -5.4832 -5.4832 -5.4832 -4.8396 -4.8396 -4.8394 -4.8394 -4.2800 -4.2800 -4.2800 -4.2800 -4.1940 -4.1940 -4.1938 -4.1938 -3.5975 -3.5975 -3.5974 -3.5974 -1.5424 -1.5424 -1.5424 -1.5424 1.8944 1.8944 1.8944 1.8944 k =-0.0625 0.0129 0.2976 ( 7738 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -19.8483 -19.8483 -19.8483 -19.8483 -8.4953 -8.4953 -8.4953 -8.4953 -8.2394 -8.2394 -8.2394 -8.2394 -7.0188 -7.0188 -7.0188 -7.0188 -6.2151 -6.2151 -6.2151 -6.2151 -6.0677 -6.0677 -6.0677 -6.0677 -5.4835 -5.4835 -5.4835 -5.4835 -4.8395 -4.8395 -4.8393 -4.8393 -4.2800 -4.2800 -4.2800 -4.2800 -4.1940 -4.1940 -4.1937 -4.1937 -3.5975 -3.5975 -3.5975 -3.5975 -1.5424 -1.5424 -1.5424 -1.5424 1.9020 1.9020 1.9021 1.9021 k =-0.0833 0.0171 0.2976 ( 7740 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -19.8483 -19.8483 -19.8483 -19.8483 -8.4953 -8.4953 -8.4953 -8.4953 -8.2394 -8.2394 -8.2394 -8.2394 -7.0189 -7.0189 -7.0189 -7.0189 -6.2151 -6.2151 -6.2151 -6.2151 -6.0677 -6.0677 -6.0677 -6.0677 -5.4838 -5.4838 -5.4838 -5.4838 -4.8394 -4.8394 -4.8392 -4.8392 -4.2800 -4.2800 -4.2800 -4.2800 -4.1939 -4.1939 -4.1937 -4.1937 -3.5976 -3.5976 -3.5976 -3.5976 -1.5424 -1.5424 -1.5424 -1.5424 1.9128 1.9128 1.9128 1.9128 k =-0.1042 0.0214 0.2976 ( 7752 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -19.8483 -19.8483 -19.8483 -19.8483 -8.4953 -8.4953 -8.4953 -8.4953 -8.2394 -8.2394 -8.2394 -8.2394 -7.0189 -7.0189 -7.0189 -7.0189 -6.2151 -6.2151 -6.2151 -6.2151 -6.0677 -6.0677 -6.0677 -6.0677 -5.4843 -5.4843 -5.4843 -5.4843 -4.8393 -4.8393 -4.8391 -4.8391 -4.2800 -4.2800 -4.2800 -4.2800 -4.1939 -4.1939 -4.1937 -4.1937 -3.5977 -3.5977 -3.5977 -3.5977 -1.5424 -1.5424 -1.5424 -1.5424 1.9265 1.9265 1.9266 1.9266 k =-0.1250 0.0257 0.2976 ( 7750 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -19.8483 -19.8483 -19.8483 -19.8483 -8.4953 -8.4953 -8.4953 -8.4953 -8.2394 -8.2394 -8.2394 -8.2394 -7.0190 -7.0190 -7.0189 -7.0189 -6.2150 -6.2150 -6.2150 -6.2150 -6.0677 -6.0677 -6.0677 -6.0677 -5.4849 -5.4849 -5.4849 -5.4849 -4.8392 -4.8392 -4.8390 -4.8390 -4.2800 -4.2800 -4.2800 -4.2800 -4.1938 -4.1938 -4.1936 -4.1936 -3.5979 -3.5979 -3.5979 -3.5979 -1.5424 -1.5424 -1.5424 -1.5424 1.9433 1.9433 1.9434 1.9434 k =-0.1458 0.0300 0.2976 ( 7748 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -19.8483 -19.8483 -19.8483 -19.8483 -8.4953 -8.4953 -8.4953 -8.4953 -8.2394 -8.2394 -8.2394 -8.2394 -7.0190 -7.0190 -7.0190 -7.0190 -6.2149 -6.2149 -6.2149 -6.2149 -6.0676 -6.0676 -6.0676 -6.0676 -5.4855 -5.4855 -5.4855 -5.4855 -4.8390 -4.8390 -4.8388 -4.8388 -4.2800 -4.2800 -4.2799 -4.2799 -4.1938 -4.1938 -4.1936 -4.1936 -3.5981 -3.5981 -3.5980 -3.5980 -1.5424 -1.5424 -1.5424 -1.5424 1.9631 1.9631 1.9631 1.9631 k =-0.1667 0.0343 0.2976 ( 7744 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -19.8483 -19.8483 -19.8483 -19.8483 -8.4953 -8.4953 -8.4953 -8.4953 -8.2394 -8.2394 -8.2394 -8.2394 -7.0190 -7.0190 -7.0190 -7.0190 -6.2148 -6.2148 -6.2148 -6.2148 -6.0676 -6.0676 -6.0676 -6.0676 -5.4862 -5.4862 -5.4862 -5.4862 -4.8388 -4.8388 -4.8386 -4.8386 -4.2800 -4.2800 -4.2799 -4.2799 -4.1937 -4.1937 -4.1935 -4.1935 -3.5982 -3.5982 -3.5982 -3.5982 -1.5424 -1.5424 -1.5424 -1.5424 1.9858 1.9858 1.9858 1.9858 k =-0.1875 0.0386 0.2976 ( 7744 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -19.8483 -19.8483 -19.8483 -19.8483 -8.4953 -8.4953 -8.4953 -8.4953 -8.2394 -8.2394 -8.2394 -8.2394 -7.0191 -7.0191 -7.0191 -7.0191 -6.2148 -6.2148 -6.2148 -6.2148 -6.0676 -6.0676 -6.0676 -6.0676 -5.4869 -5.4869 -5.4869 -5.4869 -4.8386 -4.8386 -4.8384 -4.8384 -4.2800 -4.2800 -4.2799 -4.2799 -4.1937 -4.1937 -4.1934 -4.1934 -3.5985 -3.5985 -3.5984 -3.5984 -1.5424 -1.5424 -1.5424 -1.5424 2.0114 2.0114 2.0114 2.0114 k =-0.2083 0.0428 0.2976 ( 7754 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -19.8483 -19.8483 -19.8483 -19.8483 -8.4953 -8.4953 -8.4953 -8.4953 -8.2394 -8.2394 -8.2394 -8.2394 -7.0192 -7.0192 -7.0191 -7.0191 -6.2147 -6.2147 -6.2147 -6.2147 -6.0676 -6.0676 -6.0676 -6.0676 -5.4877 -5.4877 -5.4877 -5.4877 -4.8384 -4.8384 -4.8382 -4.8382 -4.2800 -4.2800 -4.2799 -4.2799 -4.1936 -4.1936 -4.1934 -4.1934 -3.5987 -3.5987 -3.5987 -3.5987 -1.5424 -1.5424 -1.5424 -1.5424 2.0398 2.0398 2.0399 2.0399 k =-0.2292 0.0471 0.2976 ( 7752 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -19.8483 -19.8483 -19.8483 -19.8483 -8.4953 -8.4953 -8.4953 -8.4953 -8.2394 -8.2394 -8.2394 -8.2394 -7.0192 -7.0192 -7.0192 -7.0192 -6.2146 -6.2146 -6.2146 -6.2146 -6.0676 -6.0676 -6.0676 -6.0676 -5.4885 -5.4885 -5.4885 -5.4885 -4.8382 -4.8382 -4.8380 -4.8380 -4.2800 -4.2800 -4.2799 -4.2799 -4.1935 -4.1935 -4.1933 -4.1933 -3.5989 -3.5989 -3.5989 -3.5989 -1.5424 -1.5424 -1.5424 -1.5424 2.0711 2.0711 2.0712 2.0712 k =-0.2500 0.0514 0.2976 ( 7750 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -19.8483 -19.8483 -19.8483 -19.8483 -8.4953 -8.4953 -8.4953 -8.4953 -8.2394 -8.2394 -8.2394 -8.2394 -7.0192 -7.0192 -7.0192 -7.0192 -6.2145 -6.2145 -6.2145 -6.2145 -6.0676 -6.0676 -6.0675 -6.0675 -5.4894 -5.4894 -5.4894 -5.4894 -4.8380 -4.8380 -4.8378 -4.8378 -4.2799 -4.2799 -4.2799 -4.2799 -4.1934 -4.1934 -4.1932 -4.1932 -3.5991 -3.5991 -3.5991 -3.5991 -1.5424 -1.5424 -1.5424 -1.5424 2.1051 2.1051 2.1052 2.1052 k =-0.2708 0.0557 0.2976 ( 7776 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -19.8483 -19.8483 -19.8483 -19.8483 -8.4953 -8.4953 -8.4953 -8.4953 -8.2395 -8.2395 -8.2395 -8.2395 -7.0193 -7.0193 -7.0193 -7.0193 -6.2144 -6.2144 -6.2144 -6.2144 -6.0676 -6.0676 -6.0676 -6.0676 -5.4902 -5.4902 -5.4902 -5.4902 -4.8378 -4.8378 -4.8376 -4.8376 -4.2799 -4.2799 -4.2799 -4.2799 -4.1934 -4.1934 -4.1932 -4.1932 -3.5994 -3.5994 -3.5994 -3.5994 -1.5425 -1.5425 -1.5425 -1.5425 2.1418 2.1418 2.1419 2.1419 k =-0.2917 0.0600 0.2976 ( 7784 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -19.8483 -19.8483 -19.8483 -19.8483 -8.4953 -8.4953 -8.4953 -8.4953 -8.2395 -8.2395 -8.2395 -8.2395 -7.0194 -7.0194 -7.0194 -7.0194 -6.2143 -6.2143 -6.2143 -6.2143 -6.0676 -6.0676 -6.0676 -6.0676 -5.4910 -5.4910 -5.4910 -5.4910 -4.8376 -4.8376 -4.8374 -4.8374 -4.2799 -4.2799 -4.2799 -4.2799 -4.1933 -4.1933 -4.1931 -4.1931 -3.5996 -3.5996 -3.5996 -3.5996 -1.5425 -1.5425 -1.5425 -1.5425 2.1812 2.1812 2.1813 2.1813 k =-0.3125 0.0643 0.2976 ( 7786 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -19.8483 -19.8483 -19.8483 -19.8483 -8.4953 -8.4953 -8.4953 -8.4953 -8.2395 -8.2395 -8.2395 -8.2395 -7.0194 -7.0194 -7.0194 -7.0194 -6.2143 -6.2143 -6.2143 -6.2143 -6.0676 -6.0676 -6.0676 -6.0676 -5.4918 -5.4918 -5.4918 -5.4918 -4.8374 -4.8374 -4.8372 -4.8372 -4.2799 -4.2799 -4.2799 -4.2799 -4.1933 -4.1933 -4.1930 -4.1930 -3.5998 -3.5998 -3.5998 -3.5998 -1.5425 -1.5425 -1.5425 -1.5425 2.2231 2.2231 2.2232 2.2232 k =-0.3333 0.0686 0.2976 ( 7788 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -19.8483 -19.8483 -19.8483 -19.8483 -8.4953 -8.4953 -8.4953 -8.4953 -8.2395 -8.2395 -8.2395 -8.2395 -7.0195 -7.0195 -7.0195 -7.0195 -6.2142 -6.2142 -6.2142 -6.2142 -6.0676 -6.0676 -6.0676 -6.0676 -5.4926 -5.4926 -5.4925 -5.4925 -4.8372 -4.8372 -4.8370 -4.8370 -4.2799 -4.2799 -4.2799 -4.2799 -4.1932 -4.1932 -4.1930 -4.1930 -3.6000 -3.6000 -3.6000 -3.6000 -1.5425 -1.5425 -1.5425 -1.5425 2.2675 2.2675 2.2676 2.2676 k =-0.3542 0.0728 0.2976 ( 7792 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -19.8483 -19.8483 -19.8483 -19.8483 -8.4953 -8.4953 -8.4953 -8.4953 -8.2395 -8.2395 -8.2395 -8.2395 -7.0195 -7.0195 -7.0195 -7.0195 -6.2141 -6.2141 -6.2141 -6.2141 -6.0676 -6.0676 -6.0676 -6.0676 -5.4932 -5.4932 -5.4932 -5.4932 -4.8371 -4.8371 -4.8369 -4.8369 -4.2799 -4.2799 -4.2799 -4.2799 -4.1931 -4.1931 -4.1929 -4.1929 -3.6002 -3.6002 -3.6002 -3.6002 -1.5425 -1.5425 -1.5425 -1.5425 2.3143 2.3143 2.3144 2.3144 k =-0.3750 0.0771 0.2976 ( 7794 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -19.8483 -19.8483 -19.8483 -19.8483 -8.4953 -8.4953 -8.4953 -8.4953 -8.2395 -8.2395 -8.2395 -8.2395 -7.0196 -7.0196 -7.0196 -7.0196 -6.2140 -6.2140 -6.2140 -6.2140 -6.0675 -6.0675 -6.0675 -6.0675 -5.4939 -5.4939 -5.4939 -5.4939 -4.8369 -4.8369 -4.8367 -4.8367 -4.2799 -4.2799 -4.2799 -4.2799 -4.1931 -4.1931 -4.1929 -4.1929 -3.6004 -3.6004 -3.6004 -3.6004 -1.5425 -1.5425 -1.5425 -1.5425 2.3635 2.3635 2.3636 2.3636 k =-0.3958 0.0814 0.2976 ( 7802 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -19.8483 -19.8483 -19.8483 -19.8483 -8.4953 -8.4953 -8.4953 -8.4953 -8.2395 -8.2395 -8.2395 -8.2395 -7.0196 -7.0196 -7.0196 -7.0196 -6.2140 -6.2140 -6.2140 -6.2140 -6.0675 -6.0675 -6.0675 -6.0675 -5.4944 -5.4944 -5.4944 -5.4944 -4.8368 -4.8368 -4.8366 -4.8366 -4.2799 -4.2799 -4.2799 -4.2799 -4.1930 -4.1930 -4.1928 -4.1928 -3.6005 -3.6005 -3.6005 -3.6005 -1.5425 -1.5425 -1.5425 -1.5425 2.4149 2.4149 2.4149 2.4149 k =-0.4167 0.0857 0.2976 ( 7808 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -19.8483 -19.8483 -19.8483 -19.8483 -8.4953 -8.4953 -8.4953 -8.4953 -8.2395 -8.2395 -8.2395 -8.2395 -7.0197 -7.0197 -7.0197 -7.0197 -6.2139 -6.2139 -6.2139 -6.2139 -6.0675 -6.0675 -6.0675 -6.0675 -5.4949 -5.4949 -5.4949 -5.4949 -4.8366 -4.8366 -4.8364 -4.8364 -4.2799 -4.2799 -4.2799 -4.2799 -4.1930 -4.1930 -4.1928 -4.1928 -3.6007 -3.6007 -3.6007 -3.6007 -1.5425 -1.5425 -1.5425 -1.5425 2.4684 2.4684 2.4685 2.4685 k =-0.4375 0.0900 0.2976 ( 7806 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -19.8483 -19.8483 -19.8483 -19.8483 -8.4953 -8.4953 -8.4953 -8.4953 -8.2395 -8.2395 -8.2395 -8.2395 -7.0197 -7.0197 -7.0197 -7.0197 -6.2139 -6.2139 -6.2139 -6.2139 -6.0675 -6.0675 -6.0675 -6.0675 -5.4952 -5.4952 -5.4952 -5.4952 -4.8366 -4.8366 -4.8364 -4.8364 -4.2799 -4.2799 -4.2799 -4.2799 -4.1930 -4.1930 -4.1928 -4.1928 -3.6008 -3.6008 -3.6008 -3.6008 -1.5425 -1.5425 -1.5425 -1.5425 2.5239 2.5239 2.5240 2.5240 k =-0.4583 0.0943 0.2976 ( 7810 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -19.8483 -19.8483 -19.8483 -19.8483 -8.4953 -8.4953 -8.4953 -8.4953 -8.2395 -8.2395 -8.2395 -8.2395 -7.0197 -7.0197 -7.0197 -7.0197 -6.2139 -6.2139 -6.2138 -6.2138 -6.0675 -6.0675 -6.0675 -6.0675 -5.4955 -5.4955 -5.4955 -5.4955 -4.8365 -4.8365 -4.8363 -4.8363 -4.2799 -4.2799 -4.2799 -4.2799 -4.1929 -4.1929 -4.1927 -4.1927 -3.6009 -3.6009 -3.6008 -3.6008 -1.5425 -1.5425 -1.5425 -1.5425 2.5813 2.5813 2.5814 2.5814 k =-0.4792 0.0985 0.2976 ( 7808 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -19.8483 -19.8483 -19.8483 -19.8483 -8.4953 -8.4953 -8.4953 -8.4953 -8.2395 -8.2395 -8.2395 -8.2395 -7.0197 -7.0197 -7.0197 -7.0197 -6.2138 -6.2138 -6.2138 -6.2138 -6.0675 -6.0675 -6.0675 -6.0675 -5.4957 -5.4957 -5.4957 -5.4957 -4.8364 -4.8364 -4.8363 -4.8363 -4.2799 -4.2799 -4.2799 -4.2799 -4.1929 -4.1929 -4.1927 -4.1927 -3.6009 -3.6009 -3.6009 -3.6009 -1.5425 -1.5425 -1.5425 -1.5425 2.6401 2.6401 2.6401 2.6401 k =-0.5000 0.1028 0.2976 ( 7816 PWs) bands (ev): -20.8255 -20.8255 -20.8255 -20.8255 -19.8483 -19.8483 -19.8483 -19.8483 -8.4953 -8.4953 -8.4953 -8.4953 -8.2395 -8.2395 -8.2395 -8.2395 -7.0197 -7.0197 -7.0197 -7.0197 -6.2139 -6.2139 -6.2139 -6.2139 -6.0675 -6.0675 -6.0675 -6.0675 -5.4957 -5.4957 -5.4957 -5.4957 -4.8364 -4.8364 -4.8362 -4.8362 -4.2799 -4.2799 -4.2799 -4.2799 -4.1929 -4.1929 -4.1927 -4.1927 -3.6009 -3.6009 -3.6009 -3.6009 -1.5425 -1.5425 -1.5425 -1.5425 2.6892 2.6892 2.6892 2.6892 Writing output data file CuO2.save init_run : 0.62s CPU 0.79s WALL ( 1 calls) electrons : 415.61s CPU 419.72s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.12s WALL ( 1 calls) Called by electrons: c_bands : 415.60s CPU 419.71s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.04s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 370 calls) cegterg : 382.82s CPU 386.07s WALL ( 686 calls) Called by sum_band: Called by *egterg: h_psi : 247.94s CPU 251.46s WALL ( 11677 calls) s_psi : 4.96s CPU 4.78s WALL ( 11677 calls) g_psi : 0.28s CPU 0.27s WALL ( 10621 calls) cdiaghg : 129.22s CPU 129.52s WALL ( 10991 calls) cegterg:over : 11.32s CPU 11.48s WALL ( 10621 calls) cegterg:upda : 8.36s CPU 8.42s WALL ( 10621 calls) cegterg:last : 4.38s CPU 4.44s WALL ( 1426 calls) cdiaghg:chol : 5.05s CPU 4.99s WALL ( 10991 calls) cdiaghg:inve : 2.24s CPU 2.28s WALL ( 10991 calls) cdiaghg:para : 7.45s CPU 7.52s WALL ( 21982 calls) Called by h_psi: h_psi:vloc : 235.23s CPU 238.27s WALL ( 11677 calls) h_psi:vnl : 12.45s CPU 12.91s WALL ( 11677 calls) add_vuspsi : 5.56s CPU 5.84s WALL ( 11677 calls) General routines calbec : 6.83s CPU 7.04s WALL ( 11677 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 224.50s CPU 227.33s WALL ( 969196 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.24s CPU 0.35s WALL ( 740 calls) Parallel routines fft_scatter : 114.63s CPU 116.42s WALL ( 969219 calls) PWSCF : 7m42.10s CPU 8m 5.25s WALL This run was terminated on: 17: 1: 9 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=