Program PWSCF v.5.1.1 starts on 23Jul2015 at 11:17:23 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./CaZn.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 39 26 7 1175 628 99 Max 40 27 8 1182 655 106 Sum 1895 1275 373 56527 30739 4943 bravais-lattice index = 14 lattice parameter (alat) = 11.6662 a.u. unit-cell volume = 731.1952 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 276.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.666242 celldm(2)= 1.000000 celldm(3)= 0.719526 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.768358 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.768358 0.640021 0.000000 ) a(3) = ( 0.000000 0.000000 0.719526 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.200520 -0.000000 ) b(2) = ( 0.000000 1.562450 -0.000000 ) b(3) = ( 0.000000 0.000000 1.389804 ) PseudoPot. # 1 for Ca read from file: /home/autes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Zn read from file: /home/autes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 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 Ca 10.00 40.07800 Ca( 1.00) Zn 12.00 65.40900 Zn( 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: E 1 i 2 -E -1 -i -2 Cartesian axes number of k points= 394 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025381 k( 2) = ( 0.0065755 0.0181680 -0.0000000), wk = 0.0025381 k( 3) = ( 0.0131511 0.0363360 -0.0000000), wk = 0.0025381 k( 4) = ( 0.0197266 0.0545041 -0.0000000), wk = 0.0025381 k( 5) = ( 0.0263022 0.0726721 -0.0000000), wk = 0.0025381 k( 6) = ( 0.0328777 0.0908401 -0.0000000), wk = 0.0025381 k( 7) = ( 0.0394532 0.1090081 -0.0000000), wk = 0.0025381 k( 8) = ( 0.0460288 0.1271761 -0.0000000), wk = 0.0025381 k( 9) = ( 0.0526043 0.1453442 -0.0000000), wk = 0.0025381 k( 10) = ( 0.0591799 0.1635122 -0.0000000), wk = 0.0025381 k( 11) = ( 0.0657554 0.1816802 -0.0000000), wk = 0.0025381 k( 12) = ( 0.0723309 0.1998482 -0.0000000), wk = 0.0025381 k( 13) = ( 0.0789065 0.2180162 -0.0000000), wk = 0.0025381 k( 14) = ( 0.0854820 0.2361843 -0.0000000), wk = 0.0025381 k( 15) = ( 0.0920576 0.2543523 -0.0000000), wk = 0.0025381 k( 16) = ( 0.0986331 0.2725203 -0.0000000), wk = 0.0025381 k( 17) = ( 0.1052086 0.2906883 -0.0000000), wk = 0.0025381 k( 18) = ( 0.1117842 0.3088563 -0.0000000), wk = 0.0025381 k( 19) = ( 0.1183597 0.3270244 -0.0000000), wk = 0.0025381 k( 20) = ( 0.1249353 0.3451924 -0.0000000), wk = 0.0025381 k( 21) = ( 0.1315108 0.3633604 -0.0000000), wk = 0.0025381 k( 22) = ( 0.1380863 0.3815284 -0.0000000), wk = 0.0025381 k( 23) = ( 0.1446619 0.3996964 -0.0000000), wk = 0.0025381 k( 24) = ( 0.1512374 0.4178645 -0.0000000), wk = 0.0025381 k( 25) = ( 0.1578130 0.4360325 -0.0000000), wk = 0.0025381 k( 26) = ( 0.1643885 0.4542005 -0.0000000), wk = 0.0025381 k( 27) = ( 0.1709640 0.4723685 -0.0000000), wk = 0.0025381 k( 28) = ( 0.1775396 0.4905365 -0.0000000), wk = 0.0025381 k( 29) = ( 0.1841151 0.5087046 -0.0000000), wk = 0.0025381 k( 30) = ( 0.1906907 0.5268726 -0.0000000), wk = 0.0025381 k( 31) = ( 0.1972662 0.5450406 -0.0000000), wk = 0.0025381 k( 32) = ( 0.2038417 0.5632086 -0.0000000), wk = 0.0025381 k( 33) = ( 0.2104173 0.5813766 -0.0000000), wk = 0.0025381 k( 34) = ( 0.2169928 0.5995447 -0.0000000), wk = 0.0025381 k( 35) = ( 0.2235684 0.6177127 -0.0000000), wk = 0.0025381 k( 36) = ( 0.2301439 0.6358807 -0.0000000), wk = 0.0025381 k( 37) = ( 0.2367194 0.6540487 -0.0000000), wk = 0.0025381 k( 38) = ( 0.2432950 0.6722167 -0.0000000), wk = 0.0025381 k( 39) = ( 0.2498705 0.6903848 -0.0000000), wk = 0.0025381 k( 40) = ( 0.2564461 0.7085528 -0.0000000), wk = 0.0025381 k( 41) = ( 0.2630216 0.7267208 -0.0000000), wk = 0.0025381 k( 42) = ( 0.2695971 0.7448888 -0.0000000), wk = 0.0025381 k( 43) = ( 0.2761727 0.7630568 -0.0000000), wk = 0.0025381 k( 44) = ( 0.2827482 0.7812249 -0.0000000), wk = 0.0025381 k( 45) = ( 0.2827482 0.7812249 -0.0000000), wk = 0.0025381 k( 46) = ( 0.2638983 0.7812249 -0.0000000), wk = 0.0025381 k( 47) = ( 0.2450485 0.7812248 -0.0000000), wk = 0.0025381 k( 48) = ( 0.2261986 0.7812248 -0.0000000), wk = 0.0025381 k( 49) = ( 0.2073487 0.7812248 -0.0000000), wk = 0.0025381 k( 50) = ( 0.1884988 0.7812248 -0.0000000), wk = 0.0025381 k( 51) = ( 0.1696489 0.7812248 -0.0000000), wk = 0.0025381 k( 52) = ( 0.1507990 0.7812248 -0.0000000), wk = 0.0025381 k( 53) = ( 0.1319492 0.7812248 -0.0000000), wk = 0.0025381 k( 54) = ( 0.1130993 0.7812249 -0.0000000), wk = 0.0025381 k( 55) = ( 0.0942494 0.7812249 -0.0000000), wk = 0.0025381 k( 56) = ( 0.0753995 0.7812248 -0.0000000), wk = 0.0025381 k( 57) = ( 0.0565496 0.7812248 -0.0000000), wk = 0.0025381 k( 58) = ( 0.0376998 0.7812249 -0.0000000), wk = 0.0025381 k( 59) = ( 0.0188499 0.7812248 -0.0000000), wk = 0.0025381 k( 60) = ( 0.0000000 0.7812248 -0.0000000), wk = 0.0025381 k( 61) = ( 0.0000000 0.7812248 -0.0000000), wk = 0.0025381 k( 62) = ( 0.0000000 0.7812248 0.0193028), wk = 0.0025381 k( 63) = ( 0.0000000 0.7812248 0.0386057), wk = 0.0025381 k( 64) = ( 0.0000000 0.7812248 0.0579085), wk = 0.0025381 k( 65) = ( 0.0000000 0.7812248 0.0772113), wk = 0.0025381 k( 66) = ( 0.0000000 0.7812248 0.0965142), wk = 0.0025381 k( 67) = ( 0.0000000 0.7812248 0.1158170), wk = 0.0025381 k( 68) = ( 0.0000000 0.7812248 0.1351198), wk = 0.0025381 k( 69) = ( 0.0000000 0.7812248 0.1544227), wk = 0.0025381 k( 70) = ( 0.0000000 0.7812248 0.1737255), wk = 0.0025381 k( 71) = ( 0.0000000 0.7812248 0.1930284), wk = 0.0025381 k( 72) = ( 0.0000000 0.7812248 0.2123312), wk = 0.0025381 k( 73) = ( 0.0000000 0.7812248 0.2316340), wk = 0.0025381 k( 74) = ( 0.0000000 0.7812248 0.2509369), wk = 0.0025381 k( 75) = ( 0.0000000 0.7812248 0.2702397), wk = 0.0025381 k( 76) = ( 0.0000000 0.7812248 0.2895425), wk = 0.0025381 k( 77) = ( 0.0000000 0.7812248 0.3088454), wk = 0.0025381 k( 78) = ( 0.0000000 0.7812248 0.3281482), wk = 0.0025381 k( 79) = ( 0.0000000 0.7812248 0.3474510), wk = 0.0025381 k( 80) = ( 0.0000000 0.7812248 0.3667539), wk = 0.0025381 k( 81) = ( 0.0000000 0.7812248 0.3860567), wk = 0.0025381 k( 82) = ( 0.0000000 0.7812248 0.4053595), wk = 0.0025381 k( 83) = ( 0.0000000 0.7812248 0.4246624), wk = 0.0025381 k( 84) = ( 0.0000000 0.7812248 0.4439652), wk = 0.0025381 k( 85) = ( 0.0000000 0.7812248 0.4632680), wk = 0.0025381 k( 86) = ( 0.0000000 0.7812248 0.4825709), wk = 0.0025381 k( 87) = ( 0.0000000 0.7812248 0.5018737), wk = 0.0025381 k( 88) = ( 0.0000000 0.7812248 0.5211766), wk = 0.0025381 k( 89) = ( 0.0000000 0.7812248 0.5404794), wk = 0.0025381 k( 90) = ( 0.0000000 0.7812248 0.5597822), wk = 0.0025381 k( 91) = ( 0.0000000 0.7812248 0.5790851), wk = 0.0025381 k( 92) = ( 0.0000000 0.7812248 0.5983879), wk = 0.0025381 k( 93) = ( 0.0000000 0.7812248 0.6176907), wk = 0.0025381 k( 94) = ( 0.0000000 0.7812248 0.6369936), wk = 0.0025381 k( 95) = ( 0.0000000 0.7812248 0.6562964), wk = 0.0025381 k( 96) = ( 0.0000000 0.7812248 0.6755992), wk = 0.0025381 k( 97) = ( 0.0000000 0.7812248 0.6949021), wk = 0.0025381 k( 98) = ( 0.0000000 0.7812248 0.6949021), wk = 0.0025381 k( 99) = ( 0.0188499 0.7812248 0.6949021), wk = 0.0025381 k( 100) = ( 0.0376998 0.7812249 0.6949021), wk = 0.0025381 k( 101) = ( 0.0565496 0.7812248 0.6949021), wk = 0.0025381 k( 102) = ( 0.0753995 0.7812248 0.6949021), wk = 0.0025381 k( 103) = ( 0.0942494 0.7812249 0.6949021), wk = 0.0025381 k( 104) = ( 0.1130993 0.7812249 0.6949021), wk = 0.0025381 k( 105) = ( 0.1319492 0.7812248 0.6949021), wk = 0.0025381 k( 106) = ( 0.1507990 0.7812248 0.6949021), wk = 0.0025381 k( 107) = ( 0.1696489 0.7812248 0.6949021), wk = 0.0025381 k( 108) = ( 0.1884988 0.7812248 0.6949021), wk = 0.0025381 k( 109) = ( 0.2073487 0.7812248 0.6949021), wk = 0.0025381 k( 110) = ( 0.2261986 0.7812248 0.6949021), wk = 0.0025381 k( 111) = ( 0.2450485 0.7812248 0.6949021), wk = 0.0025381 k( 112) = ( 0.2638983 0.7812249 0.6949021), wk = 0.0025381 k( 113) = ( 0.2827482 0.7812249 0.6949021), wk = 0.0025381 k( 114) = ( 0.2827482 0.7812249 0.6949021), wk = 0.0025381 k( 115) = ( 0.2761727 0.7630568 0.6949021), wk = 0.0025381 k( 116) = ( 0.2695971 0.7448888 0.6949021), wk = 0.0025381 k( 117) = ( 0.2630216 0.7267208 0.6949021), wk = 0.0025381 k( 118) = ( 0.2564461 0.7085528 0.6949021), wk = 0.0025381 k( 119) = ( 0.2498705 0.6903848 0.6949021), wk = 0.0025381 k( 120) = ( 0.2432950 0.6722167 0.6949021), wk = 0.0025381 k( 121) = ( 0.2367194 0.6540487 0.6949021), wk = 0.0025381 k( 122) = ( 0.2301439 0.6358807 0.6949021), wk = 0.0025381 k( 123) = ( 0.2235684 0.6177127 0.6949021), wk = 0.0025381 k( 124) = ( 0.2169928 0.5995447 0.6949021), wk = 0.0025381 k( 125) = ( 0.2104173 0.5813766 0.6949021), wk = 0.0025381 k( 126) = ( 0.2038417 0.5632086 0.6949021), wk = 0.0025381 k( 127) = ( 0.1972662 0.5450406 0.6949021), wk = 0.0025381 k( 128) = ( 0.1906907 0.5268726 0.6949021), wk = 0.0025381 k( 129) = ( 0.1841151 0.5087046 0.6949021), wk = 0.0025381 k( 130) = ( 0.1775396 0.4905365 0.6949021), wk = 0.0025381 k( 131) = ( 0.1709640 0.4723685 0.6949021), wk = 0.0025381 k( 132) = ( 0.1643885 0.4542005 0.6949021), wk = 0.0025381 k( 133) = ( 0.1578130 0.4360325 0.6949021), wk = 0.0025381 k( 134) = ( 0.1512374 0.4178645 0.6949021), wk = 0.0025381 k( 135) = ( 0.1446619 0.3996964 0.6949021), wk = 0.0025381 k( 136) = ( 0.1380863 0.3815284 0.6949021), wk = 0.0025381 k( 137) = ( 0.1315108 0.3633604 0.6949021), wk = 0.0025381 k( 138) = ( 0.1249353 0.3451924 0.6949021), wk = 0.0025381 k( 139) = ( 0.1183597 0.3270244 0.6949021), wk = 0.0025381 k( 140) = ( 0.1117842 0.3088563 0.6949021), wk = 0.0025381 k( 141) = ( 0.1052086 0.2906883 0.6949021), wk = 0.0025381 k( 142) = ( 0.0986331 0.2725203 0.6949021), wk = 0.0025381 k( 143) = ( 0.0920576 0.2543523 0.6949021), wk = 0.0025381 k( 144) = ( 0.0854820 0.2361843 0.6949021), wk = 0.0025381 k( 145) = ( 0.0789065 0.2180162 0.6949021), wk = 0.0025381 k( 146) = ( 0.0723309 0.1998482 0.6949021), wk = 0.0025381 k( 147) = ( 0.0657554 0.1816802 0.6949021), wk = 0.0025381 k( 148) = ( 0.0591799 0.1635122 0.6949021), wk = 0.0025381 k( 149) = ( 0.0526043 0.1453442 0.6949021), wk = 0.0025381 k( 150) = ( 0.0460288 0.1271761 0.6949021), wk = 0.0025381 k( 151) = ( 0.0394532 0.1090081 0.6949021), wk = 0.0025381 k( 152) = ( 0.0328777 0.0908401 0.6949021), wk = 0.0025381 k( 153) = ( 0.0263022 0.0726721 0.6949021), wk = 0.0025381 k( 154) = ( 0.0197266 0.0545041 0.6949021), wk = 0.0025381 k( 155) = ( 0.0131511 0.0363360 0.6949021), wk = 0.0025381 k( 156) = ( 0.0065755 0.0181680 0.6949021), wk = 0.0025381 k( 157) = ( 0.0000000 0.0000000 0.6949021), wk = 0.0025381 k( 158) = ( 0.0000000 0.0000000 0.6949021), wk = 0.0025381 k( 159) = ( 0.0000000 0.0000000 0.6755992), wk = 0.0025381 k( 160) = ( 0.0000000 0.0000000 0.6562964), wk = 0.0025381 k( 161) = ( 0.0000000 0.0000000 0.6369936), wk = 0.0025381 k( 162) = ( 0.0000000 0.0000000 0.6176907), wk = 0.0025381 k( 163) = ( 0.0000000 0.0000000 0.5983879), wk = 0.0025381 k( 164) = ( 0.0000000 0.0000000 0.5790851), wk = 0.0025381 k( 165) = ( 0.0000000 0.0000000 0.5597822), wk = 0.0025381 k( 166) = ( 0.0000000 0.0000000 0.5404794), wk = 0.0025381 k( 167) = ( 0.0000000 0.0000000 0.5211766), wk = 0.0025381 k( 168) = ( 0.0000000 0.0000000 0.5018737), wk = 0.0025381 k( 169) = ( 0.0000000 0.0000000 0.4825709), wk = 0.0025381 k( 170) = ( 0.0000000 0.0000000 0.4632680), wk = 0.0025381 k( 171) = ( 0.0000000 0.0000000 0.4439652), wk = 0.0025381 k( 172) = ( 0.0000000 0.0000000 0.4246624), wk = 0.0025381 k( 173) = ( 0.0000000 0.0000000 0.4053595), wk = 0.0025381 k( 174) = ( 0.0000000 0.0000000 0.3860567), wk = 0.0025381 k( 175) = ( 0.0000000 0.0000000 0.3667539), wk = 0.0025381 k( 176) = ( 0.0000000 0.0000000 0.3474510), wk = 0.0025381 k( 177) = ( 0.0000000 0.0000000 0.3281482), wk = 0.0025381 k( 178) = ( 0.0000000 0.0000000 0.3088454), wk = 0.0025381 k( 179) = ( 0.0000000 0.0000000 0.2895425), wk = 0.0025381 k( 180) = ( 0.0000000 0.0000000 0.2702397), wk = 0.0025381 k( 181) = ( 0.0000000 0.0000000 0.2509369), wk = 0.0025381 k( 182) = ( 0.0000000 0.0000000 0.2316340), wk = 0.0025381 k( 183) = ( 0.0000000 0.0000000 0.2123312), wk = 0.0025381 k( 184) = ( 0.0000000 0.0000000 0.1930284), wk = 0.0025381 k( 185) = ( 0.0000000 0.0000000 0.1737255), wk = 0.0025381 k( 186) = ( 0.0000000 0.0000000 0.1544227), wk = 0.0025381 k( 187) = ( 0.0000000 0.0000000 0.1351198), wk = 0.0025381 k( 188) = ( 0.0000000 0.0000000 0.1158170), wk = 0.0025381 k( 189) = ( 0.0000000 0.0000000 0.0965142), wk = 0.0025381 k( 190) = ( 0.0000000 0.0000000 0.0772113), wk = 0.0025381 k( 191) = ( 0.0000000 0.0000000 0.0579085), wk = 0.0025381 k( 192) = ( 0.0000000 0.0000000 0.0386057), wk = 0.0025381 k( 193) = ( 0.0000000 0.0000000 0.0193028), wk = 0.0025381 k( 194) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025381 k( 195) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025381 k( 196) = ( -0.0178571 0.0064630 0.0000000), wk = 0.0025381 k( 197) = ( -0.0357143 0.0129261 0.0000000), wk = 0.0025381 k( 198) = ( -0.0535714 0.0193891 0.0000000), wk = 0.0025381 k( 199) = ( -0.0714286 0.0258521 0.0000000), wk = 0.0025381 k( 200) = ( -0.0892857 0.0323151 0.0000000), wk = 0.0025381 k( 201) = ( -0.1071429 0.0387781 0.0000000), wk = 0.0025381 k( 202) = ( -0.1250000 0.0452412 0.0000000), wk = 0.0025381 k( 203) = ( -0.1428571 0.0517042 0.0000000), wk = 0.0025381 k( 204) = ( -0.1607143 0.0581672 0.0000000), wk = 0.0025381 k( 205) = ( -0.1785714 0.0646302 0.0000000), wk = 0.0025381 k( 206) = ( -0.1964286 0.0710933 0.0000000), wk = 0.0025381 k( 207) = ( -0.2142857 0.0775563 0.0000000), wk = 0.0025381 k( 208) = ( -0.2321429 0.0840193 0.0000000), wk = 0.0025381 k( 209) = ( -0.2500000 0.0904823 0.0000000), wk = 0.0025381 k( 210) = ( -0.2678571 0.0969454 0.0000000), wk = 0.0025381 k( 211) = ( -0.2857143 0.1034084 0.0000000), wk = 0.0025381 k( 212) = ( -0.3035714 0.1098714 0.0000000), wk = 0.0025381 k( 213) = ( -0.3214286 0.1163344 0.0000000), wk = 0.0025381 k( 214) = ( -0.3392857 0.1227975 0.0000000), wk = 0.0025381 k( 215) = ( -0.3571429 0.1292605 0.0000000), wk = 0.0025381 k( 216) = ( -0.3750000 0.1357235 0.0000000), wk = 0.0025381 k( 217) = ( -0.3928571 0.1421865 0.0000000), wk = 0.0025381 k( 218) = ( -0.4107143 0.1486496 0.0000000), wk = 0.0025381 k( 219) = ( -0.4285714 0.1551126 0.0000000), wk = 0.0025381 k( 220) = ( -0.4464286 0.1615756 0.0000000), wk = 0.0025381 k( 221) = ( -0.4642857 0.1680386 0.0000000), wk = 0.0025381 k( 222) = ( -0.4821429 0.1745017 0.0000000), wk = 0.0025381 k( 223) = ( -0.5000000 0.1809647 0.0000000), wk = 0.0025381 k( 224) = ( -0.5000000 0.1809647 0.0000000), wk = 0.0025381 k( 225) = ( -0.4934166 0.1991544 -0.0000000), wk = 0.0025381 k( 226) = ( -0.4868332 0.2173441 -0.0000000), wk = 0.0025381 k( 227) = ( -0.4802498 0.2355338 -0.0000000), wk = 0.0025381 k( 228) = ( -0.4736665 0.2537235 -0.0000000), wk = 0.0025381 k( 229) = ( -0.4670831 0.2719132 -0.0000000), wk = 0.0025381 k( 230) = ( -0.4604997 0.2901029 -0.0000000), wk = 0.0025381 k( 231) = ( -0.4539163 0.3082926 -0.0000000), wk = 0.0025381 k( 232) = ( -0.4473329 0.3264823 -0.0000000), wk = 0.0025381 k( 233) = ( -0.4407495 0.3446720 -0.0000000), wk = 0.0025381 k( 234) = ( -0.4341661 0.3628617 -0.0000000), wk = 0.0025381 k( 235) = ( -0.4275827 0.3810514 -0.0000000), wk = 0.0025381 k( 236) = ( -0.4209993 0.3992411 -0.0000000), wk = 0.0025381 k( 237) = ( -0.4144160 0.4174308 -0.0000000), wk = 0.0025381 k( 238) = ( -0.4078326 0.4356205 -0.0000000), wk = 0.0025381 k( 239) = ( -0.4012492 0.4538102 -0.0000000), wk = 0.0025381 k( 240) = ( -0.3946658 0.4719999 -0.0000000), wk = 0.0025381 k( 241) = ( -0.3880824 0.4901896 -0.0000000), wk = 0.0025381 k( 242) = ( -0.3814990 0.5083793 -0.0000000), wk = 0.0025381 k( 243) = ( -0.3749156 0.5265690 -0.0000000), wk = 0.0025381 k( 244) = ( -0.3683323 0.5447587 -0.0000000), wk = 0.0025381 k( 245) = ( -0.3617489 0.5629484 -0.0000000), wk = 0.0025381 k( 246) = ( -0.3551655 0.5811381 -0.0000000), wk = 0.0025381 k( 247) = ( -0.3485821 0.5993278 -0.0000000), wk = 0.0025381 k( 248) = ( -0.3419987 0.6175175 -0.0000000), wk = 0.0025381 k( 249) = ( -0.3354153 0.6357072 -0.0000000), wk = 0.0025381 k( 250) = ( -0.3288319 0.6538969 -0.0000000), wk = 0.0025381 k( 251) = ( -0.3222485 0.6720866 -0.0000000), wk = 0.0025381 k( 252) = ( -0.3156652 0.6902763 -0.0000000), wk = 0.0025381 k( 253) = ( -0.3090818 0.7084660 -0.0000000), wk = 0.0025381 k( 254) = ( -0.3024984 0.7266557 -0.0000000), wk = 0.0025381 k( 255) = ( -0.2959150 0.7448454 -0.0000000), wk = 0.0025381 k( 256) = ( -0.2893316 0.7630352 -0.0000000), wk = 0.0025381 k( 257) = ( -0.2827482 0.7812248 -0.0000000), wk = 0.0025381 k( 258) = ( -0.2827482 0.7812248 -0.0000000), wk = 0.0025381 k( 259) = ( -0.2827482 0.7812248 0.0193028), wk = 0.0025381 k( 260) = ( -0.2827482 0.7812248 0.0386057), wk = 0.0025381 k( 261) = ( -0.2827482 0.7812248 0.0579085), wk = 0.0025381 k( 262) = ( -0.2827482 0.7812248 0.0772113), wk = 0.0025381 k( 263) = ( -0.2827482 0.7812248 0.0965142), wk = 0.0025381 k( 264) = ( -0.2827482 0.7812248 0.1158170), wk = 0.0025381 k( 265) = ( -0.2827482 0.7812248 0.1351198), wk = 0.0025381 k( 266) = ( -0.2827482 0.7812248 0.1544227), wk = 0.0025381 k( 267) = ( -0.2827482 0.7812248 0.1737255), wk = 0.0025381 k( 268) = ( -0.2827482 0.7812248 0.1930284), wk = 0.0025381 k( 269) = ( -0.2827482 0.7812248 0.2123312), wk = 0.0025381 k( 270) = ( -0.2827482 0.7812248 0.2316340), wk = 0.0025381 k( 271) = ( -0.2827482 0.7812248 0.2509369), wk = 0.0025381 k( 272) = ( -0.2827482 0.7812248 0.2702397), wk = 0.0025381 k( 273) = ( -0.2827482 0.7812248 0.2895425), wk = 0.0025381 k( 274) = ( -0.2827482 0.7812248 0.3088454), wk = 0.0025381 k( 275) = ( -0.2827482 0.7812248 0.3281482), wk = 0.0025381 k( 276) = ( -0.2827482 0.7812248 0.3474510), wk = 0.0025381 k( 277) = ( -0.2827482 0.7812248 0.3667539), wk = 0.0025381 k( 278) = ( -0.2827482 0.7812248 0.3860567), wk = 0.0025381 k( 279) = ( -0.2827482 0.7812248 0.4053595), wk = 0.0025381 k( 280) = ( -0.2827482 0.7812248 0.4246624), wk = 0.0025381 k( 281) = ( -0.2827482 0.7812248 0.4439652), wk = 0.0025381 k( 282) = ( -0.2827482 0.7812248 0.4632680), wk = 0.0025381 k( 283) = ( -0.2827482 0.7812248 0.4825709), wk = 0.0025381 k( 284) = ( -0.2827482 0.7812248 0.5018737), wk = 0.0025381 k( 285) = ( -0.2827482 0.7812248 0.5211766), wk = 0.0025381 k( 286) = ( -0.2827482 0.7812248 0.5404794), wk = 0.0025381 k( 287) = ( -0.2827482 0.7812248 0.5597822), wk = 0.0025381 k( 288) = ( -0.2827482 0.7812248 0.5790851), wk = 0.0025381 k( 289) = ( -0.2827482 0.7812248 0.5983879), wk = 0.0025381 k( 290) = ( -0.2827482 0.7812248 0.6176907), wk = 0.0025381 k( 291) = ( -0.2827482 0.7812248 0.6369936), wk = 0.0025381 k( 292) = ( -0.2827482 0.7812248 0.6562964), wk = 0.0025381 k( 293) = ( -0.2827482 0.7812248 0.6755992), wk = 0.0025381 k( 294) = ( -0.2827482 0.7812248 0.6949021), wk = 0.0025381 k( 295) = ( -0.2827482 0.7812248 0.6949021), wk = 0.0025381 k( 296) = ( -0.2893316 0.7630352 0.6949021), wk = 0.0025381 k( 297) = ( -0.2959150 0.7448454 0.6949021), wk = 0.0025381 k( 298) = ( -0.3024984 0.7266557 0.6949021), wk = 0.0025381 k( 299) = ( -0.3090818 0.7084660 0.6949021), wk = 0.0025381 k( 300) = ( -0.3156652 0.6902763 0.6949021), wk = 0.0025381 k( 301) = ( -0.3222485 0.6720866 0.6949021), wk = 0.0025381 k( 302) = ( -0.3288319 0.6538969 0.6949021), wk = 0.0025381 k( 303) = ( -0.3354153 0.6357072 0.6949021), wk = 0.0025381 k( 304) = ( -0.3419987 0.6175175 0.6949021), wk = 0.0025381 k( 305) = ( -0.3485821 0.5993278 0.6949021), wk = 0.0025381 k( 306) = ( -0.3551655 0.5811381 0.6949021), wk = 0.0025381 k( 307) = ( -0.3617489 0.5629484 0.6949021), wk = 0.0025381 k( 308) = ( -0.3683323 0.5447587 0.6949021), wk = 0.0025381 k( 309) = ( -0.3749156 0.5265690 0.6949021), wk = 0.0025381 k( 310) = ( -0.3814990 0.5083793 0.6949021), wk = 0.0025381 k( 311) = ( -0.3880824 0.4901896 0.6949021), wk = 0.0025381 k( 312) = ( -0.3946658 0.4719999 0.6949021), wk = 0.0025381 k( 313) = ( -0.4012492 0.4538102 0.6949021), wk = 0.0025381 k( 314) = ( -0.4078326 0.4356205 0.6949021), wk = 0.0025381 k( 315) = ( -0.4144160 0.4174308 0.6949021), wk = 0.0025381 k( 316) = ( -0.4209993 0.3992411 0.6949021), wk = 0.0025381 k( 317) = ( -0.4275827 0.3810514 0.6949021), wk = 0.0025381 k( 318) = ( -0.4341661 0.3628617 0.6949021), wk = 0.0025381 k( 319) = ( -0.4407495 0.3446720 0.6949021), wk = 0.0025381 k( 320) = ( -0.4473329 0.3264823 0.6949021), wk = 0.0025381 k( 321) = ( -0.4539163 0.3082926 0.6949021), wk = 0.0025381 k( 322) = ( -0.4604997 0.2901029 0.6949021), wk = 0.0025381 k( 323) = ( -0.4670831 0.2719132 0.6949021), wk = 0.0025381 k( 324) = ( -0.4736665 0.2537235 0.6949021), wk = 0.0025381 k( 325) = ( -0.4802498 0.2355338 0.6949021), wk = 0.0025381 k( 326) = ( -0.4868332 0.2173441 0.6949021), wk = 0.0025381 k( 327) = ( -0.4934166 0.1991544 0.6949021), wk = 0.0025381 k( 328) = ( -0.5000000 0.1809647 0.6949021), wk = 0.0025381 k( 329) = ( -0.5000000 0.1809647 0.6949021), wk = 0.0025381 k( 330) = ( -0.5000000 0.1809647 0.6755992), wk = 0.0025381 k( 331) = ( -0.5000000 0.1809647 0.6562964), wk = 0.0025381 k( 332) = ( -0.5000000 0.1809647 0.6369936), wk = 0.0025381 k( 333) = ( -0.5000000 0.1809647 0.6176907), wk = 0.0025381 k( 334) = ( -0.5000000 0.1809647 0.5983879), wk = 0.0025381 k( 335) = ( -0.5000000 0.1809647 0.5790851), wk = 0.0025381 k( 336) = ( -0.5000000 0.1809647 0.5597822), wk = 0.0025381 k( 337) = ( -0.5000000 0.1809647 0.5404794), wk = 0.0025381 k( 338) = ( -0.5000000 0.1809647 0.5211766), wk = 0.0025381 k( 339) = ( -0.5000000 0.1809647 0.5018737), wk = 0.0025381 k( 340) = ( -0.5000000 0.1809647 0.4825709), wk = 0.0025381 k( 341) = ( -0.5000000 0.1809647 0.4632680), wk = 0.0025381 k( 342) = ( -0.5000000 0.1809647 0.4439652), wk = 0.0025381 k( 343) = ( -0.5000000 0.1809647 0.4246624), wk = 0.0025381 k( 344) = ( -0.5000000 0.1809647 0.4053595), wk = 0.0025381 k( 345) = ( -0.5000000 0.1809647 0.3860567), wk = 0.0025381 k( 346) = ( -0.5000000 0.1809647 0.3667539), wk = 0.0025381 k( 347) = ( -0.5000000 0.1809647 0.3474510), wk = 0.0025381 k( 348) = ( -0.5000000 0.1809647 0.3281482), wk = 0.0025381 k( 349) = ( -0.5000000 0.1809647 0.3088454), wk = 0.0025381 k( 350) = ( -0.5000000 0.1809647 0.2895425), wk = 0.0025381 k( 351) = ( -0.5000000 0.1809647 0.2702397), wk = 0.0025381 k( 352) = ( -0.5000000 0.1809647 0.2509369), wk = 0.0025381 k( 353) = ( -0.5000000 0.1809647 0.2316340), wk = 0.0025381 k( 354) = ( -0.5000000 0.1809647 0.2123312), wk = 0.0025381 k( 355) = ( -0.5000000 0.1809647 0.1930284), wk = 0.0025381 k( 356) = ( -0.5000000 0.1809647 0.1737255), wk = 0.0025381 k( 357) = ( -0.5000000 0.1809647 0.1544227), wk = 0.0025381 k( 358) = ( -0.5000000 0.1809647 0.1351198), wk = 0.0025381 k( 359) = ( -0.5000000 0.1809647 0.1158170), wk = 0.0025381 k( 360) = ( -0.5000000 0.1809647 0.0965142), wk = 0.0025381 k( 361) = ( -0.5000000 0.1809647 0.0772113), wk = 0.0025381 k( 362) = ( -0.5000000 0.1809647 0.0579085), wk = 0.0025381 k( 363) = ( -0.5000000 0.1809647 0.0386057), wk = 0.0025381 k( 364) = ( -0.5000000 0.1809647 0.0193028), wk = 0.0025381 k( 365) = ( -0.5000000 0.1809647 0.0000000), wk = 0.0025381 k( 366) = ( 0.0000000 0.0000000 0.6949021), wk = 0.0025381 k( 367) = ( -0.0178571 0.0064630 0.6949021), wk = 0.0025381 k( 368) = ( -0.0357143 0.0129261 0.6949021), wk = 0.0025381 k( 369) = ( -0.0535714 0.0193891 0.6949021), wk = 0.0025381 k( 370) = ( -0.0714286 0.0258521 0.6949021), wk = 0.0025381 k( 371) = ( -0.0892857 0.0323151 0.6949021), wk = 0.0025381 k( 372) = ( -0.1071429 0.0387781 0.6949021), wk = 0.0025381 k( 373) = ( -0.1250000 0.0452412 0.6949021), wk = 0.0025381 k( 374) = ( -0.1428571 0.0517042 0.6949021), wk = 0.0025381 k( 375) = ( -0.1607143 0.0581672 0.6949021), wk = 0.0025381 k( 376) = ( -0.1785714 0.0646302 0.6949021), wk = 0.0025381 k( 377) = ( -0.1964286 0.0710933 0.6949021), wk = 0.0025381 k( 378) = ( -0.2142857 0.0775563 0.6949021), wk = 0.0025381 k( 379) = ( -0.2321429 0.0840193 0.6949021), wk = 0.0025381 k( 380) = ( -0.2500000 0.0904823 0.6949021), wk = 0.0025381 k( 381) = ( -0.2678571 0.0969454 0.6949021), wk = 0.0025381 k( 382) = ( -0.2857143 0.1034084 0.6949021), wk = 0.0025381 k( 383) = ( -0.3035714 0.1098714 0.6949021), wk = 0.0025381 k( 384) = ( -0.3214286 0.1163344 0.6949021), wk = 0.0025381 k( 385) = ( -0.3392857 0.1227975 0.6949021), wk = 0.0025381 k( 386) = ( -0.3571429 0.1292605 0.6949021), wk = 0.0025381 k( 387) = ( -0.3750000 0.1357235 0.6949021), wk = 0.0025381 k( 388) = ( -0.3928571 0.1421865 0.6949021), wk = 0.0025381 k( 389) = ( -0.4107143 0.1486496 0.6949021), wk = 0.0025381 k( 390) = ( -0.4285714 0.1551126 0.6949021), wk = 0.0025381 k( 391) = ( -0.4464286 0.1615756 0.6949021), wk = 0.0025381 k( 392) = ( -0.4642857 0.1680386 0.6949021), wk = 0.0025381 k( 393) = ( -0.4821429 0.1745017 0.6949021), wk = 0.0025381 k( 394) = ( -0.5000000 0.1809647 0.6949021), wk = 0.0025381 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025381 k( 2) = ( 0.0065755 0.0065755 0.0000000), wk = 0.0025381 k( 3) = ( 0.0131511 0.0131511 0.0000000), wk = 0.0025381 k( 4) = ( 0.0197266 0.0197266 0.0000000), wk = 0.0025381 k( 5) = ( 0.0263022 0.0263022 0.0000000), wk = 0.0025381 k( 6) = ( 0.0328777 0.0328777 0.0000000), wk = 0.0025381 k( 7) = ( 0.0394532 0.0394532 0.0000000), wk = 0.0025381 k( 8) = ( 0.0460288 0.0460288 0.0000000), wk = 0.0025381 k( 9) = ( 0.0526043 0.0526043 0.0000000), wk = 0.0025381 k( 10) = ( 0.0591799 0.0591799 -0.0000000), wk = 0.0025381 k( 11) = ( 0.0657554 0.0657554 0.0000000), wk = 0.0025381 k( 12) = ( 0.0723309 0.0723309 -0.0000000), wk = 0.0025381 k( 13) = ( 0.0789065 0.0789065 0.0000000), wk = 0.0025381 k( 14) = ( 0.0854820 0.0854820 0.0000000), wk = 0.0025381 k( 15) = ( 0.0920576 0.0920576 0.0000000), wk = 0.0025381 k( 16) = ( 0.0986331 0.0986331 0.0000000), wk = 0.0025381 k( 17) = ( 0.1052086 0.1052086 0.0000000), wk = 0.0025381 k( 18) = ( 0.1117842 0.1117842 0.0000000), wk = 0.0025381 k( 19) = ( 0.1183597 0.1183597 -0.0000000), wk = 0.0025381 k( 20) = ( 0.1249353 0.1249353 -0.0000000), wk = 0.0025381 k( 21) = ( 0.1315108 0.1315108 0.0000000), wk = 0.0025381 k( 22) = ( 0.1380863 0.1380863 -0.0000000), wk = 0.0025381 k( 23) = ( 0.1446619 0.1446619 -0.0000000), wk = 0.0025381 k( 24) = ( 0.1512374 0.1512374 0.0000000), wk = 0.0025381 k( 25) = ( 0.1578130 0.1578130 0.0000000), wk = 0.0025381 k( 26) = ( 0.1643885 0.1643885 -0.0000000), wk = 0.0025381 k( 27) = ( 0.1709640 0.1709640 0.0000000), wk = 0.0025381 k( 28) = ( 0.1775396 0.1775396 0.0000000), wk = 0.0025381 k( 29) = ( 0.1841151 0.1841151 0.0000000), wk = 0.0025381 k( 30) = ( 0.1906907 0.1906907 0.0000000), wk = 0.0025381 k( 31) = ( 0.1972662 0.1972662 0.0000000), wk = 0.0025381 k( 32) = ( 0.2038417 0.2038417 0.0000000), wk = 0.0025381 k( 33) = ( 0.2104173 0.2104173 0.0000000), wk = 0.0025381 k( 34) = ( 0.2169928 0.2169928 0.0000000), wk = 0.0025381 k( 35) = ( 0.2235684 0.2235684 0.0000000), wk = 0.0025381 k( 36) = ( 0.2301439 0.2301439 0.0000000), wk = 0.0025381 k( 37) = ( 0.2367194 0.2367194 -0.0000000), wk = 0.0025381 k( 38) = ( 0.2432950 0.2432950 0.0000000), wk = 0.0025381 k( 39) = ( 0.2498705 0.2498705 -0.0000000), wk = 0.0025381 k( 40) = ( 0.2564461 0.2564461 0.0000000), wk = 0.0025381 k( 41) = ( 0.2630216 0.2630216 0.0000000), wk = 0.0025381 k( 42) = ( 0.2695971 0.2695971 0.0000000), wk = 0.0025381 k( 43) = ( 0.2761727 0.2761727 -0.0000000), wk = 0.0025381 k( 44) = ( 0.2827482 0.2827482 0.0000000), wk = 0.0025381 k( 45) = ( 0.2827482 0.2827482 0.0000000), wk = 0.0025381 k( 46) = ( 0.2638983 0.2972317 0.0000000), wk = 0.0025381 k( 47) = ( 0.2450485 0.3117151 -0.0000000), wk = 0.0025381 k( 48) = ( 0.2261986 0.3261986 -0.0000000), wk = 0.0025381 k( 49) = ( 0.2073487 0.3406820 0.0000000), wk = 0.0025381 k( 50) = ( 0.1884988 0.3551655 0.0000000), wk = 0.0025381 k( 51) = ( 0.1696489 0.3696489 -0.0000000), wk = 0.0025381 k( 52) = ( 0.1507990 0.3841324 0.0000000), wk = 0.0025381 k( 53) = ( 0.1319492 0.3986158 -0.0000000), wk = 0.0025381 k( 54) = ( 0.1130993 0.4130993 0.0000000), wk = 0.0025381 k( 55) = ( 0.0942494 0.4275827 0.0000000), wk = 0.0025381 k( 56) = ( 0.0753995 0.4420662 0.0000000), wk = 0.0025381 k( 57) = ( 0.0565496 0.4565496 0.0000000), wk = 0.0025381 k( 58) = ( 0.0376998 0.4710331 0.0000000), wk = 0.0025381 k( 59) = ( 0.0188499 0.4855166 -0.0000000), wk = 0.0025381 k( 60) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025381 k( 61) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025381 k( 62) = ( 0.0000000 0.5000000 0.0138889), wk = 0.0025381 k( 63) = ( 0.0000000 0.5000000 0.0277778), wk = 0.0025381 k( 64) = ( 0.0000000 0.5000000 0.0416667), wk = 0.0025381 k( 65) = ( 0.0000000 0.5000000 0.0555556), wk = 0.0025381 k( 66) = ( 0.0000000 0.5000000 0.0694444), wk = 0.0025381 k( 67) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0025381 k( 68) = ( 0.0000000 0.5000000 0.0972222), wk = 0.0025381 k( 69) = ( 0.0000000 0.5000000 0.1111111), wk = 0.0025381 k( 70) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0025381 k( 71) = ( 0.0000000 0.5000000 0.1388889), wk = 0.0025381 k( 72) = ( 0.0000000 0.5000000 0.1527778), wk = 0.0025381 k( 73) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0025381 k( 74) = ( 0.0000000 0.5000000 0.1805556), wk = 0.0025381 k( 75) = ( 0.0000000 0.5000000 0.1944444), wk = 0.0025381 k( 76) = ( 0.0000000 0.5000000 0.2083333), wk = 0.0025381 k( 77) = ( 0.0000000 0.5000000 0.2222222), wk = 0.0025381 k( 78) = ( 0.0000000 0.5000000 0.2361111), wk = 0.0025381 k( 79) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0025381 k( 80) = ( 0.0000000 0.5000000 0.2638889), wk = 0.0025381 k( 81) = ( 0.0000000 0.5000000 0.2777778), wk = 0.0025381 k( 82) = ( 0.0000000 0.5000000 0.2916667), wk = 0.0025381 k( 83) = ( 0.0000000 0.5000000 0.3055556), wk = 0.0025381 k( 84) = ( 0.0000000 0.5000000 0.3194444), wk = 0.0025381 k( 85) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0025381 k( 86) = ( 0.0000000 0.5000000 0.3472222), wk = 0.0025381 k( 87) = ( 0.0000000 0.5000000 0.3611111), wk = 0.0025381 k( 88) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0025381 k( 89) = ( 0.0000000 0.5000000 0.3888889), wk = 0.0025381 k( 90) = ( 0.0000000 0.5000000 0.4027778), wk = 0.0025381 k( 91) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0025381 k( 92) = ( 0.0000000 0.5000000 0.4305556), wk = 0.0025381 k( 93) = ( 0.0000000 0.5000000 0.4444444), wk = 0.0025381 k( 94) = ( 0.0000000 0.5000000 0.4583333), wk = 0.0025381 k( 95) = ( 0.0000000 0.5000000 0.4722222), wk = 0.0025381 k( 96) = ( 0.0000000 0.5000000 0.4861111), wk = 0.0025381 k( 97) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025381 k( 98) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025381 k( 99) = ( 0.0188499 0.4855166 0.5000000), wk = 0.0025381 k( 100) = ( 0.0376998 0.4710331 0.5000000), wk = 0.0025381 k( 101) = ( 0.0565496 0.4565496 0.5000000), wk = 0.0025381 k( 102) = ( 0.0753995 0.4420662 0.5000000), wk = 0.0025381 k( 103) = ( 0.0942494 0.4275827 0.5000000), wk = 0.0025381 k( 104) = ( 0.1130993 0.4130993 0.5000000), wk = 0.0025381 k( 105) = ( 0.1319492 0.3986158 0.5000000), wk = 0.0025381 k( 106) = ( 0.1507990 0.3841324 0.5000000), wk = 0.0025381 k( 107) = ( 0.1696489 0.3696489 0.5000000), wk = 0.0025381 k( 108) = ( 0.1884988 0.3551655 0.5000000), wk = 0.0025381 k( 109) = ( 0.2073487 0.3406820 0.5000000), wk = 0.0025381 k( 110) = ( 0.2261986 0.3261986 0.5000000), wk = 0.0025381 k( 111) = ( 0.2450485 0.3117151 0.5000000), wk = 0.0025381 k( 112) = ( 0.2638983 0.2972317 0.5000000), wk = 0.0025381 k( 113) = ( 0.2827482 0.2827482 0.5000000), wk = 0.0025381 k( 114) = ( 0.2827482 0.2827482 0.5000000), wk = 0.0025381 k( 115) = ( 0.2761727 0.2761727 0.5000000), wk = 0.0025381 k( 116) = ( 0.2695971 0.2695971 0.5000000), wk = 0.0025381 k( 117) = ( 0.2630216 0.2630216 0.5000000), wk = 0.0025381 k( 118) = ( 0.2564461 0.2564461 0.5000000), wk = 0.0025381 k( 119) = ( 0.2498705 0.2498705 0.5000000), wk = 0.0025381 k( 120) = ( 0.2432950 0.2432950 0.5000000), wk = 0.0025381 k( 121) = ( 0.2367194 0.2367194 0.5000000), wk = 0.0025381 k( 122) = ( 0.2301439 0.2301439 0.5000000), wk = 0.0025381 k( 123) = ( 0.2235684 0.2235684 0.5000000), wk = 0.0025381 k( 124) = ( 0.2169928 0.2169928 0.5000000), wk = 0.0025381 k( 125) = ( 0.2104173 0.2104173 0.5000000), wk = 0.0025381 k( 126) = ( 0.2038417 0.2038417 0.5000000), wk = 0.0025381 k( 127) = ( 0.1972662 0.1972662 0.5000000), wk = 0.0025381 k( 128) = ( 0.1906907 0.1906907 0.5000000), wk = 0.0025381 k( 129) = ( 0.1841151 0.1841151 0.5000000), wk = 0.0025381 k( 130) = ( 0.1775396 0.1775396 0.5000000), wk = 0.0025381 k( 131) = ( 0.1709640 0.1709640 0.5000000), wk = 0.0025381 k( 132) = ( 0.1643885 0.1643885 0.5000000), wk = 0.0025381 k( 133) = ( 0.1578130 0.1578130 0.5000000), wk = 0.0025381 k( 134) = ( 0.1512374 0.1512374 0.5000000), wk = 0.0025381 k( 135) = ( 0.1446619 0.1446619 0.5000000), wk = 0.0025381 k( 136) = ( 0.1380863 0.1380863 0.5000000), wk = 0.0025381 k( 137) = ( 0.1315108 0.1315108 0.5000000), wk = 0.0025381 k( 138) = ( 0.1249353 0.1249353 0.5000000), wk = 0.0025381 k( 139) = ( 0.1183597 0.1183597 0.5000000), wk = 0.0025381 k( 140) = ( 0.1117842 0.1117842 0.5000000), wk = 0.0025381 k( 141) = ( 0.1052086 0.1052086 0.5000000), wk = 0.0025381 k( 142) = ( 0.0986331 0.0986331 0.5000000), wk = 0.0025381 k( 143) = ( 0.0920576 0.0920576 0.5000000), wk = 0.0025381 k( 144) = ( 0.0854820 0.0854820 0.5000000), wk = 0.0025381 k( 145) = ( 0.0789065 0.0789065 0.5000000), wk = 0.0025381 k( 146) = ( 0.0723309 0.0723309 0.5000000), wk = 0.0025381 k( 147) = ( 0.0657554 0.0657554 0.5000000), wk = 0.0025381 k( 148) = ( 0.0591799 0.0591799 0.5000000), wk = 0.0025381 k( 149) = ( 0.0526043 0.0526043 0.5000000), wk = 0.0025381 k( 150) = ( 0.0460288 0.0460288 0.5000000), wk = 0.0025381 k( 151) = ( 0.0394532 0.0394532 0.5000000), wk = 0.0025381 k( 152) = ( 0.0328777 0.0328777 0.5000000), wk = 0.0025381 k( 153) = ( 0.0263022 0.0263022 0.5000000), wk = 0.0025381 k( 154) = ( 0.0197266 0.0197266 0.5000000), wk = 0.0025381 k( 155) = ( 0.0131511 0.0131511 0.5000000), wk = 0.0025381 k( 156) = ( 0.0065755 0.0065755 0.5000000), wk = 0.0025381 k( 157) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025381 k( 158) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025381 k( 159) = ( 0.0000000 0.0000000 0.4861111), wk = 0.0025381 k( 160) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0025381 k( 161) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0025381 k( 162) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0025381 k( 163) = ( 0.0000000 0.0000000 0.4305556), wk = 0.0025381 k( 164) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0025381 k( 165) = ( 0.0000000 0.0000000 0.4027778), wk = 0.0025381 k( 166) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0025381 k( 167) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0025381 k( 168) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0025381 k( 169) = ( 0.0000000 0.0000000 0.3472222), wk = 0.0025381 k( 170) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0025381 k( 171) = ( 0.0000000 0.0000000 0.3194444), wk = 0.0025381 k( 172) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0025381 k( 173) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0025381 k( 174) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0025381 k( 175) = ( 0.0000000 0.0000000 0.2638889), wk = 0.0025381 k( 176) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0025381 k( 177) = ( 0.0000000 0.0000000 0.2361111), wk = 0.0025381 k( 178) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0025381 k( 179) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0025381 k( 180) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0025381 k( 181) = ( 0.0000000 0.0000000 0.1805556), wk = 0.0025381 k( 182) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0025381 k( 183) = ( 0.0000000 0.0000000 0.1527778), wk = 0.0025381 k( 184) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0025381 k( 185) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0025381 k( 186) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0025381 k( 187) = ( 0.0000000 0.0000000 0.0972222), wk = 0.0025381 k( 188) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0025381 k( 189) = ( 0.0000000 0.0000000 0.0694444), wk = 0.0025381 k( 190) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0025381 k( 191) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0025381 k( 192) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0025381 k( 193) = ( 0.0000000 0.0000000 0.0138889), wk = 0.0025381 k( 194) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025381 k( 195) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025381 k( 196) = ( -0.0178571 0.0178571 0.0000000), wk = 0.0025381 k( 197) = ( -0.0357143 0.0357143 -0.0000000), wk = 0.0025381 k( 198) = ( -0.0535714 0.0535714 -0.0000000), wk = 0.0025381 k( 199) = ( -0.0714286 0.0714286 -0.0000000), wk = 0.0025381 k( 200) = ( -0.0892857 0.0892857 -0.0000000), wk = 0.0025381 k( 201) = ( -0.1071429 0.1071429 -0.0000000), wk = 0.0025381 k( 202) = ( -0.1250000 0.1250000 0.0000000), wk = 0.0025381 k( 203) = ( -0.1428571 0.1428571 -0.0000000), wk = 0.0025381 k( 204) = ( -0.1607143 0.1607143 -0.0000000), wk = 0.0025381 k( 205) = ( -0.1785714 0.1785714 0.0000000), wk = 0.0025381 k( 206) = ( -0.1964286 0.1964286 0.0000000), wk = 0.0025381 k( 207) = ( -0.2142857 0.2142857 0.0000000), wk = 0.0025381 k( 208) = ( -0.2321429 0.2321429 -0.0000000), wk = 0.0025381 k( 209) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0025381 k( 210) = ( -0.2678571 0.2678571 0.0000000), wk = 0.0025381 k( 211) = ( -0.2857143 0.2857143 0.0000000), wk = 0.0025381 k( 212) = ( -0.3035714 0.3035714 -0.0000000), wk = 0.0025381 k( 213) = ( -0.3214286 0.3214286 0.0000000), wk = 0.0025381 k( 214) = ( -0.3392857 0.3392857 -0.0000000), wk = 0.0025381 k( 215) = ( -0.3571429 0.3571429 0.0000000), wk = 0.0025381 k( 216) = ( -0.3750000 0.3750000 -0.0000000), wk = 0.0025381 k( 217) = ( -0.3928571 0.3928571 0.0000000), wk = 0.0025381 k( 218) = ( -0.4107143 0.4107143 -0.0000000), wk = 0.0025381 k( 219) = ( -0.4285714 0.4285714 0.0000000), wk = 0.0025381 k( 220) = ( -0.4464286 0.4464286 -0.0000000), wk = 0.0025381 k( 221) = ( -0.4642857 0.4642857 0.0000000), wk = 0.0025381 k( 222) = ( -0.4821429 0.4821429 0.0000000), wk = 0.0025381 k( 223) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0025381 k( 224) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0025381 k( 225) = ( -0.4934166 0.5065834 0.0000000), wk = 0.0025381 k( 226) = ( -0.4868332 0.5131668 -0.0000000), wk = 0.0025381 k( 227) = ( -0.4802498 0.5197502 -0.0000000), wk = 0.0025381 k( 228) = ( -0.4736665 0.5263336 0.0000000), wk = 0.0025381 k( 229) = ( -0.4670831 0.5329169 0.0000000), wk = 0.0025381 k( 230) = ( -0.4604997 0.5395003 -0.0000000), wk = 0.0025381 k( 231) = ( -0.4539163 0.5460837 0.0000000), wk = 0.0025381 k( 232) = ( -0.4473329 0.5526671 0.0000000), wk = 0.0025381 k( 233) = ( -0.4407495 0.5592505 0.0000000), wk = 0.0025381 k( 234) = ( -0.4341661 0.5658339 0.0000000), wk = 0.0025381 k( 235) = ( -0.4275827 0.5724173 -0.0000000), wk = 0.0025381 k( 236) = ( -0.4209993 0.5790007 -0.0000000), wk = 0.0025381 k( 237) = ( -0.4144160 0.5855840 0.0000000), wk = 0.0025381 k( 238) = ( -0.4078326 0.5921674 0.0000000), wk = 0.0025381 k( 239) = ( -0.4012492 0.5987508 0.0000000), wk = 0.0025381 k( 240) = ( -0.3946658 0.6053342 -0.0000000), wk = 0.0025381 k( 241) = ( -0.3880824 0.6119176 -0.0000000), wk = 0.0025381 k( 242) = ( -0.3814990 0.6185010 0.0000000), wk = 0.0025381 k( 243) = ( -0.3749156 0.6250844 0.0000000), wk = 0.0025381 k( 244) = ( -0.3683323 0.6316678 0.0000000), wk = 0.0025381 k( 245) = ( -0.3617489 0.6382511 0.0000000), wk = 0.0025381 k( 246) = ( -0.3551655 0.6448345 0.0000000), wk = 0.0025381 k( 247) = ( -0.3485821 0.6514179 0.0000000), wk = 0.0025381 k( 248) = ( -0.3419987 0.6580013 0.0000000), wk = 0.0025381 k( 249) = ( -0.3354153 0.6645847 -0.0000000), wk = 0.0025381 k( 250) = ( -0.3288319 0.6711681 0.0000000), wk = 0.0025381 k( 251) = ( -0.3222485 0.6777515 -0.0000000), wk = 0.0025381 k( 252) = ( -0.3156652 0.6843349 0.0000000), wk = 0.0025381 k( 253) = ( -0.3090818 0.6909182 0.0000000), wk = 0.0025381 k( 254) = ( -0.3024984 0.6975016 0.0000000), wk = 0.0025381 k( 255) = ( -0.2959150 0.7040850 0.0000000), wk = 0.0025381 k( 256) = ( -0.2893316 0.7106684 -0.0000000), wk = 0.0025381 k( 257) = ( -0.2827482 0.7172518 -0.0000000), wk = 0.0025381 k( 258) = ( -0.2827482 0.7172518 -0.0000000), wk = 0.0025381 k( 259) = ( -0.2827482 0.7172518 0.0138889), wk = 0.0025381 k( 260) = ( -0.2827482 0.7172518 0.0277778), wk = 0.0025381 k( 261) = ( -0.2827482 0.7172518 0.0416667), wk = 0.0025381 k( 262) = ( -0.2827482 0.7172518 0.0555556), wk = 0.0025381 k( 263) = ( -0.2827482 0.7172518 0.0694444), wk = 0.0025381 k( 264) = ( -0.2827482 0.7172518 0.0833333), wk = 0.0025381 k( 265) = ( -0.2827482 0.7172518 0.0972222), wk = 0.0025381 k( 266) = ( -0.2827482 0.7172518 0.1111111), wk = 0.0025381 k( 267) = ( -0.2827482 0.7172518 0.1250000), wk = 0.0025381 k( 268) = ( -0.2827482 0.7172518 0.1388889), wk = 0.0025381 k( 269) = ( -0.2827482 0.7172518 0.1527778), wk = 0.0025381 k( 270) = ( -0.2827482 0.7172518 0.1666667), wk = 0.0025381 k( 271) = ( -0.2827482 0.7172518 0.1805556), wk = 0.0025381 k( 272) = ( -0.2827482 0.7172518 0.1944444), wk = 0.0025381 k( 273) = ( -0.2827482 0.7172518 0.2083333), wk = 0.0025381 k( 274) = ( -0.2827482 0.7172518 0.2222222), wk = 0.0025381 k( 275) = ( -0.2827482 0.7172518 0.2361111), wk = 0.0025381 k( 276) = ( -0.2827482 0.7172518 0.2500000), wk = 0.0025381 k( 277) = ( -0.2827482 0.7172518 0.2638889), wk = 0.0025381 k( 278) = ( -0.2827482 0.7172518 0.2777778), wk = 0.0025381 k( 279) = ( -0.2827482 0.7172518 0.2916667), wk = 0.0025381 k( 280) = ( -0.2827482 0.7172518 0.3055556), wk = 0.0025381 k( 281) = ( -0.2827482 0.7172518 0.3194444), wk = 0.0025381 k( 282) = ( -0.2827482 0.7172518 0.3333333), wk = 0.0025381 k( 283) = ( -0.2827482 0.7172518 0.3472222), wk = 0.0025381 k( 284) = ( -0.2827482 0.7172518 0.3611111), wk = 0.0025381 k( 285) = ( -0.2827482 0.7172518 0.3750000), wk = 0.0025381 k( 286) = ( -0.2827482 0.7172518 0.3888889), wk = 0.0025381 k( 287) = ( -0.2827482 0.7172518 0.4027778), wk = 0.0025381 k( 288) = ( -0.2827482 0.7172518 0.4166667), wk = 0.0025381 k( 289) = ( -0.2827482 0.7172518 0.4305556), wk = 0.0025381 k( 290) = ( -0.2827482 0.7172518 0.4444444), wk = 0.0025381 k( 291) = ( -0.2827482 0.7172518 0.4583333), wk = 0.0025381 k( 292) = ( -0.2827482 0.7172518 0.4722222), wk = 0.0025381 k( 293) = ( -0.2827482 0.7172518 0.4861111), wk = 0.0025381 k( 294) = ( -0.2827482 0.7172518 0.5000000), wk = 0.0025381 k( 295) = ( -0.2827482 0.7172518 0.5000000), wk = 0.0025381 k( 296) = ( -0.2893316 0.7106684 0.5000000), wk = 0.0025381 k( 297) = ( -0.2959150 0.7040850 0.5000000), wk = 0.0025381 k( 298) = ( -0.3024984 0.6975016 0.5000000), wk = 0.0025381 k( 299) = ( -0.3090818 0.6909182 0.5000000), wk = 0.0025381 k( 300) = ( -0.3156652 0.6843349 0.5000000), wk = 0.0025381 k( 301) = ( -0.3222485 0.6777515 0.5000000), wk = 0.0025381 k( 302) = ( -0.3288319 0.6711681 0.5000000), wk = 0.0025381 k( 303) = ( -0.3354153 0.6645847 0.5000000), wk = 0.0025381 k( 304) = ( -0.3419987 0.6580013 0.5000000), wk = 0.0025381 k( 305) = ( -0.3485821 0.6514179 0.5000000), wk = 0.0025381 k( 306) = ( -0.3551655 0.6448345 0.5000000), wk = 0.0025381 k( 307) = ( -0.3617489 0.6382511 0.5000000), wk = 0.0025381 k( 308) = ( -0.3683323 0.6316678 0.5000000), wk = 0.0025381 k( 309) = ( -0.3749156 0.6250844 0.5000000), wk = 0.0025381 k( 310) = ( -0.3814990 0.6185010 0.5000000), wk = 0.0025381 k( 311) = ( -0.3880824 0.6119176 0.5000000), wk = 0.0025381 k( 312) = ( -0.3946658 0.6053342 0.5000000), wk = 0.0025381 k( 313) = ( -0.4012492 0.5987508 0.5000000), wk = 0.0025381 k( 314) = ( -0.4078326 0.5921674 0.5000000), wk = 0.0025381 k( 315) = ( -0.4144160 0.5855840 0.5000000), wk = 0.0025381 k( 316) = ( -0.4209993 0.5790007 0.5000000), wk = 0.0025381 k( 317) = ( -0.4275827 0.5724173 0.5000000), wk = 0.0025381 k( 318) = ( -0.4341661 0.5658339 0.5000000), wk = 0.0025381 k( 319) = ( -0.4407495 0.5592505 0.5000000), wk = 0.0025381 k( 320) = ( -0.4473329 0.5526671 0.5000000), wk = 0.0025381 k( 321) = ( -0.4539163 0.5460837 0.5000000), wk = 0.0025381 k( 322) = ( -0.4604997 0.5395003 0.5000000), wk = 0.0025381 k( 323) = ( -0.4670831 0.5329169 0.5000000), wk = 0.0025381 k( 324) = ( -0.4736665 0.5263336 0.5000000), wk = 0.0025381 k( 325) = ( -0.4802498 0.5197502 0.5000000), wk = 0.0025381 k( 326) = ( -0.4868332 0.5131668 0.5000000), wk = 0.0025381 k( 327) = ( -0.4934166 0.5065834 0.5000000), wk = 0.0025381 k( 328) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025381 k( 329) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025381 k( 330) = ( -0.5000000 0.5000000 0.4861111), wk = 0.0025381 k( 331) = ( -0.5000000 0.5000000 0.4722222), wk = 0.0025381 k( 332) = ( -0.5000000 0.5000000 0.4583333), wk = 0.0025381 k( 333) = ( -0.5000000 0.5000000 0.4444444), wk = 0.0025381 k( 334) = ( -0.5000000 0.5000000 0.4305556), wk = 0.0025381 k( 335) = ( -0.5000000 0.5000000 0.4166667), wk = 0.0025381 k( 336) = ( -0.5000000 0.5000000 0.4027778), wk = 0.0025381 k( 337) = ( -0.5000000 0.5000000 0.3888889), wk = 0.0025381 k( 338) = ( -0.5000000 0.5000000 0.3750000), wk = 0.0025381 k( 339) = ( -0.5000000 0.5000000 0.3611111), wk = 0.0025381 k( 340) = ( -0.5000000 0.5000000 0.3472222), wk = 0.0025381 k( 341) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0025381 k( 342) = ( -0.5000000 0.5000000 0.3194444), wk = 0.0025381 k( 343) = ( -0.5000000 0.5000000 0.3055556), wk = 0.0025381 k( 344) = ( -0.5000000 0.5000000 0.2916667), wk = 0.0025381 k( 345) = ( -0.5000000 0.5000000 0.2777778), wk = 0.0025381 k( 346) = ( -0.5000000 0.5000000 0.2638889), wk = 0.0025381 k( 347) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0025381 k( 348) = ( -0.5000000 0.5000000 0.2361111), wk = 0.0025381 k( 349) = ( -0.5000000 0.5000000 0.2222222), wk = 0.0025381 k( 350) = ( -0.5000000 0.5000000 0.2083333), wk = 0.0025381 k( 351) = ( -0.5000000 0.5000000 0.1944444), wk = 0.0025381 k( 352) = ( -0.5000000 0.5000000 0.1805556), wk = 0.0025381 k( 353) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0025381 k( 354) = ( -0.5000000 0.5000000 0.1527778), wk = 0.0025381 k( 355) = ( -0.5000000 0.5000000 0.1388889), wk = 0.0025381 k( 356) = ( -0.5000000 0.5000000 0.1250000), wk = 0.0025381 k( 357) = ( -0.5000000 0.5000000 0.1111111), wk = 0.0025381 k( 358) = ( -0.5000000 0.5000000 0.0972222), wk = 0.0025381 k( 359) = ( -0.5000000 0.5000000 0.0833333), wk = 0.0025381 k( 360) = ( -0.5000000 0.5000000 0.0694444), wk = 0.0025381 k( 361) = ( -0.5000000 0.5000000 0.0555556), wk = 0.0025381 k( 362) = ( -0.5000000 0.5000000 0.0416667), wk = 0.0025381 k( 363) = ( -0.5000000 0.5000000 0.0277778), wk = 0.0025381 k( 364) = ( -0.5000000 0.5000000 0.0138889), wk = 0.0025381 k( 365) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0025381 k( 366) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025381 k( 367) = ( -0.0178571 0.0178571 0.5000000), wk = 0.0025381 k( 368) = ( -0.0357143 0.0357143 0.5000000), wk = 0.0025381 k( 369) = ( -0.0535714 0.0535714 0.5000000), wk = 0.0025381 k( 370) = ( -0.0714286 0.0714286 0.5000000), wk = 0.0025381 k( 371) = ( -0.0892857 0.0892857 0.5000000), wk = 0.0025381 k( 372) = ( -0.1071429 0.1071429 0.5000000), wk = 0.0025381 k( 373) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0025381 k( 374) = ( -0.1428571 0.1428571 0.5000000), wk = 0.0025381 k( 375) = ( -0.1607143 0.1607143 0.5000000), wk = 0.0025381 k( 376) = ( -0.1785714 0.1785714 0.5000000), wk = 0.0025381 k( 377) = ( -0.1964286 0.1964286 0.5000000), wk = 0.0025381 k( 378) = ( -0.2142857 0.2142857 0.5000000), wk = 0.0025381 k( 379) = ( -0.2321429 0.2321429 0.5000000), wk = 0.0025381 k( 380) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0025381 k( 381) = ( -0.2678571 0.2678571 0.5000000), wk = 0.0025381 k( 382) = ( -0.2857143 0.2857143 0.5000000), wk = 0.0025381 k( 383) = ( -0.3035714 0.3035714 0.5000000), wk = 0.0025381 k( 384) = ( -0.3214286 0.3214286 0.5000000), wk = 0.0025381 k( 385) = ( -0.3392857 0.3392857 0.5000000), wk = 0.0025381 k( 386) = ( -0.3571429 0.3571429 0.5000000), wk = 0.0025381 k( 387) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0025381 k( 388) = ( -0.3928571 0.3928571 0.5000000), wk = 0.0025381 k( 389) = ( -0.4107143 0.4107143 0.5000000), wk = 0.0025381 k( 390) = ( -0.4285714 0.4285714 0.5000000), wk = 0.0025381 k( 391) = ( -0.4464286 0.4464286 0.5000000), wk = 0.0025381 k( 392) = ( -0.4642857 0.4642857 0.5000000), wk = 0.0025381 k( 393) = ( -0.4821429 0.4821429 0.5000000), wk = 0.0025381 k( 394) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025381 Dense grid: 56527 G-vectors FFT dimensions: ( 64, 64, 45) Smooth grid: 30739 G-vectors FFT dimensions: ( 54, 54, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 182, 52) NL pseudopotentials 0.19 Mb ( 91, 136) Each V/rho on FFT grid 0.06 Mb ( 4096) Each G-vector array 0.01 Mb ( 1177) G-vector shells 0.00 Mb ( 566) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.58 Mb ( 182, 208) Each subspace H/S matrix 0.66 Mb ( 208, 208) Each matrix 0.22 Mb ( 136, 2, 52) Check: negative/imaginary core charge= -0.000006 0.000000 The potential is recalculated from file : ./CaZn.save/charge-density.dat 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 45.6 secs Computing kpt #: 2 total cpu time spent up to now is 48.8 secs Computing kpt #: 3 total cpu time spent up to now is 51.7 secs Computing kpt #: 4 total cpu time spent up to now is 54.4 secs Computing kpt #: 5 total cpu time spent up to now is 57.4 secs Computing kpt #: 6 total cpu time spent up to now is 61.0 secs Computing kpt #: 7 total cpu time spent up to now is 64.2 secs Computing kpt #: 8 total cpu time spent up to now is 67.4 secs Computing kpt #: 9 total cpu time spent up to now is 71.8 secs Computing kpt #: 10 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 76.2 secs Computing kpt #: 11 total cpu time spent up to now is 79.5 secs Computing kpt #: 12 total cpu time spent up to now is 82.5 secs Computing kpt #: 13 total cpu time spent up to now is 85.2 secs Computing kpt #: 14 total cpu time spent up to now is 87.9 secs Computing kpt #: 15 total cpu time spent up to now is 90.4 secs Computing kpt #: 16 total cpu time spent up to now is 93.3 secs Computing kpt #: 17 total cpu time spent up to now is 96.0 secs Computing kpt #: 18 total cpu time spent up to now is 98.7 secs Computing kpt #: 19 total cpu time spent up to now is 101.5 secs Computing kpt #: 20 total cpu time spent up to now is 104.3 secs Computing kpt #: 21 total cpu time spent up to now is 107.1 secs Computing kpt #: 22 total cpu time spent up to now is 110.4 secs Computing kpt #: 23 total cpu time spent up to now is 113.5 secs Computing kpt #: 24 total cpu time spent up to now is 116.5 secs Computing kpt #: 25 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 121.6 secs Computing kpt #: 26 total cpu time spent up to now is 125.5 secs Computing kpt #: 27 total cpu time spent up to now is 129.8 secs Computing kpt #: 28 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 134.2 secs Computing kpt #: 29 total cpu time spent up to now is 138.7 secs Computing kpt #: 30 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 143.5 secs Computing kpt #: 31 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 148.2 secs Computing kpt #: 32 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 152.8 secs Computing kpt #: 33 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 157.2 secs Computing kpt #: 34 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 161.8 secs Computing kpt #: 35 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 166.0 secs Computing kpt #: 36 total cpu time spent up to now is 170.5 secs Computing kpt #: 37 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 174.9 secs Computing kpt #: 38 total cpu time spent up to now is 178.1 secs Computing kpt #: 39 total cpu time spent up to now is 180.9 secs Computing kpt #: 40 total cpu time spent up to now is 184.0 secs Computing kpt #: 41 total cpu time spent up to now is 186.9 secs Computing kpt #: 42 total cpu time spent up to now is 189.4 secs Computing kpt #: 43 total cpu time spent up to now is 192.0 secs Computing kpt #: 44 total cpu time spent up to now is 194.3 secs Computing kpt #: 45 total cpu time spent up to now is 196.9 secs Computing kpt #: 46 total cpu time spent up to now is 199.3 secs Computing kpt #: 47 total cpu time spent up to now is 201.8 secs Computing kpt #: 48 total cpu time spent up to now is 204.2 secs Computing kpt #: 49 total cpu time spent up to now is 206.7 secs Computing kpt #: 50 total cpu time spent up to now is 209.2 secs Computing kpt #: 51 total cpu time spent up to now is 211.5 secs Computing kpt #: 52 total cpu time spent up to now is 213.8 secs Computing kpt #: 53 total cpu time spent up to now is 216.2 secs Computing kpt #: 54 total cpu time spent up to now is 218.4 secs Computing kpt #: 55 total cpu time spent up to now is 220.8 secs Computing kpt #: 56 total cpu time spent up to now is 222.8 secs Computing kpt #: 57 total cpu time spent up to now is 225.5 secs Computing kpt #: 58 total cpu time spent up to now is 227.7 secs Computing kpt #: 59 total cpu time spent up to now is 230.0 secs Computing kpt #: 60 total cpu time spent up to now is 232.3 secs Computing kpt #: 61 total cpu time spent up to now is 234.7 secs Computing kpt #: 62 total cpu time spent up to now is 237.0 secs Computing kpt #: 63 total cpu time spent up to now is 239.2 secs Computing kpt #: 64 total cpu time spent up to now is 241.4 secs Computing kpt #: 65 total cpu time spent up to now is 243.7 secs Computing kpt #: 66 total cpu time spent up to now is 246.0 secs Computing kpt #: 67 total cpu time spent up to now is 248.1 secs Computing kpt #: 68 total cpu time spent up to now is 250.3 secs Computing kpt #: 69 total cpu time spent up to now is 252.6 secs Computing kpt #: 70 total cpu time spent up to now is 254.8 secs Computing kpt #: 71 total cpu time spent up to now is 257.0 secs Computing kpt #: 72 total cpu time spent up to now is 259.2 secs Computing kpt #: 73 total cpu time spent up to now is 261.5 secs Computing kpt #: 74 total cpu time spent up to now is 263.9 secs Computing kpt #: 75 total cpu time spent up to now is 266.0 secs Computing kpt #: 76 total cpu time spent up to now is 268.0 secs Computing kpt #: 77 total cpu time spent up to now is 270.0 secs Computing kpt #: 78 total cpu time spent up to now is 272.0 secs Computing kpt #: 79 total cpu time spent up to now is 274.2 secs Computing kpt #: 80 total cpu time spent up to now is 276.3 secs Computing kpt #: 81 total cpu time spent up to now is 278.3 secs Computing kpt #: 82 total cpu time spent up to now is 280.1 secs Computing kpt #: 83 total cpu time spent up to now is 282.1 secs Computing kpt #: 84 total cpu time spent up to now is 284.0 secs Computing kpt #: 85 total cpu time spent up to now is 285.9 secs Computing kpt #: 86 total cpu time spent up to now is 287.7 secs Computing kpt #: 87 total cpu time spent up to now is 289.5 secs Computing kpt #: 88 total cpu time spent up to now is 291.5 secs Computing kpt #: 89 total cpu time spent up to now is 293.5 secs Computing kpt #: 90 total cpu time spent up to now is 295.3 secs Computing kpt #: 91 total cpu time spent up to now is 297.0 secs Computing kpt #: 92 total cpu time spent up to now is 298.9 secs Computing kpt #: 93 total cpu time spent up to now is 300.7 secs Computing kpt #: 94 total cpu time spent up to now is 302.5 secs Computing kpt #: 95 total cpu time spent up to now is 304.3 secs Computing kpt #: 96 total cpu time spent up to now is 306.1 secs Computing kpt #: 97 total cpu time spent up to now is 307.9 secs Computing kpt #: 98 total cpu time spent up to now is 309.8 secs Computing kpt #: 99 total cpu time spent up to now is 312.1 secs Computing kpt #: 100 total cpu time spent up to now is 314.0 secs Computing kpt #: 101 total cpu time spent up to now is 315.7 secs Computing kpt #: 102 total cpu time spent up to now is 317.7 secs Computing kpt #: 103 total cpu time spent up to now is 319.5 secs Computing kpt #: 104 total cpu time spent up to now is 321.5 secs Computing kpt #: 105 total cpu time spent up to now is 323.4 secs Computing kpt #: 106 total cpu time spent up to now is 325.2 secs Computing kpt #: 107 total cpu time spent up to now is 327.2 secs Computing kpt #: 108 total cpu time spent up to now is 329.1 secs Computing kpt #: 109 total cpu time spent up to now is 331.0 secs Computing kpt #: 110 total cpu time spent up to now is 332.8 secs Computing kpt #: 111 total cpu time spent up to now is 334.7 secs Computing kpt #: 112 total cpu time spent up to now is 336.5 secs Computing kpt #: 113 total cpu time spent up to now is 338.4 secs Computing kpt #: 114 total cpu time spent up to now is 340.5 secs Computing kpt #: 115 total cpu time spent up to now is 342.5 secs Computing kpt #: 116 total cpu time spent up to now is 344.3 secs Computing kpt #: 117 total cpu time spent up to now is 346.1 secs Computing kpt #: 118 total cpu time spent up to now is 348.1 secs Computing kpt #: 119 total cpu time spent up to now is 349.9 secs Computing kpt #: 120 total cpu time spent up to now is 351.7 secs Computing kpt #: 121 total cpu time spent up to now is 353.5 secs Computing kpt #: 122 total cpu time spent up to now is 355.4 secs Computing kpt #: 123 total cpu time spent up to now is 357.9 secs Computing kpt #: 124 total cpu time spent up to now is 359.8 secs Computing kpt #: 125 total cpu time spent up to now is 361.6 secs Computing kpt #: 126 total cpu time spent up to now is 363.6 secs Computing kpt #: 127 total cpu time spent up to now is 365.6 secs Computing kpt #: 128 total cpu time spent up to now is 367.4 secs Computing kpt #: 129 total cpu time spent up to now is 369.3 secs Computing kpt #: 130 total cpu time spent up to now is 371.0 secs Computing kpt #: 131 total cpu time spent up to now is 372.8 secs Computing kpt #: 132 total cpu time spent up to now is 375.1 secs Computing kpt #: 133 total cpu time spent up to now is 377.0 secs Computing kpt #: 134 total cpu time spent up to now is 378.9 secs Computing kpt #: 135 total cpu time spent up to now is 380.7 secs Computing kpt #: 136 total cpu time spent up to now is 382.5 secs Computing kpt #: 137 total cpu time spent up to now is 384.3 secs Computing kpt #: 138 total cpu time spent up to now is 386.8 secs Computing kpt #: 139 total cpu time spent up to now is 388.6 secs Computing kpt #: 140 total cpu time spent up to now is 390.4 secs Computing kpt #: 141 total cpu time spent up to now is 392.7 secs Computing kpt #: 142 total cpu time spent up to now is 394.5 secs Computing kpt #: 143 total cpu time spent up to now is 396.3 secs Computing kpt #: 144 total cpu time spent up to now is 398.3 secs Computing kpt #: 145 total cpu time spent up to now is 400.2 secs Computing kpt #: 146 total cpu time spent up to now is 401.9 secs Computing kpt #: 147 total cpu time spent up to now is 403.9 secs Computing kpt #: 148 total cpu time spent up to now is 405.7 secs Computing kpt #: 149 total cpu time spent up to now is 407.6 secs Computing kpt #: 150 total cpu time spent up to now is 409.7 secs Computing kpt #: 151 total cpu time spent up to now is 411.6 secs Computing kpt #: 152 total cpu time spent up to now is 413.5 secs Computing kpt #: 153 total cpu time spent up to now is 415.5 secs Computing kpt #: 154 total cpu time spent up to now is 417.6 secs Computing kpt #: 155 total cpu time spent up to now is 419.5 secs Computing kpt #: 156 total cpu time spent up to now is 421.4 secs Computing kpt #: 157 total cpu time spent up to now is 423.4 secs Computing kpt #: 158 total cpu time spent up to now is 425.5 secs Computing kpt #: 159 total cpu time spent up to now is 427.5 secs Computing kpt #: 160 total cpu time spent up to now is 429.4 secs Computing kpt #: 161 total cpu time spent up to now is 431.3 secs Computing kpt #: 162 total cpu time spent up to now is 433.3 secs Computing kpt #: 163 total cpu time spent up to now is 435.6 secs Computing kpt #: 164 total cpu time spent up to now is 437.5 secs Computing kpt #: 165 total cpu time spent up to now is 439.5 secs Computing kpt #: 166 total cpu time spent up to now is 441.5 secs Computing kpt #: 167 total cpu time spent up to now is 443.5 secs Computing kpt #: 168 total cpu time spent up to now is 445.5 secs Computing kpt #: 169 total cpu time spent up to now is 447.5 secs Computing kpt #: 170 total cpu time spent up to now is 449.5 secs Computing kpt #: 171 total cpu time spent up to now is 451.6 secs Computing kpt #: 172 total cpu time spent up to now is 453.6 secs Computing kpt #: 173 total cpu time spent up to now is 455.6 secs Computing kpt #: 174 total cpu time spent up to now is 457.9 secs Computing kpt #: 175 total cpu time spent up to now is 460.1 secs Computing kpt #: 176 total cpu time spent up to now is 462.6 secs Computing kpt #: 177 total cpu time spent up to now is 465.0 secs Computing kpt #: 178 total cpu time spent up to now is 467.6 secs Computing kpt #: 179 total cpu time spent up to now is 470.2 secs Computing kpt #: 180 total cpu time spent up to now is 472.8 secs Computing kpt #: 181 total cpu time spent up to now is 475.5 secs Computing kpt #: 182 total cpu time spent up to now is 478.4 secs Computing kpt #: 183 total cpu time spent up to now is 482.8 secs Computing kpt #: 184 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 487.1 secs Computing kpt #: 185 total cpu time spent up to now is 490.2 secs Computing kpt #: 186 total cpu time spent up to now is 493.0 secs Computing kpt #: 187 total cpu time spent up to now is 496.6 secs Computing kpt #: 188 total cpu time spent up to now is 499.9 secs Computing kpt #: 189 total cpu time spent up to now is 503.3 secs Computing kpt #: 190 total cpu time spent up to now is 506.2 secs Computing kpt #: 191 total cpu time spent up to now is 509.1 secs Computing kpt #: 192 total cpu time spent up to now is 512.0 secs Computing kpt #: 193 total cpu time spent up to now is 515.4 secs Computing kpt #: 194 total cpu time spent up to now is 518.6 secs Computing kpt #: 195 total cpu time spent up to now is 521.6 secs Computing kpt #: 196 total cpu time spent up to now is 524.5 secs Computing kpt #: 197 total cpu time spent up to now is 527.3 secs Computing kpt #: 198 total cpu time spent up to now is 530.0 secs Computing kpt #: 199 total cpu time spent up to now is 533.3 secs Computing kpt #: 200 total cpu time spent up to now is 536.4 secs Computing kpt #: 201 total cpu time spent up to now is 539.3 secs Computing kpt #: 202 total cpu time spent up to now is 542.2 secs Computing kpt #: 203 total cpu time spent up to now is 545.5 secs Computing kpt #: 204 total cpu time spent up to now is 548.4 secs Computing kpt #: 205 total cpu time spent up to now is 551.7 secs Computing kpt #: 206 total cpu time spent up to now is 555.0 secs Computing kpt #: 207 total cpu time spent up to now is 558.2 secs Computing kpt #: 208 total cpu time spent up to now is 561.6 secs Computing kpt #: 209 total cpu time spent up to now is 564.5 secs Computing kpt #: 210 total cpu time spent up to now is 567.8 secs Computing kpt #: 211 total cpu time spent up to now is 571.2 secs Computing kpt #: 212 total cpu time spent up to now is 574.2 secs Computing kpt #: 213 total cpu time spent up to now is 577.0 secs Computing kpt #: 214 total cpu time spent up to now is 579.7 secs Computing kpt #: 215 total cpu time spent up to now is 582.4 secs Computing kpt #: 216 total cpu time spent up to now is 585.1 secs Computing kpt #: 217 total cpu time spent up to now is 587.8 secs Computing kpt #: 218 total cpu time spent up to now is 590.5 secs Computing kpt #: 219 total cpu time spent up to now is 593.3 secs Computing kpt #: 220 total cpu time spent up to now is 596.0 secs Computing kpt #: 221 total cpu time spent up to now is 598.6 secs Computing kpt #: 222 total cpu time spent up to now is 601.2 secs Computing kpt #: 223 total cpu time spent up to now is 603.9 secs Computing kpt #: 224 total cpu time spent up to now is 606.6 secs Computing kpt #: 225 total cpu time spent up to now is 609.4 secs Computing kpt #: 226 total cpu time spent up to now is 612.0 secs Computing kpt #: 227 total cpu time spent up to now is 614.6 secs Computing kpt #: 228 total cpu time spent up to now is 617.4 secs Computing kpt #: 229 total cpu time spent up to now is 620.0 secs Computing kpt #: 230 total cpu time spent up to now is 622.7 secs Computing kpt #: 231 total cpu time spent up to now is 625.4 secs Computing kpt #: 232 total cpu time spent up to now is 628.1 secs Computing kpt #: 233 total cpu time spent up to now is 630.7 secs Computing kpt #: 234 total cpu time spent up to now is 633.4 secs Computing kpt #: 235 total cpu time spent up to now is 636.0 secs Computing kpt #: 236 total cpu time spent up to now is 638.7 secs Computing kpt #: 237 total cpu time spent up to now is 641.4 secs Computing kpt #: 238 total cpu time spent up to now is 644.1 secs Computing kpt #: 239 total cpu time spent up to now is 646.7 secs Computing kpt #: 240 total cpu time spent up to now is 649.4 secs Computing kpt #: 241 total cpu time spent up to now is 652.1 secs Computing kpt #: 242 total cpu time spent up to now is 654.7 secs Computing kpt #: 243 total cpu time spent up to now is 657.3 secs Computing kpt #: 244 total cpu time spent up to now is 660.1 secs Computing kpt #: 245 total cpu time spent up to now is 662.8 secs Computing kpt #: 246 total cpu time spent up to now is 665.4 secs Computing kpt #: 247 total cpu time spent up to now is 668.0 secs Computing kpt #: 248 total cpu time spent up to now is 670.3 secs Computing kpt #: 249 total cpu time spent up to now is 672.9 secs Computing kpt #: 250 total cpu time spent up to now is 675.3 secs Computing kpt #: 251 total cpu time spent up to now is 677.7 secs Computing kpt #: 252 total cpu time spent up to now is 680.1 secs Computing kpt #: 253 total cpu time spent up to now is 682.3 secs Computing kpt #: 254 total cpu time spent up to now is 684.5 secs Computing kpt #: 255 total cpu time spent up to now is 687.3 secs Computing kpt #: 256 total cpu time spent up to now is 689.6 secs Computing kpt #: 257 total cpu time spent up to now is 692.1 secs Computing kpt #: 258 total cpu time spent up to now is 694.4 secs Computing kpt #: 259 total cpu time spent up to now is 696.9 secs Computing kpt #: 260 total cpu time spent up to now is 699.5 secs Computing kpt #: 261 total cpu time spent up to now is 702.0 secs Computing kpt #: 262 total cpu time spent up to now is 704.8 secs Computing kpt #: 263 total cpu time spent up to now is 708.5 secs Computing kpt #: 264 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 712.7 secs Computing kpt #: 265 total cpu time spent up to now is 716.4 secs Computing kpt #: 266 total cpu time spent up to now is 719.4 secs Computing kpt #: 267 total cpu time spent up to now is 722.0 secs Computing kpt #: 268 total cpu time spent up to now is 724.6 secs Computing kpt #: 269 total cpu time spent up to now is 727.1 secs Computing kpt #: 270 total cpu time spent up to now is 729.5 secs Computing kpt #: 271 total cpu time spent up to now is 732.0 secs Computing kpt #: 272 total cpu time spent up to now is 734.2 secs Computing kpt #: 273 total cpu time spent up to now is 736.5 secs Computing kpt #: 274 total cpu time spent up to now is 738.6 secs Computing kpt #: 275 total cpu time spent up to now is 740.8 secs Computing kpt #: 276 total cpu time spent up to now is 742.9 secs Computing kpt #: 277 total cpu time spent up to now is 744.9 secs Computing kpt #: 278 total cpu time spent up to now is 746.9 secs Computing kpt #: 279 total cpu time spent up to now is 748.9 secs Computing kpt #: 280 total cpu time spent up to now is 750.9 secs Computing kpt #: 281 total cpu time spent up to now is 752.9 secs Computing kpt #: 282 total cpu time spent up to now is 754.9 secs Computing kpt #: 283 total cpu time spent up to now is 756.9 secs Computing kpt #: 284 total cpu time spent up to now is 759.1 secs Computing kpt #: 285 total cpu time spent up to now is 760.9 secs Computing kpt #: 286 total cpu time spent up to now is 762.9 secs Computing kpt #: 287 total cpu time spent up to now is 764.8 secs Computing kpt #: 288 total cpu time spent up to now is 766.7 secs Computing kpt #: 289 total cpu time spent up to now is 768.6 secs Computing kpt #: 290 total cpu time spent up to now is 770.7 secs Computing kpt #: 291 total cpu time spent up to now is 772.6 secs Computing kpt #: 292 total cpu time spent up to now is 774.4 secs Computing kpt #: 293 total cpu time spent up to now is 776.6 secs Computing kpt #: 294 total cpu time spent up to now is 778.8 secs Computing kpt #: 295 total cpu time spent up to now is 780.7 secs Computing kpt #: 296 total cpu time spent up to now is 782.5 secs Computing kpt #: 297 total cpu time spent up to now is 784.3 secs Computing kpt #: 298 total cpu time spent up to now is 786.2 secs Computing kpt #: 299 total cpu time spent up to now is 788.1 secs Computing kpt #: 300 total cpu time spent up to now is 790.0 secs Computing kpt #: 301 total cpu time spent up to now is 791.8 secs Computing kpt #: 302 total cpu time spent up to now is 793.7 secs Computing kpt #: 303 total cpu time spent up to now is 795.6 secs Computing kpt #: 304 total cpu time spent up to now is 797.5 secs Computing kpt #: 305 total cpu time spent up to now is 799.8 secs Computing kpt #: 306 total cpu time spent up to now is 801.9 secs Computing kpt #: 307 total cpu time spent up to now is 804.0 secs Computing kpt #: 308 total cpu time spent up to now is 806.1 secs Computing kpt #: 309 total cpu time spent up to now is 808.2 secs Computing kpt #: 310 total cpu time spent up to now is 810.3 secs Computing kpt #: 311 total cpu time spent up to now is 812.5 secs Computing kpt #: 312 total cpu time spent up to now is 814.9 secs Computing kpt #: 313 total cpu time spent up to now is 817.2 secs Computing kpt #: 314 total cpu time spent up to now is 819.7 secs Computing kpt #: 315 total cpu time spent up to now is 822.0 secs Computing kpt #: 316 total cpu time spent up to now is 824.8 secs Computing kpt #: 317 total cpu time spent up to now is 827.4 secs Computing kpt #: 318 total cpu time spent up to now is 830.5 secs Computing kpt #: 319 total cpu time spent up to now is 833.7 secs Computing kpt #: 320 total cpu time spent up to now is 837.0 secs Computing kpt #: 321 total cpu time spent up to now is 839.7 secs Computing kpt #: 322 total cpu time spent up to now is 842.5 secs Computing kpt #: 323 total cpu time spent up to now is 845.2 secs Computing kpt #: 324 total cpu time spent up to now is 847.7 secs Computing kpt #: 325 total cpu time spent up to now is 850.4 secs Computing kpt #: 326 total cpu time spent up to now is 852.7 secs Computing kpt #: 327 total cpu time spent up to now is 855.0 secs Computing kpt #: 328 total cpu time spent up to now is 857.2 secs Computing kpt #: 329 total cpu time spent up to now is 859.5 secs Computing kpt #: 330 total cpu time spent up to now is 862.0 secs Computing kpt #: 331 total cpu time spent up to now is 864.4 secs Computing kpt #: 332 total cpu time spent up to now is 866.8 secs Computing kpt #: 333 total cpu time spent up to now is 869.5 secs Computing kpt #: 334 total cpu time spent up to now is 872.0 secs Computing kpt #: 335 total cpu time spent up to now is 874.6 secs Computing kpt #: 336 total cpu time spent up to now is 877.2 secs Computing kpt #: 337 total cpu time spent up to now is 880.5 secs Computing kpt #: 338 total cpu time spent up to now is 883.9 secs Computing kpt #: 339 total cpu time spent up to now is 886.6 secs Computing kpt #: 340 total cpu time spent up to now is 889.4 secs Computing kpt #: 341 total cpu time spent up to now is 892.2 secs Computing kpt #: 342 total cpu time spent up to now is 896.2 secs Computing kpt #: 343 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 900.3 secs Computing kpt #: 344 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 904.6 secs Computing kpt #: 345 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 909.0 secs Computing kpt #: 346 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 913.3 secs Computing kpt #: 347 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 917.9 secs Computing kpt #: 348 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 922.6 secs Computing kpt #: 349 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 927.1 secs Computing kpt #: 350 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 931.9 secs Computing kpt #: 351 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 936.7 secs Computing kpt #: 352 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 941.3 secs Computing kpt #: 353 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 946.0 secs Computing kpt #: 354 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 950.4 secs Computing kpt #: 355 total cpu time spent up to now is 954.1 secs Computing kpt #: 356 total cpu time spent up to now is 957.8 secs Computing kpt #: 357 total cpu time spent up to now is 960.9 secs Computing kpt #: 358 total cpu time spent up to now is 964.0 secs Computing kpt #: 359 total cpu time spent up to now is 967.3 secs Computing kpt #: 360 total cpu time spent up to now is 970.7 secs Computing kpt #: 361 total cpu time spent up to now is 973.6 secs Computing kpt #: 362 total cpu time spent up to now is 976.7 secs Computing kpt #: 363 total cpu time spent up to now is 979.7 secs Computing kpt #: 364 total cpu time spent up to now is 982.7 secs Computing kpt #: 365 total cpu time spent up to now is 985.5 secs Computing kpt #: 366 total cpu time spent up to now is 987.4 secs Computing kpt #: 367 total cpu time spent up to now is 989.3 secs Computing kpt #: 368 total cpu time spent up to now is 991.2 secs Computing kpt #: 369 total cpu time spent up to now is 993.2 secs Computing kpt #: 370 total cpu time spent up to now is 995.1 secs Computing kpt #: 371 total cpu time spent up to now is 997.0 secs Computing kpt #: 372 total cpu time spent up to now is 998.9 secs Computing kpt #: 373 total cpu time spent up to now is 1000.8 secs Computing kpt #: 374 total cpu time spent up to now is 1002.9 secs Computing kpt #: 375 total cpu time spent up to now is 1004.8 secs Computing kpt #: 376 total cpu time spent up to now is 1006.8 secs Computing kpt #: 377 total cpu time spent up to now is 1008.9 secs Computing kpt #: 378 total cpu time spent up to now is 1011.0 secs Computing kpt #: 379 total cpu time spent up to now is 1013.0 secs Computing kpt #: 380 total cpu time spent up to now is 1015.0 secs Computing kpt #: 381 total cpu time spent up to now is 1017.1 secs Computing kpt #: 382 total cpu time spent up to now is 1019.2 secs Computing kpt #: 383 total cpu time spent up to now is 1021.2 secs Computing kpt #: 384 total cpu time spent up to now is 1023.3 secs Computing kpt #: 385 total cpu time spent up to now is 1025.8 secs Computing kpt #: 386 total cpu time spent up to now is 1027.9 secs Computing kpt #: 387 total cpu time spent up to now is 1030.1 secs Computing kpt #: 388 total cpu time spent up to now is 1032.3 secs Computing kpt #: 389 total cpu time spent up to now is 1034.6 secs Computing kpt #: 390 total cpu time spent up to now is 1037.3 secs Computing kpt #: 391 total cpu time spent up to now is 1039.6 secs Computing kpt #: 392 total cpu time spent up to now is 1041.9 secs Computing kpt #: 393 total cpu time spent up to now is 1044.1 secs Computing kpt #: 394 total cpu time spent up to now is 1046.4 secs ethr = 2.27E-11, avg # of iterations = 46.2 total cpu time spent up to now is 1046.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3877 PWs) bands (ev): -34.7124 -34.7124 -34.7000 -34.7000 -15.9823 -15.9823 -15.9272 -15.9272 -15.6218 -15.6218 -15.5835 -15.5835 -15.5486 -15.5486 -15.5458 -15.5458 -0.4962 -0.4962 -0.4346 -0.4346 -0.4290 -0.4290 -0.3969 -0.3969 -0.1103 -0.1103 -0.0990 -0.0990 0.0285 0.0285 0.0446 0.0446 0.0941 0.0941 0.1688 0.1688 0.3444 0.3444 4.2511 4.2511 5.8859 5.8859 7.5642 7.5642 7.6018 7.6018 8.0223 8.0223 8.7977 8.7977 9.2359 9.2359 k = 0.0066 0.0182-0.0000 ( 3873 PWs) bands (ev): -34.7124 -34.7124 -34.7000 -34.7000 -15.9823 -15.9823 -15.9272 -15.9272 -15.6218 -15.6218 -15.5836 -15.5836 -15.5486 -15.5486 -15.5459 -15.5459 -0.4961 -0.4961 -0.4346 -0.4346 -0.4290 -0.4290 -0.3968 -0.3968 -0.1103 -0.1103 -0.0989 -0.0989 0.0287 0.0287 0.0446 0.0446 0.0943 0.0943 0.1687 0.1687 0.3455 0.3455 4.2525 4.2525 5.8855 5.8855 7.5642 7.5642 7.6020 7.6020 8.0096 8.0096 8.8093 8.8093 9.2337 9.2337 k = 0.0132 0.0363-0.0000 ( 3875 PWs) bands (ev): -34.7123 -34.7123 -34.7000 -34.7000 -15.9823 -15.9823 -15.9273 -15.9273 -15.6218 -15.6218 -15.5837 -15.5837 -15.5486 -15.5486 -15.5460 -15.5460 -0.4960 -0.4960 -0.4346 -0.4346 -0.4289 -0.4289 -0.3969 -0.3969 -0.1104 -0.1104 -0.0985 -0.0985 0.0289 0.0289 0.0448 0.0448 0.0948 0.0948 0.1686 0.1686 0.3486 0.3486 4.2564 4.2564 5.8842 5.8842 7.5640 7.5640 7.6024 7.6024 7.9735 7.9735 8.8416 8.8416 9.2271 9.2271 k = 0.0197 0.0545-0.0000 ( 3871 PWs) bands (ev): -34.7123 -34.7123 -34.7000 -34.7000 -15.9823 -15.9823 -15.9275 -15.9275 -15.6217 -15.6217 -15.5839 -15.5839 -15.5486 -15.5486 -15.5463 -15.5463 -0.4958 -0.4958 -0.4345 -0.4345 -0.4289 -0.4289 -0.3969 -0.3969 -0.1105 -0.1105 -0.0980 -0.0980 0.0294 0.0294 0.0450 0.0450 0.0958 0.0958 0.1686 0.1686 0.3540 0.3540 4.2629 4.2629 5.8820 5.8820 7.5638 7.5638 7.6029 7.6029 7.9192 7.9192 8.8900 8.8900 9.2165 9.2165 k = 0.0263 0.0727-0.0000 ( 3867 PWs) bands (ev): -34.7123 -34.7123 -34.7000 -34.7000 -15.9822 -15.9822 -15.9277 -15.9277 -15.6215 -15.6215 -15.5842 -15.5842 -15.5486 -15.5486 -15.5466 -15.5466 -0.4955 -0.4955 -0.4344 -0.4344 -0.4288 -0.4288 -0.3969 -0.3969 -0.1107 -0.1107 -0.0973 -0.0973 0.0300 0.0300 0.0453 0.0453 0.0971 0.0971 0.1685 0.1685 0.3615 0.3615 4.2720 4.2720 5.8787 5.8787 7.5634 7.5634 7.6033 7.6033 7.8520 7.8520 8.9493 8.9493 9.2026 9.2026 k = 0.0329 0.0908-0.0000 ( 3859 PWs) bands (ev): -34.7122 -34.7122 -34.7000 -34.7000 -15.9822 -15.9822 -15.9280 -15.9280 -15.6214 -15.6214 -15.5844 -15.5844 -15.5487 -15.5487 -15.5470 -15.5470 -0.4950 -0.4950 -0.4343 -0.4343 -0.4287 -0.4287 -0.3969 -0.3969 -0.1109 -0.1109 -0.0965 -0.0965 0.0309 0.0309 0.0458 0.0458 0.0986 0.0986 0.1683 0.1683 0.3713 0.3713 4.2837 4.2837 5.8740 5.8740 7.5627 7.5627 7.6033 7.6033 7.7763 7.7763 9.0156 9.0156 9.1859 9.1859 k = 0.0395 0.1090-0.0000 ( 3857 PWs) bands (ev): -34.7121 -34.7121 -34.7000 -34.7000 -15.9822 -15.9822 -15.9284 -15.9284 -15.6212 -15.6212 -15.5848 -15.5848 -15.5487 -15.5487 -15.5475 -15.5475 -0.4945 -0.4945 -0.4342 -0.4342 -0.4286 -0.4286 -0.3969 -0.3969 -0.1112 -0.1112 -0.0956 -0.0956 0.0318 0.0318 0.0463 0.0463 0.1004 0.1004 0.1682 0.1682 0.3835 0.3835 4.2980 4.2980 5.8676 5.8676 7.5618 7.5618 7.6024 7.6024 7.6956 7.6956 9.0861 9.0861 9.1674 9.1674 k = 0.0460 0.1272-0.0000 ( 3859 PWs) bands (ev): -34.7120 -34.7120 -34.7000 -34.7000 -15.9821 -15.9821 -15.9289 -15.9289 -15.6209 -15.6209 -15.5853 -15.5853 -15.5490 -15.5490 -15.5480 -15.5480 -0.4940 -0.4940 -0.4340 -0.4340 -0.4284 -0.4284 -0.3969 -0.3969 -0.1116 -0.1116 -0.0947 -0.0947 0.0330 0.0330 0.0467 0.0467 0.1023 0.1023 0.1680 0.1680 0.3982 0.3982 4.3148 4.3148 5.8593 5.8593 7.5604 7.5604 7.5972 7.5972 7.6152 7.6152 9.1471 9.1471 9.1597 9.1597 k = 0.0526 0.1453-0.0000 ( 3855 PWs) bands (ev): -34.7119 -34.7119 -34.7000 -34.7000 -15.9821 -15.9821 -15.9295 -15.9295 -15.6207 -15.6207 -15.5858 -15.5858 -15.5495 -15.5495 -15.5482 -15.5482 -0.4934 -0.4934 -0.4339 -0.4339 -0.4282 -0.4282 -0.3969 -0.3969 -0.1119 -0.1119 -0.0937 -0.0937 0.0343 0.0343 0.0472 0.0472 0.1043 0.1043 0.1678 0.1678 0.4154 0.4154 4.3340 4.3340 5.8485 5.8485 7.5260 7.5260 7.5586 7.5586 7.5981 7.5981 9.1276 9.1276 9.2332 9.2332 k = 0.0592 0.1635-0.0000 ( 3853 PWs) bands (ev): -34.7118 -34.7118 -34.7001 -34.7001 -15.9820 -15.9820 -15.9301 -15.9301 -15.6204 -15.6204 -15.5863 -15.5863 -15.5502 -15.5502 -15.5484 -15.5484 -0.4928 -0.4928 -0.4337 -0.4337 -0.4281 -0.4281 -0.3969 -0.3969 -0.1123 -0.1123 -0.0928 -0.0928 0.0357 0.0357 0.0478 0.0478 0.1064 0.1064 0.1675 0.1675 0.4352 0.4352 4.3558 4.3558 5.8346 5.8346 7.4428 7.4428 7.5559 7.5559 7.5916 7.5916 9.1079 9.1079 9.2658 9.2658 k = 0.0658 0.1817-0.0000 ( 3849 PWs) bands (ev): -34.7117 -34.7117 -34.7001 -34.7001 -15.9819 -15.9819 -15.9307 -15.9307 -15.6201 -15.6201 -15.5869 -15.5869 -15.5511 -15.5511 -15.5484 -15.5484 -0.4920 -0.4920 -0.4334 -0.4334 -0.4279 -0.4279 -0.3970 -0.3970 -0.1127 -0.1127 -0.0920 -0.0920 0.0373 0.0373 0.0484 0.0484 0.1085 0.1085 0.1672 0.1672 0.4577 0.4577 4.3800 4.3800 5.8170 5.8170 7.3617 7.3617 7.5522 7.5522 7.5824 7.5824 9.0891 9.0891 9.2211 9.2211 k = 0.0723 0.1998-0.0000 ( 3841 PWs) bands (ev): -34.7115 -34.7115 -34.7001 -34.7001 -15.9819 -15.9819 -15.9314 -15.9314 -15.6197 -15.6197 -15.5876 -15.5876 -15.5521 -15.5521 -15.5485 -15.5485 -0.4913 -0.4913 -0.4332 -0.4332 -0.4276 -0.4276 -0.3970 -0.3970 -0.1132 -0.1132 -0.0911 -0.0911 0.0390 0.0390 0.0490 0.0490 0.1105 0.1105 0.1669 0.1669 0.4829 0.4829 4.4065 4.4065 5.7951 5.7951 7.2841 7.2841 7.5465 7.5465 7.5703 7.5703 9.0719 9.0719 9.1785 9.1785 k = 0.0789 0.2180-0.0000 ( 3845 PWs) bands (ev): -34.7114 -34.7114 -34.7001 -34.7001 -15.9818 -15.9818 -15.9322 -15.9322 -15.6194 -15.6194 -15.5883 -15.5883 -15.5531 -15.5531 -15.5485 -15.5485 -0.4906 -0.4906 -0.4329 -0.4329 -0.4275 -0.4275 -0.3971 -0.3971 -0.1137 -0.1137 -0.0904 -0.0904 0.0407 0.0407 0.0496 0.0496 0.1125 0.1125 0.1666 0.1666 0.5107 0.5107 4.4353 4.4353 5.7680 5.7680 7.2114 7.2114 7.5360 7.5360 7.5571 7.5571 9.0566 9.0566 9.1396 9.1396 k = 0.0855 0.2362-0.0000 ( 3839 PWs) bands (ev): -34.7112 -34.7112 -34.7002 -34.7002 -15.9817 -15.9817 -15.9330 -15.9330 -15.6190 -15.6190 -15.5889 -15.5889 -15.5542 -15.5542 -15.5486 -15.5486 -0.4898 -0.4898 -0.4326 -0.4326 -0.4273 -0.4273 -0.3972 -0.3972 -0.1142 -0.1142 -0.0898 -0.0898 0.0426 0.0426 0.0503 0.0503 0.1143 0.1143 0.1663 0.1663 0.5413 0.5413 4.4663 4.4663 5.7352 5.7352 7.1448 7.1448 7.5157 7.5157 7.5469 7.5469 9.0437 9.0437 9.1056 9.1056 k = 0.0921 0.2544-0.0000 ( 3835 PWs) bands (ev): -34.7110 -34.7110 -34.7002 -34.7002 -15.9816 -15.9816 -15.9339 -15.9339 -15.6186 -15.6186 -15.5896 -15.5896 -15.5554 -15.5554 -15.5487 -15.5487 -0.4889 -0.4889 -0.4322 -0.4322 -0.4271 -0.4271 -0.3973 -0.3973 -0.1148 -0.1148 -0.0892 -0.0892 0.0444 0.0444 0.0510 0.0510 0.1161 0.1161 0.1659 0.1659 0.5744 0.5744 4.4995 4.4995 5.6961 5.6961 7.0853 7.0853 7.4861 7.4861 7.5387 7.5387 9.0335 9.0335 9.0775 9.0775 k = 0.0986 0.2725-0.0000 ( 3831 PWs) bands (ev): -34.7109 -34.7109 -34.7002 -34.7002 -15.9815 -15.9815 -15.9348 -15.9348 -15.6182 -15.6182 -15.5903 -15.5903 -15.5566 -15.5566 -15.5488 -15.5488 -0.4881 -0.4881 -0.4318 -0.4318 -0.4269 -0.4269 -0.3974 -0.3974 -0.1153 -0.1153 -0.0888 -0.0888 0.0463 0.0463 0.0519 0.0519 0.1177 0.1177 0.1656 0.1656 0.6101 0.6101 4.5346 4.5346 5.6504 5.6504 7.0335 7.0335 7.4485 7.4485 7.5305 7.5305 9.0263 9.0263 9.0562 9.0562 k = 0.1052 0.2907-0.0000 ( 3835 PWs) bands (ev): -34.7107 -34.7107 -34.7003 -34.7003 -15.9814 -15.9814 -15.9358 -15.9358 -15.6178 -15.6178 -15.5910 -15.5910 -15.5578 -15.5578 -15.5490 -15.5490 -0.4873 -0.4873 -0.4315 -0.4315 -0.4267 -0.4267 -0.3975 -0.3975 -0.1159 -0.1159 -0.0885 -0.0885 0.0479 0.0479 0.0529 0.0529 0.1191 0.1191 0.1652 0.1652 0.6482 0.6482 4.5717 4.5717 5.5978 5.5978 6.9900 6.9900 7.4035 7.4035 7.5217 7.5217 9.0223 9.0223 9.0421 9.0421 k = 0.1118 0.3089-0.0000 ( 3839 PWs) bands (ev): -34.7105 -34.7105 -34.7003 -34.7003 -15.9813 -15.9813 -15.9368 -15.9368 -15.6174 -15.6174 -15.5917 -15.5917 -15.5591 -15.5591 -15.5491 -15.5491 -0.4865 -0.4865 -0.4311 -0.4311 -0.4265 -0.4265 -0.3977 -0.3977 -0.1166 -0.1166 -0.0882 -0.0882 0.0493 0.0493 0.0542 0.0542 0.1205 0.1205 0.1648 0.1648 0.6887 0.6887 4.6105 4.6105 5.5388 5.5388 6.9548 6.9548 7.3516 7.3516 7.5120 7.5120 9.0216 9.0216 9.0352 9.0352 k = 0.1184 0.3270-0.0000 ( 3845 PWs) bands (ev): -34.7103 -34.7103 -34.7004 -34.7004 -15.9812 -15.9812 -15.9379 -15.9379 -15.6171 -15.6171 -15.5924 -15.5924 -15.5604 -15.5604 -15.5494 -15.5494 -0.4857 -0.4857 -0.4307 -0.4307 -0.4263 -0.4263 -0.3979 -0.3979 -0.1172 -0.1172 -0.0881 -0.0881 0.0505 0.0505 0.0559 0.0559 0.1217 0.1217 0.1643 0.1643 0.7314 0.7314 4.6507 4.6507 5.4737 5.4737 6.9277 6.9277 7.2932 7.2932 7.5015 7.5015 9.0242 9.0242 9.0355 9.0355 k = 0.1249 0.3452-0.0000 ( 3845 PWs) bands (ev): -34.7101 -34.7101 -34.7005 -34.7005 -15.9810 -15.9810 -15.9390 -15.9390 -15.6167 -15.6167 -15.5930 -15.5930 -15.5616 -15.5616 -15.5496 -15.5496 -0.4849 -0.4849 -0.4303 -0.4303 -0.4262 -0.4262 -0.3980 -0.3980 -0.1179 -0.1179 -0.0879 -0.0879 0.0514 0.0514 0.0578 0.0578 0.1228 0.1228 0.1639 0.1639 0.7762 0.7762 4.6923 4.6923 5.4034 5.4034 6.9083 6.9083 7.2293 7.2293 7.4900 7.4900 9.0303 9.0303 9.0424 9.0424 k = 0.1315 0.3634-0.0000 ( 3837 PWs) bands (ev): -34.7099 -34.7099 -34.7005 -34.7005 -15.9808 -15.9808 -15.9401 -15.9401 -15.6163 -15.6163 -15.5936 -15.5936 -15.5628 -15.5628 -15.5498 -15.5498 -0.4841 -0.4841 -0.4298 -0.4298 -0.4260 -0.4260 -0.3982 -0.3982 -0.1185 -0.1185 -0.0879 -0.0879 0.0521 0.0521 0.0599 0.0599 0.1238 0.1238 0.1635 0.1635 0.8230 0.8230 4.7349 4.7349 5.3287 5.3287 6.8960 6.8960 7.1607 7.1607 7.4778 7.4778 9.0398 9.0398 9.0552 9.0552 k = 0.1381 0.3815-0.0000 ( 3845 PWs) bands (ev): -34.7097 -34.7097 -34.7006 -34.7006 -15.9807 -15.9807 -15.9412 -15.9412 -15.6159 -15.6159 -15.5942 -15.5942 -15.5640 -15.5640 -15.5501 -15.5501 -0.4834 -0.4834 -0.4294 -0.4294 -0.4258 -0.4258 -0.3984 -0.3984 -0.1192 -0.1192 -0.0879 -0.0879 0.0527 0.0527 0.0620 0.0620 0.1247 0.1247 0.1630 0.1630 0.8714 0.8714 4.7781 4.7781 5.2507 5.2507 6.8901 6.8901 7.0885 7.0885 7.4648 7.4648 9.0526 9.0526 9.0730 9.0730 k = 0.1447 0.3997-0.0000 ( 3849 PWs) bands (ev): -34.7094 -34.7094 -34.7007 -34.7007 -15.9805 -15.9805 -15.9424 -15.9424 -15.6155 -15.6155 -15.5948 -15.5948 -15.5652 -15.5652 -15.5505 -15.5505 -0.4826 -0.4826 -0.4290 -0.4290 -0.4256 -0.4256 -0.3986 -0.3986 -0.1198 -0.1198 -0.0880 -0.0880 0.0533 0.0533 0.0642 0.0642 0.1255 0.1255 0.1626 0.1626 0.9214 0.9214 4.8214 4.8214 5.1703 5.1703 6.8899 6.8899 7.0140 7.0140 7.4512 7.4512 9.0687 9.0687 9.0951 9.0951 k = 0.1512 0.4179-0.0000 ( 3847 PWs) bands (ev): -34.7092 -34.7092 -34.7008 -34.7008 -15.9802 -15.9802 -15.9435 -15.9435 -15.6151 -15.6151 -15.5953 -15.5953 -15.5663 -15.5663 -15.5508 -15.5508 -0.4819 -0.4819 -0.4286 -0.4286 -0.4254 -0.4254 -0.3989 -0.3989 -0.1205 -0.1205 -0.0881 -0.0881 0.0538 0.0538 0.0663 0.0663 0.1262 0.1262 0.1622 0.1622 0.9726 0.9726 4.8643 4.8643 5.0886 5.0886 6.8941 6.8941 6.9389 6.9389 7.4372 7.4372 9.0878 9.0878 9.1203 9.1203 k = 0.1578 0.4360-0.0000 ( 3845 PWs) bands (ev): -34.7090 -34.7090 -34.7008 -34.7008 -15.9799 -15.9799 -15.9447 -15.9447 -15.6147 -15.6147 -15.5958 -15.5958 -15.5674 -15.5674 -15.5512 -15.5512 -0.4812 -0.4812 -0.4282 -0.4282 -0.4251 -0.4251 -0.3991 -0.3991 -0.1211 -0.1211 -0.0882 -0.0882 0.0543 0.0543 0.0685 0.0685 0.1269 0.1269 0.1617 0.1617 1.0250 1.0250 4.9057 4.9057 5.0069 5.0069 6.8612 6.8612 6.9058 6.9058 7.4229 7.4229 9.1100 9.1100 9.1413 9.1414 k = 0.1644 0.4542-0.0000 ( 3847 PWs) bands (ev): -34.7088 -34.7088 -34.7009 -34.7009 -15.9796 -15.9796 -15.9459 -15.9459 -15.6144 -15.6144 -15.5962 -15.5962 -15.5685 -15.5685 -15.5516 -15.5516 -0.4805 -0.4805 -0.4280 -0.4280 -0.4248 -0.4248 -0.3993 -0.3993 -0.1217 -0.1217 -0.0884 -0.0884 0.0547 0.0547 0.0705 0.0705 0.1275 0.1275 0.1613 0.1613 1.0780 1.0780 4.9195 4.9195 4.9513 4.9513 6.7883 6.7883 6.9183 6.9183 7.4084 7.4084 9.1081 9.1081 9.1349 9.1349 k = 0.1710 0.4724-0.0000 ( 3843 PWs) bands (ev): -34.7085 -34.7085 -34.7010 -34.7010 -15.9793 -15.9793 -15.9470 -15.9470 -15.6140 -15.6140 -15.5966 -15.5966 -15.5694 -15.5694 -15.5520 -15.5520 -0.4798 -0.4798 -0.4277 -0.4277 -0.4245 -0.4245 -0.3996 -0.3996 -0.1223 -0.1223 -0.0886 -0.0886 0.0552 0.0552 0.0725 0.0725 0.1280 0.1280 0.1609 0.1609 1.1314 1.1314 4.8424 4.8424 4.9847 4.9847 6.7181 6.7181 6.9349 6.9349 7.3938 7.3938 9.0762 9.0762 9.1625 9.1625 k = 0.1775 0.4905-0.0000 ( 3847 PWs) bands (ev): -34.7083 -34.7083 -34.7011 -34.7011 -15.9789 -15.9789 -15.9482 -15.9482 -15.6137 -15.6137 -15.5970 -15.5970 -15.5703 -15.5703 -15.5525 -15.5525 -0.4792 -0.4792 -0.4275 -0.4275 -0.4242 -0.4242 -0.3999 -0.3999 -0.1229 -0.1229 -0.0888 -0.0888 0.0556 0.0556 0.0744 0.0744 0.1285 0.1285 0.1605 0.1605 1.1849 1.1849 4.7643 4.7643 5.0170 5.0170 6.6531 6.6531 6.9547 6.9547 7.3794 7.3794 9.0463 9.0463 9.1924 9.1924 k = 0.1841 0.5087-0.0000 ( 3847 PWs) bands (ev): -34.7081 -34.7081 -34.7013 -34.7013 -15.9786 -15.9786 -15.9493 -15.9493 -15.6133 -15.6133 -15.5974 -15.5974 -15.5711 -15.5711 -15.5529 -15.5529 -0.4786 -0.4786 -0.4273 -0.4273 -0.4238 -0.4238 -0.4001 -0.4001 -0.1235 -0.1235 -0.0891 -0.0891 0.0560 0.0560 0.0761 0.0761 0.1288 0.1288 0.1601 0.1601 1.2380 1.2380 4.6888 4.6888 5.0435 5.0435 6.5953 6.5953 6.9771 6.9771 7.3651 7.3651 9.0185 9.0185 9.2246 9.2246 k = 0.1907 0.5269-0.0000 ( 3847 PWs) bands (ev): -34.7078 -34.7078 -34.7014 -34.7014 -15.9782 -15.9782 -15.9505 -15.9505 -15.6130 -15.6130 -15.5977 -15.5977 -15.5718 -15.5718 -15.5534 -15.5534 -0.4781 -0.4781 -0.4272 -0.4272 -0.4234 -0.4234 -0.4003 -0.4003 -0.1240 -0.1240 -0.0893 -0.0893 0.0563 0.0563 0.0778 0.0778 0.1292 0.1292 0.1598 0.1598 1.2902 1.2902 4.6170 4.6170 5.0624 5.0624 6.5468 6.5468 7.0020 7.0020 7.3513 7.3513 8.9928 8.9928 9.2588 9.2588 k = 0.1973 0.5450-0.0000 ( 3847 PWs) bands (ev): -34.7076 -34.7076 -34.7015 -34.7015 -15.9777 -15.9777 -15.9516 -15.9516 -15.6127 -15.6127 -15.5980 -15.5980 -15.5724 -15.5724 -15.5539 -15.5539 -0.4776 -0.4776 -0.4271 -0.4271 -0.4230 -0.4230 -0.4006 -0.4006 -0.1245 -0.1245 -0.0896 -0.0896 0.0567 0.0567 0.0792 0.0792 0.1294 0.1294 0.1595 0.1595 1.3410 1.3410 4.5496 4.5496 5.0719 5.0719 6.5096 6.5096 7.0289 7.0289 7.3379 7.3379 8.9694 8.9694 9.2948 9.2948 k = 0.2038 0.5632-0.0000 ( 3839 PWs) bands (ev): -34.7074 -34.7074 -34.7017 -34.7017 -15.9772 -15.9772 -15.9526 -15.9526 -15.6123 -15.6123 -15.5982 -15.5982 -15.5729 -15.5729 -15.5544 -15.5544 -0.4771 -0.4771 -0.4270 -0.4270 -0.4226 -0.4226 -0.4008 -0.4008 -0.1249 -0.1249 -0.0898 -0.0898 0.0570 0.0570 0.0806 0.0806 0.1296 0.1296 0.1592 0.1592 1.3899 1.3899 4.4874 4.4874 5.0704 5.0704 6.4856 6.4856 7.0576 7.0576 7.3251 7.3251 8.9480 8.9480 9.3323 9.3323 k = 0.2104 0.5814-0.0000 ( 3847 PWs) bands (ev): -34.7072 -34.7072 -34.7018 -34.7018 -15.9767 -15.9767 -15.9537 -15.9537 -15.6120 -15.6120 -15.5985 -15.5985 -15.5733 -15.5733 -15.5550 -15.5550 -0.4767 -0.4767 -0.4270 -0.4270 -0.4222 -0.4222 -0.4010 -0.4010 -0.1253 -0.1253 -0.0900 -0.0900 0.0573 0.0573 0.0817 0.0817 0.1298 0.1298 0.1588 0.1588 1.4362 1.4362 4.4314 4.4314 5.0571 5.0571 6.4760 6.4760 7.0880 7.0880 7.3130 7.3130 8.9289 8.9289 9.3644 9.3645 k = 0.2170 0.5995-0.0000 ( 3843 PWs) bands (ev): -34.7069 -34.7069 -34.7020 -34.7020 -15.9761 -15.9761 -15.9547 -15.9547 -15.6117 -15.6117 -15.5987 -15.5987 -15.5736 -15.5736 -15.5555 -15.5555 -0.4763 -0.4763 -0.4269 -0.4269 -0.4218 -0.4218 -0.4012 -0.4012 -0.1257 -0.1257 -0.0903 -0.0903 0.0576 0.0576 0.0827 0.0827 0.1299 0.1299 0.1586 0.1586 1.4793 1.4793 4.3822 4.3822 5.0317 5.0317 6.4812 6.4812 7.1198 7.1198 7.3017 7.3017 8.9121 8.9121 9.3846 9.3846 k = 0.2236 0.6177-0.0000 ( 3849 PWs) bands (ev): -34.7067 -34.7067 -34.7021 -34.7021 -15.9755 -15.9755 -15.9557 -15.9557 -15.6113 -15.6113 -15.5989 -15.5989 -15.5738 -15.5738 -15.5561 -15.5561 -0.4760 -0.4760 -0.4269 -0.4269 -0.4215 -0.4215 -0.4014 -0.4014 -0.1260 -0.1260 -0.0905 -0.0905 0.0578 0.0578 0.0835 0.0835 0.1299 0.1299 0.1584 0.1584 1.5185 1.5185 4.3407 4.3407 4.9946 4.9946 6.5007 6.5007 7.1527 7.1527 7.2913 7.2913 8.8974 8.8974 9.4028 9.4028 k = 0.2301 0.6359-0.0000 ( 3847 PWs) bands (ev): -34.7065 -34.7065 -34.7023 -34.7023 -15.9749 -15.9749 -15.9566 -15.9566 -15.6109 -15.6109 -15.5990 -15.5990 -15.5740 -15.5740 -15.5567 -15.5567 -0.4757 -0.4757 -0.4269 -0.4269 -0.4212 -0.4212 -0.4016 -0.4016 -0.1263 -0.1263 -0.0906 -0.0906 0.0580 0.0580 0.0842 0.0842 0.1299 0.1299 0.1582 0.1582 1.5532 1.5532 4.3077 4.3077 4.9473 4.9473 6.5335 6.5335 7.1864 7.1864 7.2822 7.2822 8.8850 8.8850 9.4194 9.4194 k = 0.2367 0.6540-0.0000 ( 3851 PWs) bands (ev): -34.7063 -34.7063 -34.7025 -34.7025 -15.9742 -15.9742 -15.9575 -15.9575 -15.6106 -15.6106 -15.5991 -15.5991 -15.5741 -15.5741 -15.5573 -15.5573 -0.4755 -0.4755 -0.4269 -0.4269 -0.4209 -0.4209 -0.4018 -0.4018 -0.1265 -0.1265 -0.0908 -0.0908 0.0582 0.0582 0.0846 0.0846 0.1299 0.1299 0.1580 0.1580 1.5827 1.5827 4.2839 4.2839 4.8911 4.8911 6.5782 6.5782 7.2197 7.2197 7.2753 7.2753 8.8748 8.8748 9.4005 9.4005 k = 0.2433 0.6722-0.0000 ( 3843 PWs) bands (ev): -34.7061 -34.7061 -34.7026 -34.7026 -15.9735 -15.9735 -15.9583 -15.9583 -15.6102 -15.6102 -15.5990 -15.5990 -15.5741 -15.5741 -15.5578 -15.5578 -0.4753 -0.4753 -0.4269 -0.4269 -0.4206 -0.4206 -0.4018 -0.4018 -0.1266 -0.1266 -0.0909 -0.0909 0.0583 0.0583 0.0849 0.0849 0.1298 0.1298 0.1579 0.1579 1.6064 1.6064 4.2700 4.2700 4.8278 4.8278 6.6331 6.6331 7.2464 7.2464 7.2768 7.2768 8.8668 8.8668 9.3390 9.3390 k = 0.2499 0.6904-0.0000 ( 3841 PWs) bands (ev): -34.7059 -34.7059 -34.7028 -34.7028 -15.9728 -15.9728 -15.9591 -15.9591 -15.6098 -15.6098 -15.5990 -15.5990 -15.5740 -15.5740 -15.5584 -15.5584 -0.4751 -0.4751 -0.4269 -0.4269 -0.4203 -0.4203 -0.4019 -0.4019 -0.1267 -0.1267 -0.0910 -0.0910 0.0584 0.0584 0.0849 0.0849 0.1296 0.1296 0.1578 0.1578 1.6240 1.6240 4.2663 4.2663 4.7589 4.7589 6.6967 6.6967 7.2508 7.2508 7.3022 7.3022 8.8611 8.8611 9.2770 9.2770 k = 0.2564 0.7086-0.0000 ( 3845 PWs) bands (ev): -34.7057 -34.7057 -34.7030 -34.7030 -15.9720 -15.9720 -15.9599 -15.9599 -15.6095 -15.6095 -15.5989 -15.5989 -15.5740 -15.5740 -15.5590 -15.5590 -0.4750 -0.4750 -0.4269 -0.4269 -0.4201 -0.4201 -0.4020 -0.4020 -0.1267 -0.1267 -0.0911 -0.0911 0.0584 0.0584 0.0848 0.0848 0.1294 0.1294 0.1577 0.1577 1.6351 1.6351 4.2733 4.2733 4.6858 4.6858 6.7676 6.7676 7.2470 7.2470 7.3371 7.3371 8.8576 8.8576 9.2150 9.2150 k = 0.2630 0.7267-0.0000 ( 3843 PWs) bands (ev): -34.7056 -34.7056 -34.7032 -34.7032 -15.9712 -15.9712 -15.9605 -15.9605 -15.6091 -15.6091 -15.5987 -15.5987 -15.5738 -15.5738 -15.5595 -15.5595 -0.4750 -0.4750 -0.4269 -0.4269 -0.4200 -0.4200 -0.4021 -0.4021 -0.1267 -0.1267 -0.0912 -0.0912 0.0585 0.0585 0.0845 0.0845 0.1291 0.1291 0.1577 0.1577 1.6398 1.6398 4.2911 4.2911 4.6098 4.6098 6.8446 6.8446 7.2429 7.2429 7.3738 7.3738 8.8564 8.8564 9.1534 9.1534 k = 0.2696 0.7449-0.0000 ( 3831 PWs) bands (ev): -34.7054 -34.7054 -34.7034 -34.7034 -15.9704 -15.9704 -15.9611 -15.9611 -15.6086 -15.6086 -15.5984 -15.5984 -15.5737 -15.5737 -15.5600 -15.5600 -0.4750 -0.4750 -0.4269 -0.4269 -0.4198 -0.4198 -0.4020 -0.4020 -0.1266 -0.1266 -0.0911 -0.0911 0.0585 0.0585 0.0841 0.0841 0.1288 0.1288 0.1577 0.1577 1.6380 1.6380 4.3195 4.3195 4.5317 4.5317 6.9267 6.9267 7.2394 7.2394 7.4110 7.4110 8.8573 8.8573 9.0924 9.0924 k = 0.2762 0.7631-0.0000 ( 3829 PWs) bands (ev): -34.7052 -34.7052 -34.7036 -34.7036 -15.9695 -15.9695 -15.9617 -15.9617 -15.6082 -15.6082 -15.5980 -15.5980 -15.5735 -15.5735 -15.5605 -15.5605 -0.4751 -0.4751 -0.4269 -0.4269 -0.4197 -0.4197 -0.4020 -0.4020 -0.1264 -0.1264 -0.0911 -0.0911 0.0584 0.0584 0.0834 0.0834 0.1285 0.1285 0.1577 0.1577 1.6300 1.6300 4.3583 4.3583 4.4524 4.4524 7.0129 7.0129 7.2369 7.2369 7.4483 7.4483 8.8603 8.8603 9.0323 9.0323 k = 0.2827 0.7812-0.0000 ( 3831 PWs) bands (ev): -34.7051 -34.7051 -34.7038 -34.7038 -15.9687 -15.9687 -15.9622 -15.9622 -15.6078 -15.6078 -15.5977 -15.5977 -15.5733 -15.5733 -15.5610 -15.5610 -0.4752 -0.4752 -0.4269 -0.4269 -0.4196 -0.4196 -0.4020 -0.4020 -0.1263 -0.1263 -0.0911 -0.0911 0.0583 0.0583 0.0825 0.0825 0.1280 0.1280 0.1577 0.1577 1.6163 1.6163 4.3714 4.3714 4.4083 4.4083 7.1020 7.1020 7.2358 7.2358 7.4852 7.4852 8.8655 8.8655 8.9733 8.9733 k = 0.2827 0.7812-0.0000 ( 3831 PWs) bands (ev): -34.7051 -34.7051 -34.7038 -34.7038 -15.9687 -15.9687 -15.9622 -15.9622 -15.6078 -15.6078 -15.5977 -15.5977 -15.5733 -15.5733 -15.5610 -15.5610 -0.4752 -0.4752 -0.4269 -0.4269 -0.4196 -0.4196 -0.4020 -0.4020 -0.1263 -0.1263 -0.0911 -0.0911 0.0583 0.0583 0.0825 0.0825 0.1280 0.1280 0.1577 0.1577 1.6163 1.6163 4.3714 4.3714 4.4083 4.4083 7.1020 7.1020 7.2358 7.2358 7.4852 7.4852 8.8655 8.8655 8.9733 8.9733 k = 0.2639 0.7812-0.0000 ( 3837 PWs) bands (ev): -34.7051 -34.7051 -34.7037 -34.7037 -15.9690 -15.9690 -15.9620 -15.9620 -15.6080 -15.6080 -15.5978 -15.5978 -15.5734 -15.5734 -15.5608 -15.5608 -0.4751 -0.4751 -0.4269 -0.4269 -0.4197 -0.4197 -0.4020 -0.4020 -0.1263 -0.1263 -0.0911 -0.0911 0.0583 0.0583 0.0828 0.0828 0.1282 0.1282 0.1577 0.1577 1.6211 1.6211 4.3509 4.3509 4.4410 4.4410 7.0592 7.0592 7.2361 7.2361 7.4837 7.4837 8.8623 8.8623 8.9849 8.9849 k = 0.2450 0.7812-0.0000 ( 3828 PWs) bands (ev): -34.7052 -34.7052 -34.7036 -34.7036 -15.9694 -15.9694 -15.9617 -15.9617 -15.6082 -15.6082 -15.5978 -15.5978 -15.5735 -15.5735 -15.5606 -15.5606 -0.4751 -0.4751 -0.4269 -0.4269 -0.4197 -0.4197 -0.4020 -0.4020 -0.1264 -0.1264 -0.0911 -0.0911 0.0584 0.0584 0.0831 0.0831 0.1284 0.1284 0.1577 0.1577 1.6248 1.6248 4.3113 4.3113 4.4996 4.4996 6.9955 6.9955 7.2371 7.2371 7.4990 7.4990 8.8569 8.8569 8.9814 8.9814 k = 0.2262 0.7812-0.0000 ( 3828 PWs) bands (ev): -34.7053 -34.7053 -34.7035 -34.7035 -15.9698 -15.9698 -15.9615 -15.9615 -15.6084 -15.6084 -15.5979 -15.5979 -15.5736 -15.5736 -15.5604 -15.5604 -0.4751 -0.4751 -0.4269 -0.4269 -0.4197 -0.4197 -0.4020 -0.4020 -0.1264 -0.1264 -0.0911 -0.0911 0.0584 0.0584 0.0834 0.0834 0.1285 0.1285 0.1577 0.1577 1.6275 1.6275 4.2732 4.2732 4.5633 4.5633 6.9183 6.9183 7.2387 7.2387 7.5239 7.5239 8.8494 8.8494 8.9657 8.9657 k = 0.2073 0.7812-0.0000 ( 3834 PWs) bands (ev): -34.7054 -34.7054 -34.7034 -34.7034 -15.9702 -15.9702 -15.9612 -15.9612 -15.6087 -15.6087 -15.5979 -15.5979 -15.5737 -15.5737 -15.5601 -15.5601 -0.4751 -0.4751 -0.4269 -0.4269 -0.4198 -0.4198 -0.4021 -0.4021 -0.1265 -0.1265 -0.0912 -0.0912 0.0584 0.0584 0.0836 0.0836 0.1287 0.1287 0.1577 0.1577 1.6293 1.6293 4.2376 4.2376 4.6308 4.6308 6.8331 6.8331 7.2409 7.2409 7.5534 7.5534 8.8400 8.8400 8.9418 8.9418 k = 0.1885 0.7812-0.0000 ( 3833 PWs) bands (ev): -34.7055 -34.7055 -34.7033 -34.7033 -15.9706 -15.9706 -15.9609 -15.9609 -15.6090 -15.6090 -15.5979 -15.5979 -15.5738 -15.5738 -15.5599 -15.5599 -0.4751 -0.4751 -0.4268 -0.4268 -0.4199 -0.4199 -0.4021 -0.4021 -0.1265 -0.1265 -0.0912 -0.0912 0.0584 0.0584 0.0839 0.0839 0.1288 0.1288 0.1577 0.1577 1.6304 1.6304 4.2047 4.2047 4.7016 4.7016 6.7431 6.7431 7.2434 7.2434 7.5847 7.5847 8.8292 8.8292 8.9133 8.9133 k = 0.1696 0.7812-0.0000 ( 3833 PWs) bands (ev): -34.7055 -34.7055 -34.7032 -34.7032 -15.9709 -15.9709 -15.9606 -15.9606 -15.6092 -15.6092 -15.5979 -15.5979 -15.5739 -15.5739 -15.5596 -15.5596 -0.4751 -0.4751 -0.4268 -0.4268 -0.4199 -0.4199 -0.4021 -0.4021 -0.1265 -0.1265 -0.0911 -0.0911 0.0585 0.0585 0.0841 0.0841 0.1290 0.1290 0.1577 0.1577 1.6310 1.6310 4.1747 4.1747 4.7751 4.7751 6.6503 6.6503 7.2461 7.2461 7.6160 7.6160 8.8174 8.8174 8.8827 8.8827 k = 0.1508 0.7812-0.0000 ( 3831 PWs) bands (ev): -34.7056 -34.7056 -34.7032 -34.7032 -15.9713 -15.9713 -15.9603 -15.9603 -15.6095 -15.6095 -15.5978 -15.5978 -15.5741 -15.5741 -15.5594 -15.5594 -0.4751 -0.4751 -0.4268 -0.4268 -0.4200 -0.4200 -0.4021 -0.4021 -0.1266 -0.1266 -0.0912 -0.0912 0.0585 0.0585 0.0843 0.0843 0.1292 0.1292 0.1577 0.1577 1.6312 1.6312 4.1476 4.1476 4.8509 4.8509 6.5564 6.5564 7.2490 7.2490 7.6462 7.6462 8.8052 8.8052 8.8520 8.8520 k = 0.1319 0.7812-0.0000 ( 3835 PWs) bands (ev): -34.7057 -34.7057 -34.7031 -34.7031 -15.9716 -15.9716 -15.9601 -15.9601 -15.6098 -15.6098 -15.5978 -15.5978 -15.5742 -15.5742 -15.5592 -15.5592 -0.4751 -0.4751 -0.4268 -0.4268 -0.4201 -0.4201 -0.4021 -0.4021 -0.1266 -0.1266 -0.0912 -0.0912 0.0585 0.0585 0.0844 0.0844 0.1293 0.1293 0.1577 0.1577 1.6310 1.6310 4.1236 4.1236 4.9281 4.9281 6.4624 6.4624 7.2519 7.2519 7.6747 7.6747 8.7929 8.7929 8.8225 8.8225 k = 0.1131 0.7812-0.0000 ( 3829 PWs) bands (ev): -34.7057 -34.7057 -34.7030 -34.7030 -15.9719 -15.9719 -15.9598 -15.9598 -15.6100 -15.6100 -15.5977 -15.5977 -15.5743 -15.5743 -15.5589 -15.5589 -0.4751 -0.4751 -0.4267 -0.4267 -0.4201 -0.4201 -0.4021 -0.4021 -0.1266 -0.1266 -0.0912 -0.0912 0.0585 0.0585 0.0846 0.0846 0.1295 0.1295 0.1578 0.1578 1.6306 1.6306 4.1027 4.1027 5.0058 5.0058 6.3698 6.3698 7.2546 7.2546 7.7006 7.7006 8.7811 8.7811 8.7953 8.7953 k = 0.0942 0.7812-0.0000 ( 3827 PWs) bands (ev): -34.7058 -34.7058 -34.7030 -34.7030 -15.9721 -15.9721 -15.9596 -15.9596 -15.6102 -15.6102 -15.5976 -15.5976 -15.5744 -15.5744 -15.5587 -15.5587 -0.4751 -0.4751 -0.4267 -0.4267 -0.4202 -0.4202 -0.4020 -0.4020 -0.1265 -0.1265 -0.0912 -0.0912 0.0585 0.0585 0.0847 0.0847 0.1296 0.1296 0.1578 0.1578 1.6302 1.6302 4.0849 4.0849 5.0828 5.0828 6.2800 6.2800 7.2572 7.2572 7.7236 7.7236 8.7688 8.7688 8.7724 8.7724 k = 0.0754 0.7812-0.0000 ( 3823 PWs) bands (ev): -34.7058 -34.7058 -34.7029 -34.7029 -15.9723 -15.9723 -15.9594 -15.9594 -15.6104 -15.6104 -15.5975 -15.5975 -15.5745 -15.5745 -15.5585 -15.5585 -0.4751 -0.4751 -0.4267 -0.4267 -0.4203 -0.4203 -0.4020 -0.4020 -0.1265 -0.1265 -0.0911 -0.0911 0.0585 0.0585 0.0848 0.0848 0.1297 0.1297 0.1578 0.1578 1.6297 1.6297 4.0703 4.0703 5.1571 5.1571 6.1950 6.1950 7.2594 7.2594 7.7432 7.7432 8.7494 8.7494 8.7616 8.7616 k = 0.0565 0.7812-0.0000 ( 3817 PWs) bands (ev): -34.7058 -34.7058 -34.7029 -34.7029 -15.9725 -15.9725 -15.9593 -15.9593 -15.6105 -15.6105 -15.5975 -15.5975 -15.5746 -15.5746 -15.5584 -15.5584 -0.4751 -0.4751 -0.4266 -0.4266 -0.4203 -0.4203 -0.4020 -0.4020 -0.1265 -0.1265 -0.0911 -0.0911 0.0585 0.0585 0.0849 0.0849 0.1298 0.1298 0.1578 0.1578 1.6292 1.6292 4.0589 4.0589 5.2256 5.2256 6.1182 6.1182 7.2613 7.2613 7.7589 7.7589 8.7326 8.7326 8.7539 8.7539 k = 0.0377 0.7812-0.0000 ( 3815 PWs) bands (ev): -34.7059 -34.7059 -34.7028 -34.7028 -15.9726 -15.9726 -15.9592 -15.9592 -15.6106 -15.6106 -15.5975 -15.5975 -15.5746 -15.5746 -15.5583 -15.5583 -0.4751 -0.4751 -0.4266 -0.4266 -0.4203 -0.4203 -0.4020 -0.4020 -0.1265 -0.1265 -0.0912 -0.0912 0.0585 0.0585 0.0850 0.0850 0.1298 0.1298 0.1579 0.1579 1.6289 1.6289 4.0507 4.0507 5.2834 5.2834 6.0543 6.0543 7.2626 7.2626 7.7705 7.7705 8.7203 8.7203 8.7482 8.7482 k = 0.0188 0.7812-0.0000 ( 3812 PWs) bands (ev): -34.7059 -34.7059 -34.7028 -34.7028 -15.9726 -15.9726 -15.9591 -15.9591 -15.6107 -15.6107 -15.5974 -15.5974 -15.5746 -15.5746 -15.5582 -15.5582 -0.4751 -0.4751 -0.4266 -0.4266 -0.4204 -0.4204 -0.4020 -0.4020 -0.1265 -0.1265 -0.0912 -0.0912 0.0585 0.0585 0.0850 0.0850 0.1299 0.1299 0.1579 0.1579 1.6287 1.6287 4.0458 4.0458 5.3235 5.3235 6.0106 6.0106 7.2635 7.2635 7.7775 7.7775 8.7127 8.7127 8.7448 8.7448 k = 0.0000 0.7812-0.0000 ( 3814 PWs) bands (ev): -34.7059 -34.7059 -34.7028 -34.7028 -15.9726 -15.9726 -15.9591 -15.9591 -15.6107 -15.6107 -15.5975 -15.5975 -15.5746 -15.5746 -15.5582 -15.5582 -0.4751 -0.4751 -0.4265 -0.4265 -0.4204 -0.4204 -0.4020 -0.4020 -0.1264 -0.1264 -0.0912 -0.0912 0.0585 0.0585 0.0850 0.0850 0.1299 0.1299 0.1579 0.1579 1.6286 1.6286 4.0442 4.0442 5.3381 5.3381 5.9947 5.9947 7.2638 7.2638 7.7799 7.7799 8.7101 8.7101 8.7436 8.7436 k = 0.0000 0.7812-0.0000 ( 3814 PWs) bands (ev): -34.7059 -34.7059 -34.7028 -34.7028 -15.9726 -15.9726 -15.9591 -15.9591 -15.6107 -15.6107 -15.5975 -15.5975 -15.5746 -15.5746 -15.5582 -15.5582 -0.4751 -0.4751 -0.4265 -0.4265 -0.4204 -0.4204 -0.4020 -0.4020 -0.1264 -0.1264 -0.0912 -0.0912 0.0585 0.0585 0.0850 0.0850 0.1299 0.1299 0.1579 0.1579 1.6286 1.6286 4.0442 4.0442 5.3381 5.3381 5.9947 5.9947 7.2638 7.2638 7.7799 7.7799 8.7101 8.7101 8.7436 8.7436 k = 0.0000 0.7812 0.0193 ( 3818 PWs) bands (ev): -34.7059 -34.7059 -34.7028 -34.7028 -15.9727 -15.9727 -15.9591 -15.9591 -15.6107 -15.6107 -15.5974 -15.5974 -15.5747 -15.5747 -15.5582 -15.5582 -0.4751 -0.4751 -0.4277 -0.4277 -0.4194 -0.4194 -0.4017 -0.4017 -0.1265 -0.1265 -0.0909 -0.0909 0.0585 0.0585 0.0848 0.0848 0.1291 0.1291 0.1588 0.1588 1.6296 1.6296 4.0456 4.0456 5.3376 5.3376 5.9961 5.9961 7.2582 7.2582 7.7779 7.7779 8.7093 8.7093 8.7411 8.7411 k = 0.0000 0.7812 0.0386 ( 3812 PWs) bands (ev): -34.7059 -34.7059 -34.7028 -34.7028 -15.9727 -15.9727 -15.9592 -15.9592 -15.6108 -15.6108 -15.5973 -15.5973 -15.5749 -15.5749 -15.5582 -15.5582 -0.4752 -0.4752 -0.4300 -0.4300 -0.4176 -0.4176 -0.4009 -0.4009 -0.1267 -0.1267 -0.0901 -0.0901 0.0584 0.0584 0.0842 0.0842 0.1270 0.1270 0.1614 0.1614 1.6328 1.6328 4.0497 4.0497 5.3358 5.3358 6.0002 6.0002 7.2416 7.2416 7.7720 7.7720 8.7068 8.7068 8.7337 8.7337 k = 0.0000 0.7812 0.0579 ( 3812 PWs) bands (ev): -34.7059 -34.7059 -34.7028 -34.7028 -15.9726 -15.9726 -15.9592 -15.9592 -15.6109 -15.6109 -15.5971 -15.5971 -15.5751 -15.5751 -15.5583 -15.5583 -0.4753 -0.4753 -0.4327 -0.4327 -0.4160 -0.4160 -0.3995 -0.3995 -0.1270 -0.1270 -0.0889 -0.0889 0.0582 0.0582 0.0831 0.0831 0.1243 0.1243 0.1651 0.1651 1.6381 1.6381 4.0565 4.0565 5.3329 5.3329 6.0071 6.0071 7.2147 7.2147 7.7622 7.7622 8.7023 8.7023 8.7214 8.7214 k = 0.0000 0.7812 0.0772 ( 3812 PWs) bands (ev): -34.7058 -34.7058 -34.7028 -34.7028 -15.9727 -15.9727 -15.9593 -15.9593 -15.6111 -15.6111 -15.5968 -15.5968 -15.5754 -15.5754 -15.5583 -15.5583 -0.4755 -0.4755 -0.4352 -0.4352 -0.4148 -0.4148 -0.3975 -0.3975 -0.1274 -0.1274 -0.0874 -0.0874 0.0580 0.0580 0.0815 0.0815 0.1215 0.1215 0.1693 0.1693 1.6456 1.6456 4.0660 4.0660 5.3286 5.3286 6.0166 6.0166 7.1786 7.1786 7.7485 7.7485 8.6952 8.6952 8.7045 8.7045 k = 0.0000 0.7812 0.0965 ( 3818 PWs) bands (ev): -34.7058 -34.7058 -34.7028 -34.7028 -15.9727 -15.9727 -15.9595 -15.9595 -15.6114 -15.6114 -15.5965 -15.5965 -15.5758 -15.5758 -15.5584 -15.5584 -0.4758 -0.4758 -0.4377 -0.4377 -0.4140 -0.4140 -0.3951 -0.3951 -0.1278 -0.1278 -0.0855 -0.0855 0.0577 0.0577 0.0794 0.0794 0.1189 0.1189 0.1737 0.1737 1.6552 1.6552 4.0781 4.0781 5.3229 5.3229 6.0289 6.0289 7.1345 7.1345 7.7312 7.7312 8.6813 8.6813 8.6872 8.6872 k = 0.0000 0.7812 0.1158 ( 3824 PWs) bands (ev): -34.7058 -34.7058 -34.7028 -34.7028 -15.9727 -15.9727 -15.9596 -15.9596 -15.6116 -15.6116 -15.5961 -15.5961 -15.5763 -15.5763 -15.5585 -15.5585 -0.4763 -0.4763 -0.4398 -0.4398 -0.4137 -0.4137 -0.3924 -0.3924 -0.1280 -0.1280 -0.0834 -0.0834 0.0574 0.0574 0.0767 0.0767 0.1166 0.1166 0.1782 0.1782 1.6669 1.6669 4.0926 4.0926 5.3157 5.3157 6.0437 6.0437 7.0839 7.0839 7.7102 7.7102 8.6557 8.6557 8.6742 8.6742 k = 0.0000 0.7812 0.1351 ( 3828 PWs) bands (ev): -34.7058 -34.7058 -34.7028 -34.7028 -15.9727 -15.9727 -15.9598 -15.9598 -15.6119 -15.6119 -15.5957 -15.5957 -15.5769 -15.5769 -15.5587 -15.5587 -0.4768 -0.4768 -0.4417 -0.4417 -0.4135 -0.4135 -0.3896 -0.3896 -0.1281 -0.1281 -0.0811 -0.0811 0.0570 0.0570 0.0736 0.0736 0.1148 0.1148 0.1827 0.1827 1.6809 1.6809 4.1093 4.1093 5.3066 5.3066 6.0611 6.0611 7.0284 7.0284 7.6857 7.6857 8.6255 8.6255 8.6588 8.6588 k = 0.0000 0.7812 0.1544 ( 3832 PWs) bands (ev): -34.7057 -34.7057 -34.7028 -34.7028 -15.9727 -15.9727 -15.9600 -15.9600 -15.6122 -15.6122 -15.5952 -15.5952 -15.5775 -15.5775 -15.5589 -15.5589 -0.4775 -0.4775 -0.4433 -0.4433 -0.4135 -0.4135 -0.3867 -0.3867 -0.1281 -0.1281 -0.0787 -0.0787 0.0567 0.0567 0.0702 0.0702 0.1134 0.1134 0.1870 0.1870 1.6971 1.6971 4.1281 4.1281 5.2956 5.2956 6.0811 6.0811 6.9695 6.9695 7.6580 7.6580 8.5914 8.5914 8.6404 8.6404 k = 0.0000 0.7812 0.1737 ( 3838 PWs) bands (ev): -34.7057 -34.7057 -34.7028 -34.7028 -15.9728 -15.9728 -15.9603 -15.9603 -15.6125 -15.6125 -15.5947 -15.5947 -15.5782 -15.5782 -15.5590 -15.5590 -0.4783 -0.4783 -0.4445 -0.4445 -0.4137 -0.4137 -0.3839 -0.3839 -0.1278 -0.1278 -0.0763 -0.0763 0.0563 0.0563 0.0666 0.0666 0.1124 0.1124 0.1911 0.1911 1.7155 1.7155 4.1487 4.1487 5.2825 5.2825 6.1034 6.1034 6.9089 6.9089 7.6270 7.6270 8.5536 8.5536 8.6190 8.6190 k = 0.0000 0.7812 0.1930 ( 3846 PWs) bands (ev): -34.7056 -34.7056 -34.7028 -34.7028 -15.9728 -15.9728 -15.9605 -15.9605 -15.6128 -15.6128 -15.5943 -15.5943 -15.5790 -15.5790 -15.5593 -15.5593 -0.4792 -0.4792 -0.4454 -0.4454 -0.4139 -0.4139 -0.3813 -0.3813 -0.1273 -0.1273 -0.0740 -0.0740 0.0558 0.0558 0.0630 0.0630 0.1117 0.1117 0.1950 0.1950 1.7362 1.7362 4.1707 4.1707 5.2671 5.2671 6.1280 6.1280 6.8480 6.8480 7.5929 7.5929 8.5128 8.5128 8.5950 8.5950 k = 0.0000 0.7812 0.2123 ( 3842 PWs) bands (ev): -34.7056 -34.7056 -34.7028 -34.7028 -15.9728 -15.9728 -15.9608 -15.9608 -15.6131 -15.6131 -15.5937 -15.5937 -15.5797 -15.5797 -15.5595 -15.5595 -0.4801 -0.4801 -0.4461 -0.4461 -0.4142 -0.4142 -0.3789 -0.3789 -0.1265 -0.1265 -0.0717 -0.0717 0.0549 0.0549 0.0599 0.0599 0.1114 0.1114 0.1986 0.1986 1.7592 1.7592 4.1937 4.1937 5.2493 5.2493 6.1549 6.1549 6.7882 6.7882 7.5560 7.5560 8.4691 8.4691 8.5687 8.5687 k = 0.0000 0.7812 0.2316 ( 3836 PWs) bands (ev): -34.7055 -34.7055 -34.7028 -34.7028 -15.9728 -15.9728 -15.9611 -15.9611 -15.6134 -15.6134 -15.5932 -15.5932 -15.5805 -15.5805 -15.5597 -15.5597 -0.4811 -0.4811 -0.4464 -0.4464 -0.4144 -0.4144 -0.3767 -0.3767 -0.1255 -0.1255 -0.0694 -0.0694 0.0528 0.0528 0.0582 0.0582 0.1113 0.1113 0.2020 0.2020 1.7846 1.7846 4.2170 4.2170 5.2294 5.2294 6.1838 6.1838 6.7308 6.7308 7.5163 7.5163 8.4229 8.4229 8.5402 8.5402 k = 0.0000 0.7812 0.2509 ( 3840 PWs) bands (ev): -34.7055 -34.7055 -34.7028 -34.7028 -15.9728 -15.9728 -15.9614 -15.9614 -15.6136 -15.6136 -15.5927 -15.5927 -15.5814 -15.5814 -15.5600 -15.5600 -0.4821 -0.4821 -0.4467 -0.4467 -0.4147 -0.4147 -0.3748 -0.3748 -0.1243 -0.1243 -0.0674 -0.0674 0.0497 0.0497 0.0576 0.0576 0.1114 0.1114 0.2049 0.2049 1.8122 1.8122 4.2398 4.2398 5.2075 5.2075 6.2147 6.2147 6.6769 6.6769 7.4739 7.4739 8.3747 8.3747 8.5099 8.5099 k = 0.0000 0.7812 0.2702 ( 3840 PWs) bands (ev): -34.7054 -34.7054 -34.7029 -34.7029 -15.9728 -15.9728 -15.9617 -15.9617 -15.6139 -15.6139 -15.5922 -15.5922 -15.5822 -15.5822 -15.5604 -15.5604 -0.4830 -0.4830 -0.4468 -0.4468 -0.4150 -0.4150 -0.3732 -0.3732 -0.1228 -0.1228 -0.0655 -0.0655 0.0464 0.0464 0.0576 0.0576 0.1116 0.1116 0.2075 0.2075 1.8423 1.8423 4.2611 4.2611 5.1844 5.1844 6.2473 6.2473 6.6276 6.6276 7.4291 7.4291 8.3249 8.3249 8.4781 8.4781 k = 0.0000 0.7812 0.2895 ( 3844 PWs) bands (ev): -34.7053 -34.7053 -34.7029 -34.7029 -15.9728 -15.9728 -15.9621 -15.9621 -15.6141 -15.6141 -15.5918 -15.5918 -15.5830 -15.5830 -15.5607 -15.5607 -0.4838 -0.4838 -0.4468 -0.4468 -0.4152 -0.4152 -0.3719 -0.3719 -0.1212 -0.1212 -0.0638 -0.0638 0.0433 0.0433 0.0579 0.0579 0.1120 0.1120 0.2096 0.2096 1.8747 1.8747 4.2796 4.2796 5.1611 5.1611 6.2815 6.2815 6.5836 6.5836 7.3818 7.3818 8.2737 8.2737 8.4450 8.4450 k = 0.0000 0.7812 0.3088 ( 3842 PWs) bands (ev): -34.7052 -34.7052 -34.7029 -34.7029 -15.9728 -15.9728 -15.9624 -15.9624 -15.6142 -15.6142 -15.5914 -15.5914 -15.5837 -15.5837 -15.5611 -15.5611 -0.4846 -0.4846 -0.4468 -0.4468 -0.4154 -0.4154 -0.3710 -0.3710 -0.1193 -0.1193 -0.0624 -0.0624 0.0404 0.0404 0.0583 0.0583 0.1126 0.1126 0.2114 0.2114 1.9096 1.9096 4.2935 4.2935 5.1392 5.1392 6.3170 6.3170 6.5454 6.5454 7.3324 7.3324 8.2216 8.2216 8.4108 8.4108 k = 0.0000 0.7812 0.3281 ( 3842 PWs) bands (ev): -34.7052 -34.7052 -34.7029 -34.7029 -15.9728 -15.9728 -15.9628 -15.9628 -15.6143 -15.6143 -15.5913 -15.5913 -15.5843 -15.5843 -15.5616 -15.5616 -0.4851 -0.4851 -0.4467 -0.4467 -0.4156 -0.4156 -0.3703 -0.3703 -0.1174 -0.1174 -0.0613 -0.0613 0.0380 0.0380 0.0589 0.0589 0.1133 0.1133 0.2128 0.2128 1.9469 1.9469 4.3009 4.3009 5.1208 5.1208 6.3537 6.3537 6.5134 6.5134 7.2809 7.2809 8.1689 8.1689 8.3759 8.3759 k = 0.0000 0.7812 0.3475 ( 3854 PWs) bands (ev): -34.7051 -34.7051 -34.7029 -34.7029 -15.9728 -15.9728 -15.9632 -15.9632 -15.6145 -15.6145 -15.5914 -15.5914 -15.5846 -15.5846 -15.5621 -15.5621 -0.4856 -0.4856 -0.4468 -0.4468 -0.4157 -0.4157 -0.3700 -0.3700 -0.1153 -0.1153 -0.0605 -0.0605 0.0359 0.0359 0.0595 0.0595 0.1142 0.1142 0.2137 0.2137 1.9867 1.9867 4.2997 4.2997 5.1081 5.1081 6.3910 6.3910 6.4876 6.4876 7.2273 7.2273 8.1160 8.1160 8.3402 8.3402 k = 0.0000 0.7812 0.3668 ( 3852 PWs) bands (ev): -34.7050 -34.7050 -34.7029 -34.7029 -15.9728 -15.9728 -15.9636 -15.9636 -15.6145 -15.6145 -15.5917 -15.5917 -15.5847 -15.5847 -15.5625 -15.5625 -0.4859 -0.4859 -0.4469 -0.4469 -0.4156 -0.4156 -0.3700 -0.3700 -0.1131 -0.1131 -0.0599 -0.0599 0.0343 0.0343 0.0603 0.0603 0.1153 0.1153 0.2143 0.2143 2.0289 2.0289 4.2880 4.2880 5.1034 5.1034 6.4284 6.4284 6.4684 6.4684 7.1720 7.1720 8.0633 8.0633 8.3041 8.3041 k = 0.0000 0.7812 0.3861 ( 3854 PWs) bands (ev): -34.7049 -34.7049 -34.7029 -34.7029 -15.9727 -15.9727 -15.9640 -15.9640 -15.6145 -15.6145 -15.5923 -15.5923 -15.5846 -15.5846 -15.5630 -15.5630 -0.4860 -0.4860 -0.4470 -0.4470 -0.4155 -0.4155 -0.3703 -0.3703 -0.1109 -0.1109 -0.0597 -0.0597 0.0331 0.0331 0.0610 0.0610 0.1166 0.1166 0.2144 0.2144 2.0735 2.0735 4.2646 4.2646 5.1081 5.1081 6.4510 6.4510 6.4699 6.4699 7.1151 7.1151 8.0111 8.0111 8.2676 8.2676 k = 0.0000 0.7812 0.4054 ( 3850 PWs) bands (ev): -34.7048 -34.7048 -34.7029 -34.7029 -15.9727 -15.9727 -15.9645 -15.9645 -15.6145 -15.6145 -15.5930 -15.5930 -15.5842 -15.5842 -15.5636 -15.5636 -0.4859 -0.4859 -0.4473 -0.4473 -0.4152 -0.4152 -0.3708 -0.3708 -0.1087 -0.1087 -0.0598 -0.0598 0.0325 0.0325 0.0618 0.0618 0.1181 0.1181 0.2141 0.2141 2.1207 2.1207 4.2295 4.2295 5.1230 5.1230 6.4444 6.4444 6.5056 6.5056 7.0569 7.0569 7.9599 7.9599 8.2308 8.2308 k = 0.0000 0.7812 0.4247 ( 3846 PWs) bands (ev): -34.7048 -34.7048 -34.7030 -34.7030 -15.9726 -15.9726 -15.9649 -15.9649 -15.6144 -15.6144 -15.5939 -15.5939 -15.5837 -15.5837 -15.5641 -15.5641 -0.4856 -0.4856 -0.4477 -0.4477 -0.4148 -0.4148 -0.3716 -0.3716 -0.1065 -0.1065 -0.0601 -0.0601 0.0323 0.0323 0.0626 0.0626 0.1198 0.1198 0.2134 0.2134 2.1702 2.1702 4.1835 4.1835 5.1478 5.1478 6.4414 6.4414 6.5416 6.5416 6.9976 6.9976 7.9102 7.9102 8.1938 8.1938 k = 0.0000 0.7812 0.4440 ( 3846 PWs) bands (ev): -34.7047 -34.7047 -34.7030 -34.7030 -15.9725 -15.9725 -15.9653 -15.9653 -15.6142 -15.6142 -15.5949 -15.5949 -15.5832 -15.5832 -15.5647 -15.5647 -0.4852 -0.4852 -0.4483 -0.4483 -0.4143 -0.4143 -0.3726 -0.3726 -0.1043 -0.1043 -0.0607 -0.0607 0.0326 0.0326 0.0632 0.0632 0.1219 0.1219 0.2123 0.2123 2.2222 2.2222 4.1279 4.1279 5.1813 5.1813 6.4430 6.4430 6.5755 6.5755 6.9379 6.9379 7.8625 7.8625 8.1566 8.1566 k = 0.0000 0.7812 0.4633 ( 3850 PWs) bands (ev): -34.7046 -34.7046 -34.7030 -34.7030 -15.9725 -15.9725 -15.9657 -15.9657 -15.6141 -15.6141 -15.5959 -15.5959 -15.5826 -15.5826 -15.5653 -15.5653 -0.4846 -0.4846 -0.4491 -0.4491 -0.4137 -0.4137 -0.3739 -0.3739 -0.1022 -0.1022 -0.0616 -0.0616 0.0333 0.0333 0.0638 0.0638 0.1241 0.1241 0.2107 0.2107 2.2767 2.2767 4.0645 4.0645 5.2225 5.2225 6.4488 6.4488 6.6053 6.6053 6.8793 6.8793 7.8174 7.8174 8.1194 8.1194 k = 0.0000 0.7812 0.4826 ( 3852 PWs) bands (ev): -34.7045 -34.7045 -34.7030 -34.7030 -15.9724 -15.9724 -15.9662 -15.9662 -15.6138 -15.6138 -15.5970 -15.5970 -15.5819 -15.5819 -15.5660 -15.5660 -0.4838 -0.4838 -0.4499 -0.4499 -0.4130 -0.4130 -0.3753 -0.3753 -0.1001 -0.1001 -0.0626 -0.0626 0.0343 0.0343 0.0642 0.0642 0.1266 0.1266 0.2088 0.2088 2.3335 2.3335 3.9949 3.9949 5.2700 5.2700 6.4584 6.4584 6.6271 6.6271 6.8249 6.8249 7.7755 7.7755 8.0821 8.0821 k = 0.0000 0.7812 0.5019 ( 3854 PWs) bands (ev): -34.7044 -34.7044 -34.7031 -34.7031 -15.9722 -15.9722 -15.9666 -15.9666 -15.6136 -15.6136 -15.5980 -15.5980 -15.5812 -15.5812 -15.5666 -15.5666 -0.4828 -0.4828 -0.4510 -0.4510 -0.4120 -0.4120 -0.3769 -0.3769 -0.0981 -0.0981 -0.0639 -0.0639 0.0357 0.0357 0.0644 0.0644 0.1295 0.1295 0.2065 0.2065 2.3927 2.3927 3.9205 3.9205 5.3228 5.3228 6.4715 6.4715 6.6316 6.6316 6.7835 6.7835 7.7377 7.7377 8.0449 8.0449 k = 0.0000 0.7812 0.5212 ( 3858 PWs) bands (ev): -34.7043 -34.7043 -34.7031 -34.7031 -15.9721 -15.9721 -15.9670 -15.9670 -15.6132 -15.6132 -15.5991 -15.5991 -15.5805 -15.5805 -15.5673 -15.5673 -0.4817 -0.4817 -0.4521 -0.4521 -0.4110 -0.4110 -0.3786 -0.3786 -0.0961 -0.0961 -0.0653 -0.0653 0.0374 0.0374 0.0645 0.0645 0.1326 0.1326 0.2038 0.2038 2.4542 2.4542 3.8426 3.8426 5.3800 5.3800 6.4875 6.4875 6.6065 6.6065 6.7666 6.7666 7.7048 7.7048 8.0078 8.0078 k = 0.0000 0.7812 0.5405 ( 3862 PWs) bands (ev): -34.7043 -34.7043 -34.7032 -34.7032 -15.9720 -15.9720 -15.9674 -15.9674 -15.6128 -15.6128 -15.6002 -15.6002 -15.5798 -15.5798 -15.5680 -15.5680 -0.4805 -0.4805 -0.4534 -0.4534 -0.4099 -0.4099 -0.3804 -0.3804 -0.0942 -0.0942 -0.0667 -0.0667 0.0392 0.0392 0.0643 0.0643 0.1359 0.1359 0.2009 0.2009 2.5179 2.5179 3.7622 3.7622 5.4407 5.4407 6.5056 6.5056 6.5571 6.5571 6.7686 6.7686 7.6776 7.6776 7.9709 7.9709 k = 0.0000 0.7812 0.5598 ( 3864 PWs) bands (ev): -34.7042 -34.7042 -34.7032 -34.7032 -15.9719 -15.9719 -15.9678 -15.9678 -15.6124 -15.6124 -15.6012 -15.6012 -15.5791 -15.5791 -15.5687 -15.5687 -0.4791 -0.4791 -0.4548 -0.4548 -0.4086 -0.4086 -0.3824 -0.3824 -0.0924 -0.0924 -0.0683 -0.0683 0.0412 0.0412 0.0639 0.0639 0.1396 0.1396 0.1976 0.1976 2.5839 2.5839 3.6801 3.6801 5.5043 5.5043 6.4922 6.4922 6.5302 6.5302 6.7754 6.7754 7.6569 7.6569 7.9342 7.9342 k = 0.0000 0.7812 0.5791 ( 3862 PWs) bands (ev): -34.7041 -34.7041 -34.7033 -34.7033 -15.9717 -15.9717 -15.9682 -15.9682 -15.6119 -15.6119 -15.6023 -15.6023 -15.5783 -15.5783 -15.5694 -15.5694 -0.4776 -0.4776 -0.4563 -0.4563 -0.4072 -0.4072 -0.3844 -0.3844 -0.0905 -0.0905 -0.0699 -0.0699 0.0433 0.0433 0.0633 0.0633 0.1434 0.1434 0.1941 0.1941 2.6521 2.6521 3.5970 3.5970 5.5704 5.5704 6.4269 6.4269 6.5521 6.5521 6.7802 6.7802 7.6433 7.6433 7.8980 7.8980 k = 0.0000 0.7812 0.5984 ( 3858 PWs) bands (ev): -34.7040 -34.7040 -34.7033 -34.7033 -15.9715 -15.9715 -15.9686 -15.9686 -15.6113 -15.6113 -15.6033 -15.6033 -15.5776 -15.5776 -15.5701 -15.5701 -0.4760 -0.4760 -0.4579 -0.4579 -0.4057 -0.4057 -0.3864 -0.3864 -0.0888 -0.0888 -0.0716 -0.0716 0.0455 0.0455 0.0626 0.0626 0.1475 0.1475 0.1904 0.1904 2.7224 2.7224 3.5134 3.5134 5.6385 5.6385 6.3578 6.3578 6.5766 6.5766 6.7803 6.7803 7.6372 7.6372 7.8624 7.8624 k = 0.0000 0.7812 0.6177 ( 3860 PWs) bands (ev): -34.7039 -34.7039 -34.7034 -34.7034 -15.9713 -15.9713 -15.9690 -15.9690 -15.6107 -15.6107 -15.6043 -15.6043 -15.5768 -15.5768 -15.5708 -15.5708 -0.4743 -0.4743 -0.4597 -0.4597 -0.4041 -0.4041 -0.3885 -0.3885 -0.0870 -0.0870 -0.0733 -0.0733 0.0477 0.0477 0.0616 0.0616 0.1516 0.1516 0.1864 0.1864 2.7946 2.7946 3.4297 3.4297 5.7082 5.7082 6.2869 6.2869 6.6024 6.6024 6.7749 6.7749 7.6385 7.6385 7.8276 7.8276 k = 0.0000 0.7812 0.6370 ( 3854 PWs) bands (ev): -34.7038 -34.7038 -34.7034 -34.7034 -15.9710 -15.9710 -15.9693 -15.9693 -15.6101 -15.6101 -15.6052 -15.6052 -15.5760 -15.5760 -15.5715 -15.5715 -0.4725 -0.4725 -0.4614 -0.4614 -0.4023 -0.4023 -0.3906 -0.3906 -0.0853 -0.0853 -0.0750 -0.0750 0.0498 0.0498 0.0604 0.0604 0.1560 0.1560 0.1823 0.1823 2.8688 2.8688 3.3464 3.3464 5.7791 5.7791 6.2150 6.2150 6.6290 6.6290 6.7642 6.7642 7.6466 7.6466 7.7940 7.7940 k = 0.0000 0.7812 0.6563 ( 3850 PWs) bands (ev): -34.7038 -34.7038 -34.7035 -34.7035 -15.9708 -15.9708 -15.9696 -15.9696 -15.6094 -15.6094 -15.6061 -15.6061 -15.5753 -15.5753 -15.5722 -15.5722 -0.4707 -0.4707 -0.4632 -0.4632 -0.4005 -0.4005 -0.3926 -0.3926 -0.0835 -0.0835 -0.0767 -0.0767 0.0519 0.0519 0.0590 0.0590 0.1604 0.1604 0.1781 0.1781 2.9448 2.9448 3.2638 3.2638 5.8509 5.8509 6.1424 6.1424 6.6556 6.6556 6.7486 6.7486 7.6609 7.6609 7.7619 7.7619 k = 0.0000 0.7812 0.6756 ( 3852 PWs) bands (ev): -34.7037 -34.7037 -34.7035 -34.7035 -15.9705 -15.9705 -15.9699 -15.9699 -15.6086 -15.6086 -15.6070 -15.6070 -15.5745 -15.5745 -15.5730 -15.5730 -0.4688 -0.4688 -0.4651 -0.4651 -0.3987 -0.3987 -0.3947 -0.3947 -0.0818 -0.0818 -0.0784 -0.0784 0.0539 0.0539 0.0574 0.0574 0.1648 0.1648 0.1737 0.1737 3.0224 3.0224 3.1821 3.1821 5.9235 5.9235 6.0695 6.0695 6.6816 6.6816 6.7290 6.7290 7.6805 7.6805 7.7318 7.7318 k = 0.0000 0.7812 0.6949 ( 3852 PWs) bands (ev): -34.7036 -34.7036 -34.7036 -34.7036 -15.9702 -15.9702 -15.9702 -15.9702 -15.6078 -15.6078 -15.6078 -15.6078 -15.5737 -15.5737 -15.5737 -15.5737 -0.4670 -0.4670 -0.4670 -0.4670 -0.3967 -0.3967 -0.3967 -0.3967 -0.0801 -0.0801 -0.0801 -0.0801 0.0557 0.0557 0.0557 0.0557 0.1693 0.1693 0.1693 0.1693 3.1016 3.1016 3.1016 3.1016 5.9964 5.9964 5.9964 5.9964 6.7064 6.7064 6.7064 6.7064 7.7045 7.7045 7.7045 7.7045 k = 0.0000 0.7812 0.6949 ( 3852 PWs) bands (ev): -34.7036 -34.7036 -34.7036 -34.7036 -15.9702 -15.9702 -15.9702 -15.9702 -15.6078 -15.6078 -15.6078 -15.6078 -15.5737 -15.5737 -15.5737 -15.5737 -0.4670 -0.4670 -0.4670 -0.4670 -0.3967 -0.3967 -0.3967 -0.3967 -0.0801 -0.0801 -0.0801 -0.0801 0.0557 0.0557 0.0557 0.0557 0.1693 0.1693 0.1693 0.1693 3.1016 3.1016 3.1016 3.1016 5.9964 5.9964 5.9964 5.9964 6.7064 6.7064 6.7064 6.7064 7.7045 7.7045 7.7045 7.7045 k = 0.0188 0.7812 0.6949 ( 3848 PWs) bands (ev): -34.7036 -34.7036 -34.7036 -34.7036 -15.9703 -15.9703 -15.9702 -15.9702 -15.6088 -15.6088 -15.6068 -15.6068 -15.5747 -15.5747 -15.5728 -15.5728 -0.4671 -0.4671 -0.4668 -0.4668 -0.3971 -0.3971 -0.3963 -0.3963 -0.0805 -0.0805 -0.0797 -0.0797 0.0557 0.0557 0.0558 0.0558 0.1692 0.1692 0.1693 0.1693 3.1016 3.1016 3.1019 3.1019 5.9961 5.9961 5.9978 5.9978 6.7025 6.7025 6.7027 6.7027 7.7072 7.7072 7.7083 7.7083 k = 0.0377 0.7812 0.6949 ( 3852 PWs) bands (ev): -34.7036 -34.7036 -34.7036 -34.7036 -15.9704 -15.9704 -15.9701 -15.9701 -15.6098 -15.6098 -15.6058 -15.6058 -15.5757 -15.5757 -15.5719 -15.5719 -0.4672 -0.4672 -0.4667 -0.4667 -0.3975 -0.3975 -0.3958 -0.3958 -0.0809 -0.0809 -0.0793 -0.0793 0.0557 0.0557 0.0558 0.0558 0.1692 0.1692 0.1693 0.1693 3.1020 3.1020 3.1026 3.1026 5.9969 5.9969 6.0002 6.0002 6.6914 6.6914 6.6918 6.6918 7.7162 7.7162 7.7185 7.7185 k = 0.0565 0.7812 0.6949 ( 3850 PWs) bands (ev): -34.7036 -34.7036 -34.7036 -34.7036 -15.9704 -15.9704 -15.9701 -15.9701 -15.6107 -15.6107 -15.6047 -15.6047 -15.5767 -15.5767 -15.5710 -15.5710 -0.4673 -0.4673 -0.4666 -0.4666 -0.3980 -0.3980 -0.3954 -0.3954 -0.0813 -0.0813 -0.0789 -0.0789 0.0557 0.0557 0.0558 0.0558 0.1691 0.1691 0.1693 0.1693 3.1027 3.1027 3.1036 3.1036 5.9988 5.9988 6.0038 6.0038 6.6735 6.6735 6.6743 6.6743 7.7310 7.7310 7.7343 7.7343 k = 0.0754 0.7812 0.6949 ( 3848 PWs) bands (ev): -34.7036 -34.7036 -34.7036 -34.7036 -15.9705 -15.9705 -15.9700 -15.9700 -15.6115 -15.6115 -15.6036 -15.6036 -15.5777 -15.5777 -15.5702 -15.5702 -0.4674 -0.4674 -0.4665 -0.4665 -0.3984 -0.3984 -0.3950 -0.3950 -0.0816 -0.0816 -0.0786 -0.0786 0.0556 0.0556 0.0558 0.0558 0.1690 0.1690 0.1693 0.1693 3.1037 3.1037 3.1049 3.1049 6.0016 6.0016 6.0083 6.0083 6.6500 6.6500 6.6513 6.6513 7.7506 7.7506 7.7548 7.7548 k = 0.0942 0.7812 0.6949 ( 3848 PWs) bands (ev): -34.7036 -34.7036 -34.7036 -34.7036 -15.9705 -15.9705 -15.9700 -15.9700 -15.6123 -15.6123 -15.6025 -15.6025 -15.5787 -15.5787 -15.5694 -15.5694 -0.4675 -0.4675 -0.4664 -0.4664 -0.3988 -0.3988 -0.3946 -0.3946 -0.0820 -0.0820 -0.0782 -0.0782 0.0556 0.0556 0.0558 0.0558 0.1689 0.1689 0.1693 0.1693 3.1049 3.1049 3.1064 3.1064 6.0052 6.0052 6.0139 6.0139 6.6220 6.6220 6.6241 6.6241 7.7739 7.7739 7.7789 7.7789 k = 0.1131 0.7812 0.6949 ( 3854 PWs) bands (ev): -34.7036 -34.7036 -34.7036 -34.7036 -15.9706 -15.9706 -15.9699 -15.9699 -15.6131 -15.6131 -15.6014 -15.6014 -15.5797 -15.5797 -15.5687 -15.5687 -0.4676 -0.4676 -0.4663 -0.4663 -0.3991 -0.3991 -0.3943 -0.3943 -0.0824 -0.0824 -0.0779 -0.0779 0.0555 0.0555 0.0558 0.0558 0.1688 0.1688 0.1693 0.1693 3.1063 3.1063 3.1080 3.1080 6.0096 6.0096 6.0202 6.0202 6.5907 6.5907 6.5938 6.5938 7.7996 7.7996 7.8053 7.8053 k = 0.1319 0.7812 0.6949 ( 3852 PWs) bands (ev): -34.7036 -34.7036 -34.7036 -34.7036 -15.9706 -15.9706 -15.9699 -15.9699 -15.6138 -15.6138 -15.6002 -15.6002 -15.5807 -15.5807 -15.5679 -15.5679 -0.4677 -0.4677 -0.4662 -0.4662 -0.3995 -0.3995 -0.3939 -0.3939 -0.0827 -0.0827 -0.0775 -0.0775 0.0554 0.0554 0.0558 0.0558 0.1687 0.1687 0.1692 0.1692 3.1078 3.1078 3.1098 3.1098 6.0146 6.0146 6.0272 6.0272 6.5574 6.5574 6.5618 6.5618 7.8268 7.8268 7.8330 7.8330 k = 0.1508 0.7812 0.6949 ( 3850 PWs) bands (ev): -34.7036 -34.7036 -34.7036 -34.7036 -15.9707 -15.9707 -15.9698 -15.9698 -15.6144 -15.6144 -15.5991 -15.5991 -15.5817 -15.5817 -15.5673 -15.5673 -0.4678 -0.4678 -0.4661 -0.4661 -0.3998 -0.3998 -0.3936 -0.3936 -0.0830 -0.0830 -0.0772 -0.0772 0.0554 0.0554 0.0558 0.0558 0.1686 0.1686 0.1691 0.1691 3.1093 3.1093 3.1116 3.1116 6.0198 6.0198 6.0347 6.0347 6.5232 6.5232 6.5293 6.5293 7.8545 7.8545 7.8611 7.8611 k = 0.1696 0.7812 0.6949 ( 3852 PWs) bands (ev): -34.7036 -34.7036 -34.7036 -34.7036 -15.9707 -15.9707 -15.9698 -15.9698 -15.6150 -15.6150 -15.5980 -15.5980 -15.5827 -15.5827 -15.5666 -15.5666 -0.4678 -0.4678 -0.4660 -0.4660 -0.4001 -0.4001 -0.3933 -0.3933 -0.0833 -0.0833 -0.0770 -0.0770 0.0553 0.0553 0.0557 0.0557 0.1684 0.1684 0.1690 0.1690 3.1107 3.1107 3.1132 3.1132 6.0250 6.0250 6.0423 6.0423 6.4895 6.4895 6.4973 6.4973 7.8816 7.8816 7.8887 7.8887 k = 0.1885 0.7812 0.6949 ( 3852 PWs) bands (ev): -34.7036 -34.7036 -34.7036 -34.7036 -15.9707 -15.9707 -15.9697 -15.9697 -15.6155 -15.6155 -15.5969 -15.5969 -15.5837 -15.5837 -15.5661 -15.5661 -0.4679 -0.4679 -0.4659 -0.4659 -0.4003 -0.4003 -0.3930 -0.3930 -0.0836 -0.0836 -0.0767 -0.0767 0.0552 0.0552 0.0557 0.0557 0.1683 0.1683 0.1689 0.1689 3.1119 3.1119 3.1146 3.1146 6.0298 6.0298 6.0496 6.0496 6.4573 6.4573 6.4672 6.4672 7.9077 7.9077 7.9150 7.9150 k = 0.2073 0.7812 0.6949 ( 3852 PWs) bands (ev): -34.7037 -34.7037 -34.7037 -34.7037 -15.9708 -15.9708 -15.9697 -15.9697 -15.6159 -15.6159 -15.5959 -15.5959 -15.5846 -15.5846 -15.5656 -15.5656 -0.4679 -0.4679 -0.4659 -0.4659 -0.4005 -0.4005 -0.3928 -0.3928 -0.0838 -0.0838 -0.0765 -0.0765 0.0551 0.0551 0.0557 0.0557 0.1681 0.1681 0.1687 0.1687 3.1127 3.1127 3.1157 3.1157 6.0338 6.0338 6.0562 6.0562 6.4279 6.4279 6.4399 6.4399 7.9320 7.9320 7.9394 7.9394 k = 0.2262 0.7812 0.6949 ( 3852 PWs) bands (ev): -34.7037 -34.7037 -34.7037 -34.7037 -15.9708 -15.9708 -15.9697 -15.9697 -15.6163 -15.6163 -15.5949 -15.5949 -15.5855 -15.5855 -15.5651 -15.5651 -0.4679 -0.4679 -0.4658 -0.4658 -0.4007 -0.4007 -0.3925 -0.3925 -0.0840 -0.0840 -0.0763 -0.0763 0.0551 0.0551 0.0557 0.0557 0.1680 0.1680 0.1685 0.1685 3.1132 3.1132 3.1163 3.1163 6.0364 6.0364 6.0612 6.0612 6.4024 6.4024 6.4166 6.4166 7.9539 7.9539 7.9616 7.9616 k = 0.2450 0.7812 0.6949 ( 3858 PWs) bands (ev): -34.7037 -34.7037 -34.7037 -34.7037 -15.9708 -15.9708 -15.9697 -15.9697 -15.6166 -15.6166 -15.5940 -15.5940 -15.5862 -15.5862 -15.5647 -15.5647 -0.4680 -0.4680 -0.4657 -0.4657 -0.4009 -0.4009 -0.3924 -0.3924 -0.0843 -0.0843 -0.0762 -0.0762 0.0550 0.0550 0.0557 0.0557 0.1678 0.1678 0.1683 0.1683 3.1130 3.1130 3.1163 3.1163 6.0373 6.0373 6.0641 6.0641 6.3821 6.3821 6.3983 6.3983 7.9732 7.9732 7.9810 7.9810 k = 0.2639 0.7812 0.6949 ( 3860 PWs) bands (ev): -34.7037 -34.7037 -34.7037 -34.7037 -15.9708 -15.9708 -15.9696 -15.9696 -15.6169 -15.6169 -15.5933 -15.5933 -15.5868 -15.5868 -15.5644 -15.5644 -0.4680 -0.4680 -0.4657 -0.4657 -0.4010 -0.4010 -0.3922 -0.3922 -0.0844 -0.0844 -0.0760 -0.0760 0.0549 0.0549 0.0557 0.0557 0.1676 0.1676 0.1681 0.1681 3.1121 3.1121 3.1155 3.1155 6.0360 6.0360 6.0643 6.0643 6.3680 6.3680 6.3855 6.3855 7.9896 7.9896 7.9974 7.9974 k = 0.2827 0.7812 0.6949 ( 3862 PWs) bands (ev): -34.7037 -34.7037 -34.7037 -34.7037 -15.9708 -15.9708 -15.9696 -15.9696 -15.6170 -15.6170 -15.5928 -15.5928 -15.5872 -15.5872 -15.5641 -15.5641 -0.4680 -0.4680 -0.4657 -0.4657 -0.4011 -0.4011 -0.3921 -0.3921 -0.0845 -0.0845 -0.0759 -0.0759 0.0548 0.0548 0.0557 0.0557 0.1674 0.1674 0.1679 0.1679 3.1104 3.1104 3.1139 3.1139 6.0326 6.0326 6.0615 6.0615 6.3608 6.3608 6.3787 6.3787 8.0027 8.0027 8.0106 8.0106 k = 0.2827 0.7812 0.6949 ( 3862 PWs) bands (ev): -34.7037 -34.7037 -34.7037 -34.7037 -15.9708 -15.9708 -15.9696 -15.9696 -15.6170 -15.6170 -15.5928 -15.5928 -15.5872 -15.5872 -15.5641 -15.5641 -0.4680 -0.4680 -0.4657 -0.4657 -0.4011 -0.4011 -0.3921 -0.3921 -0.0845 -0.0845 -0.0759 -0.0759 0.0548 0.0548 0.0557 0.0557 0.1674 0.1674 0.1679 0.1679 3.1104 3.1104 3.1139 3.1139 6.0326 6.0326 6.0615 6.0615 6.3608 6.3608 6.3787 6.3787 8.0027 8.0027 8.0106 8.0106 k = 0.2762 0.7631 0.6949 ( 3858 PWs) bands (ev): -34.7037 -34.7037 -34.7037 -34.7037 -15.9708 -15.9708 -15.9697 -15.9697 -15.6166 -15.6166 -15.5937 -15.5937 -15.5866 -15.5866 -15.5649 -15.5649 -0.4680 -0.4680 -0.4658 -0.4658 -0.4009 -0.4009 -0.3924 -0.3924 -0.0842 -0.0842 -0.0762 -0.0762 0.0551 0.0551 0.0557 0.0557 0.1679 0.1679 0.1685 0.1685 3.1153 3.1153 3.1185 3.1185 6.0423 6.0423 6.0702 6.0702 6.3790 6.3790 6.3960 6.3960 7.9692 7.9692 7.9770 7.9770 k = 0.2696 0.7449 0.6949 ( 3850 PWs) bands (ev): -34.7036 -34.7036 -34.7036 -34.7036 -15.9708 -15.9708 -15.9697 -15.9697 -15.6161 -15.6161 -15.5945 -15.5945 -15.5860 -15.5860 -15.5656 -15.5656 -0.4680 -0.4680 -0.4658 -0.4658 -0.4007 -0.4007 -0.3927 -0.3927 -0.0838 -0.0838 -0.0764 -0.0764 0.0553 0.0553 0.0557 0.0557 0.1683 0.1683 0.1691 0.1691 3.1169 3.1169 3.1198 3.1198 6.0476 6.0476 6.0736 6.0736 6.4078 6.4078 6.4228 6.4228 7.9380 7.9380 7.9458 7.9458 k = 0.2630 0.7267 0.6949 ( 3862 PWs) bands (ev): -34.7036 -34.7036 -34.7036 -34.7036 -15.9709 -15.9709 -15.9698 -15.9698 -15.6156 -15.6156 -15.5954 -15.5954 -15.5855 -15.5855 -15.5663 -15.5663 -0.4681 -0.4681 -0.4660 -0.4660 -0.4005 -0.4005 -0.3930 -0.3930 -0.0835 -0.0835 -0.0768 -0.0768 0.0555 0.0555 0.0557 0.0557 0.1685 0.1685 0.1695 0.1695 3.1149 3.1149 3.1175 3.1175 6.0521 6.0521 6.0758 6.0758 6.4426 6.4426 6.4554 6.4554 7.9093 7.9093 7.9170 7.9170 k = 0.2564 0.7086 0.6949 ( 3858 PWs) bands (ev): -34.7036 -34.7036 -34.7036 -34.7036 -15.9708 -15.9708 -15.9698 -15.9698 -15.6150 -15.6150 -15.5962 -15.5962 -15.5848 -15.5848 -15.5670 -15.5670 -0.4680 -0.4680 -0.4660 -0.4660 -0.4002 -0.4002 -0.3933 -0.3933 -0.0832 -0.0832 -0.0771 -0.0771 0.0557 0.0557 0.0557 0.0557 0.1686 0.1686 0.1698 0.1698 3.1094 3.1094 3.1116 3.1116 6.0583 6.0583 6.0800 6.0800 6.4801 6.4801 6.4909 6.4909 7.8829 7.8829 7.8906 7.8906 k = 0.2499 0.6904 0.6949 ( 3854 PWs) bands (ev): -34.7036 -34.7036 -34.7036 -34.7036 -15.9707 -15.9707 -15.9697 -15.9697 -15.6143 -15.6143 -15.5969 -15.5969 -15.5842 -15.5842 -15.5678 -15.5678 -0.4680 -0.4680 -0.4661 -0.4661 -0.3998 -0.3998 -0.3935 -0.3935 -0.0829 -0.0829 -0.0775 -0.0775 0.0557 0.0557 0.0559 0.0559 0.1686 0.1686 0.1700 0.1700 3.1003 3.1003 3.1022 3.1022 6.0680 6.0680 6.0880 6.0880 6.5182 6.5182 6.5273 6.5273 7.8588 7.8588 7.8665 7.8665 k = 0.2433 0.6722 0.6949 ( 3862 PWs) bands (ev): -34.7036 -34.7036 -34.7036 -34.7036 -15.9707 -15.9707 -15.9697 -15.9697 -15.6136 -15.6136 -15.5976 -15.5976 -15.5836 -15.5836 -15.5685 -15.5685 -0.4680 -0.4680 -0.4662 -0.4662 -0.3994 -0.3994 -0.3937 -0.3937 -0.0826 -0.0826 -0.0778 -0.0778 0.0556 0.0556 0.0561 0.0561 0.1685 0.1685 0.1700 0.1700 3.0877 3.0877 3.0893 3.0893 6.0822 6.0822 6.1009 6.1009 6.5554 6.5554 6.5632 6.5632 7.8370 7.8370 7.8446 7.8446 k = 0.2367 0.6540 0.6949 ( 3870 PWs) bands (ev): -34.7036 -34.7036 -34.7036 -34.7036 -15.9706 -15.9706 -15.9696 -15.9696 -15.6129 -15.6129 -15.5983 -15.5983 -15.5829 -15.5829 -15.5692 -15.5692 -0.4680 -0.4680 -0.4663 -0.4663 -0.3990 -0.3990 -0.3939 -0.3939 -0.0824 -0.0824 -0.0782 -0.0782 0.0555 0.0555 0.0562 0.0562 0.1682 0.1682 0.1699 0.1699 3.0717 3.0717 3.0729 3.0729 6.1015 6.1015 6.1191 6.1191 6.5908 6.5908 6.5975 6.5975 7.8171 7.8171 7.8247 7.8247 k = 0.2301 0.6359 0.6949 ( 3870 PWs) bands (ev): -34.7037 -34.7037 -34.7037 -34.7037 -15.9704 -15.9704 -15.9695 -15.9695 -15.6120 -15.6120 -15.5989 -15.5989 -15.5822 -15.5822 -15.5699 -15.5699 -0.4679 -0.4679 -0.4664 -0.4664 -0.3985 -0.3985 -0.3940 -0.3940 -0.0821 -0.0821 -0.0787 -0.0787 0.0555 0.0555 0.0563 0.0563 0.1678 0.1678 0.1697 0.1697 3.0525 3.0525 3.0534 3.0534 6.1262 6.1262 6.1430 6.1430 6.6237 6.6237 6.6297 6.6297 7.7991 7.7991 7.8066 7.8066 k = 0.2236 0.6177 0.6949 ( 3872 PWs) bands (ev): -34.7037 -34.7037 -34.7037 -34.7037 -15.9702 -15.9702 -15.9694 -15.9694 -15.6111 -15.6111 -15.5994 -15.5994 -15.5816 -15.5816 -15.5706 -15.5706 -0.4679 -0.4679 -0.4664 -0.4664 -0.3980 -0.3980 -0.3941 -0.3941 -0.0819 -0.0819 -0.0791 -0.0791 0.0554 0.0554 0.0564 0.0564 0.1673 0.1673 0.1693 0.1693 3.0303 3.0303 3.0309 3.0309 6.1563 6.1563 6.1725 6.1725 6.6538 6.6538 6.6593 6.6593 7.7826 7.7826 7.7900 7.7900 k = 0.2170 0.5995 0.6949 ( 3872 PWs) bands (ev): -34.7037 -34.7037 -34.7037 -34.7037 -15.9700 -15.9700 -15.9692 -15.9692 -15.6102 -15.6102 -15.5999 -15.5999 -15.5809 -15.5809 -15.5713 -15.5713 -0.4678 -0.4678 -0.4665 -0.4665 -0.3974 -0.3974 -0.3941 -0.3941 -0.0817 -0.0817 -0.0795 -0.0795 0.0554 0.0554 0.0565 0.0565 0.1667 0.1667 0.1689 0.1689 3.0055 3.0055 3.0057 3.0057 6.1917 6.1917 6.2075 6.2075 6.6809 6.6809 6.6861 6.6861 7.7673 7.7673 7.7747 7.7747 k = 0.2104 0.5814 0.6949 ( 3876 PWs) bands (ev): -34.7037 -34.7037 -34.7037 -34.7037 -15.9698 -15.9698 -15.9690 -15.9690 -15.6092 -15.6092 -15.6003 -15.6003 -15.5802 -15.5802 -15.5719 -15.5719 -0.4677 -0.4677 -0.4665 -0.4665 -0.3968 -0.3968 -0.3941 -0.3941 -0.0816 -0.0816 -0.0800 -0.0800 0.0553 0.0553 0.0566 0.0566 0.1660 0.1660 0.1683 0.1683 2.9781 2.9781 2.9782 2.9782 6.2320 6.2320 6.2477 6.2477 6.7048 6.7048 6.7100 6.7100 7.7529 7.7529 7.7602 7.7602 k = 0.2038 0.5632 0.6949 ( 3876 PWs) bands (ev): -34.7038 -34.7038 -34.7038 -34.7038 -15.9695 -15.9695 -15.9688 -15.9688 -15.6082 -15.6082 -15.6007 -15.6007 -15.5794 -15.5794 -15.5726 -15.5726 -0.4677 -0.4677 -0.4666 -0.4666 -0.3962 -0.3962 -0.3941 -0.3941 -0.0815 -0.0815 -0.0804 -0.0804 0.0552 0.0552 0.0566 0.0566 0.1652 0.1652 0.1676 0.1676 2.9485 2.9485 2.9488 2.9488 6.2770 6.2770 6.2928 6.2928 6.7256 6.7256 6.7311 6.7311 7.7389 7.7389 7.7461 7.7461 k = 0.1973 0.5450 0.6949 ( 3868 PWs) bands (ev): -34.7038 -34.7038 -34.7038 -34.7038 -15.9692 -15.9692 -15.9686 -15.9686 -15.6071 -15.6071 -15.6010 -15.6010 -15.5787 -15.5787 -15.5732 -15.5732 -0.4676 -0.4676 -0.4666 -0.4666 -0.3955 -0.3955 -0.3940 -0.3940 -0.0813 -0.0813 -0.0808 -0.0808 0.0551 0.0551 0.0567 0.0567 0.1642 0.1642 0.1668 0.1668 2.9170 2.9170 2.9176 2.9176 6.3261 6.3261 6.3424 6.3424 6.7435 6.7435 6.7495 6.7495 7.7250 7.7250 7.7321 7.7321 k = 0.1907 0.5269 0.6949 ( 3864 PWs) bands (ev): -34.7039 -34.7039 -34.7039 -34.7039 -15.9689 -15.9689 -15.9683 -15.9683 -15.6060 -15.6060 -15.6012 -15.6012 -15.5780 -15.5780 -15.5738 -15.5738 -0.4675 -0.4675 -0.4667 -0.4667 -0.3948 -0.3948 -0.3939 -0.3939 -0.0813 -0.0813 -0.0812 -0.0812 0.0550 0.0550 0.0567 0.0567 0.1632 0.1632 0.1659 0.1659 2.8840 2.8840 2.8850 2.8850 6.3789 6.3789 6.3960 6.3960 6.7587 6.7587 6.7658 6.7658 7.7108 7.7108 7.7178 7.7178 k = 0.1841 0.5087 0.6949 ( 3864 PWs) bands (ev): -34.7039 -34.7039 -34.7039 -34.7039 -15.9685 -15.9685 -15.9680 -15.9680 -15.6049 -15.6049 -15.6014 -15.6014 -15.5772 -15.5772 -15.5743 -15.5743 -0.4674 -0.4674 -0.4667 -0.4667 -0.3941 -0.3941 -0.3937 -0.3937 -0.0818 -0.0818 -0.0811 -0.0811 0.0549 0.0549 0.0567 0.0567 0.1622 0.1622 0.1650 0.1650 2.8499 2.8499 2.8511 2.8511 6.4345 6.4345 6.4531 6.4531 6.7718 6.7718 6.7804 6.7804 7.6959 7.6959 7.7029 7.7029 k = 0.1775 0.4905 0.6949 ( 3868 PWs) bands (ev): -34.7040 -34.7040 -34.7040 -34.7040 -15.9682 -15.9682 -15.9677 -15.9677 -15.6038 -15.6038 -15.6016 -15.6016 -15.5765 -15.5765 -15.5749 -15.5749 -0.4673 -0.4673 -0.4668 -0.4668 -0.3936 -0.3936 -0.3934 -0.3934 -0.0823 -0.0823 -0.0810 -0.0810 0.0548 0.0548 0.0567 0.0567 0.1610 0.1610 0.1639 0.1639 2.8150 2.8150 2.8163 2.8163 6.4920 6.4920 6.5127 6.5127 6.7834 6.7834 6.7943 6.7943 7.6802 7.6802 7.6871 7.6871 k = 0.1710 0.4724 0.6949 ( 3868 PWs) bands (ev): -34.7040 -34.7040 -34.7040 -34.7040 -15.9678 -15.9678 -15.9674 -15.9674 -15.6026 -15.6026 -15.6018 -15.6018 -15.5758 -15.5758 -15.5754 -15.5754 -0.4672 -0.4672 -0.4668 -0.4668 -0.3935 -0.3935 -0.3926 -0.3926 -0.0828 -0.0828 -0.0810 -0.0810 0.0546 0.0546 0.0566 0.0566 0.1598 0.1598 0.1628 0.1628 2.7794 2.7794 2.7810 2.7810 6.5496 6.5496 6.5734 6.5734 6.7947 6.7947 6.8090 6.8090 7.6635 7.6635 7.6704 7.6704 k = 0.1644 0.4542 0.6949 ( 3868 PWs) bands (ev): -34.7041 -34.7041 -34.7041 -34.7041 -15.9674 -15.9674 -15.9670 -15.9670 -15.6019 -15.6019 -15.6015 -15.6015 -15.5758 -15.5758 -15.5750 -15.5750 -0.4672 -0.4672 -0.4668 -0.4668 -0.3933 -0.3933 -0.3919 -0.3919 -0.0833 -0.0833 -0.0809 -0.0809 0.0544 0.0544 0.0565 0.0565 0.1585 0.1585 0.1616 0.1616 2.7435 2.7435 2.7453 2.7453 6.6046 6.6046 6.6328 6.6328 6.8082 6.8082 6.8269 6.8269 7.6457 7.6457 7.6527 7.6527 k = 0.1578 0.4360 0.6949 ( 3872 PWs) bands (ev): -34.7042 -34.7042 -34.7042 -34.7042 -15.9671 -15.9671 -15.9667 -15.9667 -15.6019 -15.6019 -15.6004 -15.6004 -15.5762 -15.5762 -15.5743 -15.5743 -0.4671 -0.4671 -0.4669 -0.4669 -0.3931 -0.3931 -0.3912 -0.3912 -0.0837 -0.0837 -0.0809 -0.0809 0.0542 0.0542 0.0564 0.0564 0.1572 0.1572 0.1603 0.1603 2.7075 2.7075 2.7094 2.7094 6.6528 6.6528 6.6852 6.6852 6.8291 6.8291 6.8522 6.8522 7.6270 7.6270 7.6341 7.6341 k = 0.1512 0.4179 0.6949 ( 3864 PWs) bands (ev): -34.7042 -34.7042 -34.7042 -34.7042 -15.9667 -15.9667 -15.9663 -15.9663 -15.6019 -15.6019 -15.5992 -15.5992 -15.5766 -15.5766 -15.5736 -15.5736 -0.4670 -0.4670 -0.4669 -0.4669 -0.3928 -0.3928 -0.3905 -0.3905 -0.0842 -0.0842 -0.0809 -0.0809 0.0540 0.0540 0.0563 0.0563 0.1559 0.1559 0.1591 0.1591 2.6717 2.6717 2.6737 2.6737 6.6894 6.6894 6.7223 6.7223 6.8657 6.8657 6.8893 6.8893 7.6075 7.6075 7.6148 7.6148 k = 0.1447 0.3997 0.6949 ( 3868 PWs) bands (ev): -34.7043 -34.7043 -34.7043 -34.7043 -15.9663 -15.9663 -15.9660 -15.9660 -15.6019 -15.6019 -15.5982 -15.5982 -15.5769 -15.5769 -15.5729 -15.5729 -0.4669 -0.4669 -0.4669 -0.4669 -0.3926 -0.3926 -0.3899 -0.3899 -0.0846 -0.0846 -0.0810 -0.0810 0.0538 0.0538 0.0561 0.0561 0.1545 0.1545 0.1578 0.1578 2.6362 2.6362 2.6384 2.6384 6.7129 6.7129 6.7419 6.7419 6.9197 6.9197 6.9395 6.9395 7.5875 7.5875 7.5951 7.5951 k = 0.1381 0.3815 0.6949 ( 3864 PWs) bands (ev): -34.7044 -34.7044 -34.7044 -34.7044 -15.9659 -15.9659 -15.9656 -15.9656 -15.6018 -15.6018 -15.5972 -15.5972 -15.5771 -15.5771 -15.5722 -15.5722 -0.4669 -0.4669 -0.4668 -0.4668 -0.3923 -0.3923 -0.3892 -0.3892 -0.0850 -0.0850 -0.0810 -0.0810 0.0535 0.0535 0.0559 0.0559 0.1532 0.1532 0.1565 0.1565 2.6012 2.6012 2.6035 2.6035 6.7259 6.7259 6.7503 6.7503 6.9845 6.9845 6.9995 6.9995 7.5676 7.5676 7.5755 7.5755 k = 0.1315 0.3634 0.6949 ( 3860 PWs) bands (ev): -34.7044 -34.7044 -34.7044 -34.7044 -15.9654 -15.9654 -15.9652 -15.9652 -15.6017 -15.6017 -15.5962 -15.5962 -15.5772 -15.5772 -15.5715 -15.5715 -0.4669 -0.4669 -0.4668 -0.4668 -0.3920 -0.3920 -0.3886 -0.3886 -0.0854 -0.0854 -0.0811 -0.0811 0.0533 0.0533 0.0557 0.0557 0.1519 0.1519 0.1552 0.1552 2.5670 2.5670 2.5694 2.5694 6.7323 6.7323 6.7528 6.7528 7.0540 7.0540 7.0649 7.0649 7.5484 7.5484 7.5568 7.5568 k = 0.1249 0.3452 0.6949 ( 3860 PWs) bands (ev): -34.7045 -34.7045 -34.7045 -34.7045 -15.9650 -15.9650 -15.9649 -15.9649 -15.6016 -15.6016 -15.5954 -15.5954 -15.5772 -15.5772 -15.5708 -15.5708 -0.4670 -0.4670 -0.4667 -0.4667 -0.3917 -0.3917 -0.3880 -0.3880 -0.0858 -0.0858 -0.0812 -0.0812 0.0530 0.0530 0.0555 0.0555 0.1506 0.1506 0.1539 0.1539 2.5336 2.5336 2.5361 2.5361 6.7345 6.7345 6.7522 6.7522 7.1243 7.1243 7.1320 7.1320 7.5310 7.5310 7.5401 7.5401 k = 0.1184 0.3270 0.6949 ( 3854 PWs) bands (ev): -34.7046 -34.7046 -34.7046 -34.7046 -15.9646 -15.9646 -15.9645 -15.9645 -15.6014 -15.6014 -15.5946 -15.5946 -15.5771 -15.5771 -15.5701 -15.5701 -0.4670 -0.4670 -0.4667 -0.4667 -0.3914 -0.3914 -0.3874 -0.3874 -0.0862 -0.0862 -0.0813 -0.0813 0.0527 0.0527 0.0553 0.0553 0.1493 0.1493 0.1526 0.1526 2.5013 2.5013 2.5037 2.5037 6.7340 6.7340 6.7495 6.7495 7.1924 7.1924 7.1971 7.1971 7.5175 7.5175 7.5276 7.5276 k = 0.1118 0.3089 0.6949 ( 3842 PWs) bands (ev): -34.7046 -34.7046 -34.7046 -34.7046 -15.9642 -15.9642 -15.9641 -15.9641 -15.6012 -15.6012 -15.5940 -15.5940 -15.5768 -15.5768 -15.5694 -15.5694 -0.4670 -0.4670 -0.4666 -0.4666 -0.3910 -0.3910 -0.3869 -0.3869 -0.0865 -0.0865 -0.0814 -0.0814 0.0524 0.0524 0.0550 0.0550 0.1481 0.1481 0.1514 0.1514 2.4701 2.4701 2.4726 2.4726 6.7317 6.7317 6.7455 6.7455 7.2536 7.2536 7.2556 7.2556 7.5118 7.5118 7.5232 7.5232 k = 0.1052 0.2907 0.6949 ( 3850 PWs) bands (ev): -34.7047 -34.7047 -34.7047 -34.7047 -15.9639 -15.9639 -15.9638 -15.9638 -15.6010 -15.6010 -15.5935 -15.5935 -15.5765 -15.5765 -15.5689 -15.5689 -0.4670 -0.4670 -0.4666 -0.4666 -0.3908 -0.3908 -0.3865 -0.3865 -0.0868 -0.0868 -0.0815 -0.0815 0.0521 0.0521 0.0547 0.0547 0.1469 0.1469 0.1501 0.1501 2.4401 2.4401 2.4426 2.4426 6.7280 6.7280 6.7405 6.7405 7.3002 7.3002 7.3004 7.3004 7.5207 7.5207 7.5333 7.5333 k = 0.0986 0.2725 0.6949 ( 3846 PWs) bands (ev): -34.7048 -34.7048 -34.7048 -34.7048 -15.9635 -15.9635 -15.9634 -15.9634 -15.6008 -15.6008 -15.5931 -15.5931 -15.5761 -15.5761 -15.5683 -15.5683 -0.4670 -0.4670 -0.4665 -0.4665 -0.3904 -0.3904 -0.3860 -0.3860 -0.0871 -0.0871 -0.0816 -0.0816 0.0517 0.0517 0.0544 0.0544 0.1458 0.1458 0.1489 0.1489 2.4116 2.4116 2.4140 2.4140 6.7235 6.7235 6.7348 6.7348 7.3248 7.3248 7.3258 7.3258 7.5512 7.5512 7.5636 7.5636 k = 0.0921 0.2544 0.6949 ( 3846 PWs) bands (ev): -34.7048 -34.7048 -34.7048 -34.7048 -15.9632 -15.9632 -15.9631 -15.9631 -15.6006 -15.6006 -15.5929 -15.5929 -15.5755 -15.5755 -15.5677 -15.5677 -0.4670 -0.4670 -0.4665 -0.4665 -0.3901 -0.3901 -0.3857 -0.3857 -0.0873 -0.0873 -0.0818 -0.0818 0.0514 0.0514 0.0540 0.0540 0.1448 0.1448 0.1477 0.1477 2.3845 2.3845 2.3868 2.3868 6.7182 6.7182 6.7285 6.7285 7.3312 7.3312 7.3318 7.3318 7.6008 7.6008 7.6119 7.6119 k = 0.0855 0.2362 0.6949 ( 3850 PWs) bands (ev): -34.7049 -34.7049 -34.7049 -34.7049 -15.9629 -15.9629 -15.9628 -15.9628 -15.6004 -15.6004 -15.5928 -15.5928 -15.5749 -15.5749 -15.5672 -15.5672 -0.4671 -0.4671 -0.4665 -0.4665 -0.3898 -0.3898 -0.3854 -0.3854 -0.0875 -0.0875 -0.0821 -0.0821 0.0511 0.0511 0.0536 0.0536 0.1438 0.1438 0.1466 0.1466 2.3589 2.3589 2.3612 2.3612 6.7125 6.7125 6.7219 6.7219 7.3268 7.3268 7.3269 7.3269 7.6607 7.6607 7.6703 7.6703 k = 0.0789 0.2180 0.6949 ( 3850 PWs) bands (ev): -34.7050 -34.7050 -34.7050 -34.7050 -15.9626 -15.9626 -15.9625 -15.9625 -15.6001 -15.6001 -15.5928 -15.5928 -15.5742 -15.5742 -15.5668 -15.5668 -0.4670 -0.4670 -0.4665 -0.4665 -0.3895 -0.3895 -0.3851 -0.3851 -0.0876 -0.0876 -0.0823 -0.0823 0.0508 0.0508 0.0533 0.0533 0.1429 0.1429 0.1456 0.1456 2.3349 2.3349 2.3371 2.3371 6.7064 6.7064 6.7150 6.7150 7.3169 7.3169 7.3176 7.3176 7.7243 7.7243 7.7327 7.7327 k = 0.0723 0.1998 0.6949 ( 3854 PWs) bands (ev): -34.7050 -34.7050 -34.7050 -34.7050 -15.9623 -15.9623 -15.9623 -15.9623 -15.5998 -15.5998 -15.5928 -15.5928 -15.5734 -15.5734 -15.5664 -15.5664 -0.4671 -0.4671 -0.4665 -0.4665 -0.3892 -0.3892 -0.3849 -0.3849 -0.0877 -0.0877 -0.0825 -0.0825 0.0505 0.0505 0.0529 0.0529 0.1420 0.1420 0.1446 0.1446 2.3127 2.3127 2.3148 2.3148 6.7003 6.7003 6.7080 6.7080 7.3051 7.3051 7.3062 7.3062 7.7882 7.7882 7.7955 7.7955 k = 0.0658 0.1817 0.6949 ( 3850 PWs) bands (ev): -34.7051 -34.7051 -34.7051 -34.7051 -15.9620 -15.9620 -15.9620 -15.9620 -15.5995 -15.5995 -15.5930 -15.5930 -15.5726 -15.5726 -15.5661 -15.5661 -0.4670 -0.4670 -0.4665 -0.4665 -0.3888 -0.3888 -0.3848 -0.3848 -0.0877 -0.0877 -0.0828 -0.0828 0.0502 0.0502 0.0525 0.0525 0.1413 0.1413 0.1437 0.1437 2.2922 2.2922 2.2942 2.2942 6.6941 6.6941 6.7011 6.7011 7.2931 7.2931 7.2944 7.2944 7.8504 7.8504 7.8569 7.8569 k = 0.0592 0.1635 0.6949 ( 3846 PWs) bands (ev): -34.7051 -34.7051 -34.7051 -34.7051 -15.9618 -15.9618 -15.9617 -15.9617 -15.5992 -15.5992 -15.5932 -15.5932 -15.5718 -15.5718 -15.5657 -15.5657 -0.4670 -0.4670 -0.4665 -0.4665 -0.3885 -0.3885 -0.3847 -0.3847 -0.0877 -0.0877 -0.0830 -0.0830 0.0500 0.0500 0.0521 0.0521 0.1406 0.1406 0.1428 0.1428 2.2735 2.2735 2.2753 2.2753 6.6881 6.6881 6.6943 6.6943 7.2815 7.2815 7.2828 7.2828 7.9097 7.9097 7.9153 7.9153 k = 0.0526 0.1453 0.6949 ( 3854 PWs) bands (ev): -34.7052 -34.7052 -34.7052 -34.7052 -15.9616 -15.9616 -15.9616 -15.9616 -15.5989 -15.5989 -15.5934 -15.5934 -15.5711 -15.5711 -15.5655 -15.5655 -0.4670 -0.4670 -0.4666 -0.4666 -0.3882 -0.3882 -0.3847 -0.3847 -0.0877 -0.0877 -0.0834 -0.0834 0.0498 0.0498 0.0517 0.0517 0.1400 0.1400 0.1420 0.1420 2.2567 2.2567 2.2584 2.2584 6.6823 6.6823 6.6878 6.6878 7.2707 7.2707 7.2720 7.2720 7.9650 7.9650 7.9700 7.9700 k = 0.0460 0.1272 0.6949 ( 3860 PWs) bands (ev): -34.7052 -34.7052 -34.7052 -34.7052 -15.9614 -15.9614 -15.9614 -15.9614 -15.5986 -15.5986 -15.5937 -15.5937 -15.5703 -15.5703 -15.5654 -15.5654 -0.4671 -0.4671 -0.4666 -0.4666 -0.3879 -0.3879 -0.3847 -0.3847 -0.0876 -0.0876 -0.0837 -0.0837 0.0496 0.0496 0.0513 0.0513 0.1395 0.1395 0.1413 0.1413 2.2418 2.2418 2.2433 2.2433 6.6769 6.6769 6.6818 6.6818 7.2609 7.2609 7.2622 7.2622 8.0157 8.0157 8.0200 8.0200 k = 0.0395 0.1090 0.6949 ( 3860 PWs) bands (ev): -34.7053 -34.7053 -34.7053 -34.7053 -15.9612 -15.9612 -15.9612 -15.9612 -15.5982 -15.5982 -15.5940 -15.5940 -15.5695 -15.5695 -15.5653 -15.5653 -0.4671 -0.4671 -0.4667 -0.4667 -0.3876 -0.3876 -0.3847 -0.3847 -0.0875 -0.0875 -0.0840 -0.0840 0.0494 0.0494 0.0510 0.0510 0.1391 0.1391 0.1406 0.1406 2.2288 2.2288 2.2301 2.2301 6.6721 6.6721 6.6762 6.6762 7.2524 7.2524 7.2536 7.2536 8.0610 8.0610 8.0647 8.0647 k = 0.0329 0.0908 0.6949 ( 3856 PWs) bands (ev): -34.7053 -34.7053 -34.7053 -34.7053 -15.9611 -15.9611 -15.9610 -15.9610 -15.5979 -15.5979 -15.5943 -15.5943 -15.5688 -15.5688 -15.5652 -15.5652 -0.4670 -0.4670 -0.4667 -0.4667 -0.3872 -0.3872 -0.3848 -0.3848 -0.0873 -0.0873 -0.0843 -0.0843 0.0493 0.0493 0.0507 0.0507 0.1388 0.1388 0.1401 0.1401 2.2178 2.2178 2.2189 2.2189 6.6678 6.6678 6.6712 6.6712 7.2452 7.2452 7.2462 7.2462 8.1005 8.1005 8.1036 8.1036 k = 0.0263 0.0727 0.6949 ( 3844 PWs) bands (ev): -34.7053 -34.7053 -34.7053 -34.7053 -15.9609 -15.9609 -15.9609 -15.9609 -15.5975 -15.5975 -15.5946 -15.5946 -15.5681 -15.5681 -15.5653 -15.5653 -0.4670 -0.4670 -0.4667 -0.4667 -0.3869 -0.3869 -0.3849 -0.3849 -0.0871 -0.0871 -0.0846 -0.0846 0.0493 0.0493 0.0504 0.0504 0.1386 0.1386 0.1396 0.1396 2.2087 2.2087 2.2096 2.2096 6.6643 6.6643 6.6670 6.6670 7.2393 7.2393 7.2401 7.2401 8.1336 8.1336 8.1360 8.1360 k = 0.0197 0.0545 0.6949 ( 3848 PWs) bands (ev): -34.7053 -34.7053 -34.7053 -34.7053 -15.9608 -15.9608 -15.9608 -15.9608 -15.5972 -15.5972 -15.5950 -15.5950 -15.5676 -15.5676 -15.5654 -15.5654 -0.4670 -0.4670 -0.4668 -0.4668 -0.3866 -0.3866 -0.3851 -0.3851 -0.0868 -0.0868 -0.0849 -0.0849 0.0493 0.0493 0.0501 0.0501 0.1384 0.1384 0.1392 0.1392 2.2017 2.2017 2.2024 2.2024 6.6615 6.6615 6.6635 6.6635 7.2347 7.2347 7.2354 7.2354 8.1598 8.1598 8.1617 8.1617 k = 0.0132 0.0363 0.6949 ( 3842 PWs) bands (ev): -34.7054 -34.7054 -34.7054 -34.7054 -15.9607 -15.9607 -15.9607 -15.9607 -15.5968 -15.5968 -15.5953 -15.5953 -15.5670 -15.5670 -15.5655 -15.5655 -0.4669 -0.4669 -0.4668 -0.4668 -0.3863 -0.3863 -0.3853 -0.3853 -0.0865 -0.0865 -0.0853 -0.0853 0.0493 0.0493 0.0499 0.0499 0.1384 0.1384 0.1389 0.1389 2.1967 2.1967 2.1972 2.1972 6.6596 6.6596 6.6609 6.6609 7.2315 7.2315 7.2319 7.2319 8.1789 8.1789 8.1802 8.1802 k = 0.0066 0.0182 0.6949 ( 3850 PWs) bands (ev): -34.7054 -34.7054 -34.7054 -34.7054 -15.9607 -15.9607 -15.9607 -15.9607 -15.5964 -15.5964 -15.5957 -15.5957 -15.5666 -15.5666 -15.5658 -15.5658 -0.4669 -0.4669 -0.4669 -0.4669 -0.3861 -0.3861 -0.3855 -0.3855 -0.0863 -0.0863 -0.0856 -0.0856 0.0494 0.0494 0.0497 0.0497 0.1384 0.1384 0.1386 0.1386 2.1938 2.1938 2.1940 2.1940 6.6585 6.6585 6.6592 6.6592 7.2296 7.2296 7.2298 7.2298 8.1906 8.1906 8.1912 8.1912 k = 0.0000 0.0000 0.6949 ( 3842 PWs) bands (ev): -34.7054 -34.7054 -34.7054 -34.7054 -15.9607 -15.9607 -15.9607 -15.9607 -15.5960 -15.5960 -15.5960 -15.5960 -15.5661 -15.5661 -15.5661 -15.5661 -0.4669 -0.4669 -0.4669 -0.4669 -0.3858 -0.3858 -0.3858 -0.3858 -0.0859 -0.0859 -0.0859 -0.0859 0.0495 0.0495 0.0495 0.0495 0.1385 0.1385 0.1385 0.1385 2.1929 2.1929 2.1929 2.1929 6.6584 6.6584 6.6584 6.6584 7.2290 7.2290 7.2290 7.2290 8.1947 8.1947 8.1947 8.1947 k = 0.0000 0.0000 0.6949 ( 3842 PWs) bands (ev): -34.7054 -34.7054 -34.7054 -34.7054 -15.9607 -15.9607 -15.9607 -15.9607 -15.5960 -15.5960 -15.5960 -15.5960 -15.5661 -15.5661 -15.5661 -15.5661 -0.4669 -0.4669 -0.4669 -0.4669 -0.3858 -0.3858 -0.3858 -0.3858 -0.0859 -0.0859 -0.0859 -0.0859 0.0495 0.0495 0.0495 0.0495 0.1385 0.1385 0.1385 0.1385 2.1929 2.1929 2.1929 2.1929 6.6584 6.6584 6.6584 6.6584 7.2290 7.2290 7.2290 7.2290 8.1947 8.1947 8.1947 8.1947 k = 0.0000 0.0000 0.6756 ( 3846 PWs) bands (ev): -34.7056 -34.7056 -34.7051 -34.7051 -15.9619 -15.9619 -15.9595 -15.9595 -15.5974 -15.5974 -15.5947 -15.5947 -15.5669 -15.5669 -15.5654 -15.5654 -0.4697 -0.4697 -0.4641 -0.4641 -0.3869 -0.3869 -0.3847 -0.3847 -0.0873 -0.0873 -0.0845 -0.0845 0.0464 0.0464 0.0525 0.0525 0.1327 0.1327 0.1441 0.1441 2.0916 2.0916 2.2961 2.2961 6.5834 6.5834 6.7283 6.7283 7.1892 7.1892 7.2760 7.2760 8.1693 8.1693 8.2219 8.2219 k = 0.0000 0.0000 0.6563 ( 3846 PWs) bands (ev): -34.7059 -34.7059 -34.7048 -34.7048 -15.9630 -15.9630 -15.9583 -15.9583 -15.5987 -15.5987 -15.5933 -15.5933 -15.5675 -15.5675 -15.5646 -15.5646 -0.4726 -0.4726 -0.4614 -0.4614 -0.3879 -0.3879 -0.3835 -0.3835 -0.0886 -0.0886 -0.0830 -0.0830 0.0432 0.0432 0.0554 0.0554 0.1270 0.1270 0.1497 0.1497 1.9923 1.9923 2.4011 2.4011 6.5068 6.5068 6.7865 6.7865 7.1631 7.1631 7.3271 7.3271 8.1456 8.1456 8.2507 8.2507 k = 0.0000 0.0000 0.6370 ( 3846 PWs) bands (ev): -34.7062 -34.7062 -34.7046 -34.7046 -15.9641 -15.9641 -15.9570 -15.9570 -15.6000 -15.6000 -15.5919 -15.5919 -15.5682 -15.5682 -15.5638 -15.5638 -0.4754 -0.4754 -0.4588 -0.4588 -0.3889 -0.3889 -0.3822 -0.3822 -0.0898 -0.0898 -0.0815 -0.0815 0.0399 0.0399 0.0582 0.0582 0.1213 0.1213 0.1552 0.1552 1.8953 1.8953 2.5077 2.5077 6.4304 6.4304 6.8224 6.8224 7.1611 7.1611 7.3804 7.3804 8.1236 8.1236 8.2812 8.2812 k = 0.0000 0.0000 0.6177 ( 3850 PWs) bands (ev): -34.7065 -34.7065 -34.7043 -34.7043 -15.9652 -15.9652 -15.9558 -15.9558 -15.6013 -15.6013 -15.5906 -15.5906 -15.5688 -15.5688 -15.5630 -15.5630 -0.4782 -0.4782 -0.4564 -0.4564 -0.3898 -0.3898 -0.3810 -0.3810 -0.0909 -0.0909 -0.0799 -0.0799 0.0366 0.0366 0.0609 0.0609 0.1156 0.1156 0.1606 0.1606 1.8006 1.8006 2.6158 2.6158 6.3553 6.3553 6.8279 6.8279 7.1912 7.1912 7.4351 7.4351 8.1033 8.1033 8.3134 8.3134 k = 0.0000 0.0000 0.5984 ( 3846 PWs) bands (ev): -34.7067 -34.7067 -34.7041 -34.7041 -15.9663 -15.9663 -15.9545 -15.9545 -15.6026 -15.6026 -15.5892 -15.5892 -15.5693 -15.5693 -15.5622 -15.5622 -0.4809 -0.4809 -0.4542 -0.4542 -0.3907 -0.3907 -0.3796 -0.3796 -0.0920 -0.0920 -0.0783 -0.0783 0.0334 0.0334 0.0634 0.0634 0.1100 0.1100 0.1658 0.1658 1.7083 1.7083 2.7250 2.7250 6.2823 6.2823 6.8080 6.8080 7.2482 7.2482 7.4905 7.4905 8.0847 8.0847 8.3473 8.3473 k = 0.0000 0.0000 0.5791 ( 3854 PWs) bands (ev): -34.7070 -34.7070 -34.7038 -34.7038 -15.9674 -15.9674 -15.9532 -15.9532 -15.6038 -15.6038 -15.5880 -15.5880 -15.5697 -15.5697 -15.5614 -15.5614 -0.4835 -0.4835 -0.4522 -0.4522 -0.3916 -0.3916 -0.3783 -0.3783 -0.0930 -0.0930 -0.0766 -0.0766 0.0301 0.0301 0.0657 0.0657 0.1045 0.1045 0.1708 0.1708 1.6185 1.6185 2.8351 2.8351 6.2120 6.2120 6.7735 6.7735 7.3210 7.3210 7.5464 7.5464 8.0677 8.0677 8.3827 8.3827 k = 0.0000 0.0000 0.5598 ( 3858 PWs) bands (ev): -34.7073 -34.7073 -34.7036 -34.7036 -15.9684 -15.9684 -15.9519 -15.9519 -15.6050 -15.6050 -15.5868 -15.5868 -15.5700 -15.5700 -15.5606 -15.5606 -0.4859 -0.4859 -0.4505 -0.4505 -0.3924 -0.3924 -0.3770 -0.3770 -0.0940 -0.0940 -0.0750 -0.0750 0.0269 0.0269 0.0678 0.0678 0.0992 0.0992 0.1756 0.1756 1.5313 1.5313 2.9457 2.9457 6.1449 6.1449 6.7318 6.7318 7.4020 7.4020 7.6022 7.6022 8.0524 8.0524 8.4198 8.4198 k = 0.0000 0.0000 0.5405 ( 3850 PWs) bands (ev): -34.7076 -34.7076 -34.7034 -34.7034 -15.9693 -15.9693 -15.9506 -15.9506 -15.6061 -15.6061 -15.5856 -15.5856 -15.5702 -15.5702 -15.5597 -15.5597 -0.4882 -0.4882 -0.4490 -0.4490 -0.3932 -0.3932 -0.3756 -0.3756 -0.0950 -0.0950 -0.0732 -0.0732 0.0238 0.0238 0.0698 0.0698 0.0941 0.0941 0.1802 0.1802 1.4467 1.4467 3.0566 3.0566 6.0816 6.0816 6.6866 6.6866 7.4872 7.4872 7.6578 7.6578 8.0387 8.0387 8.4584 8.4584 k = 0.0000 0.0000 0.5212 ( 3854 PWs) bands (ev): -34.7079 -34.7079 -34.7031 -34.7031 -15.9703 -15.9703 -15.9493 -15.9493 -15.6072 -15.6072 -15.5846 -15.5846 -15.5702 -15.5702 -15.5589 -15.5589 -0.4902 -0.4902 -0.4479 -0.4479 -0.3939 -0.3939 -0.3742 -0.3742 -0.0960 -0.0960 -0.0716 -0.0716 0.0209 0.0209 0.0714 0.0714 0.0893 0.0893 0.1845 0.1845 1.3649 1.3649 3.1672 3.1672 6.0227 6.0227 6.6399 6.6399 7.5744 7.5744 7.7129 7.7129 8.0266 8.0266 8.4986 8.4986 k = 0.0000 0.0000 0.5019 ( 3858 PWs) bands (ev): -34.7081 -34.7081 -34.7029 -34.7029 -15.9712 -15.9712 -15.9480 -15.9480 -15.6083 -15.6083 -15.5838 -15.5838 -15.5700 -15.5700 -15.5581 -15.5581 -0.4921 -0.4921 -0.4471 -0.4471 -0.3946 -0.3946 -0.3730 -0.3730 -0.0970 -0.0970 -0.0699 -0.0699 0.0181 0.0181 0.0726 0.0726 0.0850 0.0850 0.1886 0.1886 1.2859 1.2859 3.2769 3.2769 5.9688 5.9688 6.5928 6.5928 7.6622 7.6622 7.7674 7.7674 8.0160 8.0160 8.5401 8.5401 k = 0.0000 0.0000 0.4826 ( 3864 PWs) bands (ev): -34.7084 -34.7084 -34.7027 -34.7027 -15.9721 -15.9721 -15.9467 -15.9467 -15.6093 -15.6093 -15.5832 -15.5832 -15.5696 -15.5696 -15.5573 -15.5573 -0.4938 -0.4938 -0.4466 -0.4466 -0.3953 -0.3953 -0.3718 -0.3718 -0.0980 -0.0980 -0.0684 -0.0684 0.0156 0.0156 0.0728 0.0728 0.0818 0.0818 0.1923 0.1923 1.2098 1.2098 3.3853 3.3853 5.9204 5.9204 6.5459 6.5459 7.7495 7.7495 7.8209 7.8209 8.0070 8.0070 8.5830 8.5830 k = 0.0000 0.0000 0.4633 ( 3868 PWs) bands (ev): -34.7087 -34.7087 -34.7025 -34.7025 -15.9729 -15.9729 -15.9455 -15.9455 -15.6103 -15.6103 -15.5827 -15.5827 -15.5690 -15.5690 -15.5565 -15.5565 -0.4952 -0.4952 -0.4463 -0.4463 -0.3959 -0.3959 -0.3707 -0.3707 -0.0991 -0.0991 -0.0669 -0.0669 0.0134 0.0134 0.0711 0.0711 0.0804 0.0804 0.1958 0.1958 1.1366 1.1366 3.4914 3.4914 5.8785 5.8785 6.4995 6.4995 7.8355 7.8355 7.8733 7.8733 7.9996 7.9996 8.6272 8.6272 k = 0.0000 0.0000 0.4440 ( 3858 PWs) bands (ev): -34.7089 -34.7089 -34.7023 -34.7023 -15.9737 -15.9737 -15.9442 -15.9442 -15.6112 -15.6112 -15.5824 -15.5824 -15.5682 -15.5682 -15.5557 -15.5557 -0.4964 -0.4964 -0.4464 -0.4464 -0.3965 -0.3965 -0.3697 -0.3697 -0.1003 -0.1003 -0.0656 -0.0656 0.0116 0.0116 0.0681 0.0681 0.0806 0.0806 0.1990 0.1990 1.0664 1.0664 3.5944 3.5944 5.8439 5.8439 6.4540 6.4540 7.9164 7.9164 7.9270 7.9270 7.9943 7.9943 8.6726 8.6726 k = 0.0000 0.0000 0.4247 ( 3864 PWs) bands (ev): -34.7092 -34.7092 -34.7021 -34.7021 -15.9744 -15.9744 -15.9429 -15.9429 -15.6122 -15.6122 -15.5822 -15.5822 -15.5672 -15.5672 -15.5550 -15.5550 -0.4973 -0.4973 -0.4468 -0.4468 -0.3970 -0.3970 -0.3689 -0.3689 -0.1015 -0.1015 -0.0644 -0.0644 0.0102 0.0102 0.0647 0.0647 0.0813 0.0813 0.2017 0.2017 0.9992 0.9992 3.6933 3.6933 5.8177 5.8177 6.4095 6.4095 7.9684 7.9684 7.9867 7.9867 8.0090 8.0090 8.7191 8.7191 k = 0.0000 0.0000 0.4054 ( 3868 PWs) bands (ev): -34.7094 -34.7094 -34.7019 -34.7019 -15.9752 -15.9752 -15.9417 -15.9417 -15.6130 -15.6130 -15.5821 -15.5821 -15.5661 -15.5661 -15.5543 -15.5543 -0.4979 -0.4979 -0.4474 -0.4474 -0.3976 -0.3976 -0.3683 -0.3683 -0.1028 -0.1028 -0.0635 -0.0635 0.0091 0.0091 0.0613 0.0613 0.0821 0.0821 0.2041 0.2041 0.9352 0.9352 3.7869 3.7869 5.8008 5.8008 6.3663 6.3663 7.9808 7.9808 8.0213 8.0213 8.0848 8.0848 8.7665 8.7665 k = 0.0000 0.0000 0.3861 ( 3872 PWs) bands (ev): -34.7097 -34.7097 -34.7017 -34.7017 -15.9758 -15.9758 -15.9405 -15.9405 -15.6138 -15.6138 -15.5821 -15.5821 -15.5650 -15.5650 -15.5536 -15.5536 -0.4983 -0.4983 -0.4483 -0.4483 -0.3982 -0.3982 -0.3680 -0.3680 -0.1042 -0.1042 -0.0629 -0.0629 0.0086 0.0086 0.0581 0.0581 0.0828 0.0828 0.2061 0.2061 0.8744 0.8744 3.8740 3.8740 5.7946 5.7946 6.3245 6.3245 7.9794 7.9794 8.0651 8.0651 8.1605 8.1605 8.8147 8.8147 k = 0.0000 0.0000 0.3668 ( 3880 PWs) bands (ev): -34.7099 -34.7099 -34.7016 -34.7016 -15.9765 -15.9765 -15.9394 -15.9394 -15.6146 -15.6146 -15.5822 -15.5822 -15.5638 -15.5638 -15.5529 -15.5529 -0.4984 -0.4984 -0.4495 -0.4495 -0.3987 -0.3987 -0.3679 -0.3679 -0.1056 -0.1056 -0.0625 -0.0625 0.0085 0.0085 0.0551 0.0551 0.0835 0.0835 0.2076 0.2076 0.8168 0.8168 3.9534 3.9534 5.8001 5.8001 6.2841 6.2841 7.9781 7.9781 8.1066 8.1066 8.2328 8.2328 8.8636 8.8636 k = 0.0000 0.0000 0.3475 ( 3886 PWs) bands (ev): -34.7102 -34.7102 -34.7014 -34.7014 -15.9771 -15.9771 -15.9383 -15.9383 -15.6154 -15.6154 -15.5824 -15.5824 -15.5625 -15.5625 -15.5523 -15.5523 -0.4983 -0.4983 -0.4508 -0.4508 -0.3992 -0.3992 -0.3682 -0.3682 -0.1071 -0.1071 -0.0625 -0.0625 0.0088 0.0088 0.0525 0.0525 0.0842 0.0842 0.2088 0.2088 0.7624 0.7624 4.0240 4.0240 5.8183 5.8183 6.2453 6.2453 7.9777 7.9777 8.1449 8.1449 8.3009 8.3009 8.9130 8.9130 k = 0.0000 0.0000 0.3281 ( 3882 PWs) bands (ev): -34.7104 -34.7104 -34.7013 -34.7013 -15.9777 -15.9777 -15.9372 -15.9372 -15.6161 -15.6161 -15.5825 -15.5825 -15.5612 -15.5612 -15.5517 -15.5517 -0.4978 -0.4978 -0.4523 -0.4523 -0.3997 -0.3997 -0.3687 -0.3687 -0.1085 -0.1085 -0.0628 -0.0628 0.0095 0.0095 0.0502 0.0502 0.0847 0.0847 0.2095 0.2095 0.7115 0.7115 4.0850 4.0850 5.8500 5.8500 6.2082 6.2082 7.9781 7.9781 8.1792 8.1792 8.3646 8.3646 8.9628 8.9628 k = 0.0000 0.0000 0.3088 ( 3876 PWs) bands (ev): -34.7106 -34.7106 -34.7011 -34.7011 -15.9782 -15.9782 -15.9361 -15.9361 -15.6167 -15.6167 -15.5826 -15.5826 -15.5599 -15.5599 -15.5510 -15.5510 -0.4972 -0.4972 -0.4538 -0.4538 -0.4002 -0.4002 -0.3696 -0.3696 -0.1099 -0.1099 -0.0634 -0.0634 0.0106 0.0106 0.0482 0.0482 0.0853 0.0853 0.2098 0.2098 0.6639 0.6639 4.1360 4.1360 5.8953 5.8953 6.1728 6.1728 7.9793 7.9793 8.2090 8.2090 8.4235 8.4235 9.0126 9.0126 k = 0.0000 0.0000 0.2895 ( 3890 PWs) bands (ev): -34.7108 -34.7108 -34.7010 -34.7010 -15.9788 -15.9788 -15.9351 -15.9351 -15.6174 -15.6174 -15.5828 -15.5828 -15.5587 -15.5587 -15.5505 -15.5505 -0.4964 -0.4964 -0.4554 -0.4554 -0.4007 -0.4007 -0.3708 -0.3708 -0.1113 -0.1113 -0.0644 -0.0644 0.0119 0.0119 0.0466 0.0466 0.0857 0.0857 0.2094 0.2094 0.6197 0.6197 4.1771 4.1771 5.9540 5.9540 6.1393 6.1393 7.9811 7.9811 8.2335 8.2335 8.4775 8.4775 9.0622 9.0622 k = 0.0000 0.0000 0.2702 ( 3886 PWs) bands (ev): -34.7110 -34.7110 -34.7009 -34.7009 -15.9792 -15.9792 -15.9341 -15.9341 -15.6179 -15.6179 -15.5829 -15.5829 -15.5575 -15.5575 -15.5500 -15.5500 -0.4954 -0.4954 -0.4570 -0.4570 -0.4013 -0.4013 -0.3723 -0.3723 -0.1125 -0.1125 -0.0658 -0.0658 0.0134 0.0134 0.0453 0.0453 0.0861 0.0861 0.2087 0.2087 0.5791 0.5791 4.2089 4.2089 6.0251 6.0251 6.1080 6.1080 7.9836 7.9836 8.2518 8.2518 8.5265 8.5265 9.1114 9.1114 k = 0.0000 0.0000 0.2509 ( 3882 PWs) bands (ev): -34.7112 -34.7112 -34.7008 -34.7008 -15.9796 -15.9796 -15.9332 -15.9332 -15.6185 -15.6185 -15.5830 -15.5830 -15.5564 -15.5564 -15.5494 -15.5494 -0.4944 -0.4944 -0.4584 -0.4584 -0.4018 -0.4018 -0.3742 -0.3742 -0.1136 -0.1136 -0.0674 -0.0674 0.0151 0.0151 0.0444 0.0444 0.0865 0.0865 0.2073 0.2073 0.5420 0.5420 4.2324 4.2324 6.0760 6.0760 6.1101 6.1101 7.9866 7.9866 8.2632 8.2632 8.5706 8.5706 9.1598 9.1598 k = 0.0000 0.0000 0.2316 ( 3886 PWs) bands (ev): -34.7114 -34.7114 -34.7006 -34.7006 -15.9801 -15.9801 -15.9324 -15.9324 -15.6190 -15.6190 -15.5831 -15.5831 -15.5553 -15.5553 -15.5490 -15.5490 -0.4934 -0.4934 -0.4596 -0.4596 -0.4024 -0.4024 -0.3764 -0.3764 -0.1146 -0.1146 -0.0694 -0.0694 0.0167 0.0167 0.0437 0.0437 0.0870 0.0870 0.2054 0.2054 0.5084 0.5084 4.2488 4.2488 6.0495 6.0495 6.2018 6.2018 7.9899 7.9899 8.2667 8.2667 8.6098 8.6098 9.2069 9.2069 k = 0.0000 0.0000 0.2123 ( 3890 PWs) bands (ev): -34.7115 -34.7115 -34.7005 -34.7005 -15.9804 -15.9804 -15.9316 -15.9316 -15.6194 -15.6194 -15.5832 -15.5832 -15.5542 -15.5542 -15.5485 -15.5485 -0.4926 -0.4926 -0.4604 -0.4604 -0.4030 -0.4030 -0.3788 -0.3788 -0.1153 -0.1153 -0.0717 -0.0717 0.0184 0.0184 0.0433 0.0433 0.0874 0.0874 0.2029 0.2029 0.4783 0.4783 4.2593 4.2593 6.0239 6.0239 6.3030 6.3030 7.9935 7.9935 8.2615 8.2615 8.6444 8.6444 9.2521 9.2521 k = 0.0000 0.0000 0.1930 ( 3888 PWs) bands (ev): -34.7117 -34.7117 -34.7004 -34.7004 -15.9807 -15.9807 -15.9309 -15.9309 -15.6198 -15.6198 -15.5832 -15.5832 -15.5533 -15.5533 -15.5481 -15.5481 -0.4919 -0.4919 -0.4606 -0.4606 -0.4038 -0.4038 -0.3814 -0.3814 -0.1158 -0.1158 -0.0742 -0.0742 0.0200 0.0200 0.0432 0.0432 0.0880 0.0880 0.1999 0.1999 0.4518 0.4518 4.2653 4.2653 6.0003 6.0003 6.4110 6.4110 7.9973 7.9973 8.2470 8.2470 8.6746 8.6746 9.2852 9.2852 k = 0.0000 0.0000 0.1737 ( 3876 PWs) bands (ev): -34.7118 -34.7118 -34.7004 -34.7004 -15.9810 -15.9810 -15.9301 -15.9301 -15.6202 -15.6202 -15.5833 -15.5833 -15.5524 -15.5524 -15.5477 -15.5477 -0.4916 -0.4916 -0.4602 -0.4602 -0.4047 -0.4047 -0.3841 -0.3841 -0.1160 -0.1160 -0.0770 -0.0770 0.0215 0.0215 0.0434 0.0434 0.0886 0.0886 0.1964 0.1964 0.4287 0.4287 4.2677 4.2677 5.9788 5.9788 6.5245 6.5245 8.0011 8.0011 8.2227 8.2227 8.7008 8.7008 9.2730 9.2730 k = 0.0000 0.0000 0.1544 ( 3866 PWs) bands (ev): -34.7119 -34.7119 -34.7003 -34.7003 -15.9812 -15.9812 -15.9295 -15.9295 -15.6205 -15.6205 -15.5833 -15.5833 -15.5516 -15.5516 -15.5473 -15.5473 -0.4917 -0.4917 -0.4590 -0.4590 -0.4059 -0.4059 -0.3868 -0.3868 -0.1161 -0.1161 -0.0798 -0.0798 0.0228 0.0228 0.0436 0.0436 0.0893 0.0893 0.1925 0.1925 0.4089 0.4089 4.2678 4.2678 5.9595 5.9595 6.6419 6.6419 8.0049 8.0049 8.1884 8.1884 8.7232 8.7232 9.2597 9.2597 k = 0.0000 0.0000 0.1351 ( 3886 PWs) bands (ev): -34.7120 -34.7120 -34.7002 -34.7002 -15.9815 -15.9815 -15.9290 -15.9290 -15.6209 -15.6209 -15.5834 -15.5834 -15.5509 -15.5509 -15.5470 -15.5470 -0.4922 -0.4922 -0.4572 -0.4572 -0.4075 -0.4075 -0.3895 -0.3895 -0.1159 -0.1159 -0.0829 -0.0829 0.0240 0.0240 0.0437 0.0437 0.0900 0.0900 0.1883 0.1883 0.3922 0.3922 4.2662 4.2662 5.9424 5.9424 6.7619 6.7619 8.0084 8.0084 8.1439 8.1439 8.7420 8.7420 9.2499 9.2499 k = 0.0000 0.0000 0.1158 ( 3890 PWs) bands (ev): -34.7121 -34.7121 -34.7002 -34.7002 -15.9818 -15.9818 -15.9285 -15.9285 -15.6211 -15.6211 -15.5835 -15.5835 -15.5503 -15.5503 -15.5468 -15.5468 -0.4929 -0.4929 -0.4548 -0.4548 -0.4096 -0.4096 -0.3917 -0.3917 -0.1154 -0.1154 -0.0859 -0.0859 0.0251 0.0251 0.0440 0.0440 0.0908 0.0908 0.1841 0.1841 0.3785 0.3785 4.2636 4.2636 5.9275 5.9275 6.8834 6.8834 8.0117 8.0117 8.0896 8.0896 8.7577 8.7577 9.2433 9.2433 k = 0.0000 0.0000 0.0965 ( 3886 PWs) bands (ev): -34.7122 -34.7122 -34.7001 -34.7001 -15.9819 -15.9819 -15.9281 -15.9281 -15.6213 -15.6213 -15.5835 -15.5835 -15.5498 -15.5498 -15.5465 -15.5465 -0.4936 -0.4936 -0.4518 -0.4518 -0.4122 -0.4122 -0.3935 -0.3935 -0.1147 -0.1147 -0.0889 -0.0889 0.0261 0.0261 0.0442 0.0442 0.0916 0.0916 0.1800 0.1800 0.3674 0.3674 4.2606 4.2606 5.9148 5.9148 7.0051 7.0051 8.0140 8.0140 8.0265 8.0265 8.7704 8.7704 9.2393 9.2393 k = 0.0000 0.0000 0.0772 ( 3873 PWs) bands (ev): -34.7123 -34.7123 -34.7001 -34.7001 -15.9820 -15.9820 -15.9278 -15.9278 -15.6215 -15.6215 -15.5835 -15.5835 -15.5493 -15.5493 -15.5462 -15.5462 -0.4944 -0.4944 -0.4483 -0.4483 -0.4154 -0.4154 -0.3949 -0.3949 -0.1138 -0.1138 -0.0918 -0.0918 0.0269 0.0269 0.0444 0.0444 0.0924 0.0924 0.1763 0.1763 0.3588 0.3588 4.2576 4.2576 5.9045 5.9045 7.1261 7.1261 7.9527 7.9527 8.0176 8.0176 8.7806 8.7806 9.2372 9.2372 k = 0.0000 0.0000 0.0579 ( 3881 PWs) bands (ev): -34.7123 -34.7123 -34.7000 -34.7000 -15.9821 -15.9821 -15.9275 -15.9275 -15.6217 -15.6217 -15.5835 -15.5835 -15.5491 -15.5491 -15.5461 -15.5461 -0.4951 -0.4951 -0.4446 -0.4446 -0.4190 -0.4190 -0.3958 -0.3958 -0.1127 -0.1127 -0.0944 -0.0944 0.0276 0.0276 0.0445 0.0445 0.0930 0.0930 0.1732 0.1732 0.3523 0.3523 4.2549 4.2549 5.8964 5.8964 7.2452 7.2452 7.8716 7.8716 8.0196 8.0196 8.7882 8.7882 9.2362 9.2362 k = 0.0000 0.0000 0.0386 ( 3887 PWs) bands (ev): -34.7124 -34.7124 -34.7000 -34.7000 -15.9823 -15.9823 -15.9273 -15.9273 -15.6218 -15.6218 -15.5836 -15.5836 -15.5488 -15.5488 -15.5459 -15.5459 -0.4957 -0.4957 -0.4408 -0.4408 -0.4229 -0.4229 -0.3964 -0.3964 -0.1116 -0.1116 -0.0967 -0.0967 0.0281 0.0281 0.0445 0.0445 0.0936 0.0936 0.1707 0.1707 0.3479 0.3479 4.2529 4.2529 5.8906 5.8906 7.3613 7.3613 7.7827 7.7827 8.0211 8.0211 8.7935 8.7935 9.2359 9.2359 k = 0.0000 0.0000 0.0193 ( 3883 PWs) bands (ev): -34.7124 -34.7124 -34.7000 -34.7000 -15.9823 -15.9823 -15.9272 -15.9272 -15.6218 -15.6218 -15.5835 -15.5835 -15.5487 -15.5487 -15.5459 -15.5459 -0.4961 -0.4961 -0.4369 -0.4369 -0.4267 -0.4267 -0.3968 -0.3968 -0.1107 -0.1107 -0.0984 -0.0984 0.0284 0.0284 0.0446 0.0446 0.0940 0.0940 0.1692 0.1692 0.3453 0.3453 4.2516 4.2516 5.8871 5.8871 7.4733 7.4733 7.6873 7.6873 8.0220 8.0220 8.7967 8.7967 9.2359 9.2359 k = 0.0000 0.0000 0.0000 ( 3877 PWs) bands (ev): -34.7124 -34.7124 -34.7000 -34.7000 -15.9823 -15.9823 -15.9272 -15.9272 -15.6218 -15.6218 -15.5835 -15.5835 -15.5486 -15.5486 -15.5458 -15.5458 -0.4962 -0.4962 -0.4346 -0.4346 -0.4290 -0.4290 -0.3969 -0.3969 -0.1103 -0.1103 -0.0990 -0.0990 0.0285 0.0285 0.0446 0.0446 0.0941 0.0941 0.1688 0.1688 0.3444 0.3444 4.2511 4.2511 5.8859 5.8859 7.5642 7.5642 7.6018 7.6018 8.0223 8.0223 8.7977 8.7977 9.2359 9.2359 k = 0.0000 0.0000 0.0000 ( 3877 PWs) bands (ev): -34.7124 -34.7124 -34.7000 -34.7000 -15.9823 -15.9823 -15.9272 -15.9272 -15.6218 -15.6218 -15.5835 -15.5835 -15.5486 -15.5486 -15.5458 -15.5458 -0.4962 -0.4962 -0.4346 -0.4346 -0.4290 -0.4290 -0.3969 -0.3969 -0.1103 -0.1103 -0.0990 -0.0990 0.0285 0.0285 0.0446 0.0446 0.0941 0.0941 0.1688 0.1688 0.3444 0.3444 4.2511 4.2511 5.8859 5.8859 7.5642 7.5642 7.6018 7.6018 8.0223 8.0223 8.7977 8.7977 9.2359 9.2359 k =-0.0179 0.0065 0.0000 ( 3881 PWs) bands (ev): -34.7124 -34.7124 -34.7000 -34.7000 -15.9823 -15.9823 -15.9272 -15.9272 -15.6218 -15.6218 -15.5835 -15.5835 -15.5487 -15.5487 -15.5458 -15.5458 -0.4961 -0.4961 -0.4346 -0.4346 -0.4290 -0.4290 -0.3969 -0.3969 -0.1103 -0.1103 -0.0989 -0.0989 0.0285 0.0285 0.0446 0.0446 0.0941 0.0941 0.1687 0.1687 0.3453 0.3453 4.2443 4.2443 5.8925 5.8925 7.5636 7.5636 7.6030 7.6030 8.0229 8.0229 8.7968 8.7968 9.2365 9.2365 k =-0.0357 0.0129 0.0000 ( 3877 PWs) bands (ev): -34.7123 -34.7123 -34.7000 -34.7000 -15.9822 -15.9822 -15.9273 -15.9273 -15.6217 -15.6217 -15.5835 -15.5835 -15.5488 -15.5488 -15.5458 -15.5458 -0.4960 -0.4960 -0.4345 -0.4345 -0.4289 -0.4289 -0.3969 -0.3969 -0.1103 -0.1103 -0.0986 -0.0986 0.0285 0.0285 0.0445 0.0445 0.0943 0.0943 0.1687 0.1687 0.3481 0.3481 4.2241 4.2241 5.9119 5.9119 7.5619 7.5619 7.6066 7.6066 8.0249 8.0249 8.7939 8.7939 9.2385 9.2385 k =-0.0536 0.0194 0.0000 ( 3869 PWs) bands (ev): -34.7123 -34.7123 -34.7001 -34.7001 -15.9820 -15.9820 -15.9275 -15.9275 -15.6214 -15.6214 -15.5835 -15.5835 -15.5491 -15.5491 -15.5459 -15.5459 -0.4958 -0.4958 -0.4344 -0.4344 -0.4289 -0.4289 -0.3969 -0.3969 -0.1104 -0.1104 -0.0982 -0.0982 0.0285 0.0285 0.0445 0.0445 0.0946 0.0946 0.1686 0.1686 0.3528 0.3528 4.1917 4.1917 5.9430 5.9430 7.5589 7.5589 7.6125 7.6125 8.0282 8.0282 8.7894 8.7894 9.2417 9.2417 k =-0.0714 0.0259 0.0000 ( 3869 PWs) bands (ev): -34.7123 -34.7123 -34.7001 -34.7001 -15.9817 -15.9817 -15.9277 -15.9277 -15.6210 -15.6210 -15.5834 -15.5834 -15.5495 -15.5495 -15.5459 -15.5459 -0.4955 -0.4955 -0.4342 -0.4342 -0.4287 -0.4287 -0.3970 -0.3970 -0.1104 -0.1104 -0.0978 -0.0978 0.0285 0.0285 0.0444 0.0444 0.0950 0.0950 0.1686 0.1686 0.3592 0.3592 4.1484 4.1484 5.9845 5.9845 7.5549 7.5549 7.6205 7.6205 8.0326 8.0326 8.7832 8.7832 9.2461 9.2461 k =-0.0893 0.0323 0.0000 ( 3865 PWs) bands (ev): -34.7122 -34.7122 -34.7002 -34.7002 -15.9814 -15.9814 -15.9281 -15.9281 -15.6205 -15.6205 -15.5833 -15.5833 -15.5500 -15.5500 -15.5460 -15.5460 -0.4952 -0.4952 -0.4340 -0.4340 -0.4286 -0.4286 -0.3970 -0.3970 -0.1105 -0.1105 -0.0972 -0.0972 0.0285 0.0285 0.0443 0.0443 0.0955 0.0955 0.1685 0.1685 0.3676 0.3676 4.0960 4.0960 6.0346 6.0346 7.5499 7.5499 7.6304 7.6304 8.0384 8.0384 8.7757 8.7757 9.2517 9.2517 k =-0.1071 0.0388 0.0000 ( 3861 PWs) bands (ev): -34.7121 -34.7121 -34.7002 -34.7002 -15.9810 -15.9810 -15.9284 -15.9284 -15.6200 -15.6200 -15.5833 -15.5833 -15.5507 -15.5507 -15.5460 -15.5460 -0.4948 -0.4948 -0.4338 -0.4338 -0.4285 -0.4285 -0.3971 -0.3971 -0.1106 -0.1106 -0.0965 -0.0965 0.0285 0.0285 0.0442 0.0442 0.0961 0.0961 0.1684 0.1684 0.3778 0.3778 4.0363 4.0363 6.0917 6.0917 7.5439 7.5439 7.6420 7.6420 8.0452 8.0452 8.7671 8.7671 9.2585 9.2585 k =-0.1250 0.0452 0.0000 ( 3873 PWs) bands (ev): -34.7120 -34.7120 -34.7003 -34.7003 -15.9805 -15.9805 -15.9290 -15.9290 -15.6193 -15.6193 -15.5832 -15.5832 -15.5514 -15.5514 -15.5461 -15.5461 -0.4944 -0.4944 -0.4336 -0.4336 -0.4283 -0.4283 -0.3972 -0.3972 -0.1107 -0.1107 -0.0958 -0.0958 0.0284 0.0284 0.0440 0.0440 0.0966 0.0966 0.1681 0.1681 0.3898 0.3898 3.9707 3.9707 6.1544 6.1544 7.5370 7.5370 7.6548 7.6548 8.0532 8.0532 8.7577 8.7577 9.2664 9.2664 k =-0.1429 0.0517 0.0000 ( 3871 PWs) bands (ev): -34.7119 -34.7119 -34.7005 -34.7005 -15.9800 -15.9800 -15.9295 -15.9295 -15.6186 -15.6186 -15.5831 -15.5831 -15.5523 -15.5523 -15.5462 -15.5462 -0.4939 -0.4939 -0.4333 -0.4333 -0.4281 -0.4281 -0.3973 -0.3973 -0.1108 -0.1108 -0.0950 -0.0950 0.0283 0.0283 0.0439 0.0439 0.0972 0.0972 0.1679 0.1679 0.4037 0.4037 3.9007 3.9007 6.2212 6.2212 7.5293 7.5293 7.6684 7.6684 8.0622 8.0622 8.7476 8.7476 9.2753 9.2753 k =-0.1607 0.0582 0.0000 ( 3872 PWs) bands (ev): -34.7118 -34.7118 -34.7006 -34.7006 -15.9794 -15.9794 -15.9301 -15.9301 -15.6177 -15.6177 -15.5830 -15.5830 -15.5532 -15.5532 -15.5463 -15.5463 -0.4934 -0.4934 -0.4330 -0.4330 -0.4279 -0.4279 -0.3974 -0.3974 -0.1109 -0.1109 -0.0941 -0.0941 0.0283 0.0283 0.0437 0.0437 0.0979 0.0979 0.1677 0.1677 0.4193 0.4193 3.8275 3.8275 6.2912 6.2912 7.5211 7.5211 7.6826 7.6826 8.0721 8.0721 8.7369 8.7369 9.2852 9.2852 k =-0.1786 0.0646 0.0000 ( 3874 PWs) bands (ev): -34.7117 -34.7117 -34.7007 -34.7007 -15.9788 -15.9788 -15.9308 -15.9308 -15.6168 -15.6168 -15.5829 -15.5829 -15.5543 -15.5543 -15.5465 -15.5465 -0.4929 -0.4929 -0.4327 -0.4327 -0.4277 -0.4277 -0.3975 -0.3975 -0.1110 -0.1110 -0.0933 -0.0933 0.0282 0.0282 0.0435 0.0435 0.0985 0.0985 0.1675 0.1675 0.4365 0.4365 3.7523 3.7523 6.3634 6.3634 7.5123 7.5123 7.6967 7.6967 8.0829 8.0829 8.7256 8.7256 9.2959 9.2959 k =-0.1964 0.0711 0.0000 ( 3870 PWs) bands (ev): -34.7115 -34.7115 -34.7008 -34.7008 -15.9781 -15.9781 -15.9314 -15.9314 -15.6157 -15.6157 -15.5828 -15.5828 -15.5554 -15.5554 -15.5466 -15.5466 -0.4923 -0.4923 -0.4323 -0.4323 -0.4274 -0.4274 -0.3976 -0.3976 -0.1111 -0.1111 -0.0925 -0.0925 0.0282 0.0282 0.0433 0.0433 0.0991 0.0991 0.1674 0.1674 0.4554 0.4554 3.6758 3.6758 6.4372 6.4372 7.5031 7.5031 7.7104 7.7104 8.0943 8.0943 8.7134 8.7134 9.3074 9.3074 k =-0.2143 0.0776 0.0000 ( 3858 PWs) bands (ev): -34.7114 -34.7114 -34.7010 -34.7010 -15.9773 -15.9773 -15.9322 -15.9322 -15.6146 -15.6146 -15.5827 -15.5827 -15.5566 -15.5566 -15.5467 -15.5467 -0.4917 -0.4917 -0.4320 -0.4320 -0.4272 -0.4272 -0.3978 -0.3978 -0.1112 -0.1112 -0.0916 -0.0916 0.0282 0.0282 0.0431 0.0431 0.0997 0.0997 0.1672 0.1672 0.4758 0.4758 3.5989 3.5989 6.5119 6.5119 7.4936 7.4936 7.7233 7.7233 8.1064 8.1064 8.6999 8.6999 9.3196 9.3196 k =-0.2321 0.0840 0.0000 ( 3864 PWs) bands (ev): -34.7112 -34.7112 -34.7011 -34.7011 -15.9765 -15.9765 -15.9330 -15.9330 -15.6134 -15.6134 -15.5826 -15.5826 -15.5579 -15.5579 -15.5468 -15.5468 -0.4912 -0.4912 -0.4317 -0.4317 -0.4269 -0.4269 -0.3979 -0.3979 -0.1113 -0.1113 -0.0909 -0.0909 0.0281 0.0281 0.0429 0.0429 0.1002 0.1002 0.1669 0.1669 0.4974 0.4974 3.5223 3.5223 6.5871 6.5871 7.4840 7.4840 7.7351 7.7351 8.1190 8.1190 8.6843 8.6843 9.3322 9.3322 k =-0.2500 0.0905 0.0000 ( 3868 PWs) bands (ev): -34.7110 -34.7110 -34.7013 -34.7013 -15.9757 -15.9757 -15.9338 -15.9338 -15.6122 -15.6122 -15.5825 -15.5825 -15.5593 -15.5593 -15.5470 -15.5470 -0.4907 -0.4907 -0.4314 -0.4314 -0.4267 -0.4267 -0.3981 -0.3981 -0.1114 -0.1114 -0.0901 -0.0901 0.0281 0.0281 0.0426 0.0426 0.1007 0.1007 0.1667 0.1667 0.5202 0.5202 3.4467 3.4467 6.6625 6.6625 7.4744 7.4744 7.7454 7.7454 8.1319 8.1319 8.6658 8.6658 9.3452 9.3452 k =-0.2679 0.0969 0.0000 ( 3856 PWs) bands (ev): -34.7109 -34.7109 -34.7015 -34.7015 -15.9748 -15.9748 -15.9347 -15.9347 -15.6108 -15.6108 -15.5823 -15.5823 -15.5607 -15.5607 -15.5471 -15.5471 -0.4901 -0.4901 -0.4310 -0.4310 -0.4264 -0.4264 -0.3982 -0.3982 -0.1115 -0.1115 -0.0894 -0.0894 0.0280 0.0280 0.0424 0.0424 0.1012 0.1012 0.1665 0.1665 0.5439 0.5439 3.3726 3.3726 6.7379 6.7379 7.4649 7.4649 7.7541 7.7541 8.1450 8.1450 8.6435 8.6435 9.3585 9.3585 k =-0.2857 0.1034 0.0000 ( 3840 PWs) bands (ev): -34.7107 -34.7107 -34.7016 -34.7016 -15.9739 -15.9739 -15.9356 -15.9356 -15.6093 -15.6093 -15.5822 -15.5822 -15.5621 -15.5621 -15.5472 -15.5472 -0.4896 -0.4896 -0.4307 -0.4307 -0.4261 -0.4261 -0.3983 -0.3983 -0.1115 -0.1115 -0.0887 -0.0887 0.0280 0.0280 0.0422 0.0422 0.1016 0.1016 0.1664 0.1664 0.5683 0.5683 3.3006 3.3006 6.8130 6.8130 7.4556 7.4556 7.7612 7.7612 8.1581 8.1581 8.6165 8.6165 9.3719 9.3719 k =-0.3036 0.1099 0.0000 ( 3844 PWs) bands (ev): -34.7105 -34.7105 -34.7018 -34.7018 -15.9730 -15.9730 -15.9365 -15.9365 -15.6079 -15.6079 -15.5821 -15.5821 -15.5637 -15.5637 -15.5473 -15.5473 -0.4891 -0.4891 -0.4304 -0.4304 -0.4259 -0.4259 -0.3984 -0.3984 -0.1116 -0.1116 -0.0882 -0.0882 0.0280 0.0280 0.0420 0.0420 0.1020 0.1020 0.1662 0.1662 0.5930 0.5930 3.2314 3.2314 6.8876 6.8876 7.4467 7.4467 7.7668 7.7668 8.1710 8.1710 8.5843 8.5843 9.3850 9.3850 k =-0.3214 0.1163 0.0000 ( 3844 PWs) bands (ev): -34.7103 -34.7103 -34.7020 -34.7020 -15.9720 -15.9720 -15.9374 -15.9374 -15.6064 -15.6064 -15.5820 -15.5820 -15.5653 -15.5653 -15.5475 -15.5475 -0.4887 -0.4887 -0.4302 -0.4302 -0.4257 -0.4257 -0.3985 -0.3985 -0.1116 -0.1116 -0.0876 -0.0876 0.0280 0.0280 0.0418 0.0418 0.1023 0.1023 0.1660 0.1660 0.6178 0.6178 3.1654 3.1654 6.9614 6.9614 7.4382 7.4382 7.7709 7.7709 8.1836 8.1836 8.5466 8.5466 9.3979 9.3979 k =-0.3393 0.1228 0.0000 ( 3842 PWs) bands (ev): -34.7101 -34.7101 -34.7022 -34.7022 -15.9711 -15.9711 -15.9384 -15.9384 -15.6049 -15.6049 -15.5818 -15.5818 -15.5670 -15.5670 -15.5476 -15.5476 -0.4883 -0.4883 -0.4300 -0.4300 -0.4254 -0.4254 -0.3986 -0.3986 -0.1117 -0.1117 -0.0871 -0.0871 0.0279 0.0279 0.0415 0.0415 0.1026 0.1026 0.1658 0.1658 0.6422 0.6422 3.1031 3.1031 7.0343 7.0343 7.4302 7.4302 7.7739 7.7739 8.1957 8.1957 8.5036 8.5036 9.4102 9.4102 k =-0.3571 0.1293 0.0000 ( 3838 PWs) bands (ev): -34.7100 -34.7100 -34.7023 -34.7023 -15.9701 -15.9701 -15.9393 -15.9393 -15.6033 -15.6033 -15.5817 -15.5817 -15.5686 -15.5686 -15.5477 -15.5477 -0.4879 -0.4879 -0.4297 -0.4297 -0.4252 -0.4252 -0.3987 -0.3987 -0.1117 -0.1117 -0.0867 -0.0867 0.0279 0.0279 0.0413 0.0413 0.1029 0.1029 0.1656 0.1656 0.6659 0.6659 3.0453 3.0453 7.1059 7.1059 7.4230 7.4230 7.7759 7.7759 8.2071 8.2071 8.4559 8.4559 9.4219 9.4219 k =-0.3750 0.1357 0.0000 ( 3834 PWs) bands (ev): -34.7098 -34.7098 -34.7025 -34.7025 -15.9692 -15.9692 -15.9402 -15.9402 -15.6017 -15.6017 -15.5816 -15.5816 -15.5703 -15.5703 -15.5478 -15.5478 -0.4875 -0.4875 -0.4295 -0.4295 -0.4251 -0.4251 -0.3988 -0.3988 -0.1118 -0.1118 -0.0863 -0.0863 0.0279 0.0279 0.0412 0.0412 0.1031 0.1031 0.1654 0.1654 0.6883 0.6883 2.9924 2.9924 7.1756 7.1756 7.4165 7.4165 7.7773 7.7773 8.2177 8.2177 8.4045 8.4045 9.4328 9.4328 k =-0.3929 0.1422 0.0000 ( 3834 PWs) bands (ev): -34.7096 -34.7096 -34.7027 -34.7027 -15.9684 -15.9684 -15.9410 -15.9410 -15.6001 -15.6001 -15.5816 -15.5816 -15.5719 -15.5719 -15.5479 -15.5479 -0.4873 -0.4873 -0.4294 -0.4294 -0.4249 -0.4249 -0.3989 -0.3989 -0.1118 -0.1118 -0.0859 -0.0859 0.0278 0.0278 0.0410 0.0410 0.1033 0.1033 0.1653 0.1653 0.7092 0.7092 2.9450 2.9450 7.2426 7.2426 7.4111 7.4111 7.7784 7.7784 8.2271 8.2271 8.3507 8.3507 9.4426 9.4426 k =-0.4107 0.1486 0.0000 ( 3836 PWs) bands (ev): -34.7095 -34.7095 -34.7028 -34.7028 -15.9676 -15.9676 -15.9418 -15.9418 -15.5986 -15.5986 -15.5815 -15.5815 -15.5735 -15.5735 -15.5480 -15.5480 -0.4870 -0.4870 -0.4293 -0.4293 -0.4248 -0.4248 -0.3989 -0.3989 -0.1118 -0.1118 -0.0857 -0.0857 0.0278 0.0278 0.0408 0.0408 0.1035 0.1035 0.1651 0.1651 0.7278 0.7278 2.9037 2.9037 7.3053 7.3053 7.4074 7.4074 7.7796 7.7796 8.2350 8.2350 8.2965 8.2965 9.4512 9.4512 k =-0.4286 0.1551 0.0000 ( 3844 PWs) bands (ev): -34.7094 -34.7094 -34.7029 -34.7029 -15.9669 -15.9669 -15.9426 -15.9426 -15.5972 -15.5972 -15.5814 -15.5814 -15.5750 -15.5750 -15.5480 -15.5480 -0.4868 -0.4868 -0.4292 -0.4292 -0.4247 -0.4247 -0.3990 -0.3990 -0.1119 -0.1119 -0.0855 -0.0855 0.0278 0.0278 0.0407 0.0407 0.1036 0.1036 0.1650 0.1650 0.7439 0.7439 2.8691 2.8691 7.3593 7.3593 7.4083 7.4083 7.7811 7.7811 8.2351 8.2351 8.2501 8.2501 9.4584 9.4584 k =-0.4464 0.1616 0.0000 ( 3842 PWs) bands (ev): -34.7093 -34.7093 -34.7030 -34.7030 -15.9663 -15.9663 -15.9432 -15.9432 -15.5958 -15.5958 -15.5814 -15.5814 -15.5764 -15.5764 -15.5481 -15.5481 -0.4867 -0.4867 -0.4291 -0.4291 -0.4246 -0.4246 -0.3991 -0.3991 -0.1119 -0.1119 -0.0853 -0.0853 0.0278 0.0278 0.0406 0.0406 0.1037 0.1037 0.1649 0.1649 0.7570 0.7570 2.8415 2.8415 7.3857 7.3857 7.4303 7.4303 7.7834 7.7834 8.1921 8.1921 8.2496 8.2496 9.4642 9.4642 k =-0.4643 0.1680 0.0000 ( 3838 PWs) bands (ev): -34.7092 -34.7092 -34.7031 -34.7031 -15.9659 -15.9659 -15.9436 -15.9436 -15.5947 -15.5947 -15.5813 -15.5813 -15.5775 -15.5775 -15.5482 -15.5482 -0.4865 -0.4865 -0.4290 -0.4290 -0.4245 -0.4245 -0.3991 -0.3991 -0.1119 -0.1119 -0.0852 -0.0852 0.0278 0.0278 0.0405 0.0405 0.1037 0.1037 0.1648 0.1648 0.7666 0.7666 2.8215 2.8215 7.3887 7.3887 7.4661 7.4661 7.7863 7.7863 8.1514 8.1514 8.2533 8.2533 9.4685 9.4685 k =-0.4821 0.1745 0.0000 ( 3830 PWs) bands (ev): -34.7092 -34.7092 -34.7031 -34.7031 -15.9656 -15.9656 -15.9439 -15.9439 -15.5940 -15.5940 -15.5813 -15.5813 -15.5782 -15.5782 -15.5482 -15.5482 -0.4864 -0.4864 -0.4289 -0.4289 -0.4244 -0.4244 -0.3991 -0.3991 -0.1119 -0.1119 -0.0851 -0.0851 0.0278 0.0278 0.0405 0.0405 0.1038 0.1038 0.1648 0.1648 0.7725 0.7725 2.8093 2.8093 7.3885 7.3885 7.4919 7.4919 7.7890 7.7890 8.1235 8.1235 8.2557 8.2557 9.4710 9.4710 k =-0.5000 0.1810 0.0000 ( 3836 PWs) bands (ev): -34.7092 -34.7092 -34.7031 -34.7031 -15.9655 -15.9655 -15.9440 -15.9440 -15.5937 -15.5937 -15.5813 -15.5813 -15.5785 -15.5785 -15.5482 -15.5482 -0.4864 -0.4864 -0.4289 -0.4289 -0.4244 -0.4244 -0.3991 -0.3991 -0.1119 -0.1119 -0.0850 -0.0850 0.0278 0.0278 0.0404 0.0404 0.1038 0.1038 0.1648 0.1648 0.7745 0.7745 2.8053 2.8053 7.3883 7.3883 7.5010 7.5010 7.7901 7.7901 8.1135 8.1135 8.2565 8.2565 9.4719 9.4719 k =-0.5000 0.1810 0.0000 ( 3836 PWs) bands (ev): -34.7092 -34.7092 -34.7031 -34.7031 -15.9655 -15.9655 -15.9440 -15.9440 -15.5937 -15.5937 -15.5813 -15.5813 -15.5785 -15.5785 -15.5482 -15.5482 -0.4864 -0.4864 -0.4289 -0.4289 -0.4244 -0.4244 -0.3991 -0.3991 -0.1119 -0.1119 -0.0850 -0.0850 0.0278 0.0278 0.0404 0.0404 0.1038 0.1038 0.1648 0.1648 0.7745 0.7745 2.8053 2.8053 7.3883 7.3883 7.5010 7.5010 7.7901 7.7901 8.1135 8.1135 8.2565 8.2565 9.4719 9.4719 k =-0.4934 0.1992-0.0000 ( 3838 PWs) bands (ev): -34.7092 -34.7092 -34.7031 -34.7031 -15.9655 -15.9655 -15.9440 -15.9440 -15.5937 -15.5937 -15.5815 -15.5815 -15.5784 -15.5784 -15.5482 -15.5482 -0.4864 -0.4864 -0.4289 -0.4289 -0.4245 -0.4245 -0.3991 -0.3991 -0.1120 -0.1120 -0.0850 -0.0850 0.0278 0.0278 0.0405 0.0405 0.1039 0.1039 0.1647 0.1647 0.7755 0.7755 2.8069 2.8069 7.3880 7.3880 7.5019 7.5019 7.7767 7.7767 8.1145 8.1145 8.2627 8.2627 9.4707 9.4707 k =-0.4868 0.2173-0.0000 ( 3834 PWs) bands (ev): -34.7091 -34.7091 -34.7031 -34.7031 -15.9655 -15.9655 -15.9441 -15.9441 -15.5937 -15.5937 -15.5820 -15.5820 -15.5779 -15.5779 -15.5483 -15.5483 -0.4863 -0.4863 -0.4289 -0.4289 -0.4244 -0.4244 -0.3991 -0.3991 -0.1121 -0.1121 -0.0850 -0.0850 0.0281 0.0281 0.0408 0.0408 0.1040 0.1040 0.1647 0.1647 0.7786 0.7786 2.8117 2.8117 7.3870 7.3870 7.5046 7.5046 7.7385 7.7385 8.1176 8.1176 8.2792 8.2792 9.4672 9.4672 k =-0.4802 0.2355-0.0000 ( 3838 PWs) bands (ev): -34.7091 -34.7091 -34.7031 -34.7031 -15.9655 -15.9655 -15.9443 -15.9443 -15.5936 -15.5936 -15.5828 -15.5828 -15.5774 -15.5774 -15.5485 -15.5485 -0.4862 -0.4862 -0.4289 -0.4289 -0.4243 -0.4243 -0.3991 -0.3991 -0.1122 -0.1122 -0.0851 -0.0851 0.0286 0.0286 0.0410 0.0410 0.1042 0.1042 0.1646 0.1646 0.7839 0.7839 2.8198 2.8198 7.3853 7.3853 7.5089 7.5089 7.6804 7.6804 8.1228 8.1228 8.3017 8.3017 9.4614 9.4614 k =-0.4737 0.2537-0.0000 ( 3836 PWs) bands (ev): -34.7091 -34.7091 -34.7032 -34.7032 -15.9656 -15.9656 -15.9445 -15.9445 -15.5936 -15.5936 -15.5836 -15.5836 -15.5769 -15.5769 -15.5488 -15.5488 -0.4861 -0.4861 -0.4289 -0.4289 -0.4242 -0.4242 -0.3991 -0.3991 -0.1123 -0.1123 -0.0851 -0.0851 0.0292 0.0292 0.0415 0.0415 0.1046 0.1046 0.1646 0.1646 0.7912 0.7912 2.8311 2.8311 7.3829 7.3829 7.5136 7.5136 7.6082 7.6082 8.1298 8.1298 8.3264 8.3264 9.4532 9.4532 k =-0.4671 0.2719-0.0000 ( 3840 PWs) bands (ev): -34.7090 -34.7090 -34.7032 -34.7032 -15.9656 -15.9656 -15.9448 -15.9448 -15.5935 -15.5935 -15.5844 -15.5844 -15.5764 -15.5764 -15.5492 -15.5492 -0.4859 -0.4859 -0.4289 -0.4289 -0.4241 -0.4241 -0.3991 -0.3991 -0.1126 -0.1126 -0.0851 -0.0851 0.0301 0.0301 0.0420 0.0420 0.1049 0.1049 0.1644 0.1644 0.8006 0.8006 2.8456 2.8456 7.3798 7.3798 7.5011 7.5011 7.5430 7.5430 8.1387 8.1387 8.3506 8.3506 9.4428 9.4428 k =-0.4605 0.2901-0.0000 ( 3842 PWs) bands (ev): -34.7089 -34.7089 -34.7032 -34.7032 -15.9657 -15.9657 -15.9451 -15.9451 -15.5934 -15.5934 -15.5853 -15.5853 -15.5759 -15.5759 -15.5497 -15.5497 -0.4857 -0.4857 -0.4289 -0.4289 -0.4239 -0.4239 -0.3991 -0.3991 -0.1129 -0.1129 -0.0851 -0.0851 0.0310 0.0310 0.0426 0.0426 0.1054 0.1054 0.1643 0.1643 0.8120 0.8120 2.8633 2.8633 7.3760 7.3760 7.4175 7.4175 7.5412 7.5412 8.1493 8.1493 8.3729 8.3729 9.4301 9.4301 k =-0.4539 0.3083-0.0000 ( 3836 PWs) bands (ev): -34.7088 -34.7088 -34.7032 -34.7032 -15.9657 -15.9657 -15.9455 -15.9455 -15.5933 -15.5933 -15.5862 -15.5862 -15.5754 -15.5754 -15.5502 -15.5502 -0.4854 -0.4854 -0.4289 -0.4289 -0.4237 -0.4237 -0.3991 -0.3991 -0.1132 -0.1132 -0.0851 -0.0851 0.0322 0.0322 0.0433 0.0433 0.1060 0.1060 0.1641 0.1641 0.8256 0.8256 2.8842 2.8842 7.3148 7.3148 7.3718 7.3718 7.5520 7.5520 8.1614 8.1614 8.3926 8.3926 9.4151 9.4151 k =-0.4473 0.3265-0.0000 ( 3840 PWs) bands (ev): -34.7087 -34.7087 -34.7032 -34.7032 -15.9657 -15.9657 -15.9460 -15.9460 -15.5932 -15.5932 -15.5871 -15.5871 -15.5750 -15.5750 -15.5508 -15.5508 -0.4851 -0.4851 -0.4288 -0.4288 -0.4236 -0.4236 -0.3991 -0.3991 -0.1135 -0.1135 -0.0852 -0.0852 0.0335 0.0335 0.0441 0.0441 0.1066 0.1066 0.1640 0.1640 0.8413 0.8413 2.9082 2.9082 7.2047 7.2047 7.3668 7.3668 7.5656 7.5656 8.1748 8.1748 8.4093 8.4093 9.3981 9.3981 k =-0.4407 0.3447-0.0000 ( 3844 PWs) bands (ev): -34.7086 -34.7086 -34.7032 -34.7032 -15.9658 -15.9658 -15.9465 -15.9465 -15.5931 -15.5931 -15.5881 -15.5881 -15.5746 -15.5746 -15.5515 -15.5515 -0.4848 -0.4848 -0.4288 -0.4288 -0.4234 -0.4234 -0.3992 -0.3992 -0.1140 -0.1140 -0.0853 -0.0853 0.0350 0.0350 0.0449 0.0449 0.1073 0.1073 0.1638 0.1638 0.8590 0.8590 2.9354 2.9354 7.0889 7.0889 7.3612 7.3612 7.5811 7.5811 8.1892 8.1892 8.4229 8.4229 9.3791 9.3791 k =-0.4342 0.3629-0.0000 ( 3848 PWs) bands (ev): -34.7085 -34.7085 -34.7032 -34.7032 -15.9659 -15.9659 -15.9471 -15.9471 -15.5931 -15.5931 -15.5890 -15.5890 -15.5743 -15.5743 -15.5522 -15.5522 -0.4844 -0.4844 -0.4287 -0.4287 -0.4232 -0.4232 -0.3992 -0.3992 -0.1144 -0.1144 -0.0854 -0.0854 0.0365 0.0365 0.0459 0.0459 0.1081 0.1081 0.1635 0.1635 0.8788 0.8788 2.9656 2.9656 6.9686 6.9686 7.3551 7.3551 7.5980 7.5980 8.2043 8.2043 8.4336 8.4336 9.3582 9.3582 k =-0.4276 0.3811-0.0000 ( 3840 PWs) bands (ev): -34.7083 -34.7083 -34.7033 -34.7033 -15.9659 -15.9659 -15.9476 -15.9476 -15.5932 -15.5932 -15.5897 -15.5897 -15.5740 -15.5740 -15.5529 -15.5529 -0.4840 -0.4840 -0.4286 -0.4286 -0.4230 -0.4230 -0.3992 -0.3992 -0.1149 -0.1149 -0.0856 -0.0856 0.0383 0.0383 0.0468 0.0468 0.1090 0.1090 0.1633 0.1633 0.9006 0.9006 2.9989 2.9989 6.8447 6.8447 7.3486 7.3486 7.6161 7.6161 8.2194 8.2194 8.4416 8.4416 9.3357 9.3357 k =-0.4210 0.3992-0.0000 ( 3850 PWs) bands (ev): -34.7082 -34.7082 -34.7033 -34.7033 -15.9660 -15.9660 -15.9483 -15.9483 -15.5934 -15.5934 -15.5904 -15.5904 -15.5738 -15.5738 -15.5537 -15.5537 -0.4836 -0.4836 -0.4286 -0.4286 -0.4227 -0.4227 -0.3993 -0.3993 -0.1154 -0.1154 -0.0858 -0.0858 0.0401 0.0401 0.0478 0.0478 0.1098 0.1098 0.1630 0.1630 0.9244 0.9244 3.0352 3.0352 6.7180 6.7180 7.3417 7.3417 7.6352 7.6352 8.2341 8.2341 8.4470 8.4470 9.3117 9.3117 k =-0.4144 0.4174-0.0000 ( 3842 PWs) bands (ev): -34.7080 -34.7080 -34.7033 -34.7033 -15.9660 -15.9660 -15.9490 -15.9490 -15.5939 -15.5939 -15.5908 -15.5908 -15.5736 -15.5736 -15.5544 -15.5544 -0.4831 -0.4831 -0.4285 -0.4285 -0.4225 -0.4225 -0.3994 -0.3994 -0.1159 -0.1159 -0.0860 -0.0860 0.0420 0.0420 0.0488 0.0488 0.1108 0.1108 0.1627 0.1627 0.9502 0.9502 3.0744 3.0744 6.5894 6.5894 7.3344 7.3344 7.6548 7.6548 8.2475 8.2475 8.4505 8.4505 9.2865 9.2865 k =-0.4078 0.4356-0.0000 ( 3844 PWs) bands (ev): -34.7079 -34.7079 -34.7034 -34.7034 -15.9661 -15.9661 -15.9498 -15.9498 -15.5945 -15.5945 -15.5911 -15.5911 -15.5734 -15.5734 -15.5552 -15.5552 -0.4827 -0.4827 -0.4284 -0.4284 -0.4223 -0.4223 -0.3994 -0.3994 -0.1165 -0.1165 -0.0863 -0.0863 0.0439 0.0439 0.0498 0.0498 0.1118 0.1118 0.1624 0.1624 0.9778 0.9778 3.1166 3.1166 6.4593 6.4593 7.3269 7.3269 7.6746 7.6746 8.2586 8.2586 8.4523 8.4523 9.2603 9.2603 k =-0.4012 0.4538-0.0000 ( 3850 PWs) bands (ev): -34.7077 -34.7077 -34.7034 -34.7034 -15.9661 -15.9661 -15.9506 -15.9506 -15.5953 -15.5953 -15.5912 -15.5912 -15.5733 -15.5733 -15.5560 -15.5560 -0.4822 -0.4822 -0.4283 -0.4283 -0.4220 -0.4220 -0.3996 -0.3996 -0.1171 -0.1171 -0.0865 -0.0865 0.0457 0.0457 0.0510 0.0510 0.1128 0.1128 0.1621 0.1621 1.0073 1.0073 3.1617 3.1617 6.3285 6.3285 7.3192 7.3192 7.6941 7.6941 8.2661 8.2661 8.4532 8.4532 9.2334 9.2334 k =-0.3947 0.4720-0.0000 ( 3858 PWs) bands (ev): -34.7075 -34.7075 -34.7035 -34.7035 -15.9662 -15.9662 -15.9515 -15.9515 -15.5962 -15.5962 -15.5913 -15.5913 -15.5732 -15.5732 -15.5569 -15.5569 -0.4817 -0.4817 -0.4282 -0.4282 -0.4218 -0.4218 -0.3997 -0.3997 -0.1177 -0.1177 -0.0869 -0.0869 0.0475 0.0475 0.0522 0.0522 0.1138 0.1138 0.1618 0.1618 1.0384 1.0384 3.2096 3.2096 6.1976 6.1976 7.3114 7.3114 7.7126 7.7126 8.2685 8.2685 8.4537 8.4537 9.2061 9.2061 k =-0.3881 0.4902-0.0000 ( 3866 PWs) bands (ev): -34.7073 -34.7073 -34.7035 -34.7035 -15.9662 -15.9662 -15.9524 -15.9524 -15.5972 -15.5972 -15.5914 -15.5914 -15.5731 -15.5731 -15.5577 -15.5577 -0.4813 -0.4813 -0.4281 -0.4281 -0.4216 -0.4216 -0.3998 -0.3998 -0.1183 -0.1183 -0.0872 -0.0872 0.0491 0.0491 0.0536 0.0536 0.1148 0.1148 0.1615 0.1615 1.0712 1.0712 3.2602 3.2602 6.0669 6.0669 7.3036 7.3036 7.7295 7.7295 8.2641 8.2641 8.4547 8.4547 9.1785 9.1785 k =-0.3815 0.5084-0.0000 ( 3862 PWs) bands (ev): -34.7071 -34.7071 -34.7036 -34.7036 -15.9662 -15.9662 -15.9532 -15.9532 -15.5981 -15.5981 -15.5914 -15.5914 -15.5730 -15.5730 -15.5584 -15.5584 -0.4808 -0.4808 -0.4280 -0.4280 -0.4214 -0.4214 -0.3999 -0.3999 -0.1189 -0.1189 -0.0875 -0.0875 0.0505 0.0505 0.0553 0.0553 0.1159 0.1159 0.1612 0.1612 1.1055 1.1055 3.3136 3.3136 5.9370 5.9370 7.2958 7.2958 7.7441 7.7441 8.2512 8.2512 8.4572 8.4572 9.1509 9.1509 k =-0.3749 0.5266-0.0000 ( 3854 PWs) bands (ev): -34.7069 -34.7069 -34.7036 -34.7036 -15.9662 -15.9662 -15.9542 -15.9542 -15.5989 -15.5989 -15.5915 -15.5915 -15.5729 -15.5729 -15.5591 -15.5591 -0.4803 -0.4803 -0.4279 -0.4279 -0.4212 -0.4212 -0.4001 -0.4001 -0.1195 -0.1195 -0.0878 -0.0878 0.0516 0.0516 0.0573 0.0573 0.1169 0.1169 0.1609 0.1609 1.1411 1.1411 3.3696 3.3696 5.8084 5.8084 7.2881 7.2881 7.7555 7.7555 8.2279 8.2279 8.4622 8.4622 9.1237 9.1237 k =-0.3683 0.5448-0.0000 ( 3850 PWs) bands (ev): -34.7067 -34.7067 -34.7037 -34.7037 -15.9662 -15.9662 -15.9551 -15.9551 -15.5998 -15.5998 -15.5917 -15.5917 -15.5728 -15.5728 -15.5597 -15.5597 -0.4798 -0.4798 -0.4277 -0.4277 -0.4209 -0.4209 -0.4002 -0.4002 -0.1202 -0.1202 -0.0881 -0.0881 0.0526 0.0526 0.0593 0.0593 0.1180 0.1180 0.1606 0.1606 1.1779 1.1779 3.4281 3.4281 5.6815 5.6815 7.2807 7.2807 7.7630 7.7630 8.1933 8.1933 8.4704 8.4704 9.0969 9.0969 k =-0.3617 0.5629-0.0000 ( 3854 PWs) bands (ev): -34.7065 -34.7065 -34.7037 -34.7037 -15.9661 -15.9661 -15.9561 -15.9561 -15.6006 -15.6006 -15.5919 -15.5919 -15.5728 -15.5728 -15.5604 -15.5604 -0.4793 -0.4793 -0.4277 -0.4277 -0.4208 -0.4208 -0.4004 -0.4004 -0.1208 -0.1208 -0.0885 -0.0885 0.0534 0.0534 0.0615 0.0615 0.1190 0.1190 0.1602 0.1602 1.2156 1.2156 3.4892 3.4892 5.5568 5.5568 7.2735 7.2735 7.7659 7.7659 8.1467 8.1467 8.4829 8.4829 9.0708 9.0708 k =-0.3552 0.5811-0.0000 ( 3850 PWs) bands (ev): -34.7063 -34.7063 -34.7038 -34.7038 -15.9660 -15.9660 -15.9571 -15.9571 -15.6014 -15.6014 -15.5922 -15.5922 -15.5727 -15.5727 -15.5609 -15.5609 -0.4788 -0.4788 -0.4276 -0.4276 -0.4206 -0.4206 -0.4006 -0.4006 -0.1214 -0.1214 -0.0888 -0.0888 0.0541 0.0541 0.0637 0.0637 0.1200 0.1200 0.1599 0.1599 1.2541 1.2541 3.5526 3.5526 5.4347 5.4347 7.2667 7.2667 7.7639 7.7639 8.0887 8.0887 8.5001 8.5001 9.0456 9.0456 k =-0.3486 0.5993-0.0000 ( 3854 PWs) bands (ev): -34.7061 -34.7061 -34.7039 -34.7039 -15.9660 -15.9660 -15.9581 -15.9581 -15.6022 -15.6022 -15.5926 -15.5926 -15.5727 -15.5727 -15.5614 -15.5614 -0.4784 -0.4784 -0.4275 -0.4275 -0.4204 -0.4204 -0.4007 -0.4007 -0.1220 -0.1220 -0.0891 -0.0891 0.0547 0.0547 0.0659 0.0659 0.1209 0.1209 0.1596 0.1596 1.2930 1.2930 3.6183 3.6183 5.3156 5.3156 7.2602 7.2602 7.7566 7.7566 8.0204 8.0204 8.5224 8.5224 9.0215 9.0215 k =-0.3420 0.6175-0.0000 ( 3850 PWs) bands (ev): -34.7059 -34.7059 -34.7040 -34.7040 -15.9659 -15.9659 -15.9591 -15.9591 -15.6029 -15.6029 -15.5930 -15.5930 -15.5726 -15.5726 -15.5617 -15.5617 -0.4779 -0.4779 -0.4274 -0.4274 -0.4202 -0.4202 -0.4009 -0.4009 -0.1226 -0.1226 -0.0894 -0.0894 0.0553 0.0553 0.0680 0.0680 0.1218 0.1218 0.1593 0.1593 1.3320 1.3320 3.6863 3.6863 5.2000 5.2000 7.2543 7.2543 7.7443 7.7443 7.9436 7.9436 8.5499 8.5499 8.9986 8.9986 k =-0.3354 0.6357-0.0000 ( 3854 PWs) bands (ev): -34.7056 -34.7056 -34.7041 -34.7041 -15.9658 -15.9658 -15.9601 -15.9601 -15.6036 -15.6036 -15.5935 -15.5935 -15.5726 -15.5726 -15.5620 -15.5620 -0.4775 -0.4775 -0.4273 -0.4273 -0.4201 -0.4201 -0.4011 -0.4011 -0.1231 -0.1231 -0.0897 -0.0897 0.0558 0.0558 0.0700 0.0700 0.1227 0.1227 0.1591 0.1591 1.3708 1.3708 3.7563 3.7563 5.0884 5.0884 7.2489 7.2489 7.7272 7.7272 7.8599 7.8599 8.5824 8.5824 8.9770 8.9770 k =-0.3288 0.6539-0.0000 ( 3854 PWs) bands (ev): -34.7054 -34.7054 -34.7042 -34.7042 -15.9657 -15.9657 -15.9610 -15.9610 -15.6043 -15.6043 -15.5940 -15.5940 -15.5726 -15.5726 -15.5622 -15.5622 -0.4771 -0.4771 -0.4272 -0.4272 -0.4199 -0.4199 -0.4012 -0.4012 -0.1237 -0.1237 -0.0900 -0.0900 0.0562 0.0562 0.0720 0.0720 0.1235 0.1235 0.1588 0.1588 1.4091 1.4091 3.8283 3.8283 4.9813 4.9813 7.2442 7.2442 7.7053 7.7053 7.7717 7.7717 8.6196 8.6196 8.9569 8.9569 k =-0.3222 0.6721-0.0000 ( 3854 PWs) bands (ev): -34.7052 -34.7052 -34.7043 -34.7043 -15.9656 -15.9656 -15.9618 -15.9618 -15.6049 -15.6049 -15.5946 -15.5946 -15.5726 -15.5726 -15.5623 -15.5623 -0.4768 -0.4768 -0.4272 -0.4272 -0.4198 -0.4198 -0.4014 -0.4014 -0.1242 -0.1242 -0.0903 -0.0903 0.0566 0.0566 0.0739 0.0739 0.1243 0.1243 0.1586 0.1586 1.4462 1.4462 3.9022 3.9022 4.8793 4.8793 7.2400 7.2400 7.6693 7.6693 7.6901 7.6901 8.6610 8.6610 8.9383 8.9383 k =-0.3157 0.6903-0.0000 ( 3842 PWs) bands (ev): -34.7049 -34.7049 -34.7044 -34.7044 -15.9656 -15.9656 -15.9625 -15.9625 -15.6054 -15.6054 -15.5951 -15.5951 -15.5726 -15.5726 -15.5623 -15.5623 -0.4764 -0.4764 -0.4271 -0.4271 -0.4197 -0.4197 -0.4015 -0.4015 -0.1246 -0.1246 -0.0904 -0.0904 0.0570 0.0570 0.0757 0.0757 0.1250 0.1250 0.1584 0.1584 1.4819 1.4819 3.9776 3.9776 4.7829 4.7829 7.2366 7.2366 7.5809 7.5809 7.6556 7.6556 8.7062 8.7062 8.9215 8.9215 k =-0.3091 0.7085-0.0000 ( 3832 PWs) bands (ev): -34.7047 -34.7047 -34.7045 -34.7045 -15.9658 -15.9658 -15.9629 -15.9629 -15.6059 -15.6059 -15.5956 -15.5956 -15.5727 -15.5727 -15.5622 -15.5622 -0.4760 -0.4760 -0.4270 -0.4270 -0.4196 -0.4196 -0.4016 -0.4016 -0.1250 -0.1250 -0.0906 -0.0906 0.0574 0.0574 0.0774 0.0774 0.1257 0.1257 0.1582 0.1582 1.5154 1.5154 4.0546 4.0546 4.6927 4.6927 7.2338 7.2338 7.4854 7.4854 7.6244 7.6244 8.7547 8.7547 8.9065 8.9065 k =-0.3025 0.7267-0.0000 ( 3826 PWs) bands (ev): -34.7046 -34.7046 -34.7045 -34.7045 -15.9663 -15.9663 -15.9630 -15.9630 -15.6064 -15.6064 -15.5962 -15.5962 -15.5728 -15.5728 -15.5620 -15.5620 -0.4757 -0.4757 -0.4270 -0.4270 -0.4196 -0.4196 -0.4018 -0.4018 -0.1254 -0.1254 -0.0908 -0.0908 0.0577 0.0577 0.0789 0.0789 0.1264 0.1264 0.1581 0.1581 1.5463 1.5463 4.1328 4.1328 4.6094 4.6094 7.2315 7.2315 7.3896 7.3896 7.5916 7.5916 8.8060 8.8060 8.8933 8.8933 k =-0.2959 0.7448-0.0000 ( 3834 PWs) bands (ev): -34.7048 -34.7048 -34.7043 -34.7043 -15.9671 -15.9671 -15.9629 -15.9629 -15.6069 -15.6069 -15.5967 -15.5967 -15.5730 -15.5730 -15.5617 -15.5617 -0.4755 -0.4755 -0.4270 -0.4270 -0.4196 -0.4196 -0.4019 -0.4019 -0.1257 -0.1257 -0.0909 -0.0909 0.0579 0.0579 0.0803 0.0803 0.1270 0.1270 0.1579 0.1579 1.5738 1.5738 4.2119 4.2119 4.5337 4.5337 7.2281 7.2281 7.2961 7.2961 7.5572 7.5572 8.8598 8.8598 8.8820 8.8820 k =-0.2893 0.7630-0.0000 ( 3830 PWs) bands (ev): -34.7049 -34.7049 -34.7040 -34.7040 -15.9679 -15.9679 -15.9626 -15.9626 -15.6074 -15.6074 -15.5972 -15.5972 -15.5731 -15.5731 -15.5613 -15.5613 -0.4753 -0.4753 -0.4269 -0.4269 -0.4196 -0.4196 -0.4020 -0.4020 -0.1260 -0.1260 -0.0910 -0.0910 0.0581 0.0581 0.0815 0.0815 0.1275 0.1275 0.1578 0.1578 1.5974 1.5974 4.2917 4.2917 4.4663 4.4663 7.1903 7.1903 7.2393 7.2393 7.5217 7.5217 8.8728 8.8728 8.9157 8.9157 k =-0.2827 0.7812-0.0000 ( 3831 PWs) bands (ev): -34.7051 -34.7051 -34.7038 -34.7038 -15.9687 -15.9687 -15.9622 -15.9622 -15.6078 -15.6078 -15.5977 -15.5977 -15.5733 -15.5733 -15.5610 -15.5610 -0.4752 -0.4752 -0.4269 -0.4269 -0.4196 -0.4196 -0.4020 -0.4020 -0.1263 -0.1263 -0.0911 -0.0911 0.0583 0.0583 0.0825 0.0825 0.1280 0.1280 0.1577 0.1577 1.6163 1.6163 4.3714 4.3714 4.4083 4.4083 7.1020 7.1020 7.2358 7.2358 7.4852 7.4852 8.8655 8.8655 8.9733 8.9733 k =-0.2827 0.7812-0.0000 ( 3831 PWs) bands (ev): -34.7051 -34.7051 -34.7038 -34.7038 -15.9687 -15.9687 -15.9622 -15.9622 -15.6078 -15.6078 -15.5977 -15.5977 -15.5733 -15.5733 -15.5610 -15.5610 -0.4752 -0.4752 -0.4269 -0.4269 -0.4196 -0.4196 -0.4020 -0.4020 -0.1263 -0.1263 -0.0911 -0.0911 0.0583 0.0583 0.0825 0.0825 0.1280 0.1280 0.1577 0.1577 1.6163 1.6163 4.3714 4.3714 4.4083 4.4083 7.1020 7.1020 7.2358 7.2358 7.4852 7.4852 8.8655 8.8655 8.9733 8.9733 k =-0.2827 0.7812 0.0193 ( 3830 PWs) bands (ev): -34.7051 -34.7051 -34.7038 -34.7038 -15.9687 -15.9687 -15.9622 -15.9622 -15.6079 -15.6079 -15.5976 -15.5976 -15.5733 -15.5733 -15.5610 -15.5610 -0.4752 -0.4752 -0.4279 -0.4279 -0.4188 -0.4188 -0.4018 -0.4018 -0.1263 -0.1263 -0.0908 -0.0908 0.0583 0.0583 0.0823 0.0823 0.1273 0.1273 0.1587 0.1587 1.6174 1.6174 4.3719 4.3719 4.4099 4.4099 7.0957 7.0957 7.2355 7.2355 7.4850 7.4850 8.8372 8.8372 9.0008 9.0008 k =-0.2827 0.7812 0.0386 ( 3836 PWs) bands (ev): -34.7050 -34.7050 -34.7038 -34.7038 -15.9687 -15.9687 -15.9622 -15.9622 -15.6080 -15.6080 -15.5975 -15.5975 -15.5735 -15.5735 -15.5610 -15.5610 -0.4753 -0.4753 -0.4301 -0.4301 -0.4172 -0.4172 -0.4009 -0.4009 -0.1265 -0.1265 -0.0901 -0.0901 0.0581 0.0581 0.0817 0.0817 0.1252 0.1252 0.1612 0.1612 1.6206 1.6206 4.3734 4.3734 4.4148 4.4148 7.0769 7.0769 7.2348 7.2348 7.4845 7.4845 8.7837 8.7837 9.0521 9.0521 k =-0.2827 0.7812 0.0579 ( 3835 PWs) bands (ev): -34.7050 -34.7050 -34.7038 -34.7038 -15.9688 -15.9688 -15.9623 -15.9623 -15.6082 -15.6082 -15.5973 -15.5973 -15.5736 -15.5736 -15.5610 -15.5610 -0.4754 -0.4754 -0.4326 -0.4326 -0.4157 -0.4157 -0.3995 -0.3995 -0.1268 -0.1268 -0.0889 -0.0889 0.0579 0.0579 0.0807 0.0807 0.1226 0.1226 0.1648 0.1648 1.6261 1.6261 4.3758 4.3758 4.4230 4.4230 7.0462 7.0462 7.2336 7.2336 7.4835 7.4835 8.7242 8.7242 9.1080 9.1080 k =-0.2827 0.7812 0.0772 ( 3841 PWs) bands (ev): -34.7050 -34.7050 -34.7038 -34.7038 -15.9688 -15.9688 -15.9624 -15.9624 -15.6085 -15.6085 -15.5971 -15.5971 -15.5739 -15.5739 -15.5610 -15.5610 -0.4756 -0.4756 -0.4351 -0.4351 -0.4146 -0.4146 -0.3975 -0.3975 -0.1272 -0.1272 -0.0873 -0.0873 0.0577 0.0577 0.0791 0.0791 0.1198 0.1198 0.1689 0.1689 1.6337 1.6337 4.3790 4.3790 4.4344 4.4344 7.0043 7.0043 7.2320 7.2320 7.4822 7.4822 8.6625 8.6625 9.1646 9.1646 k =-0.2827 0.7812 0.0965 ( 3840 PWs) bands (ev): -34.7050 -34.7050 -34.7038 -34.7038 -15.9688 -15.9688 -15.9625 -15.9625 -15.6088 -15.6088 -15.5968 -15.5968 -15.5742 -15.5742 -15.5610 -15.5610 -0.4759 -0.4759 -0.4375 -0.4375 -0.4139 -0.4139 -0.3951 -0.3951 -0.1275 -0.1275 -0.0855 -0.0855 0.0574 0.0574 0.0771 0.0771 0.1172 0.1172 0.1733 0.1733 1.6435 1.6435 4.3829 4.3829 4.4491 4.4491 6.9524 6.9524 7.2299 7.2299 7.4804 7.4804 8.5999 8.5999 9.2210 9.2210 k =-0.2827 0.7812 0.1158 ( 3840 PWs) bands (ev): -34.7050 -34.7050 -34.7038 -34.7038 -15.9689 -15.9689 -15.9626 -15.9626 -15.6092 -15.6092 -15.5965 -15.5965 -15.5746 -15.5746 -15.5611 -15.5611 -0.4763 -0.4763 -0.4396 -0.4396 -0.4136 -0.4136 -0.3924 -0.3924 -0.1277 -0.1277 -0.0834 -0.0834 0.0571 0.0571 0.0746 0.0746 0.1149 0.1149 0.1778 0.1778 1.6556 1.6556 4.3873 4.3873 4.4670 4.4670 6.8919 6.8919 7.2273 7.2273 7.4780 7.4780 8.5368 8.5368 9.2717 9.2717 k =-0.2827 0.7812 0.1351 ( 3838 PWs) bands (ev): -34.7050 -34.7050 -34.7038 -34.7038 -15.9689 -15.9689 -15.9628 -15.9628 -15.6096 -15.6096 -15.5961 -15.5961 -15.5750 -15.5750 -15.5611 -15.5611 -0.4768 -0.4768 -0.4415 -0.4415 -0.4134 -0.4134 -0.3895 -0.3895 -0.1278 -0.1278 -0.0811 -0.0811 0.0568 0.0568 0.0716 0.0716 0.1131 0.1131 0.1822 0.1822 1.6699 1.6699 4.3920 4.3920 4.4881 4.4881 6.8241 6.8241 7.2241 7.2241 7.4749 7.4749 8.4737 8.4737 9.2196 9.2196 k =-0.2827 0.7812 0.1544 ( 3838 PWs) bands (ev): -34.7049 -34.7049 -34.7038 -34.7038 -15.9690 -15.9690 -15.9630 -15.9630 -15.6100 -15.6100 -15.5957 -15.5957 -15.5755 -15.5755 -15.5612 -15.5612 -0.4775 -0.4775 -0.4430 -0.4430 -0.4135 -0.4135 -0.3867 -0.3867 -0.1278 -0.1278 -0.0787 -0.0787 0.0564 0.0564 0.0684 0.0684 0.1116 0.1116 0.1866 0.1866 1.6865 1.6865 4.3968 4.3968 4.5124 4.5124 6.7505 6.7505 7.2201 7.2201 7.4710 7.4710 8.4109 8.4109 9.1620 9.1620 k =-0.2827 0.7812 0.1737 ( 3844 PWs) bands (ev): -34.7049 -34.7049 -34.7038 -34.7038 -15.9691 -15.9691 -15.9632 -15.9632 -15.6104 -15.6104 -15.5953 -15.5953 -15.5760 -15.5760 -15.5612 -15.5612 -0.4782 -0.4782 -0.4443 -0.4443 -0.4137 -0.4137 -0.3840 -0.3840 -0.1275 -0.1275 -0.0763 -0.0763 0.0560 0.0560 0.0650 0.0650 0.1106 0.1106 0.1907 0.1907 1.7053 1.7053 4.4014 4.4014 4.5398 4.5398 6.6726 6.6726 7.2152 7.2152 7.4661 7.4661 8.3486 8.3486 9.1039 9.1039 k =-0.2827 0.7812 0.1930 ( 3844 PWs) bands (ev): -34.7049 -34.7049 -34.7037 -34.7037 -15.9691 -15.9691 -15.9634 -15.9634 -15.6109 -15.6109 -15.5949 -15.5949 -15.5766 -15.5766 -15.5613 -15.5613 -0.4791 -0.4791 -0.4452 -0.4452 -0.4139 -0.4139 -0.3814 -0.3814 -0.1270 -0.1270 -0.0740 -0.0740 0.0553 0.0553 0.0617 0.0617 0.1099 0.1099 0.1946 0.1946 1.7265 1.7265 4.4054 4.4054 4.5702 4.5702 6.5917 6.5917 7.2092 7.2092 7.4598 7.4598 8.2875 8.2875 9.0460 9.0460 k =-0.2827 0.7812 0.2123 ( 3844 PWs) bands (ev): -34.7048 -34.7048 -34.7037 -34.7037 -15.9692 -15.9692 -15.9636 -15.9636 -15.6113 -15.6113 -15.5945 -15.5945 -15.5772 -15.5772 -15.5614 -15.5614 -0.4800 -0.4800 -0.4458 -0.4458 -0.4142 -0.4142 -0.3790 -0.3790 -0.1262 -0.1262 -0.0716 -0.0716 0.0538 0.0538 0.0593 0.0593 0.1094 0.1094 0.1982 0.1982 1.7500 1.7500 4.4083 4.4083 4.6037 4.6037 6.5094 6.5094 7.2019 7.2019 7.4518 7.4518 8.2279 8.2279 8.9883 8.9883 k =-0.2827 0.7812 0.2316 ( 3844 PWs) bands (ev): -34.7048 -34.7048 -34.7037 -34.7037 -15.9693 -15.9693 -15.9639 -15.9639 -15.6118 -15.6118 -15.5942 -15.5942 -15.5779 -15.5779 -15.5615 -15.5615 -0.4810 -0.4810 -0.4462 -0.4462 -0.4145 -0.4145 -0.3768 -0.3768 -0.1252 -0.1252 -0.0695 -0.0695 0.0512 0.0512 0.0581 0.0581 0.1093 0.1093 0.2015 0.2015 1.7759 1.7759 4.4096 4.4096 4.6400 4.6400 6.4269 6.4269 7.1931 7.1931 7.4418 7.4418 8.1705 8.1705 8.9313 8.9313 k =-0.2827 0.7812 0.2509 ( 3847 PWs) bands (ev): -34.7048 -34.7048 -34.7037 -34.7037 -15.9694 -15.9694 -15.9641 -15.9641 -15.6122 -15.6122 -15.5938 -15.5938 -15.5786 -15.5786 -15.5616 -15.5616 -0.4820 -0.4820 -0.4464 -0.4464 -0.4148 -0.4148 -0.3749 -0.3749 -0.1240 -0.1240 -0.0674 -0.0674 0.0481 0.0481 0.0578 0.0578 0.1093 0.1093 0.2045 0.2045 1.8042 1.8042 4.4088 4.4088 4.6792 4.6792 6.3456 6.3456 7.1826 7.1826 7.4290 7.4290 8.1158 8.1158 8.8750 8.8750 k =-0.2827 0.7812 0.2702 ( 3851 PWs) bands (ev): -34.7047 -34.7047 -34.7037 -34.7037 -15.9695 -15.9695 -15.9644 -15.9644 -15.6127 -15.6127 -15.5934 -15.5934 -15.5792 -15.5792 -15.5617 -15.5617 -0.4829 -0.4829 -0.4466 -0.4466 -0.4151 -0.4151 -0.3734 -0.3734 -0.1225 -0.1225 -0.0656 -0.0656 0.0448 0.0448 0.0579 0.0579 0.1095 0.1095 0.2070 0.2070 1.8349 1.8349 4.4051 4.4051 4.7212 4.7212 6.2668 6.2668 7.1701 7.1701 7.4130 7.4130 8.0648 8.0648 8.8197 8.8197 k =-0.2827 0.7812 0.2895 ( 3859 PWs) bands (ev): -34.7047 -34.7047 -34.7037 -34.7037 -15.9696 -15.9696 -15.9647 -15.9647 -15.6131 -15.6131 -15.5931 -15.5931 -15.5800 -15.5800 -15.5619 -15.5619 -0.4838 -0.4838 -0.4466 -0.4466 -0.4153 -0.4153 -0.3721 -0.3721 -0.1209 -0.1209 -0.0639 -0.0639 0.0418 0.0418 0.0581 0.0581 0.1098 0.1098 0.2092 0.2092 1.8680 1.8680 4.3977 4.3977 4.7659 4.7659 6.1919 6.1919 7.1555 7.1555 7.3930 7.3930 8.0180 8.0180 8.7657 8.7657 k =-0.2827 0.7812 0.3088 ( 3855 PWs) bands (ev): -34.7046 -34.7046 -34.7037 -34.7037 -15.9697 -15.9697 -15.9650 -15.9650 -15.6135 -15.6135 -15.5927 -15.5927 -15.5807 -15.5807 -15.5620 -15.5620 -0.4845 -0.4845 -0.4466 -0.4466 -0.4155 -0.4155 -0.3711 -0.3711 -0.1191 -0.1191 -0.0625 -0.0625 0.0390 0.0390 0.0586 0.0586 0.1103 0.1103 0.2110 0.2110 1.9036 1.9036 4.3859 4.3859 4.8132 4.8132 6.1221 6.1221 7.1385 7.1385 7.3684 7.3684 7.9764 7.9764 8.7131 8.7131 k =-0.2827 0.7812 0.3281 ( 3855 PWs) bands (ev): -34.7046 -34.7046 -34.7037 -34.7037 -15.9698 -15.9698 -15.9653 -15.9653 -15.6139 -15.6139 -15.5924 -15.5924 -15.5814 -15.5814 -15.5621 -15.5621 -0.4851 -0.4851 -0.4466 -0.4466 -0.4156 -0.4156 -0.3705 -0.3705 -0.1171 -0.1171 -0.0614 -0.0614 0.0366 0.0366 0.0592 0.0592 0.1110 0.1110 0.2123 0.2123 1.9417 1.9417 4.3688 4.3688 4.8630 4.8630 6.0586 6.0586 7.1188 7.1188 7.3387 7.3387 7.9406 7.9406 8.6620 8.6620 k =-0.2827 0.7812 0.3475 ( 3857 PWs) bands (ev): -34.7045 -34.7045 -34.7036 -34.7036 -15.9699 -15.9699 -15.9656 -15.9656 -15.6143 -15.6143 -15.5921 -15.5921 -15.5821 -15.5821 -15.5623 -15.5623 -0.4856 -0.4856 -0.4466 -0.4466 -0.4157 -0.4157 -0.3701 -0.3701 -0.1151 -0.1151 -0.0606 -0.0606 0.0346 0.0346 0.0599 0.0599 0.1119 0.1119 0.2133 0.2133 1.9822 1.9822 4.3458 4.3458 4.9152 4.9152 6.0025 6.0025 7.0963 7.0963 7.3038 7.3038 7.9107 7.9107 8.6125 8.6125 k =-0.2827 0.7812 0.3668 ( 3859 PWs) bands (ev): -34.7045 -34.7045 -34.7036 -34.7036 -15.9700 -15.9700 -15.9659 -15.9659 -15.6146 -15.6146 -15.5919 -15.5919 -15.5828 -15.5828 -15.5624 -15.5624 -0.4859 -0.4859 -0.4467 -0.4467 -0.4156 -0.4156 -0.3701 -0.3701 -0.1129 -0.1129 -0.0601 -0.0601 0.0331 0.0331 0.0607 0.0607 0.1129 0.1129 0.2138 0.2138 2.0252 2.0252 4.3162 4.3162 4.9697 4.9697 5.9546 5.9546 7.0707 7.0707 7.2636 7.2636 7.8870 7.8870 8.5649 8.5649 k =-0.2827 0.7812 0.3861 ( 3851 PWs) bands (ev): -34.7044 -34.7044 -34.7036 -34.7036 -15.9701 -15.9701 -15.9662 -15.9662 -15.6149 -15.6149 -15.5916 -15.5916 -15.5834 -15.5834 -15.5625 -15.5625 -0.4859 -0.4859 -0.4468 -0.4468 -0.4155 -0.4155 -0.3703 -0.3703 -0.1107 -0.1107 -0.0598 -0.0598 0.0320 0.0320 0.0615 0.0615 0.1142 0.1142 0.2138 0.2138 2.0708 2.0708 4.2795 4.2795 5.0264 5.0264 5.9158 5.9158 7.0419 7.0419 7.2187 7.2187 7.8691 7.8691 8.5191 8.5191 k =-0.2827 0.7812 0.4054 ( 3849 PWs) bands (ev): -34.7043 -34.7043 -34.7036 -34.7036 -15.9702 -15.9702 -15.9665 -15.9665 -15.6152 -15.6152 -15.5914 -15.5914 -15.5841 -15.5841 -15.5627 -15.5627 -0.4859 -0.4859 -0.4471 -0.4471 -0.4152 -0.4152 -0.3708 -0.3708 -0.1086 -0.1086 -0.0599 -0.0599 0.0314 0.0314 0.0622 0.0622 0.1157 0.1157 0.2135 0.2135 2.1187 2.1187 4.2358 4.2358 5.0851 5.0851 5.8861 5.8861 7.0098 7.0098 7.1697 7.1697 7.8566 7.8566 8.4751 8.4751 k =-0.2827 0.7812 0.4247 ( 3842 PWs) bands (ev): -34.7043 -34.7043 -34.7036 -34.7036 -15.9703 -15.9703 -15.9668 -15.9668 -15.6155 -15.6155 -15.5913 -15.5913 -15.5846 -15.5846 -15.5628 -15.5628 -0.4856 -0.4856 -0.4476 -0.4476 -0.4149 -0.4149 -0.3715 -0.3715 -0.1064 -0.1064 -0.0602 -0.0602 0.0313 0.0313 0.0630 0.0630 0.1175 0.1175 0.2127 0.2127 2.1692 2.1692 4.1851 4.1851 5.1458 5.1458 5.8658 5.8658 6.9743 6.9743 7.1173 7.1173 7.8487 7.8487 8.4332 8.4332 k =-0.2827 0.7812 0.4440 ( 3838 PWs) bands (ev): -34.7042 -34.7042 -34.7036 -34.7036 -15.9703 -15.9703 -15.9671 -15.9671 -15.6157 -15.6157 -15.5912 -15.5912 -15.5852 -15.5852 -15.5629 -15.5629 -0.4851 -0.4851 -0.4481 -0.4481 -0.4144 -0.4144 -0.3725 -0.3725 -0.1042 -0.1042 -0.0608 -0.0608 0.0316 0.0316 0.0636 0.0636 0.1195 0.1195 0.2115 0.2115 2.2221 2.2221 4.1279 4.1279 5.2082 5.2082 5.8543 5.8543 6.9354 6.9354 7.0622 7.0622 7.8449 7.8449 8.3931 8.3931 k =-0.2827 0.7812 0.4633 ( 3841 PWs) bands (ev): -34.7042 -34.7042 -34.7036 -34.7036 -15.9704 -15.9704 -15.9674 -15.9674 -15.6159 -15.6159 -15.5911 -15.5911 -15.5857 -15.5857 -15.5631 -15.5631 -0.4845 -0.4845 -0.4488 -0.4488 -0.4138 -0.4138 -0.3737 -0.3737 -0.1022 -0.1022 -0.0616 -0.0616 0.0324 0.0324 0.0642 0.0642 0.1218 0.1218 0.2099 0.2099 2.2775 2.2775 4.0648 4.0648 5.2722 5.2722 5.8513 5.8513 6.8931 6.8931 7.0050 7.0050 7.8446 7.8446 8.3548 8.3548 k =-0.2827 0.7812 0.4826 ( 3842 PWs) bands (ev): -34.7041 -34.7041 -34.7036 -34.7036 -15.9705 -15.9705 -15.9677 -15.9677 -15.6161 -15.6161 -15.5912 -15.5912 -15.5861 -15.5861 -15.5632 -15.5632 -0.4837 -0.4837 -0.4497 -0.4497 -0.4130 -0.4130 -0.3751 -0.3751 -0.1002 -0.1002 -0.0626 -0.0626 0.0334 0.0334 0.0645 0.0645 0.1244 0.1244 0.2079 0.2079 2.3352 2.3352 3.9966 3.9966 5.3377 5.3377 5.8559 5.8559 6.8476 6.8476 6.9466 6.9466 7.8474 7.8474 8.3183 8.3183 k =-0.2827 0.7812 0.5019 ( 3841 PWs) bands (ev): -34.7041 -34.7041 -34.7036 -34.7036 -15.9706 -15.9706 -15.9679 -15.9679 -15.6163 -15.6163 -15.5912 -15.5912 -15.5864 -15.5864 -15.5634 -15.5634 -0.4828 -0.4828 -0.4507 -0.4507 -0.4122 -0.4122 -0.3766 -0.3766 -0.0982 -0.0982 -0.0637 -0.0637 0.0348 0.0348 0.0647 0.0647 0.1272 0.1272 0.2056 0.2056 2.3953 2.3953 3.9241 3.9241 5.4044 5.4044 5.8674 5.8674 6.7991 6.7991 6.8872 6.8872 7.8529 7.8529 8.2834 8.2834 k =-0.2827 0.7812 0.5212 ( 3841 PWs) bands (ev): -34.7040 -34.7040 -34.7036 -34.7036 -15.9706 -15.9706 -15.9682 -15.9682 -15.6165 -15.6165 -15.5914 -15.5914 -15.5866 -15.5866 -15.5635 -15.5635 -0.4817 -0.4817 -0.4518 -0.4518 -0.4112 -0.4112 -0.3782 -0.3782 -0.0964 -0.0964 -0.0650 -0.0650 0.0365 0.0365 0.0647 0.0647 0.1304 0.1304 0.2029 0.2029 2.4577 2.4577 3.8481 3.8481 5.4722 5.4722 5.8849 5.8849 6.7478 6.7478 6.8275 6.8275 7.8608 7.8608 8.2501 8.2501 k =-0.2827 0.7812 0.5405 ( 3849 PWs) bands (ev): -34.7040 -34.7040 -34.7036 -34.7036 -15.9707 -15.9707 -15.9685 -15.9685 -15.6166 -15.6166 -15.5916 -15.5916 -15.5868 -15.5868 -15.5636 -15.5636 -0.4804 -0.4804 -0.4531 -0.4531 -0.4102 -0.4102 -0.3799 -0.3799 -0.0946 -0.0946 -0.0664 -0.0664 0.0384 0.0384 0.0644 0.0644 0.1338 0.1338 0.1999 0.1999 2.5225 2.5225 3.7694 3.7694 5.5407 5.5407 5.9076 5.9076 6.6942 6.6942 6.7677 6.7677 7.8707 7.8707 8.2183 8.2183 k =-0.2827 0.7812 0.5598 ( 3847 PWs) bands (ev): -34.7039 -34.7039 -34.7036 -34.7036 -15.9707 -15.9707 -15.9687 -15.9687 -15.6167 -15.6167 -15.5918 -15.5918 -15.5870 -15.5870 -15.5637 -15.5637 -0.4790 -0.4790 -0.4545 -0.4545 -0.4090 -0.4090 -0.3817 -0.3817 -0.0929 -0.0929 -0.0679 -0.0679 0.0405 0.0405 0.0640 0.0640 0.1375 0.1375 0.1966 0.1966 2.5894 2.5894 3.6887 3.6887 5.6098 5.6098 5.9344 5.9344 6.6387 6.6387 6.7084 6.7084 7.8825 7.8825 8.1878 8.1878 k =-0.2827 0.7812 0.5791 ( 3847 PWs) bands (ev): -34.7039 -34.7039 -34.7036 -34.7036 -15.9708 -15.9708 -15.9689 -15.9689 -15.6168 -15.6168 -15.5920 -15.5920 -15.5870 -15.5870 -15.5638 -15.5638 -0.4775 -0.4775 -0.4560 -0.4560 -0.4077 -0.4077 -0.3836 -0.3836 -0.0912 -0.0912 -0.0693 -0.0693 0.0426 0.0426 0.0633 0.0633 0.1414 0.1414 0.1930 0.1930 2.6584 2.6584 3.6067 3.6067 5.6790 5.6790 5.9644 5.9644 6.5821 6.5821 6.6499 6.6499 7.8960 7.8960 8.1586 8.1586 k =-0.2827 0.7812 0.5984 ( 3847 PWs) bands (ev): -34.7039 -34.7039 -34.7036 -34.7036 -15.9708 -15.9708 -15.9691 -15.9691 -15.6169 -15.6169 -15.5922 -15.5922 -15.5871 -15.5871 -15.5639 -15.5639 -0.4759 -0.4759 -0.4576 -0.4576 -0.4064 -0.4064 -0.3855 -0.3855 -0.0897 -0.0897 -0.0708 -0.0708 0.0448 0.0448 0.0625 0.0625 0.1455 0.1455 0.1892 0.1892 2.7295 2.7295 3.5239 3.5239 5.7479 5.7479 5.9962 5.9962 6.5254 6.5254 6.5928 6.5928 7.9111 7.9111 8.1306 8.1306 k =-0.2827 0.7812 0.6177 ( 3851 PWs) bands (ev): -34.7038 -34.7038 -34.7036 -34.7036 -15.9708 -15.9708 -15.9693 -15.9693 -15.6169 -15.6169 -15.5924 -15.5924 -15.5871 -15.5871 -15.5640 -15.5640 -0.4743 -0.4743 -0.4594 -0.4594 -0.4050 -0.4050 -0.3873 -0.3873 -0.0882 -0.0882 -0.0722 -0.0722 0.0470 0.0470 0.0614 0.0614 0.1498 0.1498 0.1852 0.1852 2.8026 2.8026 3.4407 3.4407 5.8159 5.8159 6.0278 6.0278 6.4704 6.4704 6.5376 6.5376 7.9276 7.9276 8.1037 8.1037 k =-0.2827 0.7812 0.6370 ( 3849 PWs) bands (ev): -34.7038 -34.7038 -34.7036 -34.7036 -15.9708 -15.9708 -15.9694 -15.9694 -15.6170 -15.6170 -15.5926 -15.5926 -15.5871 -15.5871 -15.5640 -15.5640 -0.4725 -0.4725 -0.4611 -0.4611 -0.4036 -0.4036 -0.3890 -0.3890 -0.0868 -0.0868 -0.0736 -0.0736 0.0492 0.0492 0.0601 0.0601 0.1542 0.1542 0.1810 0.1810 2.8776 2.8776 3.3576 3.3576 5.8820 5.8820 6.0559 6.0559 6.4203 6.4203 6.4856 6.4856 7.9455 7.9455 8.0779 8.0779 k =-0.2827 0.7812 0.6563 ( 3849 PWs) bands (ev): -34.7037 -34.7037 -34.7036 -34.7036 -15.9708 -15.9708 -15.9695 -15.9695 -15.6170 -15.6170 -15.5927 -15.5927 -15.5871 -15.5871 -15.5640 -15.5640 -0.4707 -0.4707 -0.4629 -0.4629 -0.4024 -0.4024 -0.3905 -0.3905 -0.0857 -0.0857 -0.0747 -0.0747 0.0513 0.0513 0.0587 0.0587 0.1587 0.1587 0.1767 0.1767 2.9542 2.9542 3.2750 3.2750 5.9444 5.9444 6.0743 6.0743 6.3811 6.3811 6.4382 6.4382 7.9646 7.9646 8.0532 8.0532 k =-0.2827 0.7812 0.6756 ( 3853 PWs) bands (ev): -34.7037 -34.7037 -34.7037 -34.7037 -15.9708 -15.9708 -15.9696 -15.9696 -15.6170 -15.6170 -15.5928 -15.5928 -15.5872 -15.5872 -15.5641 -15.5641 -0.4690 -0.4690 -0.4646 -0.4646 -0.4014 -0.4014 -0.3916 -0.3916 -0.0848 -0.0848 -0.0756 -0.0756 0.0533 0.0533 0.0571 0.0571 0.1632 0.1632 0.1722 0.1722 3.0325 3.0325 3.1931 3.1931 5.9996 5.9996 6.0749 6.0749 6.3612 6.3612 6.3991 6.3991 7.9848 7.9848 8.0296 8.0296 k =-0.2827 0.7812 0.6949 ( 3862 PWs) bands (ev): -34.7037 -34.7037 -34.7037 -34.7037 -15.9708 -15.9708 -15.9696 -15.9696 -15.6170 -15.6170 -15.5928 -15.5928 -15.5872 -15.5872 -15.5641 -15.5641 -0.4680 -0.4680 -0.4657 -0.4657 -0.4011 -0.4011 -0.3921 -0.3921 -0.0845 -0.0845 -0.0759 -0.0759 0.0548 0.0548 0.0557 0.0557 0.1674 0.1674 0.1679 0.1679 3.1104 3.1104 3.1139 3.1139 6.0326 6.0326 6.0615 6.0615 6.3608 6.3608 6.3787 6.3787 8.0027 8.0027 8.0106 8.0106 k =-0.2827 0.7812 0.6949 ( 3862 PWs) bands (ev): -34.7037 -34.7037 -34.7037 -34.7037 -15.9708 -15.9708 -15.9696 -15.9696 -15.6170 -15.6170 -15.5928 -15.5928 -15.5872 -15.5872 -15.5641 -15.5641 -0.4680 -0.4680 -0.4657 -0.4657 -0.4011 -0.4011 -0.3921 -0.3921 -0.0845 -0.0845 -0.0759 -0.0759 0.0548 0.0548 0.0557 0.0557 0.1674 0.1674 0.1679 0.1679 3.1104 3.1104 3.1139 3.1139 6.0326 6.0326 6.0615 6.0615 6.3608 6.3608 6.3787 6.3787 8.0027 8.0027 8.0106 8.0106 k =-0.2893 0.7630 0.6949 ( 3850 PWs) bands (ev): -34.7037 -34.7037 -34.7037 -34.7037 -15.9707 -15.9707 -15.9695 -15.9695 -15.6174 -15.6174 -15.5919 -15.5919 -15.5876 -15.5876 -15.5633 -15.5633 -0.4679 -0.4679 -0.4656 -0.4656 -0.4011 -0.4011 -0.3917 -0.3917 -0.0849 -0.0849 -0.0757 -0.0757 0.0545 0.0545 0.0557 0.0557 0.1669 0.1669 0.1671 0.1671 3.1023 3.1023 3.1060 3.1060 6.0155 6.0155 6.0435 6.0435 6.3570 6.3570 6.3741 6.3741 8.0388 8.0388 8.0466 8.0466 k =-0.2959 0.7448 0.6949 ( 3846 PWs) bands (ev): -34.7038 -34.7038 -34.7037 -34.7037 -15.9706 -15.9706 -15.9693 -15.9693 -15.6177 -15.6177 -15.5912 -15.5912 -15.5878 -15.5878 -15.5626 -15.5626 -0.4679 -0.4679 -0.4654 -0.4654 -0.4011 -0.4011 -0.3913 -0.3913 -0.0852 -0.0852 -0.0755 -0.0755 0.0542 0.0542 0.0557 0.0557 0.1662 0.1662 0.1663 0.1663 3.0912 3.0912 3.0952 3.0952 5.9892 5.9892 6.0148 6.0148 6.3692 6.3692 6.3839 6.3839 8.0771 8.0771 8.0850 8.0850 k =-0.3025 0.7267 0.6949 ( 3850 PWs) bands (ev): -34.7038 -34.7038 -34.7038 -34.7038 -15.9704 -15.9704 -15.9692 -15.9692 -15.6179 -15.6179 -15.5908 -15.5908 -15.5877 -15.5877 -15.5618 -15.5618 -0.4678 -0.4678 -0.4654 -0.4654 -0.4012 -0.4012 -0.3909 -0.3909 -0.0857 -0.0857 -0.0753 -0.0753 0.0539 0.0539 0.0556 0.0556 0.1654 0.1654 0.1655 0.1655 3.0774 3.0774 3.0816 3.0816 5.9546 5.9546 5.9771 5.9771 6.3958 6.3958 6.4075 6.4075 8.1178 8.1178 8.1257 8.1257 k =-0.3091 0.7085 0.6949 ( 3858 PWs) bands (ev): -34.7038 -34.7038 -34.7038 -34.7038 -15.9703 -15.9703 -15.9690 -15.9690 -15.6181 -15.6181 -15.5909 -15.5909 -15.5871 -15.5871 -15.5611 -15.5611 -0.4678 -0.4678 -0.4653 -0.4653 -0.4011 -0.4011 -0.3904 -0.3904 -0.0861 -0.0861 -0.0751 -0.0751 0.0535 0.0535 0.0555 0.0555 0.1643 0.1643 0.1646 0.1646 3.0612 3.0612 3.0655 3.0655 5.9134 5.9134 5.9330 5.9330 6.4341 6.4341 6.4428 6.4428 8.1607 8.1607 8.1687 8.1687 k =-0.3157 0.6903 0.6949 ( 3862 PWs) bands (ev): -34.7039 -34.7039 -34.7039 -34.7039 -15.9701 -15.9701 -15.9688 -15.9688 -15.6182 -15.6182 -15.5912 -15.5912 -15.5861 -15.5861 -15.5604 -15.5604 -0.4677 -0.4677 -0.4652 -0.4652 -0.4010 -0.4010 -0.3900 -0.3900 -0.0865 -0.0865 -0.0750 -0.0750 0.0531 0.0531 0.0554 0.0554 0.1632 0.1632 0.1637 0.1637 3.0428 3.0428 3.0473 3.0473 5.8678 5.8678 5.8848 5.8848 6.4817 6.4817 6.4878 6.4878 8.2058 8.2058 8.2139 8.2139 k =-0.3222 0.6721 0.6949 ( 3870 PWs) bands (ev): -34.7040 -34.7040 -34.7040 -34.7040 -15.9699 -15.9699 -15.9686 -15.9686 -15.6183 -15.6183 -15.5917 -15.5917 -15.5850 -15.5850 -15.5597 -15.5597 -0.4676 -0.4676 -0.4651 -0.4651 -0.4009 -0.4009 -0.3896 -0.3896 -0.0869 -0.0869 -0.0749 -0.0749 0.0527 0.0527 0.0553 0.0553 0.1620 0.1620 0.1627 0.1627 3.0226 3.0226 3.0272 3.0272 5.8194 5.8194 5.8343 5.8343 6.5367 6.5367 6.5407 6.5407 8.2531 8.2531 8.2612 8.2612 k =-0.3288 0.6539 0.6949 ( 3870 PWs) bands (ev): -34.7040 -34.7040 -34.7040 -34.7040 -15.9697 -15.9697 -15.9684 -15.9684 -15.6183 -15.6183 -15.5922 -15.5922 -15.5838 -15.5838 -15.5589 -15.5589 -0.4676 -0.4676 -0.4650 -0.4650 -0.4007 -0.4007 -0.3891 -0.3891 -0.0873 -0.0873 -0.0749 -0.0749 0.0523 0.0523 0.0552 0.0552 0.1608 0.1608 0.1617 0.1617 3.0009 3.0009 3.0056 3.0056 5.7693 5.7693 5.7824 5.7824 6.5980 6.5980 6.6002 6.6002 8.3025 8.3025 8.3106 8.3106 k =-0.3354 0.6357 0.6949 ( 3866 PWs) bands (ev): -34.7041 -34.7041 -34.7041 -34.7041 -15.9695 -15.9695 -15.9682 -15.9682 -15.6182 -15.6182 -15.5927 -15.5927 -15.5825 -15.5825 -15.5582 -15.5582 -0.4675 -0.4675 -0.4649 -0.4649 -0.4004 -0.4004 -0.3886 -0.3886 -0.0877 -0.0877 -0.0749 -0.0749 0.0519 0.0519 0.0551 0.0551 0.1595 0.1595 0.1606 0.1606 2.9779 2.9779 2.9826 2.9826 5.7184 5.7184 5.7301 5.7301 6.6645 6.6645 6.6652 6.6652 8.3539 8.3539 8.3620 8.3620 k =-0.3420 0.6175 0.6949 ( 3866 PWs) bands (ev): -34.7041 -34.7041 -34.7041 -34.7041 -15.9692 -15.9692 -15.9679 -15.9679 -15.6181 -15.6181 -15.5932 -15.5932 -15.5812 -15.5812 -15.5575 -15.5575 -0.4674 -0.4674 -0.4648 -0.4648 -0.4001 -0.4001 -0.3882 -0.3882 -0.0881 -0.0881 -0.0749 -0.0749 0.0514 0.0514 0.0550 0.0550 0.1582 0.1582 0.1595 0.1595 2.9539 2.9539 2.9588 2.9588 5.6674 5.6674 5.6779 5.6779 6.7350 6.7350 6.7355 6.7355 8.4072 8.4072 8.4154 8.4154 k =-0.3486 0.5993 0.6949 ( 3858 PWs) bands (ev): -34.7042 -34.7042 -34.7042 -34.7042 -15.9690 -15.9690 -15.9677 -15.9677 -15.6180 -15.6180 -15.5937 -15.5937 -15.5798 -15.5798 -15.5568 -15.5568 -0.4673 -0.4673 -0.4647 -0.4647 -0.3998 -0.3998 -0.3877 -0.3877 -0.0884 -0.0884 -0.0749 -0.0749 0.0510 0.0510 0.0549 0.0549 0.1569 0.1569 0.1583 0.1583 2.9293 2.9293 2.9342 2.9342 5.6166 5.6166 5.6261 5.6261 6.8088 6.8088 6.8103 6.8103 8.4624 8.4624 8.4706 8.4706 k =-0.3552 0.5811 0.6949 ( 3858 PWs) bands (ev): -34.7043 -34.7043 -34.7043 -34.7043 -15.9687 -15.9687 -15.9674 -15.9674 -15.6178 -15.6178 -15.5943 -15.5943 -15.5784 -15.5784 -15.5561 -15.5561 -0.4672 -0.4672 -0.4647 -0.4647 -0.3994 -0.3994 -0.3873 -0.3873 -0.0888 -0.0888 -0.0750 -0.0750 0.0506 0.0506 0.0547 0.0547 0.1556 0.1556 0.1572 0.1572 2.9043 2.9043 2.9091 2.9091 5.5666 5.5666 5.5752 5.5752 6.8860 6.8860 6.8885 6.8885 8.5194 8.5194 8.5276 8.5276 k =-0.3617 0.5629 0.6949 ( 3862 PWs) bands (ev): -34.7043 -34.7043 -34.7043 -34.7043 -15.9684 -15.9684 -15.9672 -15.9672 -15.6175 -15.6175 -15.5948 -15.5948 -15.5770 -15.5770 -15.5555 -15.5555 -0.4671 -0.4671 -0.4646 -0.4646 -0.3990 -0.3990 -0.3869 -0.3869 -0.0891 -0.0891 -0.0751 -0.0751 0.0501 0.0501 0.0545 0.0545 0.1543 0.1543 0.1560 0.1560 2.8790 2.8790 2.8838 2.8838 5.5176 5.5176 5.5254 5.5254 6.9662 6.9662 6.9695 6.9695 8.5780 8.5780 8.5862 8.5862 k =-0.3683 0.5448 0.6949 ( 3862 PWs) bands (ev): -34.7044 -34.7044 -34.7044 -34.7044 -15.9682 -15.9682 -15.9669 -15.9669 -15.6173 -15.6173 -15.5954 -15.5954 -15.5755 -15.5755 -15.5548 -15.5548 -0.4670 -0.4670 -0.4646 -0.4646 -0.3986 -0.3986 -0.3865 -0.3865 -0.0894 -0.0894 -0.0753 -0.0753 0.0497 0.0497 0.0543 0.0543 0.1530 0.1530 0.1548 0.1548 2.8537 2.8537 2.8585 2.8585 5.4698 5.4698 5.4770 5.4770 7.0489 7.0489 7.0529 7.0529 8.6383 8.6383 8.6465 8.6465 k =-0.3749 0.5266 0.6949 ( 3866 PWs) bands (ev): -34.7045 -34.7045 -34.7045 -34.7045 -15.9679 -15.9679 -15.9667 -15.9667 -15.6169 -15.6169 -15.5959 -15.5959 -15.5741 -15.5741 -15.5542 -15.5542 -0.4669 -0.4669 -0.4645 -0.4645 -0.3982 -0.3982 -0.3862 -0.3862 -0.0897 -0.0897 -0.0755 -0.0755 0.0492 0.0492 0.0540 0.0540 0.1518 0.1518 0.1537 0.1537 2.8286 2.8286 2.8334 2.8334 5.4234 5.4234 5.4300 5.4300 7.1336 7.1336 7.1382 7.1382 8.7001 8.7001 8.7081 8.7081 k =-0.3815 0.5084 0.6949 ( 3858 PWs) bands (ev): -34.7046 -34.7046 -34.7046 -34.7046 -15.9676 -15.9676 -15.9664 -15.9664 -15.6165 -15.6165 -15.5965 -15.5965 -15.5726 -15.5726 -15.5537 -15.5537 -0.4668 -0.4668 -0.4645 -0.4645 -0.3977 -0.3977 -0.3859 -0.3859 -0.0899 -0.0899 -0.0757 -0.0757 0.0488 0.0488 0.0537 0.0537 0.1506 0.1506 0.1526 0.1526 2.8040 2.8040 2.8086 2.8086 5.3787 5.3787 5.3848 5.3848 7.2199 7.2199 7.2252 7.2252 8.7632 8.7632 8.7711 8.7711 k =-0.3881 0.4902 0.6949 ( 3854 PWs) bands (ev): -34.7046 -34.7046 -34.7046 -34.7046 -15.9673 -15.9673 -15.9662 -15.9662 -15.6161 -15.6161 -15.5970 -15.5970 -15.5711 -15.5711 -15.5531 -15.5531 -0.4666 -0.4666 -0.4644 -0.4644 -0.3972 -0.3972 -0.3856 -0.3856 -0.0901 -0.0901 -0.0760 -0.0760 0.0484 0.0484 0.0534 0.0534 0.1494 0.1494 0.1515 0.1515 2.7798 2.7798 2.7843 2.7843 5.3358 5.3358 5.3414 5.3414 7.3075 7.3075 7.3133 7.3133 8.8276 8.8276 8.8353 8.8353 k =-0.3947 0.4720 0.6949 ( 3858 PWs) bands (ev): -34.7047 -34.7047 -34.7047 -34.7047 -15.9671 -15.9671 -15.9660 -15.9660 -15.6157 -15.6157 -15.5976 -15.5976 -15.5697 -15.5697 -15.5526 -15.5526 -0.4665 -0.4665 -0.4644 -0.4644 -0.3967 -0.3967 -0.3854 -0.3854 -0.0903 -0.0903 -0.0764 -0.0764 0.0480 0.0480 0.0531 0.0531 0.1483 0.1483 0.1504 0.1504 2.7564 2.7564 2.7608 2.7608 5.2948 5.2948 5.3000 5.3000 7.3959 7.3959 7.4023 7.4023 8.8930 8.8930 8.9003 8.9003 k =-0.4012 0.4538 0.6949 ( 3850 PWs) bands (ev): -34.7048 -34.7048 -34.7048 -34.7048 -15.9668 -15.9668 -15.9657 -15.9657 -15.6152 -15.6152 -15.5981 -15.5981 -15.5683 -15.5683 -15.5522 -15.5522 -0.4664 -0.4664 -0.4644 -0.4644 -0.3962 -0.3962 -0.3852 -0.3852 -0.0903 -0.0903 -0.0768 -0.0768 0.0476 0.0476 0.0527 0.0527 0.1473 0.1473 0.1494 0.1494 2.7338 2.7338 2.7380 2.7380 5.2559 5.2559 5.2606 5.2606 7.4849 7.4849 7.4917 7.4917 8.9592 8.9592 8.9659 8.9659 k =-0.4078 0.4356 0.6949 ( 3850 PWs) bands (ev): -34.7048 -34.7048 -34.7048 -34.7048 -15.9665 -15.9665 -15.9655 -15.9655 -15.6148 -15.6148 -15.5987 -15.5987 -15.5669 -15.5669 -15.5517 -15.5517 -0.4663 -0.4663 -0.4644 -0.4644 -0.3956 -0.3956 -0.3850 -0.3850 -0.0904 -0.0904 -0.0771 -0.0771 0.0472 0.0472 0.0524 0.0524 0.1463 0.1463 0.1485 0.1485 2.7121 2.7121 2.7162 2.7162 5.2191 5.2191 5.2234 5.2234 7.5741 7.5741 7.5813 7.5813 9.0255 9.0255 9.0314 9.0314 k =-0.4144 0.4174 0.6949 ( 3866 PWs) bands (ev): -34.7049 -34.7049 -34.7049 -34.7049 -15.9663 -15.9663 -15.9654 -15.9654 -15.6143 -15.6143 -15.5993 -15.5993 -15.5655 -15.5655 -15.5514 -15.5514 -0.4663 -0.4663 -0.4644 -0.4644 -0.3952 -0.3952 -0.3850 -0.3850 -0.0905 -0.0905 -0.0777 -0.0777 0.0469 0.0469 0.0519 0.0519 0.1454 0.1454 0.1475 0.1475 2.6915 2.6915 2.6954 2.6954 5.1845 5.1845 5.1885 5.1885 7.6631 7.6631 7.6708 7.6708 9.0914 9.0914 9.0960 9.0960 k =-0.4210 0.3992 0.6949 ( 3866 PWs) bands (ev): -34.7050 -34.7050 -34.7050 -34.7050 -15.9661 -15.9661 -15.9652 -15.9652 -15.6138 -15.6138 -15.5998 -15.5998 -15.5642 -15.5642 -15.5511 -15.5511 -0.4662 -0.4662 -0.4645 -0.4645 -0.3946 -0.3946 -0.3850 -0.3850 -0.0904 -0.0904 -0.0781 -0.0781 0.0466 0.0466 0.0515 0.0515 0.1446 0.1446 0.1467 0.1467 2.6721 2.6721 2.6758 2.6758 5.1523 5.1523 5.1559 5.1559 7.7518 7.7518 7.7599 7.7599 9.1550 9.1550 9.1576 9.1576 k =-0.4276 0.3811 0.6949 ( 3862 PWs) bands (ev): -34.7050 -34.7050 -34.7050 -34.7050 -15.9659 -15.9659 -15.9650 -15.9650 -15.6132 -15.6132 -15.6004 -15.6004 -15.5629 -15.5629 -15.5508 -15.5508 -0.4661 -0.4661 -0.4645 -0.4645 -0.3940 -0.3940 -0.3850 -0.3850 -0.0902 -0.0902 -0.0787 -0.0787 0.0464 0.0464 0.0511 0.0511 0.1438 0.1438 0.1459 0.1459 2.6539 2.6539 2.6574 2.6574 5.1224 5.1224 5.1257 5.1257 7.8398 7.8398 7.8482 7.8482 9.2116 9.2116 9.2121 9.2121 k =-0.4342 0.3629 0.6949 ( 3866 PWs) bands (ev): -34.7051 -34.7051 -34.7051 -34.7051 -15.9657 -15.9657 -15.9649 -15.9649 -15.6127 -15.6127 -15.6010 -15.6010 -15.5616 -15.5616 -15.5506 -15.5506 -0.4660 -0.4660 -0.4645 -0.4645 -0.3935 -0.3935 -0.3851 -0.3851 -0.0901 -0.0901 -0.0793 -0.0793 0.0461 0.0461 0.0506 0.0506 0.1432 0.1432 0.1451 0.1451 2.6371 2.6371 2.6403 2.6403 5.0949 5.0949 5.0979 5.0979 7.9268 7.9268 7.9355 7.9355 9.2471 9.2471 9.2508 9.2508 k =-0.4407 0.3447 0.6949 ( 3858 PWs) bands (ev): -34.7051 -34.7051 -34.7051 -34.7051 -15.9654 -15.9654 -15.9647 -15.9647 -15.6121 -15.6121 -15.6015 -15.6015 -15.5604 -15.5604 -15.5505 -15.5505 -0.4659 -0.4659 -0.4645 -0.4645 -0.3929 -0.3929 -0.3852 -0.3852 -0.0898 -0.0898 -0.0798 -0.0798 0.0460 0.0460 0.0502 0.0502 0.1426 0.1426 0.1444 0.1444 2.6217 2.6217 2.6246 2.6246 5.0700 5.0700 5.0726 5.0726 8.0127 8.0127 8.0217 8.0217 9.2494 9.2494 9.2524 9.2524 k =-0.4473 0.3265 0.6949 ( 3866 PWs) bands (ev): -34.7052 -34.7052 -34.7052 -34.7052 -15.9653 -15.9653 -15.9646 -15.9646 -15.6116 -15.6116 -15.6021 -15.6021 -15.5593 -15.5593 -15.5504 -15.5504 -0.4658 -0.4658 -0.4645 -0.4645 -0.3924 -0.3924 -0.3854 -0.3854 -0.0896 -0.0896 -0.0804 -0.0804 0.0458 0.0458 0.0497 0.0497 0.1421 0.1421 0.1437 0.1437 2.6078 2.6078 2.6104 2.6104 5.0476 5.0476 5.0499 5.0499 8.0971 8.0971 8.1063 8.1063 9.2200 9.2200 9.2207 9.2207 k =-0.4539 0.3083 0.6949 ( 3854 PWs) bands (ev): -34.7052 -34.7052 -34.7052 -34.7052 -15.9651 -15.9651 -15.9645 -15.9645 -15.6109 -15.6109 -15.6027 -15.6027 -15.5581 -15.5581 -15.5504 -15.5504 -0.4657 -0.4657 -0.4646 -0.4646 -0.3918 -0.3918 -0.3855 -0.3855 -0.0892 -0.0892 -0.0810 -0.0810 0.0458 0.0458 0.0493 0.0493 0.1417 0.1417 0.1432 0.1432 2.5954 2.5954 2.5977 2.5977 5.0277 5.0277 5.0298 5.0298 8.1798 8.1798 8.1892 8.1892 9.1723 9.1723 9.1759 9.1759 k =-0.4605 0.2901 0.6949 ( 3854 PWs) bands (ev): -34.7053 -34.7053 -34.7053 -34.7053 -15.9649 -15.9649 -15.9644 -15.9644 -15.6104 -15.6104 -15.6032 -15.6032 -15.5571 -15.5571 -15.5504 -15.5504 -0.4656 -0.4656 -0.4646 -0.4646 -0.3912 -0.3912 -0.3858 -0.3858 -0.0888 -0.0888 -0.0817 -0.0817 0.0458 0.0458 0.0488 0.0488 0.1414 0.1414 0.1426 0.1426 2.5845 2.5845 2.5866 2.5866 5.0105 5.0105 5.0122 5.0122 8.2607 8.2607 8.2702 8.2702 9.1182 9.1182 9.1237 9.1237 k =-0.4671 0.2719 0.6949 ( 3854 PWs) bands (ev): -34.7053 -34.7053 -34.7053 -34.7053 -15.9648 -15.9648 -15.9644 -15.9644 -15.6098 -15.6098 -15.6038 -15.6038 -15.5561 -15.5561 -15.5506 -15.5506 -0.4655 -0.4655 -0.4647 -0.4647 -0.3907 -0.3907 -0.3861 -0.3861 -0.0884 -0.0884 -0.0823 -0.0823 0.0458 0.0458 0.0484 0.0484 0.1411 0.1411 0.1422 0.1422 2.5753 2.5753 2.5771 2.5771 4.9959 4.9959 4.9973 4.9973 8.3394 8.3394 8.3489 8.3489 9.0609 9.0609 9.0676 9.0676 k =-0.4737 0.2537 0.6949 ( 3854 PWs) bands (ev): -34.7053 -34.7053 -34.7053 -34.7053 -15.9646 -15.9646 -15.9643 -15.9643 -15.6092 -15.6092 -15.6044 -15.6044 -15.5552 -15.5552 -15.5508 -15.5508 -0.4654 -0.4654 -0.4647 -0.4647 -0.3902 -0.3902 -0.3865 -0.3865 -0.0879 -0.0879 -0.0830 -0.0830 0.0459 0.0459 0.0480 0.0480 0.1409 0.1409 0.1418 0.1418 2.5678 2.5678 2.5692 2.5692 4.9839 4.9839 4.9851 4.9851 8.4154 8.4154 8.4249 8.4249 9.0020 9.0020 9.0095 9.0095 k =-0.4802 0.2355 0.6949 ( 3854 PWs) bands (ev): -34.7053 -34.7053 -34.7053 -34.7053 -15.9645 -15.9645 -15.9643 -15.9643 -15.6086 -15.6086 -15.6050 -15.6050 -15.5544 -15.5544 -15.5511 -15.5511 -0.4653 -0.4653 -0.4648 -0.4648 -0.3896 -0.3896 -0.3868 -0.3868 -0.0874 -0.0874 -0.0837 -0.0837 0.0460 0.0460 0.0476 0.0476 0.1408 0.1408 0.1414 0.1414 2.5620 2.5620 2.5630 2.5630 4.9746 4.9746 4.9755 4.9755 8.4882 8.4882 8.4974 8.4974 8.9426 8.9426 8.9505 8.9505 k =-0.4868 0.2173 0.6949 ( 3856 PWs) bands (ev): -34.7054 -34.7054 -34.7054 -34.7054 -15.9645 -15.9645 -15.9643 -15.9643 -15.6080 -15.6080 -15.6056 -15.6056 -15.5537 -15.5537 -15.5514 -15.5514 -0.4652 -0.4652 -0.4649 -0.4649 -0.3891 -0.3891 -0.3873 -0.3873 -0.0868 -0.0868 -0.0843 -0.0843 0.0462 0.0462 0.0472 0.0472 0.1407 0.1407 0.1412 0.1412 2.5578 2.5578 2.5585 2.5585 4.9680 4.9680 4.9686 4.9686 8.5559 8.5559 8.5644 8.5644 8.8850 8.8850 8.8926 8.8926 k =-0.4934 0.1992 0.6949 ( 3852 PWs) bands (ev): -34.7054 -34.7054 -34.7054 -34.7054 -15.9644 -15.9644 -15.9643 -15.9643 -15.6074 -15.6074 -15.6062 -15.6062 -15.5530 -15.5530 -15.5519 -15.5519 -0.4651 -0.4651 -0.4649 -0.4649 -0.3886 -0.3886 -0.3877 -0.3877 -0.0862 -0.0862 -0.0850 -0.0850 0.0464 0.0464 0.0469 0.0469 0.1407 0.1407 0.1410 0.1410 2.5554 2.5554 2.5557 2.5557 4.9641 4.9641 4.9644 4.9644 8.6132 8.6132 8.6194 8.6194 8.8355 8.8355 8.8413 8.8413 k =-0.5000 0.1810 0.6949 ( 3852 PWs) bands (ev): -34.7054 -34.7054 -34.7054 -34.7054 -15.9643 -15.9643 -15.9643 -15.9643 -15.6068 -15.6068 -15.6068 -15.6068 -15.5524 -15.5524 -15.5524 -15.5524 -0.4650 -0.4650 -0.4650 -0.4650 -0.3881 -0.3881 -0.3881 -0.3881 -0.0856 -0.0856 -0.0856 -0.0856 0.0466 0.0466 0.0466 0.0466 0.1408 0.1408 0.1408 0.1408 2.5547 2.5547 2.5547 2.5547 4.9629 4.9629 4.9629 4.9629 8.6420 8.6420 8.6420 8.6420 8.8147 8.8147 8.8147 8.8147 k =-0.5000 0.1810 0.6949 ( 3852 PWs) bands (ev): -34.7054 -34.7054 -34.7054 -34.7054 -15.9643 -15.9643 -15.9643 -15.9643 -15.6068 -15.6068 -15.6068 -15.6068 -15.5524 -15.5524 -15.5524 -15.5524 -0.4650 -0.4650 -0.4650 -0.4650 -0.3881 -0.3881 -0.3881 -0.3881 -0.0856 -0.0856 -0.0856 -0.0856 0.0466 0.0466 0.0466 0.0466 0.1408 0.1408 0.1408 0.1408 2.5547 2.5547 2.5547 2.5547 4.9629 4.9629 4.9629 4.9629 8.6420 8.6420 8.6420 8.6420 8.8147 8.8147 8.8147 8.8147 k =-0.5000 0.1810 0.6756 ( 3850 PWs) bands (ev): -34.7055 -34.7055 -34.7052 -34.7052 -15.9648 -15.9648 -15.9638 -15.9638 -15.6068 -15.6068 -15.6066 -15.6066 -15.5528 -15.5528 -15.5520 -15.5520 -0.4676 -0.4676 -0.4625 -0.4625 -0.3892 -0.3892 -0.3870 -0.3870 -0.0869 -0.0869 -0.0843 -0.0843 0.0435 0.0435 0.0497 0.0497 0.1350 0.1350 0.1466 0.1466 2.4578 2.4578 2.6532 2.6532 4.8700 4.8700 5.0584 5.0584 8.6204 8.6204 8.6650 8.6650 8.7693 8.7693 8.8598 8.8598 k =-0.5000 0.1810 0.6563 ( 3854 PWs) bands (ev): -34.7056 -34.7056 -34.7051 -34.7051 -15.9652 -15.9652 -15.9633 -15.9633 -15.6069 -15.6069 -15.6064 -15.6064 -15.5532 -15.5532 -15.5517 -15.5517 -0.4702 -0.4702 -0.4601 -0.4601 -0.3902 -0.3902 -0.3859 -0.3859 -0.0881 -0.0881 -0.0829 -0.0829 0.0403 0.0403 0.0526 0.0526 0.1291 0.1291 0.1523 0.1523 2.3627 2.3627 2.7530 2.7530 4.7801 4.7801 5.1559 5.1559 8.6001 8.6001 8.6891 8.6891 8.7242 8.7242 8.9046 8.9046 k =-0.5000 0.1810 0.6370 ( 3862 PWs) bands (ev): -34.7058 -34.7058 -34.7050 -34.7050 -15.9656 -15.9656 -15.9628 -15.9628 -15.6069 -15.6069 -15.6062 -15.6062 -15.5536 -15.5536 -15.5514 -15.5514 -0.4727 -0.4727 -0.4579 -0.4579 -0.3912 -0.3912 -0.3847 -0.3847 -0.0893 -0.0893 -0.0814 -0.0814 0.0371 0.0371 0.0555 0.0555 0.1232 0.1232 0.1579 0.1579 2.2697 2.2697 2.8534 2.8534 4.6937 4.6937 5.2553 5.2553 8.5812 8.5812 8.6765 8.6765 8.7170 8.7170 8.9490 8.9490 k =-0.5000 0.1810 0.6177 ( 3862 PWs) bands (ev): -34.7059 -34.7059 -34.7049 -34.7049 -15.9659 -15.9659 -15.9622 -15.9622 -15.6068 -15.6068 -15.6060 -15.6060 -15.5541 -15.5541 -15.5511 -15.5511 -0.4753 -0.4753 -0.4557 -0.4557 -0.3921 -0.3921 -0.3834 -0.3834 -0.0904 -0.0904 -0.0800 -0.0800 0.0338 0.0338 0.0582 0.0582 0.1173 0.1173 0.1634 0.1634 2.1789 2.1789 2.9539 2.9539 4.6116 4.6116 5.3562 5.3562 8.5636 8.5636 8.6310 8.6310 8.7444 8.7444 8.9931 8.9931 k =-0.5000 0.1810 0.5984 ( 3862 PWs) bands (ev): -34.7061 -34.7061 -34.7047 -34.7047 -15.9662 -15.9662 -15.9616 -15.9616 -15.6067 -15.6067 -15.6056 -15.6056 -15.5546 -15.5546 -15.5508 -15.5508 -0.4777 -0.4777 -0.4538 -0.4538 -0.3930 -0.3930 -0.3821 -0.3821 -0.0915 -0.0915 -0.0785 -0.0785 0.0306 0.0306 0.0608 0.0608 0.1116 0.1116 0.1686 0.1686 2.0905 2.0905 3.0535 3.0535 4.5350 4.5350 5.4582 5.4582 8.5470 8.5470 8.5852 8.5852 8.7738 8.7738 9.0368 9.0368 k =-0.5000 0.1810 0.5791 ( 3856 PWs) bands (ev): -34.7062 -34.7062 -34.7046 -34.7046 -15.9664 -15.9664 -15.9610 -15.9610 -15.6065 -15.6065 -15.6053 -15.6053 -15.5550 -15.5550 -15.5505 -15.5505 -0.4801 -0.4801 -0.4520 -0.4520 -0.3938 -0.3938 -0.3808 -0.3808 -0.0925 -0.0925 -0.0770 -0.0770 0.0274 0.0274 0.0633 0.0633 0.1059 0.1059 0.1737 0.1737 2.0046 2.0046 3.1506 3.1506 4.4652 4.4652 5.5613 5.5613 8.5311 8.5311 8.5398 8.5398 8.8049 8.8049 9.0801 9.0801 k =-0.5000 0.1810 0.5598 ( 3842 PWs) bands (ev): -34.7063 -34.7063 -34.7045 -34.7045 -15.9666 -15.9666 -15.9602 -15.9602 -15.6062 -15.6062 -15.6048 -15.6048 -15.5555 -15.5555 -15.5502 -15.5502 -0.4823 -0.4823 -0.4504 -0.4504 -0.3946 -0.3946 -0.3794 -0.3794 -0.0935 -0.0935 -0.0754 -0.0754 0.0243 0.0243 0.0656 0.0656 0.1004 0.1004 0.1786 0.1786 1.9212 1.9212 3.2431 3.2431 4.4046 4.4046 5.6650 5.6650 8.4932 8.4932 8.5175 8.5175 8.8377 8.8377 9.1231 9.1231 k =-0.5000 0.1810 0.5405 ( 3842 PWs) bands (ev): -34.7065 -34.7065 -34.7044 -34.7044 -15.9668 -15.9668 -15.9595 -15.9595 -15.6059 -15.6059 -15.6044 -15.6044 -15.5561 -15.5561 -15.5500 -15.5500 -0.4843 -0.4843 -0.4491 -0.4491 -0.3954 -0.3954 -0.3780 -0.3780 -0.0944 -0.0944 -0.0739 -0.0739 0.0213 0.0213 0.0678 0.0678 0.0951 0.0951 0.1831 0.1831 1.8405 1.8405 3.3277 3.3277 4.3565 4.3565 5.7692 5.7692 8.4480 8.4480 8.5037 8.5037 8.8722 8.8722 9.1658 9.1658 k =-0.5000 0.1810 0.5212 ( 3840 PWs) bands (ev): -34.7066 -34.7066 -34.7043 -34.7043 -15.9669 -15.9669 -15.9588 -15.9588 -15.6056 -15.6056 -15.6039 -15.6039 -15.5566 -15.5566 -15.5498 -15.5498 -0.4862 -0.4862 -0.4481 -0.4481 -0.3961 -0.3961 -0.3767 -0.3767 -0.0953 -0.0953 -0.0725 -0.0725 0.0184 0.0184 0.0697 0.0697 0.0900 0.0900 0.1874 0.1874 1.7626 1.7626 3.4000 3.4000 4.3253 4.3253 5.8734 5.8734 8.4032 8.4032 8.4907 8.4907 8.9083 8.9083 9.2082 9.2082 k =-0.5000 0.1810 0.5019 ( 3844 PWs) bands (ev): -34.7068 -34.7068 -34.7042 -34.7042 -15.9670 -15.9670 -15.9581 -15.9581 -15.6052 -15.6052 -15.6034 -15.6034 -15.5572 -15.5572 -15.5496 -15.5496 -0.4880 -0.4880 -0.4473 -0.4473 -0.3968 -0.3968 -0.3754 -0.3754 -0.0963 -0.0963 -0.0711 -0.0711 0.0157 0.0157 0.0713 0.0713 0.0853 0.0853 0.1913 0.1913 1.6874 1.6874 3.4547 3.4547 4.3164 4.3164 5.9775 5.9775 8.3590 8.3590 8.4782 8.4782 8.9459 8.9459 9.2503 9.2503 k =-0.5000 0.1810 0.4826 ( 3850 PWs) bands (ev): -34.7069 -34.7069 -34.7041 -34.7041 -15.9671 -15.9671 -15.9574 -15.9574 -15.6048 -15.6048 -15.6029 -15.6029 -15.5578 -15.5578 -15.5494 -15.5494 -0.4895 -0.4895 -0.4468 -0.4468 -0.3975 -0.3975 -0.3742 -0.3742 -0.0973 -0.0973 -0.0698 -0.0698 0.0134 0.0134 0.0722 0.0722 0.0812 0.0812 0.1949 0.1949 1.6151 1.6151 3.4872 3.4872 4.3343 4.3343 6.0810 6.0810 8.3154 8.3154 8.4663 8.4663 8.9851 8.9851 9.2921 9.2921 k =-0.5000 0.1810 0.4633 ( 3848 PWs) bands (ev): -34.7071 -34.7071 -34.7040 -34.7040 -15.9672 -15.9672 -15.9566 -15.9566 -15.6043 -15.6043 -15.6023 -15.6023 -15.5584 -15.5584 -15.5493 -15.5493 -0.4908 -0.4908 -0.4465 -0.4465 -0.3981 -0.3981 -0.3731 -0.3731 -0.0983 -0.0983 -0.0686 -0.0686 0.0113 0.0113 0.0715 0.0715 0.0790 0.0790 0.1981 0.1981 1.5457 1.5457 3.4965 3.4965 4.3802 4.3802 6.1838 6.1838 8.2728 8.2728 8.4547 8.4547 9.0259 9.0259 9.3336 9.3336 k =-0.5000 0.1810 0.4440 ( 3848 PWs) bands (ev): -34.7072 -34.7072 -34.7040 -34.7040 -15.9672 -15.9672 -15.9558 -15.9558 -15.6037 -15.6037 -15.6017 -15.6017 -15.5591 -15.5591 -15.5491 -15.5491 -0.4919 -0.4919 -0.4464 -0.4464 -0.3987 -0.3987 -0.3721 -0.3721 -0.0994 -0.0994 -0.0676 -0.0676 0.0095 0.0095 0.0687 0.0687 0.0789 0.0789 0.2010 0.2010 1.4793 1.4793 3.4855 3.4855 4.4510 4.4510 6.2854 6.2854 8.2311 8.2311 8.4433 8.4433 9.0681 9.0681 9.3748 9.3748 k =-0.5000 0.1810 0.4247 ( 3838 PWs) bands (ev): -34.7074 -34.7074 -34.7039 -34.7039 -15.9672 -15.9672 -15.9550 -15.9550 -15.6031 -15.6031 -15.6011 -15.6011 -15.5597 -15.5597 -15.5490 -15.5490 -0.4927 -0.4927 -0.4466 -0.4466 -0.3992 -0.3992 -0.3712 -0.3712 -0.1005 -0.1005 -0.0666 -0.0666 0.0082 0.0082 0.0651 0.0651 0.0798 0.0798 0.2034 0.2034 1.4158 1.4158 3.4595 3.4595 4.5415 4.5415 6.3854 6.3854 8.1906 8.1906 8.4321 8.4321 9.1117 9.1117 9.4157 9.4157 k =-0.5000 0.1810 0.4054 ( 3830 PWs) bands (ev): -34.7075 -34.7075 -34.7038 -34.7038 -15.9671 -15.9671 -15.9542 -15.9542 -15.6025 -15.6025 -15.6005 -15.6005 -15.5604 -15.5604 -15.5489 -15.5489 -0.4932 -0.4932 -0.4469 -0.4469 -0.3997 -0.3997 -0.3706 -0.3706 -0.1017 -0.1017 -0.0659 -0.0659 0.0073 0.0073 0.0616 0.0616 0.0808 0.0808 0.2053 0.2053 1.3554 1.3554 3.4237 3.4237 4.6466 4.6466 6.4835 6.4835 8.1513 8.1513 8.4210 8.4210 9.1565 9.1565 9.4559 9.4559 k =-0.5000 0.1810 0.3861 ( 3838 PWs) bands (ev): -34.7076 -34.7076 -34.7037 -34.7037 -15.9671 -15.9671 -15.9534 -15.9534 -15.6018 -15.6018 -15.5998 -15.5998 -15.5611 -15.5611 -15.5488 -15.5488 -0.4936 -0.4936 -0.4475 -0.4475 -0.4003 -0.4003 -0.3702 -0.3702 -0.1030 -0.1030 -0.0654 -0.0654 0.0068 0.0068 0.0582 0.0582 0.0818 0.0818 0.2068 0.2068 1.2981 1.2981 3.3819 3.3819 4.7622 4.7622 6.5793 6.5793 8.1133 8.1133 8.4099 8.4099 9.2026 9.2026 9.4954 9.4954 k =-0.5000 0.1810 0.3668 ( 3838 PWs) bands (ev): -34.7078 -34.7078 -34.7037 -34.7037 -15.9671 -15.9671 -15.9526 -15.9526 -15.6012 -15.6012 -15.5992 -15.5992 -15.5618 -15.5618 -15.5487 -15.5487 -0.4937 -0.4937 -0.4482 -0.4482 -0.4008 -0.4008 -0.3700 -0.3700 -0.1043 -0.1043 -0.0651 -0.0651 0.0067 0.0067 0.0550 0.0550 0.0828 0.0828 0.2078 0.2078 1.2438 1.2438 3.3370 3.3370 4.8857 4.8857 6.6723 6.6723 8.0769 8.0769 8.3988 8.3988 9.2497 9.2497 9.5336 9.5336 k =-0.5000 0.1810 0.3475 ( 3826 PWs) bands (ev): -34.7079 -34.7079 -34.7036 -34.7036 -15.9670 -15.9670 -15.9518 -15.9518 -15.6005 -15.6005 -15.5984 -15.5984 -15.5625 -15.5625 -15.5486 -15.5486 -0.4934 -0.4934 -0.4489 -0.4489 -0.4013 -0.4013 -0.3701 -0.3701 -0.1056 -0.1056 -0.0650 -0.0650 0.0071 0.0071 0.0522 0.0522 0.0837 0.0837 0.2083 0.2083 1.1926 1.1926 3.2907 3.2907 5.0151 5.0151 6.7620 6.7620 8.0421 8.0421 8.3877 8.3877 9.2977 9.2977 9.5686 9.5722 k =-0.5000 0.1810 0.3281 ( 3830 PWs) bands (ev): -34.7080 -34.7080 -34.7036 -34.7036 -15.9669 -15.9669 -15.9511 -15.9511 -15.5998 -15.5998 -15.5977 -15.5977 -15.5633 -15.5633 -15.5485 -15.5485 -0.4931 -0.4931 -0.4498 -0.4498 -0.4018 -0.4018 -0.3705 -0.3705 -0.1069 -0.1069 -0.0652 -0.0652 0.0078 0.0078 0.0495 0.0495 0.0846 0.0846 0.2083 0.2083 1.1446 1.1446 3.2444 3.2444 5.1492 5.1492 6.8481 6.8481 8.0090 8.0090 8.3766 8.3766 9.3465 9.3465 9.5838 9.5839 k =-0.5000 0.1810 0.3088 ( 3840 PWs) bands (ev): -34.7081 -34.7081 -34.7035 -34.7035 -15.9668 -15.9668 -15.9504 -15.9504 -15.5992 -15.5992 -15.5969 -15.5969 -15.5641 -15.5641 -15.5485 -15.5485 -0.4925 -0.4925 -0.4507 -0.4507 -0.4023 -0.4023 -0.3712 -0.3712 -0.1082 -0.1082 -0.0656 -0.0656 0.0088 0.0088 0.0472 0.0472 0.0854 0.0854 0.2077 0.2077 1.0996 1.0996 3.1987 3.1987 5.2870 5.2870 6.9301 6.9301 7.9778 7.9778 8.3656 8.3656 9.3959 9.3959 9.5831 9.5834 k =-0.5000 0.1810 0.2895 ( 3836 PWs) bands (ev): -34.7082 -34.7082 -34.7035 -34.7035 -15.9667 -15.9667 -15.9497 -15.9497 -15.5986 -15.5986 -15.5961 -15.5961 -15.5649 -15.5649 -15.5484 -15.5484 -0.4918 -0.4918 -0.4516 -0.4516 -0.4028 -0.4028 -0.3722 -0.3722 -0.1094 -0.1094 -0.0662 -0.0662 0.0101 0.0101 0.0453 0.0453 0.0862 0.0862 0.2067 0.2067 1.0578 1.0578 3.1545 3.1545 5.4278 5.4278 7.0076 7.0076 7.9486 7.9486 8.3547 8.3547 9.4455 9.4455 9.5603 9.5603 k =-0.5000 0.1810 0.2702 ( 3832 PWs) bands (ev): -34.7084 -34.7084 -34.7034 -34.7034 -15.9666 -15.9666 -15.9490 -15.9490 -15.5979 -15.5979 -15.5952 -15.5952 -15.5658 -15.5658 -15.5484 -15.5484 -0.4909 -0.4909 -0.4524 -0.4524 -0.4033 -0.4033 -0.3735 -0.3735 -0.1105 -0.1105 -0.0671 -0.0671 0.0117 0.0117 0.0436 0.0436 0.0870 0.0870 0.2052 0.2052 1.0191 1.0191 3.1120 3.1120 5.5711 5.5711 7.0800 7.0800 7.9216 7.9216 8.3440 8.3440 9.4941 9.4941 9.5332 9.5333 k =-0.5000 0.1810 0.2509 ( 3842 PWs) bands (ev): -34.7085 -34.7085 -34.7034 -34.7034 -15.9665 -15.9665 -15.9484 -15.9484 -15.5974 -15.5974 -15.5943 -15.5943 -15.5666 -15.5666 -15.5484 -15.5484 -0.4900 -0.4900 -0.4530 -0.4530 -0.4038 -0.4038 -0.3752 -0.3752 -0.1115 -0.1115 -0.0682 -0.0682 0.0134 0.0134 0.0423 0.0423 0.0878 0.0878 0.2031 0.2031 0.9835 0.9835 3.0716 3.0716 5.7165 5.7165 7.1471 7.1471 7.8968 7.8968 8.3335 8.3335 9.4483 9.4483 9.5215 9.5215 k =-0.5000 0.1810 0.2316 ( 3846 PWs) bands (ev): -34.7086 -34.7086 -34.7033 -34.7033 -15.9664 -15.9664 -15.9478 -15.9478 -15.5969 -15.5969 -15.5933 -15.5933 -15.5675 -15.5675 -15.5483 -15.5483 -0.4890 -0.4890 -0.4535 -0.4535 -0.4043 -0.4043 -0.3771 -0.3771 -0.1123 -0.1123 -0.0694 -0.0694 0.0151 0.0151 0.0412 0.0412 0.0887 0.0887 0.2006 0.2006 0.9510 0.9510 3.0336 3.0336 5.8635 5.8635 7.2083 7.2083 7.8744 7.8744 8.3234 8.3234 9.3548 9.3548 9.5067 9.5067 k =-0.5000 0.1810 0.2123 ( 3844 PWs) bands (ev): -34.7087 -34.7087 -34.7033 -34.7033 -15.9663 -15.9663 -15.9472 -15.9472 -15.5964 -15.5964 -15.5923 -15.5923 -15.5684 -15.5684 -15.5483 -15.5483 -0.4881 -0.4881 -0.4535 -0.4535 -0.4048 -0.4048 -0.3793 -0.3793 -0.1130 -0.1130 -0.0708 -0.0708 0.0170 0.0170 0.0404 0.0404 0.0897 0.0897 0.1976 0.1976 0.9214 0.9214 2.9982 2.9982 6.0118 6.0118 7.2635 7.2635 7.8547 7.8547 8.3137 8.3137 9.2545 9.2545 9.4945 9.4945 k =-0.5000 0.1810 0.1930 ( 3854 PWs) bands (ev): -34.7088 -34.7088 -34.7033 -34.7033 -15.9662 -15.9662 -15.9467 -15.9467 -15.5960 -15.5960 -15.5913 -15.5913 -15.5694 -15.5694 -15.5483 -15.5483 -0.4873 -0.4873 -0.4532 -0.4532 -0.4054 -0.4054 -0.3817 -0.3817 -0.1135 -0.1135 -0.0724 -0.0724 0.0187 0.0187 0.0399 0.0399 0.0907 0.0907 0.1943 0.1943 0.8948 0.8948 2.9654 2.9654 6.1608 6.1608 7.3124 7.3124 7.8376 7.8376 8.3045 8.3045 9.1485 9.1485 9.4851 9.4851 k =-0.5000 0.1810 0.1737 ( 3850 PWs) bands (ev): -34.7088 -34.7088 -34.7033 -34.7033 -15.9661 -15.9661 -15.9462 -15.9462 -15.5956 -15.5956 -15.5902 -15.5902 -15.5703 -15.5703 -15.5483 -15.5483 -0.4866 -0.4866 -0.4524 -0.4524 -0.4061 -0.4061 -0.3843 -0.3843 -0.1138 -0.1138 -0.0740 -0.0740 0.0204 0.0204 0.0396 0.0396 0.0920 0.0920 0.1907 0.1907 0.8711 0.8711 2.9355 2.9355 6.3103 6.3103 7.3549 7.3549 7.8233 7.8233 8.2959 8.2959 9.0377 9.0377 9.4782 9.4782 k =-0.5000 0.1810 0.1544 ( 3846 PWs) bands (ev): -34.7089 -34.7089 -34.7032 -34.7032 -15.9660 -15.9660 -15.9457 -15.9457 -15.5952 -15.5952 -15.5891 -15.5891 -15.5713 -15.5713 -15.5482 -15.5482 -0.4862 -0.4862 -0.4511 -0.4511 -0.4069 -0.4069 -0.3870 -0.3870 -0.1139 -0.1139 -0.0756 -0.0756 0.0219 0.0219 0.0395 0.0395 0.0934 0.0934 0.1870 0.1870 0.8501 0.8501 2.9085 2.9085 6.4596 6.4596 7.3910 7.3910 7.8119 7.8119 8.2880 8.2880 8.9225 8.9225 9.4736 9.4736 k =-0.5000 0.1810 0.1351 ( 3846 PWs) bands (ev): -34.7090 -34.7090 -34.7032 -34.7032 -15.9659 -15.9659 -15.9453 -15.9453 -15.5949 -15.5949 -15.5880 -15.5880 -15.5723 -15.5723 -15.5482 -15.5482 -0.4859 -0.4859 -0.4493 -0.4493 -0.4079 -0.4079 -0.3897 -0.3897 -0.1138 -0.1138 -0.0774 -0.0774 0.0233 0.0233 0.0396 0.0396 0.0949 0.0949 0.1831 0.1831 0.8319 0.8319 2.8846 2.8846 6.6080 6.6080 7.4208 7.4208 7.8032 7.8032 8.2808 8.2808 8.8037 8.8037 9.4707 9.4707 k =-0.5000 0.1810 0.1158 ( 3850 PWs) bands (ev): -34.7090 -34.7090 -34.7032 -34.7032 -15.9658 -15.9658 -15.9450 -15.9450 -15.5946 -15.5946 -15.5869 -15.5869 -15.5733 -15.5733 -15.5482 -15.5482 -0.4859 -0.4859 -0.4470 -0.4470 -0.4092 -0.4092 -0.3923 -0.3923 -0.1137 -0.1137 -0.0791 -0.0791 0.0244 0.0244 0.0397 0.0397 0.0965 0.0965 0.1792 0.1792 0.8164 0.8164 2.8637 2.8637 6.7547 6.7547 7.4447 7.4447 7.7971 7.7971 8.2744 8.2744 8.6824 8.6824 9.4694 9.4694 k =-0.5000 0.1810 0.0965 ( 3846 PWs) bands (ev): -34.7091 -34.7091 -34.7032 -34.7032 -15.9657 -15.9657 -15.9447 -15.9447 -15.5944 -15.5944 -15.5858 -15.5858 -15.5743 -15.5743 -15.5482 -15.5482 -0.4859 -0.4859 -0.4443 -0.4443 -0.4110 -0.4110 -0.3946 -0.3946 -0.1133 -0.1133 -0.0806 -0.0806 0.0255 0.0255 0.0399 0.0399 0.0983 0.0983 0.1754 0.1754 0.8034 0.8034 2.8459 2.8459 6.8983 6.8983 7.4632 7.4632 7.7933 7.7933 8.2689 8.2689 8.5600 8.5600 9.4692 9.4692 k =-0.5000 0.1810 0.0772 ( 3838 PWs) bands (ev): -34.7091 -34.7091 -34.7032 -34.7032 -15.9656 -15.9656 -15.9444 -15.9444 -15.5941 -15.5941 -15.5847 -15.5847 -15.5753 -15.5753 -15.5482 -15.5482 -0.4860 -0.4860 -0.4412 -0.4412 -0.4132 -0.4132 -0.3963 -0.3963 -0.1130 -0.1130 -0.0821 -0.0821 0.0263 0.0263 0.0401 0.0401 0.0999 0.0999 0.1720 0.1720 0.7929 0.7929 2.8313 2.8313 7.0364 7.0364 7.4771 7.4771 7.7912 7.7912 8.2643 8.2643 8.4390 8.4390 9.4696 9.4696 k =-0.5000 0.1810 0.0579 ( 3848 PWs) bands (ev): -34.7091 -34.7091 -34.7031 -34.7031 -15.9656 -15.9656 -15.9443 -15.9443 -15.5940 -15.5940 -15.5836 -15.5836 -15.5763 -15.5763 -15.5482 -15.5482 -0.4862 -0.4862 -0.4380 -0.4380 -0.4160 -0.4160 -0.3976 -0.3976 -0.1126 -0.1126 -0.0833 -0.0833 0.0269 0.0269 0.0402 0.0402 0.1014 0.1014 0.1691 0.1691 0.7848 0.7848 2.8199 2.8199 7.1652 7.1652 7.4871 7.4871 7.7902 7.7902 8.2603 8.2603 8.3235 8.3235 9.4703 9.4703 k =-0.5000 0.1810 0.0386 ( 3840 PWs) bands (ev): -34.7092 -34.7092 -34.7031 -34.7031 -15.9655 -15.9655 -15.9441 -15.9441 -15.5938 -15.5938 -15.5825 -15.5825 -15.5773 -15.5773 -15.5482 -15.5482 -0.4863 -0.4863 -0.4345 -0.4345 -0.4191 -0.4191 -0.3985 -0.3985 -0.1123 -0.1123 -0.0843 -0.0843 0.0274 0.0274 0.0403 0.0403 0.1027 0.1027 0.1668 0.1668 0.7790 0.7790 2.8118 2.8118 7.2770 7.2770 7.4941 7.4941 7.7901 7.7901 8.2187 8.2187 8.2593 8.2593 9.4711 9.4711 k =-0.5000 0.1810 0.0193 ( 3838 PWs) bands (ev): -34.7092 -34.7092 -34.7031 -34.7031 -15.9655 -15.9655 -15.9440 -15.9440 -15.5938 -15.5938 -15.5817 -15.5817 -15.5781 -15.5781 -15.5482 -15.5482 -0.4864 -0.4864 -0.4311 -0.4311 -0.4224 -0.4224 -0.3990 -0.3990 -0.1120 -0.1120 -0.0848 -0.0848 0.0277 0.0277 0.0404 0.0404 0.1035 0.1035 0.1653 0.1653 0.7756 0.7756 2.8069 2.8069 7.3579 7.3579 7.4989 7.4989 7.7901 7.7901 8.1428 8.1428 8.2571 8.2571 9.4717 9.4717 k =-0.5000 0.1810 0.0000 ( 3836 PWs) bands (ev): -34.7092 -34.7092 -34.7031 -34.7031 -15.9655 -15.9655 -15.9440 -15.9440 -15.5937 -15.5937 -15.5813 -15.5813 -15.5785 -15.5785 -15.5482 -15.5482 -0.4864 -0.4864 -0.4289 -0.4289 -0.4244 -0.4244 -0.3991 -0.3991 -0.1119 -0.1119 -0.0850 -0.0850 0.0278 0.0278 0.0404 0.0404 0.1038 0.1038 0.1648 0.1648 0.7745 0.7745 2.8053 2.8053 7.3883 7.3883 7.5010 7.5010 7.7901 7.7901 8.1135 8.1135 8.2565 8.2565 9.4719 9.4719 k = 0.0000 0.0000 0.6949 ( 3842 PWs) bands (ev): -34.7054 -34.7054 -34.7054 -34.7054 -15.9607 -15.9607 -15.9607 -15.9607 -15.5960 -15.5960 -15.5960 -15.5960 -15.5661 -15.5661 -15.5661 -15.5661 -0.4669 -0.4669 -0.4669 -0.4669 -0.3858 -0.3858 -0.3858 -0.3858 -0.0859 -0.0859 -0.0859 -0.0859 0.0495 0.0495 0.0495 0.0495 0.1385 0.1385 0.1385 0.1385 2.1929 2.1929 2.1929 2.1929 6.6584 6.6584 6.6584 6.6584 7.2290 7.2290 7.2290 7.2290 8.1947 8.1947 8.1947 8.1947 k =-0.0179 0.0065 0.6949 ( 3846 PWs) bands (ev): -34.7054 -34.7054 -34.7054 -34.7054 -15.9607 -15.9607 -15.9607 -15.9607 -15.5961 -15.5961 -15.5961 -15.5961 -15.5661 -15.5661 -15.5661 -15.5661 -0.4669 -0.4669 -0.4669 -0.4669 -0.3858 -0.3858 -0.3858 -0.3858 -0.0859 -0.0859 -0.0859 -0.0859 0.0495 0.0495 0.0495 0.0495 0.1385 0.1385 0.1385 0.1385 2.1938 2.1938 2.1938 2.1938 6.6412 6.6412 6.6412 6.6412 7.2459 7.2459 7.2459 7.2459 8.1958 8.1958 8.1958 8.1958 k =-0.0357 0.0129 0.6949 ( 3846 PWs) bands (ev): -34.7054 -34.7054 -34.7054 -34.7054 -15.9607 -15.9607 -15.9607 -15.9607 -15.5963 -15.5963 -15.5963 -15.5963 -15.5659 -15.5659 -15.5659 -15.5659 -0.4668 -0.4668 -0.4668 -0.4668 -0.3858 -0.3858 -0.3858 -0.3858 -0.0859 -0.0859 -0.0859 -0.0859 0.0495 0.0495 0.0495 0.0495 0.1385 0.1385 0.1385 0.1385 2.1965 2.1965 2.1965 2.1965 6.5946 6.5946 6.5946 6.5946 7.2914 7.2914 7.2914 7.2914 8.1988 8.1988 8.1988 8.1988 k =-0.0536 0.0194 0.6949 ( 3846 PWs) bands (ev): -34.7054 -34.7054 -34.7054 -34.7054 -15.9608 -15.9608 -15.9608 -15.9608 -15.5965 -15.5965 -15.5965 -15.5965 -15.5656 -15.5656 -15.5656 -15.5656 -0.4668 -0.4668 -0.4668 -0.4668 -0.3858 -0.3858 -0.3858 -0.3858 -0.0859 -0.0859 -0.0859 -0.0859 0.0494 0.0494 0.0494 0.0494 0.1385 0.1385 0.1385 0.1385 2.2010 2.2010 2.2010 2.2010 6.5286 6.5286 6.5286 6.5286 7.3556 7.3556 7.3556 7.3556 8.2039 8.2039 8.2039 8.2039 k =-0.0714 0.0259 0.6949 ( 3846 PWs) bands (ev): -34.7054 -34.7054 -34.7054 -34.7054 -15.9609 -15.9609 -15.9609 -15.9609 -15.5968 -15.5968 -15.5968 -15.5968 -15.5652 -15.5652 -15.5652 -15.5652 -0.4668 -0.4668 -0.4668 -0.4668 -0.3859 -0.3859 -0.3859 -0.3859 -0.0859 -0.0859 -0.0859 -0.0859 0.0493 0.0493 0.0493 0.0493 0.1386 0.1386 0.1386 0.1386 2.2073 2.2073 2.2073 2.2073 6.4513 6.4513 6.4513 6.4513 7.4306 7.4306 7.4306 7.4306 8.2109 8.2109 8.2109 8.2109 k =-0.0893 0.0323 0.6949 ( 3848 PWs) bands (ev): -34.7054 -34.7054 -34.7054 -34.7054 -15.9610 -15.9610 -15.9610 -15.9610 -15.5972 -15.5972 -15.5972 -15.5972 -15.5648 -15.5648 -15.5648 -15.5648 -0.4667 -0.4667 -0.4667 -0.4667 -0.3860 -0.3860 -0.3860 -0.3860 -0.0859 -0.0859 -0.0859 -0.0859 0.0493 0.0493 0.0493 0.0493 0.1387 0.1387 0.1387 0.1387 2.2153 2.2153 2.2153 2.2153 6.3675 6.3675 6.3675 6.3675 7.5112 7.5112 7.5112 7.5112 8.2200 8.2200 8.2200 8.2200 k =-0.1071 0.0388 0.6949 ( 3842 PWs) bands (ev): -34.7054 -34.7054 -34.7054 -34.7054 -15.9611 -15.9611 -15.9611 -15.9611 -15.5977 -15.5977 -15.5977 -15.5977 -15.5642 -15.5642 -15.5642 -15.5642 -0.4667 -0.4667 -0.4667 -0.4667 -0.3860 -0.3860 -0.3860 -0.3860 -0.0859 -0.0859 -0.0859 -0.0859 0.0492 0.0492 0.0492 0.0492 0.1388 0.1388 0.1388 0.1388 2.2250 2.2250 2.2250 2.2250 6.2803 6.2803 6.2803 6.2803 7.5947 7.5947 7.5947 7.5947 8.2309 8.2309 8.2309 8.2309 k =-0.1250 0.0452 0.6949 ( 3838 PWs) bands (ev): -34.7054 -34.7054 -34.7054 -34.7054 -15.9612 -15.9612 -15.9612 -15.9612 -15.5982 -15.5982 -15.5982 -15.5982 -15.5635 -15.5635 -15.5635 -15.5635 -0.4666 -0.4666 -0.4666 -0.4666 -0.3861 -0.3861 -0.3861 -0.3861 -0.0858 -0.0858 -0.0858 -0.0858 0.0491 0.0491 0.0491 0.0491 0.1389 0.1389 0.1389 0.1389 2.2363 2.2363 2.2363 2.2363 6.1914 6.1914 6.1914 6.1914 7.6792 7.6792 7.6792 7.6792 8.2437 8.2437 8.2437 8.2437 k =-0.1429 0.0517 0.6949 ( 3834 PWs) bands (ev): -34.7054 -34.7054 -34.7054 -34.7054 -15.9613 -15.9613 -15.9613 -15.9613 -15.5987 -15.5987 -15.5987 -15.5987 -15.5628 -15.5628 -15.5628 -15.5628 -0.4665 -0.4665 -0.4665 -0.4665 -0.3862 -0.3862 -0.3862 -0.3862 -0.0858 -0.0858 -0.0858 -0.0858 0.0490 0.0490 0.0490 0.0490 0.1390 0.1390 0.1390 0.1390 2.2491 2.2491 2.2491 2.2491 6.1019 6.1019 6.1019 6.1019 7.7637 7.7637 7.7637 7.7637 8.2584 8.2584 8.2584 8.2584 k =-0.1607 0.0582 0.6949 ( 3834 PWs) bands (ev): -34.7054 -34.7054 -34.7054 -34.7054 -15.9615 -15.9615 -15.9615 -15.9615 -15.5993 -15.5993 -15.5993 -15.5993 -15.5621 -15.5621 -15.5621 -15.5621 -0.4664 -0.4664 -0.4664 -0.4664 -0.3863 -0.3863 -0.3863 -0.3863 -0.0858 -0.0858 -0.0858 -0.0858 0.0489 0.0489 0.0489 0.0489 0.1391 0.1391 0.1391 0.1391 2.2634 2.2634 2.2634 2.2634 6.0128 6.0128 6.0128 6.0128 7.8473 7.8473 7.8473 7.8473 8.2748 8.2748 8.2748 8.2748 k =-0.1786 0.0646 0.6949 ( 3836 PWs) bands (ev): -34.7054 -34.7054 -34.7054 -34.7054 -15.9617 -15.9617 -15.9617 -15.9617 -15.5999 -15.5999 -15.5999 -15.5999 -15.5614 -15.5614 -15.5614 -15.5614 -0.4663 -0.4663 -0.4663 -0.4663 -0.3864 -0.3864 -0.3864 -0.3864 -0.0858 -0.0858 -0.0858 -0.0858 0.0487 0.0487 0.0487 0.0487 0.1392 0.1392 0.1392 0.1392 2.2790 2.2790 2.2790 2.2790 5.9245 5.9245 5.9245 5.9245 7.9296 7.9296 7.9296 7.9296 8.2928 8.2928 8.2928 8.2928 k =-0.1964 0.0711 0.6949 ( 3840 PWs) bands (ev): -34.7054 -34.7054 -34.7054 -34.7054 -15.9619 -15.9619 -15.9619 -15.9619 -15.6005 -15.6005 -15.6005 -15.6005 -15.5606 -15.5606 -15.5606 -15.5606 -0.4662 -0.4662 -0.4662 -0.4662 -0.3865 -0.3865 -0.3865 -0.3865 -0.0858 -0.0858 -0.0858 -0.0858 0.0486 0.0486 0.0486 0.0486 0.1393 0.1393 0.1393 0.1393 2.2958 2.2958 2.2958 2.2958 5.8377 5.8377 5.8377 5.8377 8.0099 8.0099 8.0099 8.0099 8.3123 8.3123 8.3123 8.3123 k =-0.2143 0.0776 0.6949 ( 3844 PWs) bands (ev): -34.7054 -34.7054 -34.7054 -34.7054 -15.9621 -15.9621 -15.9621 -15.9621 -15.6011 -15.6011 -15.6011 -15.6011 -15.5599 -15.5599 -15.5599 -15.5599 -0.4661 -0.4661 -0.4661 -0.4661 -0.3867 -0.3867 -0.3867 -0.3867 -0.0858 -0.0858 -0.0858 -0.0858 0.0484 0.0484 0.0484 0.0484 0.1394 0.1394 0.1394 0.1394 2.3137 2.3137 2.3137 2.3137 5.7528 5.7528 5.7528 5.7528 8.0881 8.0881 8.0881 8.0881 8.3333 8.3333 8.3333 8.3333 k =-0.2321 0.0840 0.6949 ( 3848 PWs) bands (ev): -34.7054 -34.7054 -34.7054 -34.7054 -15.9623 -15.9623 -15.9623 -15.9623 -15.6017 -15.6017 -15.6017 -15.6017 -15.5591 -15.5591 -15.5591 -15.5591 -0.4660 -0.4660 -0.4660 -0.4660 -0.3868 -0.3868 -0.3868 -0.3868 -0.0858 -0.0858 -0.0858 -0.0858 0.0482 0.0482 0.0482 0.0482 0.1396 0.1396 0.1396 0.1396 2.3325 2.3325 2.3325 2.3325 5.6701 5.6701 5.6701 5.6701 8.1637 8.1637 8.1637 8.1637 8.3556 8.3556 8.3556 8.3556 k =-0.2500 0.0905 0.6949 ( 3842 PWs) bands (ev): -34.7054 -34.7054 -34.7054 -34.7054 -15.9625 -15.9625 -15.9625 -15.9625 -15.6023 -15.6023 -15.6023 -15.6023 -15.5583 -15.5583 -15.5583 -15.5583 -0.4659 -0.4659 -0.4659 -0.4659 -0.3869 -0.3869 -0.3869 -0.3869 -0.0857 -0.0857 -0.0857 -0.0857 0.0481 0.0481 0.0481 0.0481 0.1397 0.1397 0.1397 0.1397 2.3521 2.3521 2.3521 2.3521 5.5902 5.5902 5.5902 5.5902 8.2365 8.2365 8.2365 8.2365 8.3791 8.3791 8.3791 8.3791 k =-0.2679 0.0969 0.6949 ( 3842 PWs) bands (ev): -34.7054 -34.7054 -34.7054 -34.7054 -15.9627 -15.9627 -15.9627 -15.9627 -15.6028 -15.6028 -15.6028 -15.6028 -15.5576 -15.5576 -15.5576 -15.5576 -0.4658 -0.4658 -0.4658 -0.4658 -0.3871 -0.3871 -0.3871 -0.3871 -0.0857 -0.0857 -0.0857 -0.0857 0.0479 0.0479 0.0479 0.0479 0.1399 0.1399 0.1399 0.1399 2.3721 2.3721 2.3721 2.3721 5.5133 5.5133 5.5133 5.5133 8.3062 8.3062 8.3062 8.3062 8.4036 8.4036 8.4036 8.4036 k =-0.2857 0.1034 0.6949 ( 3844 PWs) bands (ev): -34.7054 -34.7054 -34.7054 -34.7054 -15.9629 -15.9629 -15.9629 -15.9629 -15.6034 -15.6034 -15.6034 -15.6034 -15.5569 -15.5569 -15.5569 -15.5569 -0.4657 -0.4657 -0.4657 -0.4657 -0.3872 -0.3872 -0.3872 -0.3872 -0.0857 -0.0857 -0.0857 -0.0857 0.0478 0.0478 0.0478 0.0478 0.1400 0.1400 0.1400 0.1400 2.3925 2.3925 2.3925 2.3925 5.4398 5.4398 5.4398 5.4398 8.3722 8.3722 8.3722 8.3722 8.4292 8.4292 8.4292 8.4292 k =-0.3036 0.1099 0.6949 ( 3836 PWs) bands (ev): -34.7054 -34.7054 -34.7054 -34.7054 -15.9631 -15.9631 -15.9631 -15.9631 -15.6039 -15.6039 -15.6039 -15.6039 -15.5562 -15.5562 -15.5562 -15.5562 -0.4656 -0.4656 -0.4656 -0.4656 -0.3873 -0.3873 -0.3873 -0.3873 -0.0857 -0.0857 -0.0857 -0.0857 0.0476 0.0476 0.0476 0.0476 0.1401 0.1401 0.1401 0.1401 2.4128 2.4128 2.4129 2.4129 5.3701 5.3701 5.3701 5.3701 8.4324 8.4324 8.4324 8.4324 8.4574 8.4574 8.4574 8.4574 k =-0.3214 0.1163 0.6949 ( 3848 PWs) bands (ev): -34.7054 -34.7054 -34.7054 -34.7054 -15.9633 -15.9633 -15.9633 -15.9633 -15.6044 -15.6044 -15.6044 -15.6044 -15.5556 -15.5556 -15.5556 -15.5556 -0.4655 -0.4655 -0.4655 -0.4655 -0.3874 -0.3874 -0.3874 -0.3874 -0.0857 -0.0857 -0.0857 -0.0857 0.0475 0.0475 0.0475 0.0475 0.1402 0.1402 0.1402 0.1402 2.4330 2.4330 2.4330 2.4330 5.3046 5.3046 5.3046 5.3046 8.4738 8.4738 8.4738 8.4738 8.5008 8.5008 8.5008 8.5008 k =-0.3393 0.1228 0.6949 ( 3850 PWs) bands (ev): -34.7054 -34.7054 -34.7054 -34.7054 -15.9635 -15.9635 -15.9635 -15.9635 -15.6048 -15.6048 -15.6048 -15.6048 -15.5550 -15.5550 -15.5550 -15.5550 -0.4654 -0.4654 -0.4654 -0.4654 -0.3876 -0.3876 -0.3876 -0.3876 -0.0857 -0.0857 -0.0857 -0.0857 0.0473 0.0473 0.0473 0.0473 0.1403 0.1403 0.1403 0.1403 2.4526 2.4526 2.4526 2.4526 5.2437 5.2437 5.2437 5.2437 8.5012 8.5012 8.5012 8.5012 8.5541 8.5541 8.5541 8.5541 k =-0.3571 0.1293 0.6949 ( 3848 PWs) bands (ev): -34.7054 -34.7054 -34.7054 -34.7054 -15.9636 -15.9636 -15.9636 -15.9636 -15.6052 -15.6052 -15.6052 -15.6052 -15.5545 -15.5545 -15.5545 -15.5545 -0.4653 -0.4653 -0.4653 -0.4653 -0.3877 -0.3877 -0.3877 -0.3877 -0.0856 -0.0856 -0.0856 -0.0856 0.0472 0.0472 0.0472 0.0472 0.1404 0.1404 0.1404 0.1404 2.4714 2.4714 2.4714 2.4714 5.1877 5.1877 5.1877 5.1877 8.5263 8.5263 8.5263 8.5263 8.6047 8.6047 8.6047 8.6047 k =-0.3750 0.1357 0.6949 ( 3852 PWs) bands (ev): -34.7054 -34.7054 -34.7054 -34.7054 -15.9638 -15.9638 -15.9638 -15.9638 -15.6056 -15.6056 -15.6056 -15.6056 -15.5540 -15.5540 -15.5540 -15.5540 -0.4653 -0.4653 -0.4653 -0.4653 -0.3878 -0.3878 -0.3878 -0.3878 -0.0856 -0.0856 -0.0856 -0.0856 0.0471 0.0471 0.0471 0.0471 0.1405 0.1405 0.1405 0.1405 2.4891 2.4891 2.4891 2.4891 5.1372 5.1372 5.1372 5.1372 8.5500 8.5500 8.5500 8.5500 8.6509 8.6509 8.6509 8.6509 k =-0.3929 0.1422 0.6949 ( 3854 PWs) bands (ev): -34.7054 -34.7054 -34.7054 -34.7054 -15.9639 -15.9639 -15.9639 -15.9639 -15.6059 -15.6059 -15.6059 -15.6059 -15.5536 -15.5536 -15.5536 -15.5536 -0.4652 -0.4652 -0.4652 -0.4652 -0.3879 -0.3879 -0.3879 -0.3879 -0.0856 -0.0856 -0.0856 -0.0856 0.0469 0.0469 0.0469 0.0469 0.1406 0.1406 0.1406 0.1406 2.5052 2.5052 2.5052 2.5052 5.0924 5.0924 5.0924 5.0924 8.5720 8.5720 8.5720 8.5720 8.6924 8.6924 8.6924 8.6924 k =-0.4107 0.1486 0.6949 ( 3856 PWs) bands (ev): -34.7054 -34.7054 -34.7054 -34.7054 -15.9641 -15.9641 -15.9641 -15.9641 -15.6062 -15.6062 -15.6062 -15.6062 -15.5532 -15.5532 -15.5532 -15.5532 -0.4652 -0.4652 -0.4652 -0.4652 -0.3880 -0.3880 -0.3880 -0.3880 -0.0856 -0.0856 -0.0856 -0.0856 0.0468 0.0468 0.0468 0.0468 0.1406 0.1406 0.1406 0.1406 2.5196 2.5196 2.5196 2.5196 5.0537 5.0537 5.0537 5.0537 8.5918 8.5918 8.5918 8.5918 8.7285 8.7285 8.7285 8.7285 k =-0.4286 0.1551 0.6949 ( 3856 PWs) bands (ev): -34.7054 -34.7054 -34.7054 -34.7054 -15.9642 -15.9642 -15.9642 -15.9642 -15.6064 -15.6064 -15.6064 -15.6064 -15.5529 -15.5529 -15.5529 -15.5529 -0.4651 -0.4651 -0.4651 -0.4651 -0.3880 -0.3880 -0.3880 -0.3880 -0.0856 -0.0856 -0.0856 -0.0856 0.0468 0.0468 0.0468 0.0468 0.1407 0.1407 0.1407 0.1407 2.5318 2.5318 2.5318 2.5318 5.0215 5.0215 5.0215 5.0215 8.6090 8.6090 8.6090 8.6090 8.7588 8.7588 8.7588 8.7588 k =-0.4464 0.1616 0.6949 ( 3856 PWs) bands (ev): -34.7054 -34.7054 -34.7054 -34.7054 -15.9642 -15.9642 -15.9642 -15.9642 -15.6066 -15.6066 -15.6066 -15.6066 -15.5527 -15.5527 -15.5527 -15.5527 -0.4651 -0.4651 -0.4651 -0.4651 -0.3881 -0.3881 -0.3881 -0.3881 -0.0856 -0.0856 -0.0856 -0.0856 0.0467 0.0467 0.0467 0.0467 0.1407 0.1407 0.1407 0.1407 2.5416 2.5416 2.5416 2.5416 4.9961 4.9961 4.9961 4.9961 8.6230 8.6230 8.6230 8.6230 8.7829 8.7829 8.7829 8.7829 k =-0.4643 0.1680 0.6949 ( 3852 PWs) bands (ev): -34.7054 -34.7054 -34.7054 -34.7054 -15.9643 -15.9643 -15.9643 -15.9643 -15.6067 -15.6067 -15.6067 -15.6067 -15.5525 -15.5525 -15.5525 -15.5525 -0.4650 -0.4650 -0.4650 -0.4650 -0.3881 -0.3881 -0.3881 -0.3881 -0.0856 -0.0856 -0.0856 -0.0856 0.0467 0.0467 0.0467 0.0467 0.1408 0.1408 0.1408 0.1408 2.5488 2.5488 2.5488 2.5488 4.9777 4.9777 4.9777 4.9777 8.6334 8.6334 8.6334 8.6334 8.8004 8.8004 8.8004 8.8004 k =-0.4821 0.1745 0.6949 ( 3852 PWs) bands (ev): -34.7054 -34.7054 -34.7054 -34.7054 -15.9643 -15.9643 -15.9643 -15.9643 -15.6067 -15.6067 -15.6067 -15.6067 -15.5524 -15.5524 -15.5524 -15.5524 -0.4650 -0.4650 -0.4650 -0.4650 -0.3881 -0.3881 -0.3881 -0.3881 -0.0856 -0.0856 -0.0856 -0.0856 0.0467 0.0467 0.0467 0.0467 0.1408 0.1408 0.1408 0.1408 2.5532 2.5532 2.5532 2.5532 4.9666 4.9666 4.9666 4.9666 8.6398 8.6398 8.6398 8.6398 8.8111 8.8111 8.8111 8.8111 k =-0.5000 0.1810 0.6949 ( 3852 PWs) bands (ev): -34.7054 -34.7054 -34.7054 -34.7054 -15.9643 -15.9643 -15.9643 -15.9643 -15.6068 -15.6068 -15.6068 -15.6068 -15.5524 -15.5524 -15.5524 -15.5524 -0.4650 -0.4650 -0.4650 -0.4650 -0.3881 -0.3881 -0.3881 -0.3881 -0.0856 -0.0856 -0.0856 -0.0856 0.0466 0.0466 0.0466 0.0466 0.1408 0.1408 0.1408 0.1408 2.5547 2.5547 2.5547 2.5547 4.9629 4.9629 4.9629 4.9629 8.6420 8.6420 8.6420 8.6420 8.8147 8.8147 8.8147 8.8147 Writing output data file CaZn.save init_run : 2.84s CPU 13.17s WALL ( 1 calls) electrons : 996.99s CPU 1006.87s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.29s CPU 1.56s WALL ( 1 calls) Called by electrons: c_bands : 996.96s CPU 1006.63s WALL ( 1 calls) v_of_rho : 0.04s CPU 0.87s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.03s CPU 0.60s WALL ( 1 calls) newd : 0.50s CPU 0.54s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.43s WALL ( 394 calls) cegterg : 933.81s CPU 939.92s WALL ( 1093 calls) Called by sum_band: Called by *egterg: h_psi : 397.83s CPU 408.97s WALL ( 19700 calls) s_psi : 47.20s CPU 47.94s WALL ( 19700 calls) g_psi : 0.99s CPU 1.05s WALL ( 18213 calls) cdiaghg : 361.69s CPU 357.66s WALL ( 18607 calls) cegterg:over : 76.40s CPU 71.75s WALL ( 18213 calls) cegterg:upda : 16.33s CPU 21.45s WALL ( 18213 calls) cegterg:last : 15.31s CPU 16.48s WALL ( 3113 calls) Called by h_psi: h_psi:vloc : 310.94s CPU 320.05s WALL ( 19700 calls) h_psi:vnl : 86.47s CPU 87.80s WALL ( 19700 calls) add_vuspsi : 31.28s CPU 37.12s WALL ( 19700 calls) General routines calbec : 55.13s CPU 50.53s WALL ( 19700 calls) fft : 0.33s CPU 1.57s WALL ( 19 calls) ffts : 0.02s CPU 0.08s WALL ( 4 calls) fftw : 294.17s CPU 300.29s WALL ( 1827552 calls) interpolate : 0.14s CPU 0.22s WALL ( 4 calls) davcio : 0.04s CPU 2.82s WALL ( 788 calls) Parallel routines fft_scatter : 167.93s CPU 170.15s WALL ( 1827575 calls) PWSCF : 17m50.07s CPU 19m59.25s WALL This run was terminated on: 11:37:22 23Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=