Program PWSCF v.5.1.1 starts on 24Nov2015 at 6:50:31 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: ./Si2N2O.save/ 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 46 27 7 1630 709 111 Max 47 28 8 1635 730 116 Sum 2243 1303 379 78351 34721 5459 bravais-lattice index = 14 lattice parameter (alat) = 9.8512 a.u. unit-cell volume = 795.1404 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.851172 celldm(2)= 1.000000 celldm(3)= 0.929404 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.446263 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.446263 0.894902 0.000000 ) a(3) = ( 0.000000 0.000000 0.929404 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.498673 -0.000000 ) b(2) = ( 0.000000 1.117441 -0.000000 ) b(3) = ( 0.000000 0.000000 1.075958 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Si read from file: /home/autes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Si 4.00 28.08550 Si( 1.00) N 5.00 14.00670 N( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) 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 = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.4647022 ) double point group C_2 (2) there are 4 classes and 2 irreducible representations the character table: E -E C2 -C2 G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E C2 -C2 G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 C2 2 -E -1 -C2 -2 Cartesian axes number of k points= 374 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 2) = ( 0.0086430 0.0139680 -0.0000000), wk = 0.0026738 k( 3) = ( 0.0172859 0.0279360 -0.0000000), wk = 0.0026738 k( 4) = ( 0.0259289 0.0419040 -0.0000000), wk = 0.0026738 k( 5) = ( 0.0345719 0.0558721 -0.0000000), wk = 0.0026738 k( 6) = ( 0.0432148 0.0698401 -0.0000000), wk = 0.0026738 k( 7) = ( 0.0518578 0.0838081 -0.0000000), wk = 0.0026738 k( 8) = ( 0.0605007 0.0977761 -0.0000000), wk = 0.0026738 k( 9) = ( 0.0691437 0.1117441 -0.0000000), wk = 0.0026738 k( 10) = ( 0.0777867 0.1257121 -0.0000000), wk = 0.0026738 k( 11) = ( 0.0864296 0.1396801 -0.0000000), wk = 0.0026738 k( 12) = ( 0.0950726 0.1536481 -0.0000000), wk = 0.0026738 k( 13) = ( 0.1037156 0.1676162 -0.0000000), wk = 0.0026738 k( 14) = ( 0.1123585 0.1815842 -0.0000000), wk = 0.0026738 k( 15) = ( 0.1210015 0.1955522 -0.0000000), wk = 0.0026738 k( 16) = ( 0.1296445 0.2095202 -0.0000000), wk = 0.0026738 k( 17) = ( 0.1382874 0.2234882 -0.0000000), wk = 0.0026738 k( 18) = ( 0.1469304 0.2374562 -0.0000000), wk = 0.0026738 k( 19) = ( 0.1555733 0.2514242 -0.0000000), wk = 0.0026738 k( 20) = ( 0.1642163 0.2653923 -0.0000000), wk = 0.0026738 k( 21) = ( 0.1728593 0.2793603 -0.0000000), wk = 0.0026738 k( 22) = ( 0.1815022 0.2933283 -0.0000000), wk = 0.0026738 k( 23) = ( 0.1901452 0.3072963 -0.0000000), wk = 0.0026738 k( 24) = ( 0.1987882 0.3212643 -0.0000000), wk = 0.0026738 k( 25) = ( 0.2074311 0.3352323 -0.0000000), wk = 0.0026738 k( 26) = ( 0.2160741 0.3492003 -0.0000000), wk = 0.0026738 k( 27) = ( 0.2247171 0.3631683 -0.0000000), wk = 0.0026738 k( 28) = ( 0.2333600 0.3771364 -0.0000000), wk = 0.0026738 k( 29) = ( 0.2420030 0.3911044 -0.0000000), wk = 0.0026738 k( 30) = ( 0.2506460 0.4050724 -0.0000000), wk = 0.0026738 k( 31) = ( 0.2592889 0.4190404 -0.0000000), wk = 0.0026738 k( 32) = ( 0.2679319 0.4330084 -0.0000000), wk = 0.0026738 k( 33) = ( 0.2765748 0.4469764 -0.0000000), wk = 0.0026738 k( 34) = ( 0.2852178 0.4609444 -0.0000000), wk = 0.0026738 k( 35) = ( 0.2938608 0.4749124 -0.0000000), wk = 0.0026738 k( 36) = ( 0.3025037 0.4888805 -0.0000000), wk = 0.0026738 k( 37) = ( 0.3111467 0.5028485 -0.0000000), wk = 0.0026738 k( 38) = ( 0.3197897 0.5168165 -0.0000000), wk = 0.0026738 k( 39) = ( 0.3284326 0.5307845 -0.0000000), wk = 0.0026738 k( 40) = ( 0.3370756 0.5447525 -0.0000000), wk = 0.0026738 k( 41) = ( 0.3457186 0.5587205 -0.0000000), wk = 0.0026738 k( 42) = ( 0.3457186 0.5587205 -0.0000000), wk = 0.0026738 k( 43) = ( 0.3292558 0.5587205 -0.0000000), wk = 0.0026738 k( 44) = ( 0.3127930 0.5587205 -0.0000000), wk = 0.0026738 k( 45) = ( 0.2963302 0.5587205 -0.0000000), wk = 0.0026738 k( 46) = ( 0.2798674 0.5587205 -0.0000000), wk = 0.0026738 k( 47) = ( 0.2634046 0.5587205 -0.0000000), wk = 0.0026738 k( 48) = ( 0.2469418 0.5587205 -0.0000000), wk = 0.0026738 k( 49) = ( 0.2304790 0.5587205 -0.0000000), wk = 0.0026738 k( 50) = ( 0.2140162 0.5587205 -0.0000000), wk = 0.0026738 k( 51) = ( 0.1975535 0.5587205 -0.0000000), wk = 0.0026738 k( 52) = ( 0.1810907 0.5587205 -0.0000000), wk = 0.0026738 k( 53) = ( 0.1646279 0.5587205 -0.0000000), wk = 0.0026738 k( 54) = ( 0.1481651 0.5587205 -0.0000000), wk = 0.0026738 k( 55) = ( 0.1317023 0.5587205 -0.0000000), wk = 0.0026738 k( 56) = ( 0.1152395 0.5587205 -0.0000000), wk = 0.0026738 k( 57) = ( 0.0987767 0.5587205 -0.0000000), wk = 0.0026738 k( 58) = ( 0.0823139 0.5587205 -0.0000000), wk = 0.0026738 k( 59) = ( 0.0658511 0.5587205 -0.0000000), wk = 0.0026738 k( 60) = ( 0.0493884 0.5587205 -0.0000000), wk = 0.0026738 k( 61) = ( 0.0329256 0.5587205 -0.0000000), wk = 0.0026738 k( 62) = ( 0.0164628 0.5587205 -0.0000000), wk = 0.0026738 k( 63) = ( 0.0000000 0.5587205 -0.0000000), wk = 0.0026738 k( 64) = ( 0.0000000 0.5587205 -0.0000000), wk = 0.0026738 k( 65) = ( 0.0000000 0.5587205 0.0163024), wk = 0.0026738 k( 66) = ( 0.0000000 0.5587205 0.0326048), wk = 0.0026738 k( 67) = ( 0.0000000 0.5587205 0.0489072), wk = 0.0026738 k( 68) = ( 0.0000000 0.5587205 0.0652096), wk = 0.0026738 k( 69) = ( 0.0000000 0.5587205 0.0815120), wk = 0.0026738 k( 70) = ( 0.0000000 0.5587205 0.0978144), wk = 0.0026738 k( 71) = ( 0.0000000 0.5587205 0.1141168), wk = 0.0026738 k( 72) = ( 0.0000000 0.5587205 0.1304191), wk = 0.0026738 k( 73) = ( 0.0000000 0.5587205 0.1467215), wk = 0.0026738 k( 74) = ( 0.0000000 0.5587205 0.1630239), wk = 0.0026738 k( 75) = ( 0.0000000 0.5587205 0.1793263), wk = 0.0026738 k( 76) = ( 0.0000000 0.5587205 0.1956287), wk = 0.0026738 k( 77) = ( 0.0000000 0.5587205 0.2119311), wk = 0.0026738 k( 78) = ( 0.0000000 0.5587205 0.2282335), wk = 0.0026738 k( 79) = ( 0.0000000 0.5587205 0.2445359), wk = 0.0026738 k( 80) = ( 0.0000000 0.5587205 0.2608383), wk = 0.0026738 k( 81) = ( 0.0000000 0.5587205 0.2771407), wk = 0.0026738 k( 82) = ( 0.0000000 0.5587205 0.2934431), wk = 0.0026738 k( 83) = ( 0.0000000 0.5587205 0.3097455), wk = 0.0026738 k( 84) = ( 0.0000000 0.5587205 0.3260479), wk = 0.0026738 k( 85) = ( 0.0000000 0.5587205 0.3423503), wk = 0.0026738 k( 86) = ( 0.0000000 0.5587205 0.3586526), wk = 0.0026738 k( 87) = ( 0.0000000 0.5587205 0.3749550), wk = 0.0026738 k( 88) = ( 0.0000000 0.5587205 0.3912574), wk = 0.0026738 k( 89) = ( 0.0000000 0.5587205 0.4075598), wk = 0.0026738 k( 90) = ( 0.0000000 0.5587205 0.4238622), wk = 0.0026738 k( 91) = ( 0.0000000 0.5587205 0.4401646), wk = 0.0026738 k( 92) = ( 0.0000000 0.5587205 0.4564670), wk = 0.0026738 k( 93) = ( 0.0000000 0.5587205 0.4727694), wk = 0.0026738 k( 94) = ( 0.0000000 0.5587205 0.4890718), wk = 0.0026738 k( 95) = ( 0.0000000 0.5587205 0.5053742), wk = 0.0026738 k( 96) = ( 0.0000000 0.5587205 0.5216766), wk = 0.0026738 k( 97) = ( 0.0000000 0.5587205 0.5379790), wk = 0.0026738 k( 98) = ( 0.0000000 0.5587205 0.5379790), wk = 0.0026738 k( 99) = ( 0.0164628 0.5587205 0.5379790), wk = 0.0026738 k( 100) = ( 0.0329256 0.5587205 0.5379790), wk = 0.0026738 k( 101) = ( 0.0493884 0.5587205 0.5379790), wk = 0.0026738 k( 102) = ( 0.0658511 0.5587205 0.5379790), wk = 0.0026738 k( 103) = ( 0.0823139 0.5587205 0.5379790), wk = 0.0026738 k( 104) = ( 0.0987767 0.5587205 0.5379790), wk = 0.0026738 k( 105) = ( 0.1152395 0.5587205 0.5379790), wk = 0.0026738 k( 106) = ( 0.1317023 0.5587205 0.5379790), wk = 0.0026738 k( 107) = ( 0.1481651 0.5587205 0.5379790), wk = 0.0026738 k( 108) = ( 0.1646279 0.5587205 0.5379790), wk = 0.0026738 k( 109) = ( 0.1810907 0.5587205 0.5379790), wk = 0.0026738 k( 110) = ( 0.1975535 0.5587205 0.5379790), wk = 0.0026738 k( 111) = ( 0.2140162 0.5587205 0.5379790), wk = 0.0026738 k( 112) = ( 0.2304790 0.5587205 0.5379790), wk = 0.0026738 k( 113) = ( 0.2469418 0.5587205 0.5379790), wk = 0.0026738 k( 114) = ( 0.2634046 0.5587205 0.5379790), wk = 0.0026738 k( 115) = ( 0.2798674 0.5587205 0.5379790), wk = 0.0026738 k( 116) = ( 0.2963302 0.5587205 0.5379790), wk = 0.0026738 k( 117) = ( 0.3127930 0.5587205 0.5379790), wk = 0.0026738 k( 118) = ( 0.3292558 0.5587205 0.5379790), wk = 0.0026738 k( 119) = ( 0.3457186 0.5587205 0.5379790), wk = 0.0026738 k( 120) = ( 0.3457186 0.5587205 0.5379790), wk = 0.0026738 k( 121) = ( 0.3370756 0.5447525 0.5379790), wk = 0.0026738 k( 122) = ( 0.3284326 0.5307845 0.5379790), wk = 0.0026738 k( 123) = ( 0.3197897 0.5168165 0.5379790), wk = 0.0026738 k( 124) = ( 0.3111467 0.5028485 0.5379790), wk = 0.0026738 k( 125) = ( 0.3025037 0.4888805 0.5379790), wk = 0.0026738 k( 126) = ( 0.2938608 0.4749124 0.5379790), wk = 0.0026738 k( 127) = ( 0.2852178 0.4609444 0.5379790), wk = 0.0026738 k( 128) = ( 0.2765748 0.4469764 0.5379790), wk = 0.0026738 k( 129) = ( 0.2679319 0.4330084 0.5379790), wk = 0.0026738 k( 130) = ( 0.2592889 0.4190404 0.5379790), wk = 0.0026738 k( 131) = ( 0.2506460 0.4050724 0.5379790), wk = 0.0026738 k( 132) = ( 0.2420030 0.3911044 0.5379790), wk = 0.0026738 k( 133) = ( 0.2333600 0.3771364 0.5379790), wk = 0.0026738 k( 134) = ( 0.2247171 0.3631683 0.5379790), wk = 0.0026738 k( 135) = ( 0.2160741 0.3492003 0.5379790), wk = 0.0026738 k( 136) = ( 0.2074311 0.3352323 0.5379790), wk = 0.0026738 k( 137) = ( 0.1987882 0.3212643 0.5379790), wk = 0.0026738 k( 138) = ( 0.1901452 0.3072963 0.5379790), wk = 0.0026738 k( 139) = ( 0.1815022 0.2933283 0.5379790), wk = 0.0026738 k( 140) = ( 0.1728593 0.2793603 0.5379790), wk = 0.0026738 k( 141) = ( 0.1642163 0.2653923 0.5379790), wk = 0.0026738 k( 142) = ( 0.1555733 0.2514242 0.5379790), wk = 0.0026738 k( 143) = ( 0.1469304 0.2374562 0.5379790), wk = 0.0026738 k( 144) = ( 0.1382874 0.2234882 0.5379790), wk = 0.0026738 k( 145) = ( 0.1296445 0.2095202 0.5379790), wk = 0.0026738 k( 146) = ( 0.1210015 0.1955522 0.5379790), wk = 0.0026738 k( 147) = ( 0.1123585 0.1815842 0.5379790), wk = 0.0026738 k( 148) = ( 0.1037156 0.1676162 0.5379790), wk = 0.0026738 k( 149) = ( 0.0950726 0.1536481 0.5379790), wk = 0.0026738 k( 150) = ( 0.0864296 0.1396801 0.5379790), wk = 0.0026738 k( 151) = ( 0.0777867 0.1257121 0.5379790), wk = 0.0026738 k( 152) = ( 0.0691437 0.1117441 0.5379790), wk = 0.0026738 k( 153) = ( 0.0605007 0.0977761 0.5379790), wk = 0.0026738 k( 154) = ( 0.0518578 0.0838081 0.5379790), wk = 0.0026738 k( 155) = ( 0.0432148 0.0698401 0.5379790), wk = 0.0026738 k( 156) = ( 0.0345719 0.0558721 0.5379790), wk = 0.0026738 k( 157) = ( 0.0259289 0.0419040 0.5379790), wk = 0.0026738 k( 158) = ( 0.0172859 0.0279360 0.5379790), wk = 0.0026738 k( 159) = ( 0.0086430 0.0139680 0.5379790), wk = 0.0026738 k( 160) = ( 0.0000000 0.0000000 0.5379790), wk = 0.0026738 k( 161) = ( 0.0000000 0.0000000 0.5379790), wk = 0.0026738 k( 162) = ( 0.0000000 0.0000000 0.5216766), wk = 0.0026738 k( 163) = ( 0.0000000 0.0000000 0.5053742), wk = 0.0026738 k( 164) = ( 0.0000000 0.0000000 0.4890718), wk = 0.0026738 k( 165) = ( 0.0000000 0.0000000 0.4727694), wk = 0.0026738 k( 166) = ( 0.0000000 0.0000000 0.4564670), wk = 0.0026738 k( 167) = ( 0.0000000 0.0000000 0.4401646), wk = 0.0026738 k( 168) = ( 0.0000000 0.0000000 0.4238622), wk = 0.0026738 k( 169) = ( 0.0000000 0.0000000 0.4075598), wk = 0.0026738 k( 170) = ( 0.0000000 0.0000000 0.3912574), wk = 0.0026738 k( 171) = ( 0.0000000 0.0000000 0.3749550), wk = 0.0026738 k( 172) = ( 0.0000000 0.0000000 0.3586526), wk = 0.0026738 k( 173) = ( 0.0000000 0.0000000 0.3423503), wk = 0.0026738 k( 174) = ( 0.0000000 0.0000000 0.3260479), wk = 0.0026738 k( 175) = ( 0.0000000 0.0000000 0.3097455), wk = 0.0026738 k( 176) = ( 0.0000000 0.0000000 0.2934431), wk = 0.0026738 k( 177) = ( 0.0000000 0.0000000 0.2771407), wk = 0.0026738 k( 178) = ( 0.0000000 0.0000000 0.2608383), wk = 0.0026738 k( 179) = ( 0.0000000 0.0000000 0.2445359), wk = 0.0026738 k( 180) = ( 0.0000000 0.0000000 0.2282335), wk = 0.0026738 k( 181) = ( 0.0000000 0.0000000 0.2119311), wk = 0.0026738 k( 182) = ( 0.0000000 0.0000000 0.1956287), wk = 0.0026738 k( 183) = ( 0.0000000 0.0000000 0.1793263), wk = 0.0026738 k( 184) = ( 0.0000000 0.0000000 0.1630239), wk = 0.0026738 k( 185) = ( 0.0000000 0.0000000 0.1467215), wk = 0.0026738 k( 186) = ( 0.0000000 0.0000000 0.1304191), wk = 0.0026738 k( 187) = ( 0.0000000 0.0000000 0.1141168), wk = 0.0026738 k( 188) = ( 0.0000000 0.0000000 0.0978144), wk = 0.0026738 k( 189) = ( 0.0000000 0.0000000 0.0815120), wk = 0.0026738 k( 190) = ( 0.0000000 0.0000000 0.0652096), wk = 0.0026738 k( 191) = ( 0.0000000 0.0000000 0.0489072), wk = 0.0026738 k( 192) = ( 0.0000000 0.0000000 0.0326048), wk = 0.0026738 k( 193) = ( 0.0000000 0.0000000 0.0163024), wk = 0.0026738 k( 194) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 195) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 196) = ( -0.0138889 0.0085940 0.0000000), wk = 0.0026738 k( 197) = ( -0.0277778 0.0171880 0.0000000), wk = 0.0026738 k( 198) = ( -0.0416667 0.0257820 0.0000000), wk = 0.0026738 k( 199) = ( -0.0555556 0.0343760 0.0000000), wk = 0.0026738 k( 200) = ( -0.0694444 0.0429700 0.0000000), wk = 0.0026738 k( 201) = ( -0.0833333 0.0515640 0.0000000), wk = 0.0026738 k( 202) = ( -0.0972222 0.0601580 0.0000000), wk = 0.0026738 k( 203) = ( -0.1111111 0.0687520 0.0000000), wk = 0.0026738 k( 204) = ( -0.1250000 0.0773460 0.0000000), wk = 0.0026738 k( 205) = ( -0.1388889 0.0859400 0.0000000), wk = 0.0026738 k( 206) = ( -0.1527778 0.0945341 0.0000000), wk = 0.0026738 k( 207) = ( -0.1666667 0.1031281 0.0000000), wk = 0.0026738 k( 208) = ( -0.1805556 0.1117221 0.0000000), wk = 0.0026738 k( 209) = ( -0.1944444 0.1203161 0.0000000), wk = 0.0026738 k( 210) = ( -0.2083333 0.1289101 0.0000000), wk = 0.0026738 k( 211) = ( -0.2222222 0.1375041 0.0000000), wk = 0.0026738 k( 212) = ( -0.2361111 0.1460981 0.0000000), wk = 0.0026738 k( 213) = ( -0.2500000 0.1546921 0.0000000), wk = 0.0026738 k( 214) = ( -0.2638889 0.1632861 0.0000000), wk = 0.0026738 k( 215) = ( -0.2777778 0.1718801 0.0000000), wk = 0.0026738 k( 216) = ( -0.2916667 0.1804741 0.0000000), wk = 0.0026738 k( 217) = ( -0.3055556 0.1890681 0.0000000), wk = 0.0026738 k( 218) = ( -0.3194444 0.1976621 0.0000000), wk = 0.0026738 k( 219) = ( -0.3333333 0.2062561 0.0000000), wk = 0.0026738 k( 220) = ( -0.3472222 0.2148501 0.0000000), wk = 0.0026738 k( 221) = ( -0.3611111 0.2234441 0.0000000), wk = 0.0026738 k( 222) = ( -0.3750000 0.2320381 0.0000000), wk = 0.0026738 k( 223) = ( -0.3888889 0.2406321 0.0000000), wk = 0.0026738 k( 224) = ( -0.4027778 0.2492261 0.0000000), wk = 0.0026738 k( 225) = ( -0.4166667 0.2578201 0.0000000), wk = 0.0026738 k( 226) = ( -0.4305556 0.2664141 0.0000000), wk = 0.0026738 k( 227) = ( -0.4444444 0.2750081 0.0000000), wk = 0.0026738 k( 228) = ( -0.4583333 0.2836021 0.0000000), wk = 0.0026738 k( 229) = ( -0.4722222 0.2921962 0.0000000), wk = 0.0026738 k( 230) = ( -0.4861111 0.3007902 0.0000000), wk = 0.0026738 k( 231) = ( -0.5000000 0.3093842 0.0000000), wk = 0.0026738 k( 232) = ( -0.5000000 0.3093842 0.0000000), wk = 0.0026738 k( 233) = ( -0.4914288 0.3232362 -0.0000000), wk = 0.0026738 k( 234) = ( -0.4828576 0.3370882 -0.0000000), wk = 0.0026738 k( 235) = ( -0.4742864 0.3509402 -0.0000000), wk = 0.0026738 k( 236) = ( -0.4657152 0.3647922 -0.0000000), wk = 0.0026738 k( 237) = ( -0.4571440 0.3786443 -0.0000000), wk = 0.0026738 k( 238) = ( -0.4485729 0.3924963 -0.0000000), wk = 0.0026738 k( 239) = ( -0.4400017 0.4063483 -0.0000000), wk = 0.0026738 k( 240) = ( -0.4314305 0.4202003 -0.0000000), wk = 0.0026738 k( 241) = ( -0.4228593 0.4340523 -0.0000000), wk = 0.0026738 k( 242) = ( -0.4142881 0.4479044 -0.0000000), wk = 0.0026738 k( 243) = ( -0.4057169 0.4617564 -0.0000000), wk = 0.0026738 k( 244) = ( -0.3971457 0.4756084 -0.0000000), wk = 0.0026738 k( 245) = ( -0.3885745 0.4894604 -0.0000000), wk = 0.0026738 k( 246) = ( -0.3800033 0.5033124 -0.0000000), wk = 0.0026738 k( 247) = ( -0.3714321 0.5171645 -0.0000000), wk = 0.0026738 k( 248) = ( -0.3628609 0.5310165 -0.0000000), wk = 0.0026738 k( 249) = ( -0.3542898 0.5448685 -0.0000000), wk = 0.0026738 k( 250) = ( -0.3457186 0.5587205 -0.0000000), wk = 0.0026738 k( 251) = ( -0.3457186 0.5587205 -0.0000000), wk = 0.0026738 k( 252) = ( -0.3457186 0.5587205 0.0163024), wk = 0.0026738 k( 253) = ( -0.3457186 0.5587205 0.0326048), wk = 0.0026738 k( 254) = ( -0.3457186 0.5587205 0.0489072), wk = 0.0026738 k( 255) = ( -0.3457186 0.5587205 0.0652096), wk = 0.0026738 k( 256) = ( -0.3457186 0.5587205 0.0815120), wk = 0.0026738 k( 257) = ( -0.3457186 0.5587205 0.0978144), wk = 0.0026738 k( 258) = ( -0.3457186 0.5587205 0.1141168), wk = 0.0026738 k( 259) = ( -0.3457186 0.5587205 0.1304191), wk = 0.0026738 k( 260) = ( -0.3457186 0.5587205 0.1467215), wk = 0.0026738 k( 261) = ( -0.3457186 0.5587205 0.1630239), wk = 0.0026738 k( 262) = ( -0.3457186 0.5587205 0.1793263), wk = 0.0026738 k( 263) = ( -0.3457186 0.5587205 0.1956287), wk = 0.0026738 k( 264) = ( -0.3457186 0.5587205 0.2119311), wk = 0.0026738 k( 265) = ( -0.3457186 0.5587205 0.2282335), wk = 0.0026738 k( 266) = ( -0.3457186 0.5587205 0.2445359), wk = 0.0026738 k( 267) = ( -0.3457186 0.5587205 0.2608383), wk = 0.0026738 k( 268) = ( -0.3457186 0.5587205 0.2771407), wk = 0.0026738 k( 269) = ( -0.3457186 0.5587205 0.2934431), wk = 0.0026738 k( 270) = ( -0.3457186 0.5587205 0.3097455), wk = 0.0026738 k( 271) = ( -0.3457186 0.5587205 0.3260479), wk = 0.0026738 k( 272) = ( -0.3457186 0.5587205 0.3423503), wk = 0.0026738 k( 273) = ( -0.3457186 0.5587205 0.3586526), wk = 0.0026738 k( 274) = ( -0.3457186 0.5587205 0.3749550), wk = 0.0026738 k( 275) = ( -0.3457186 0.5587205 0.3912574), wk = 0.0026738 k( 276) = ( -0.3457186 0.5587205 0.4075598), wk = 0.0026738 k( 277) = ( -0.3457186 0.5587205 0.4238622), wk = 0.0026738 k( 278) = ( -0.3457186 0.5587205 0.4401646), wk = 0.0026738 k( 279) = ( -0.3457186 0.5587205 0.4564670), wk = 0.0026738 k( 280) = ( -0.3457186 0.5587205 0.4727694), wk = 0.0026738 k( 281) = ( -0.3457186 0.5587205 0.4890718), wk = 0.0026738 k( 282) = ( -0.3457186 0.5587205 0.5053742), wk = 0.0026738 k( 283) = ( -0.3457186 0.5587205 0.5216766), wk = 0.0026738 k( 284) = ( -0.3457186 0.5587205 0.5379790), wk = 0.0026738 k( 285) = ( -0.3457186 0.5587205 0.5379790), wk = 0.0026738 k( 286) = ( -0.3542898 0.5448685 0.5379790), wk = 0.0026738 k( 287) = ( -0.3628609 0.5310165 0.5379790), wk = 0.0026738 k( 288) = ( -0.3714321 0.5171645 0.5379790), wk = 0.0026738 k( 289) = ( -0.3800033 0.5033124 0.5379790), wk = 0.0026738 k( 290) = ( -0.3885745 0.4894604 0.5379790), wk = 0.0026738 k( 291) = ( -0.3971457 0.4756084 0.5379790), wk = 0.0026738 k( 292) = ( -0.4057169 0.4617564 0.5379790), wk = 0.0026738 k( 293) = ( -0.4142881 0.4479044 0.5379790), wk = 0.0026738 k( 294) = ( -0.4228593 0.4340523 0.5379790), wk = 0.0026738 k( 295) = ( -0.4314305 0.4202003 0.5379790), wk = 0.0026738 k( 296) = ( -0.4400017 0.4063483 0.5379790), wk = 0.0026738 k( 297) = ( -0.4485729 0.3924963 0.5379790), wk = 0.0026738 k( 298) = ( -0.4571440 0.3786443 0.5379790), wk = 0.0026738 k( 299) = ( -0.4657152 0.3647922 0.5379790), wk = 0.0026738 k( 300) = ( -0.4742864 0.3509402 0.5379790), wk = 0.0026738 k( 301) = ( -0.4828576 0.3370882 0.5379790), wk = 0.0026738 k( 302) = ( -0.4914288 0.3232362 0.5379790), wk = 0.0026738 k( 303) = ( -0.5000000 0.3093842 0.5379790), wk = 0.0026738 k( 304) = ( -0.5000000 0.3093842 0.5379790), wk = 0.0026738 k( 305) = ( -0.5000000 0.3093842 0.5216766), wk = 0.0026738 k( 306) = ( -0.5000000 0.3093842 0.5053742), wk = 0.0026738 k( 307) = ( -0.5000000 0.3093842 0.4890718), wk = 0.0026738 k( 308) = ( -0.5000000 0.3093842 0.4727694), wk = 0.0026738 k( 309) = ( -0.5000000 0.3093842 0.4564670), wk = 0.0026738 k( 310) = ( -0.5000000 0.3093842 0.4401646), wk = 0.0026738 k( 311) = ( -0.5000000 0.3093842 0.4238622), wk = 0.0026738 k( 312) = ( -0.5000000 0.3093842 0.4075598), wk = 0.0026738 k( 313) = ( -0.5000000 0.3093842 0.3912574), wk = 0.0026738 k( 314) = ( -0.5000000 0.3093842 0.3749550), wk = 0.0026738 k( 315) = ( -0.5000000 0.3093842 0.3586526), wk = 0.0026738 k( 316) = ( -0.5000000 0.3093842 0.3423503), wk = 0.0026738 k( 317) = ( -0.5000000 0.3093842 0.3260479), wk = 0.0026738 k( 318) = ( -0.5000000 0.3093842 0.3097455), wk = 0.0026738 k( 319) = ( -0.5000000 0.3093842 0.2934431), wk = 0.0026738 k( 320) = ( -0.5000000 0.3093842 0.2771407), wk = 0.0026738 k( 321) = ( -0.5000000 0.3093842 0.2608383), wk = 0.0026738 k( 322) = ( -0.5000000 0.3093842 0.2445359), wk = 0.0026738 k( 323) = ( -0.5000000 0.3093842 0.2282335), wk = 0.0026738 k( 324) = ( -0.5000000 0.3093842 0.2119311), wk = 0.0026738 k( 325) = ( -0.5000000 0.3093842 0.1956287), wk = 0.0026738 k( 326) = ( -0.5000000 0.3093842 0.1793263), wk = 0.0026738 k( 327) = ( -0.5000000 0.3093842 0.1630239), wk = 0.0026738 k( 328) = ( -0.5000000 0.3093842 0.1467215), wk = 0.0026738 k( 329) = ( -0.5000000 0.3093842 0.1304191), wk = 0.0026738 k( 330) = ( -0.5000000 0.3093842 0.1141168), wk = 0.0026738 k( 331) = ( -0.5000000 0.3093842 0.0978144), wk = 0.0026738 k( 332) = ( -0.5000000 0.3093842 0.0815120), wk = 0.0026738 k( 333) = ( -0.5000000 0.3093842 0.0652096), wk = 0.0026738 k( 334) = ( -0.5000000 0.3093842 0.0489072), wk = 0.0026738 k( 335) = ( -0.5000000 0.3093842 0.0326048), wk = 0.0026738 k( 336) = ( -0.5000000 0.3093842 0.0163024), wk = 0.0026738 k( 337) = ( -0.5000000 0.3093842 0.0000000), wk = 0.0026738 k( 338) = ( 0.0000000 0.0000000 0.5379790), wk = 0.0026738 k( 339) = ( -0.0138889 0.0085940 0.5379790), wk = 0.0026738 k( 340) = ( -0.0277778 0.0171880 0.5379790), wk = 0.0026738 k( 341) = ( -0.0416667 0.0257820 0.5379790), wk = 0.0026738 k( 342) = ( -0.0555556 0.0343760 0.5379790), wk = 0.0026738 k( 343) = ( -0.0694444 0.0429700 0.5379790), wk = 0.0026738 k( 344) = ( -0.0833333 0.0515640 0.5379790), wk = 0.0026738 k( 345) = ( -0.0972222 0.0601580 0.5379790), wk = 0.0026738 k( 346) = ( -0.1111111 0.0687520 0.5379790), wk = 0.0026738 k( 347) = ( -0.1250000 0.0773460 0.5379790), wk = 0.0026738 k( 348) = ( -0.1388889 0.0859400 0.5379790), wk = 0.0026738 k( 349) = ( -0.1527778 0.0945341 0.5379790), wk = 0.0026738 k( 350) = ( -0.1666667 0.1031281 0.5379790), wk = 0.0026738 k( 351) = ( -0.1805556 0.1117221 0.5379790), wk = 0.0026738 k( 352) = ( -0.1944444 0.1203161 0.5379790), wk = 0.0026738 k( 353) = ( -0.2083333 0.1289101 0.5379790), wk = 0.0026738 k( 354) = ( -0.2222222 0.1375041 0.5379790), wk = 0.0026738 k( 355) = ( -0.2361111 0.1460981 0.5379790), wk = 0.0026738 k( 356) = ( -0.2500000 0.1546921 0.5379790), wk = 0.0026738 k( 357) = ( -0.2638889 0.1632861 0.5379790), wk = 0.0026738 k( 358) = ( -0.2777778 0.1718801 0.5379790), wk = 0.0026738 k( 359) = ( -0.2916667 0.1804741 0.5379790), wk = 0.0026738 k( 360) = ( -0.3055556 0.1890681 0.5379790), wk = 0.0026738 k( 361) = ( -0.3194444 0.1976621 0.5379790), wk = 0.0026738 k( 362) = ( -0.3333333 0.2062561 0.5379790), wk = 0.0026738 k( 363) = ( -0.3472222 0.2148501 0.5379790), wk = 0.0026738 k( 364) = ( -0.3611111 0.2234441 0.5379790), wk = 0.0026738 k( 365) = ( -0.3750000 0.2320381 0.5379790), wk = 0.0026738 k( 366) = ( -0.3888889 0.2406321 0.5379790), wk = 0.0026738 k( 367) = ( -0.4027778 0.2492261 0.5379790), wk = 0.0026738 k( 368) = ( -0.4166667 0.2578201 0.5379790), wk = 0.0026738 k( 369) = ( -0.4305556 0.2664141 0.5379790), wk = 0.0026738 k( 370) = ( -0.4444444 0.2750081 0.5379790), wk = 0.0026738 k( 371) = ( -0.4583333 0.2836021 0.5379790), wk = 0.0026738 k( 372) = ( -0.4722222 0.2921962 0.5379790), wk = 0.0026738 k( 373) = ( -0.4861111 0.3007902 0.5379790), wk = 0.0026738 k( 374) = ( -0.5000000 0.3093842 0.5379790), wk = 0.0026738 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 2) = ( 0.0086430 0.0086430 0.0000000), wk = 0.0026738 k( 3) = ( 0.0172859 0.0172859 0.0000000), wk = 0.0026738 k( 4) = ( 0.0259289 0.0259289 0.0000000), wk = 0.0026738 k( 5) = ( 0.0345719 0.0345719 0.0000000), wk = 0.0026738 k( 6) = ( 0.0432148 0.0432148 0.0000000), wk = 0.0026738 k( 7) = ( 0.0518578 0.0518578 0.0000000), wk = 0.0026738 k( 8) = ( 0.0605007 0.0605007 0.0000000), wk = 0.0026738 k( 9) = ( 0.0691437 0.0691437 0.0000000), wk = 0.0026738 k( 10) = ( 0.0777867 0.0777867 -0.0000000), wk = 0.0026738 k( 11) = ( 0.0864296 0.0864296 0.0000000), wk = 0.0026738 k( 12) = ( 0.0950726 0.0950726 0.0000000), wk = 0.0026738 k( 13) = ( 0.1037156 0.1037156 0.0000000), wk = 0.0026738 k( 14) = ( 0.1123585 0.1123585 -0.0000000), wk = 0.0026738 k( 15) = ( 0.1210015 0.1210015 0.0000000), wk = 0.0026738 k( 16) = ( 0.1296445 0.1296445 0.0000000), wk = 0.0026738 k( 17) = ( 0.1382874 0.1382874 0.0000000), wk = 0.0026738 k( 18) = ( 0.1469304 0.1469304 0.0000000), wk = 0.0026738 k( 19) = ( 0.1555733 0.1555733 0.0000000), wk = 0.0026738 k( 20) = ( 0.1642163 0.1642163 0.0000000), wk = 0.0026738 k( 21) = ( 0.1728593 0.1728593 0.0000000), wk = 0.0026738 k( 22) = ( 0.1815022 0.1815022 -0.0000000), wk = 0.0026738 k( 23) = ( 0.1901452 0.1901452 0.0000000), wk = 0.0026738 k( 24) = ( 0.1987882 0.1987882 0.0000000), wk = 0.0026738 k( 25) = ( 0.2074311 0.2074311 0.0000000), wk = 0.0026738 k( 26) = ( 0.2160741 0.2160741 0.0000000), wk = 0.0026738 k( 27) = ( 0.2247171 0.2247171 -0.0000000), wk = 0.0026738 k( 28) = ( 0.2333600 0.2333600 0.0000000), wk = 0.0026738 k( 29) = ( 0.2420030 0.2420030 0.0000000), wk = 0.0026738 k( 30) = ( 0.2506460 0.2506460 0.0000000), wk = 0.0026738 k( 31) = ( 0.2592889 0.2592889 0.0000000), wk = 0.0026738 k( 32) = ( 0.2679319 0.2679319 0.0000000), wk = 0.0026738 k( 33) = ( 0.2765748 0.2765748 0.0000000), wk = 0.0026738 k( 34) = ( 0.2852178 0.2852178 0.0000000), wk = 0.0026738 k( 35) = ( 0.2938608 0.2938608 0.0000000), wk = 0.0026738 k( 36) = ( 0.3025037 0.3025037 0.0000000), wk = 0.0026738 k( 37) = ( 0.3111467 0.3111467 0.0000000), wk = 0.0026738 k( 38) = ( 0.3197897 0.3197897 0.0000000), wk = 0.0026738 k( 39) = ( 0.3284326 0.3284326 -0.0000000), wk = 0.0026738 k( 40) = ( 0.3370756 0.3370756 0.0000000), wk = 0.0026738 k( 41) = ( 0.3457186 0.3457186 0.0000000), wk = 0.0026738 k( 42) = ( 0.3457186 0.3457186 0.0000000), wk = 0.0026738 k( 43) = ( 0.3292558 0.3530653 0.0000000), wk = 0.0026738 k( 44) = ( 0.3127930 0.3604120 0.0000000), wk = 0.0026738 k( 45) = ( 0.2963302 0.3677588 0.0000000), wk = 0.0026738 k( 46) = ( 0.2798674 0.3751055 0.0000000), wk = 0.0026738 k( 47) = ( 0.2634046 0.3824522 -0.0000000), wk = 0.0026738 k( 48) = ( 0.2469418 0.3897990 0.0000000), wk = 0.0026738 k( 49) = ( 0.2304790 0.3971457 0.0000000), wk = 0.0026738 k( 50) = ( 0.2140162 0.4044924 0.0000000), wk = 0.0026738 k( 51) = ( 0.1975535 0.4118392 0.0000000), wk = 0.0026738 k( 52) = ( 0.1810907 0.4191859 -0.0000000), wk = 0.0026738 k( 53) = ( 0.1646279 0.4265327 0.0000000), wk = 0.0026738 k( 54) = ( 0.1481651 0.4338794 0.0000000), wk = 0.0026738 k( 55) = ( 0.1317023 0.4412261 0.0000000), wk = 0.0026738 k( 56) = ( 0.1152395 0.4485729 0.0000000), wk = 0.0026738 k( 57) = ( 0.0987767 0.4559196 0.0000000), wk = 0.0026738 k( 58) = ( 0.0823139 0.4632663 -0.0000000), wk = 0.0026738 k( 59) = ( 0.0658511 0.4706131 0.0000000), wk = 0.0026738 k( 60) = ( 0.0493884 0.4779598 0.0000000), wk = 0.0026738 k( 61) = ( 0.0329256 0.4853065 0.0000000), wk = 0.0026738 k( 62) = ( 0.0164628 0.4926533 0.0000000), wk = 0.0026738 k( 63) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026738 k( 64) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026738 k( 65) = ( 0.0000000 0.5000000 0.0151515), wk = 0.0026738 k( 66) = ( 0.0000000 0.5000000 0.0303030), wk = 0.0026738 k( 67) = ( 0.0000000 0.5000000 0.0454545), wk = 0.0026738 k( 68) = ( 0.0000000 0.5000000 0.0606061), wk = 0.0026738 k( 69) = ( 0.0000000 0.5000000 0.0757576), wk = 0.0026738 k( 70) = ( 0.0000000 0.5000000 0.0909091), wk = 0.0026738 k( 71) = ( 0.0000000 0.5000000 0.1060606), wk = 0.0026738 k( 72) = ( 0.0000000 0.5000000 0.1212121), wk = 0.0026738 k( 73) = ( 0.0000000 0.5000000 0.1363636), wk = 0.0026738 k( 74) = ( 0.0000000 0.5000000 0.1515151), wk = 0.0026738 k( 75) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0026738 k( 76) = ( 0.0000000 0.5000000 0.1818182), wk = 0.0026738 k( 77) = ( 0.0000000 0.5000000 0.1969697), wk = 0.0026738 k( 78) = ( 0.0000000 0.5000000 0.2121212), wk = 0.0026738 k( 79) = ( 0.0000000 0.5000000 0.2272727), wk = 0.0026738 k( 80) = ( 0.0000000 0.5000000 0.2424242), wk = 0.0026738 k( 81) = ( 0.0000000 0.5000000 0.2575758), wk = 0.0026738 k( 82) = ( 0.0000000 0.5000000 0.2727273), wk = 0.0026738 k( 83) = ( 0.0000000 0.5000000 0.2878788), wk = 0.0026738 k( 84) = ( 0.0000000 0.5000000 0.3030303), wk = 0.0026738 k( 85) = ( 0.0000000 0.5000000 0.3181818), wk = 0.0026738 k( 86) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0026738 k( 87) = ( 0.0000000 0.5000000 0.3484848), wk = 0.0026738 k( 88) = ( 0.0000000 0.5000000 0.3636364), wk = 0.0026738 k( 89) = ( 0.0000000 0.5000000 0.3787879), wk = 0.0026738 k( 90) = ( 0.0000000 0.5000000 0.3939394), wk = 0.0026738 k( 91) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0026738 k( 92) = ( 0.0000000 0.5000000 0.4242424), wk = 0.0026738 k( 93) = ( 0.0000000 0.5000000 0.4393939), wk = 0.0026738 k( 94) = ( 0.0000000 0.5000000 0.4545454), wk = 0.0026738 k( 95) = ( 0.0000000 0.5000000 0.4696970), wk = 0.0026738 k( 96) = ( 0.0000000 0.5000000 0.4848485), wk = 0.0026738 k( 97) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026738 k( 98) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026738 k( 99) = ( 0.0164628 0.4926533 0.5000000), wk = 0.0026738 k( 100) = ( 0.0329256 0.4853065 0.5000000), wk = 0.0026738 k( 101) = ( 0.0493884 0.4779598 0.5000000), wk = 0.0026738 k( 102) = ( 0.0658511 0.4706131 0.5000000), wk = 0.0026738 k( 103) = ( 0.0823139 0.4632663 0.5000000), wk = 0.0026738 k( 104) = ( 0.0987767 0.4559196 0.5000000), wk = 0.0026738 k( 105) = ( 0.1152395 0.4485729 0.5000000), wk = 0.0026738 k( 106) = ( 0.1317023 0.4412261 0.5000000), wk = 0.0026738 k( 107) = ( 0.1481651 0.4338794 0.5000000), wk = 0.0026738 k( 108) = ( 0.1646279 0.4265327 0.5000000), wk = 0.0026738 k( 109) = ( 0.1810907 0.4191859 0.5000000), wk = 0.0026738 k( 110) = ( 0.1975535 0.4118392 0.5000000), wk = 0.0026738 k( 111) = ( 0.2140162 0.4044924 0.5000000), wk = 0.0026738 k( 112) = ( 0.2304790 0.3971457 0.5000000), wk = 0.0026738 k( 113) = ( 0.2469418 0.3897990 0.5000000), wk = 0.0026738 k( 114) = ( 0.2634046 0.3824522 0.5000000), wk = 0.0026738 k( 115) = ( 0.2798674 0.3751055 0.5000000), wk = 0.0026738 k( 116) = ( 0.2963302 0.3677588 0.5000000), wk = 0.0026738 k( 117) = ( 0.3127930 0.3604120 0.5000000), wk = 0.0026738 k( 118) = ( 0.3292558 0.3530653 0.5000000), wk = 0.0026738 k( 119) = ( 0.3457186 0.3457186 0.5000000), wk = 0.0026738 k( 120) = ( 0.3457186 0.3457186 0.5000000), wk = 0.0026738 k( 121) = ( 0.3370756 0.3370756 0.5000000), wk = 0.0026738 k( 122) = ( 0.3284326 0.3284326 0.5000000), wk = 0.0026738 k( 123) = ( 0.3197897 0.3197897 0.5000000), wk = 0.0026738 k( 124) = ( 0.3111467 0.3111467 0.5000000), wk = 0.0026738 k( 125) = ( 0.3025037 0.3025037 0.5000000), wk = 0.0026738 k( 126) = ( 0.2938608 0.2938608 0.5000000), wk = 0.0026738 k( 127) = ( 0.2852178 0.2852178 0.5000000), wk = 0.0026738 k( 128) = ( 0.2765748 0.2765748 0.5000000), wk = 0.0026738 k( 129) = ( 0.2679319 0.2679319 0.5000000), wk = 0.0026738 k( 130) = ( 0.2592889 0.2592889 0.5000000), wk = 0.0026738 k( 131) = ( 0.2506460 0.2506460 0.5000000), wk = 0.0026738 k( 132) = ( 0.2420030 0.2420030 0.5000000), wk = 0.0026738 k( 133) = ( 0.2333600 0.2333600 0.5000000), wk = 0.0026738 k( 134) = ( 0.2247171 0.2247171 0.5000000), wk = 0.0026738 k( 135) = ( 0.2160741 0.2160741 0.5000000), wk = 0.0026738 k( 136) = ( 0.2074311 0.2074311 0.5000000), wk = 0.0026738 k( 137) = ( 0.1987882 0.1987882 0.5000000), wk = 0.0026738 k( 138) = ( 0.1901452 0.1901452 0.5000000), wk = 0.0026738 k( 139) = ( 0.1815022 0.1815022 0.5000000), wk = 0.0026738 k( 140) = ( 0.1728593 0.1728593 0.5000000), wk = 0.0026738 k( 141) = ( 0.1642163 0.1642163 0.5000000), wk = 0.0026738 k( 142) = ( 0.1555733 0.1555733 0.5000000), wk = 0.0026738 k( 143) = ( 0.1469304 0.1469304 0.5000000), wk = 0.0026738 k( 144) = ( 0.1382874 0.1382874 0.5000000), wk = 0.0026738 k( 145) = ( 0.1296445 0.1296445 0.5000000), wk = 0.0026738 k( 146) = ( 0.1210015 0.1210015 0.5000000), wk = 0.0026738 k( 147) = ( 0.1123585 0.1123585 0.5000000), wk = 0.0026738 k( 148) = ( 0.1037156 0.1037156 0.5000000), wk = 0.0026738 k( 149) = ( 0.0950726 0.0950726 0.5000000), wk = 0.0026738 k( 150) = ( 0.0864296 0.0864296 0.5000000), wk = 0.0026738 k( 151) = ( 0.0777867 0.0777867 0.5000000), wk = 0.0026738 k( 152) = ( 0.0691437 0.0691437 0.5000000), wk = 0.0026738 k( 153) = ( 0.0605007 0.0605007 0.5000000), wk = 0.0026738 k( 154) = ( 0.0518578 0.0518578 0.5000000), wk = 0.0026738 k( 155) = ( 0.0432148 0.0432148 0.5000000), wk = 0.0026738 k( 156) = ( 0.0345719 0.0345719 0.5000000), wk = 0.0026738 k( 157) = ( 0.0259289 0.0259289 0.5000000), wk = 0.0026738 k( 158) = ( 0.0172859 0.0172859 0.5000000), wk = 0.0026738 k( 159) = ( 0.0086430 0.0086430 0.5000000), wk = 0.0026738 k( 160) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026738 k( 161) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026738 k( 162) = ( 0.0000000 0.0000000 0.4848485), wk = 0.0026738 k( 163) = ( 0.0000000 0.0000000 0.4696970), wk = 0.0026738 k( 164) = ( 0.0000000 0.0000000 0.4545454), wk = 0.0026738 k( 165) = ( 0.0000000 0.0000000 0.4393939), wk = 0.0026738 k( 166) = ( 0.0000000 0.0000000 0.4242424), wk = 0.0026738 k( 167) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0026738 k( 168) = ( 0.0000000 0.0000000 0.3939394), wk = 0.0026738 k( 169) = ( 0.0000000 0.0000000 0.3787879), wk = 0.0026738 k( 170) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0026738 k( 171) = ( 0.0000000 0.0000000 0.3484848), wk = 0.0026738 k( 172) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0026738 k( 173) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0026738 k( 174) = ( 0.0000000 0.0000000 0.3030303), wk = 0.0026738 k( 175) = ( 0.0000000 0.0000000 0.2878788), wk = 0.0026738 k( 176) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0026738 k( 177) = ( 0.0000000 0.0000000 0.2575758), wk = 0.0026738 k( 178) = ( 0.0000000 0.0000000 0.2424242), wk = 0.0026738 k( 179) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0026738 k( 180) = ( 0.0000000 0.0000000 0.2121212), wk = 0.0026738 k( 181) = ( 0.0000000 0.0000000 0.1969697), wk = 0.0026738 k( 182) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0026738 k( 183) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0026738 k( 184) = ( 0.0000000 0.0000000 0.1515151), wk = 0.0026738 k( 185) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0026738 k( 186) = ( 0.0000000 0.0000000 0.1212121), wk = 0.0026738 k( 187) = ( 0.0000000 0.0000000 0.1060606), wk = 0.0026738 k( 188) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0026738 k( 189) = ( 0.0000000 0.0000000 0.0757576), wk = 0.0026738 k( 190) = ( 0.0000000 0.0000000 0.0606061), wk = 0.0026738 k( 191) = ( 0.0000000 0.0000000 0.0454545), wk = 0.0026738 k( 192) = ( 0.0000000 0.0000000 0.0303030), wk = 0.0026738 k( 193) = ( 0.0000000 0.0000000 0.0151515), wk = 0.0026738 k( 194) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 195) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 196) = ( -0.0138889 0.0138889 -0.0000000), wk = 0.0026738 k( 197) = ( -0.0277778 0.0277778 -0.0000000), wk = 0.0026738 k( 198) = ( -0.0416667 0.0416667 0.0000000), wk = 0.0026738 k( 199) = ( -0.0555556 0.0555556 -0.0000000), wk = 0.0026738 k( 200) = ( -0.0694444 0.0694444 0.0000000), wk = 0.0026738 k( 201) = ( -0.0833333 0.0833333 -0.0000000), wk = 0.0026738 k( 202) = ( -0.0972222 0.0972222 0.0000000), wk = 0.0026738 k( 203) = ( -0.1111111 0.1111111 -0.0000000), wk = 0.0026738 k( 204) = ( -0.1250000 0.1250000 0.0000000), wk = 0.0026738 k( 205) = ( -0.1388889 0.1388889 -0.0000000), wk = 0.0026738 k( 206) = ( -0.1527778 0.1527778 0.0000000), wk = 0.0026738 k( 207) = ( -0.1666667 0.1666667 -0.0000000), wk = 0.0026738 k( 208) = ( -0.1805556 0.1805556 -0.0000000), wk = 0.0026738 k( 209) = ( -0.1944444 0.1944444 0.0000000), wk = 0.0026738 k( 210) = ( -0.2083333 0.2083333 0.0000000), wk = 0.0026738 k( 211) = ( -0.2222222 0.2222222 -0.0000000), wk = 0.0026738 k( 212) = ( -0.2361111 0.2361111 -0.0000000), wk = 0.0026738 k( 213) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0026738 k( 214) = ( -0.2638889 0.2638889 -0.0000000), wk = 0.0026738 k( 215) = ( -0.2777778 0.2777778 -0.0000000), wk = 0.0026738 k( 216) = ( -0.2916667 0.2916667 -0.0000000), wk = 0.0026738 k( 217) = ( -0.3055556 0.3055556 0.0000000), wk = 0.0026738 k( 218) = ( -0.3194444 0.3194444 -0.0000000), wk = 0.0026738 k( 219) = ( -0.3333333 0.3333333 0.0000000), wk = 0.0026738 k( 220) = ( -0.3472222 0.3472222 -0.0000000), wk = 0.0026738 k( 221) = ( -0.3611111 0.3611111 -0.0000000), wk = 0.0026738 k( 222) = ( -0.3750000 0.3750000 -0.0000000), wk = 0.0026738 k( 223) = ( -0.3888889 0.3888889 0.0000000), wk = 0.0026738 k( 224) = ( -0.4027778 0.4027778 -0.0000000), wk = 0.0026738 k( 225) = ( -0.4166667 0.4166667 0.0000000), wk = 0.0026738 k( 226) = ( -0.4305556 0.4305556 0.0000000), wk = 0.0026738 k( 227) = ( -0.4444444 0.4444444 -0.0000000), wk = 0.0026738 k( 228) = ( -0.4583333 0.4583333 0.0000000), wk = 0.0026738 k( 229) = ( -0.4722222 0.4722222 -0.0000000), wk = 0.0026738 k( 230) = ( -0.4861111 0.4861111 -0.0000000), wk = 0.0026738 k( 231) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0026738 k( 232) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0026738 k( 233) = ( -0.4914288 0.5085712 -0.0000000), wk = 0.0026738 k( 234) = ( -0.4828576 0.5171424 -0.0000000), wk = 0.0026738 k( 235) = ( -0.4742864 0.5257136 -0.0000000), wk = 0.0026738 k( 236) = ( -0.4657152 0.5342848 0.0000000), wk = 0.0026738 k( 237) = ( -0.4571440 0.5428560 0.0000000), wk = 0.0026738 k( 238) = ( -0.4485729 0.5514271 0.0000000), wk = 0.0026738 k( 239) = ( -0.4400017 0.5599983 -0.0000000), wk = 0.0026738 k( 240) = ( -0.4314305 0.5685695 -0.0000000), wk = 0.0026738 k( 241) = ( -0.4228593 0.5771407 -0.0000000), wk = 0.0026738 k( 242) = ( -0.4142881 0.5857119 0.0000000), wk = 0.0026738 k( 243) = ( -0.4057169 0.5942831 -0.0000000), wk = 0.0026738 k( 244) = ( -0.3971457 0.6028543 0.0000000), wk = 0.0026738 k( 245) = ( -0.3885745 0.6114255 0.0000000), wk = 0.0026738 k( 246) = ( -0.3800033 0.6199967 0.0000000), wk = 0.0026738 k( 247) = ( -0.3714321 0.6285679 -0.0000000), wk = 0.0026738 k( 248) = ( -0.3628609 0.6371391 0.0000000), wk = 0.0026738 k( 249) = ( -0.3542898 0.6457103 -0.0000000), wk = 0.0026738 k( 250) = ( -0.3457186 0.6542814 -0.0000000), wk = 0.0026738 k( 251) = ( -0.3457186 0.6542814 -0.0000000), wk = 0.0026738 k( 252) = ( -0.3457186 0.6542814 0.0151515), wk = 0.0026738 k( 253) = ( -0.3457186 0.6542814 0.0303030), wk = 0.0026738 k( 254) = ( -0.3457186 0.6542814 0.0454545), wk = 0.0026738 k( 255) = ( -0.3457186 0.6542814 0.0606061), wk = 0.0026738 k( 256) = ( -0.3457186 0.6542814 0.0757576), wk = 0.0026738 k( 257) = ( -0.3457186 0.6542814 0.0909091), wk = 0.0026738 k( 258) = ( -0.3457186 0.6542814 0.1060606), wk = 0.0026738 k( 259) = ( -0.3457186 0.6542814 0.1212121), wk = 0.0026738 k( 260) = ( -0.3457186 0.6542814 0.1363636), wk = 0.0026738 k( 261) = ( -0.3457186 0.6542814 0.1515151), wk = 0.0026738 k( 262) = ( -0.3457186 0.6542814 0.1666667), wk = 0.0026738 k( 263) = ( -0.3457186 0.6542814 0.1818182), wk = 0.0026738 k( 264) = ( -0.3457186 0.6542814 0.1969697), wk = 0.0026738 k( 265) = ( -0.3457186 0.6542814 0.2121212), wk = 0.0026738 k( 266) = ( -0.3457186 0.6542814 0.2272727), wk = 0.0026738 k( 267) = ( -0.3457186 0.6542814 0.2424242), wk = 0.0026738 k( 268) = ( -0.3457186 0.6542814 0.2575758), wk = 0.0026738 k( 269) = ( -0.3457186 0.6542814 0.2727273), wk = 0.0026738 k( 270) = ( -0.3457186 0.6542814 0.2878788), wk = 0.0026738 k( 271) = ( -0.3457186 0.6542814 0.3030303), wk = 0.0026738 k( 272) = ( -0.3457186 0.6542814 0.3181818), wk = 0.0026738 k( 273) = ( -0.3457186 0.6542814 0.3333333), wk = 0.0026738 k( 274) = ( -0.3457186 0.6542814 0.3484848), wk = 0.0026738 k( 275) = ( -0.3457186 0.6542814 0.3636364), wk = 0.0026738 k( 276) = ( -0.3457186 0.6542814 0.3787879), wk = 0.0026738 k( 277) = ( -0.3457186 0.6542814 0.3939394), wk = 0.0026738 k( 278) = ( -0.3457186 0.6542814 0.4090909), wk = 0.0026738 k( 279) = ( -0.3457186 0.6542814 0.4242424), wk = 0.0026738 k( 280) = ( -0.3457186 0.6542814 0.4393939), wk = 0.0026738 k( 281) = ( -0.3457186 0.6542814 0.4545454), wk = 0.0026738 k( 282) = ( -0.3457186 0.6542814 0.4696970), wk = 0.0026738 k( 283) = ( -0.3457186 0.6542814 0.4848485), wk = 0.0026738 k( 284) = ( -0.3457186 0.6542814 0.5000000), wk = 0.0026738 k( 285) = ( -0.3457186 0.6542814 0.5000000), wk = 0.0026738 k( 286) = ( -0.3542898 0.6457103 0.5000000), wk = 0.0026738 k( 287) = ( -0.3628609 0.6371391 0.5000000), wk = 0.0026738 k( 288) = ( -0.3714321 0.6285679 0.5000000), wk = 0.0026738 k( 289) = ( -0.3800033 0.6199967 0.5000000), wk = 0.0026738 k( 290) = ( -0.3885745 0.6114255 0.5000000), wk = 0.0026738 k( 291) = ( -0.3971457 0.6028543 0.5000000), wk = 0.0026738 k( 292) = ( -0.4057169 0.5942831 0.5000000), wk = 0.0026738 k( 293) = ( -0.4142881 0.5857119 0.5000000), wk = 0.0026738 k( 294) = ( -0.4228593 0.5771407 0.5000000), wk = 0.0026738 k( 295) = ( -0.4314305 0.5685695 0.5000000), wk = 0.0026738 k( 296) = ( -0.4400017 0.5599983 0.5000000), wk = 0.0026738 k( 297) = ( -0.4485729 0.5514271 0.5000000), wk = 0.0026738 k( 298) = ( -0.4571440 0.5428560 0.5000000), wk = 0.0026738 k( 299) = ( -0.4657152 0.5342848 0.5000000), wk = 0.0026738 k( 300) = ( -0.4742864 0.5257136 0.5000000), wk = 0.0026738 k( 301) = ( -0.4828576 0.5171424 0.5000000), wk = 0.0026738 k( 302) = ( -0.4914288 0.5085712 0.5000000), wk = 0.0026738 k( 303) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026738 k( 304) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026738 k( 305) = ( -0.5000000 0.5000000 0.4848485), wk = 0.0026738 k( 306) = ( -0.5000000 0.5000000 0.4696970), wk = 0.0026738 k( 307) = ( -0.5000000 0.5000000 0.4545454), wk = 0.0026738 k( 308) = ( -0.5000000 0.5000000 0.4393939), wk = 0.0026738 k( 309) = ( -0.5000000 0.5000000 0.4242424), wk = 0.0026738 k( 310) = ( -0.5000000 0.5000000 0.4090909), wk = 0.0026738 k( 311) = ( -0.5000000 0.5000000 0.3939394), wk = 0.0026738 k( 312) = ( -0.5000000 0.5000000 0.3787879), wk = 0.0026738 k( 313) = ( -0.5000000 0.5000000 0.3636364), wk = 0.0026738 k( 314) = ( -0.5000000 0.5000000 0.3484848), wk = 0.0026738 k( 315) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0026738 k( 316) = ( -0.5000000 0.5000000 0.3181818), wk = 0.0026738 k( 317) = ( -0.5000000 0.5000000 0.3030303), wk = 0.0026738 k( 318) = ( -0.5000000 0.5000000 0.2878788), wk = 0.0026738 k( 319) = ( -0.5000000 0.5000000 0.2727273), wk = 0.0026738 k( 320) = ( -0.5000000 0.5000000 0.2575758), wk = 0.0026738 k( 321) = ( -0.5000000 0.5000000 0.2424242), wk = 0.0026738 k( 322) = ( -0.5000000 0.5000000 0.2272727), wk = 0.0026738 k( 323) = ( -0.5000000 0.5000000 0.2121212), wk = 0.0026738 k( 324) = ( -0.5000000 0.5000000 0.1969697), wk = 0.0026738 k( 325) = ( -0.5000000 0.5000000 0.1818182), wk = 0.0026738 k( 326) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0026738 k( 327) = ( -0.5000000 0.5000000 0.1515151), wk = 0.0026738 k( 328) = ( -0.5000000 0.5000000 0.1363636), wk = 0.0026738 k( 329) = ( -0.5000000 0.5000000 0.1212121), wk = 0.0026738 k( 330) = ( -0.5000000 0.5000000 0.1060606), wk = 0.0026738 k( 331) = ( -0.5000000 0.5000000 0.0909091), wk = 0.0026738 k( 332) = ( -0.5000000 0.5000000 0.0757576), wk = 0.0026738 k( 333) = ( -0.5000000 0.5000000 0.0606061), wk = 0.0026738 k( 334) = ( -0.5000000 0.5000000 0.0454545), wk = 0.0026738 k( 335) = ( -0.5000000 0.5000000 0.0303030), wk = 0.0026738 k( 336) = ( -0.5000000 0.5000000 0.0151515), wk = 0.0026738 k( 337) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0026738 k( 338) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026738 k( 339) = ( -0.0138889 0.0138889 0.5000000), wk = 0.0026738 k( 340) = ( -0.0277778 0.0277778 0.5000000), wk = 0.0026738 k( 341) = ( -0.0416667 0.0416667 0.5000000), wk = 0.0026738 k( 342) = ( -0.0555556 0.0555556 0.5000000), wk = 0.0026738 k( 343) = ( -0.0694444 0.0694444 0.5000000), wk = 0.0026738 k( 344) = ( -0.0833333 0.0833333 0.5000000), wk = 0.0026738 k( 345) = ( -0.0972222 0.0972222 0.5000000), wk = 0.0026738 k( 346) = ( -0.1111111 0.1111111 0.5000000), wk = 0.0026738 k( 347) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0026738 k( 348) = ( -0.1388889 0.1388889 0.5000000), wk = 0.0026738 k( 349) = ( -0.1527778 0.1527778 0.5000000), wk = 0.0026738 k( 350) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0026738 k( 351) = ( -0.1805556 0.1805556 0.5000000), wk = 0.0026738 k( 352) = ( -0.1944444 0.1944444 0.5000000), wk = 0.0026738 k( 353) = ( -0.2083333 0.2083333 0.5000000), wk = 0.0026738 k( 354) = ( -0.2222222 0.2222222 0.5000000), wk = 0.0026738 k( 355) = ( -0.2361111 0.2361111 0.5000000), wk = 0.0026738 k( 356) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0026738 k( 357) = ( -0.2638889 0.2638889 0.5000000), wk = 0.0026738 k( 358) = ( -0.2777778 0.2777778 0.5000000), wk = 0.0026738 k( 359) = ( -0.2916667 0.2916667 0.5000000), wk = 0.0026738 k( 360) = ( -0.3055556 0.3055556 0.5000000), wk = 0.0026738 k( 361) = ( -0.3194444 0.3194444 0.5000000), wk = 0.0026738 k( 362) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0026738 k( 363) = ( -0.3472222 0.3472222 0.5000000), wk = 0.0026738 k( 364) = ( -0.3611111 0.3611111 0.5000000), wk = 0.0026738 k( 365) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0026738 k( 366) = ( -0.3888889 0.3888889 0.5000000), wk = 0.0026738 k( 367) = ( -0.4027778 0.4027778 0.5000000), wk = 0.0026738 k( 368) = ( -0.4166667 0.4166667 0.5000000), wk = 0.0026738 k( 369) = ( -0.4305556 0.4305556 0.5000000), wk = 0.0026738 k( 370) = ( -0.4444444 0.4444444 0.5000000), wk = 0.0026738 k( 371) = ( -0.4583333 0.4583333 0.5000000), wk = 0.0026738 k( 372) = ( -0.4722222 0.4722222 0.5000000), wk = 0.0026738 k( 373) = ( -0.4861111 0.4861111 0.5000000), wk = 0.0026738 k( 374) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026738 Dense grid: 78351 G-vectors FFT dimensions: ( 60, 60, 54) Smooth grid: 34721 G-vectors FFT dimensions: ( 45, 45, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 188, 58) NL pseudopotentials 0.32 Mb ( 94, 220) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1635) G-vector shells 0.01 Mb ( 841) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.67 Mb ( 188, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.39 Mb ( 220, 2, 58) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./Si2N2O.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 50.9 secs Computing kpt #: 2 total cpu time spent up to now is 53.6 secs Computing kpt #: 3 total cpu time spent up to now is 56.2 secs Computing kpt #: 4 total cpu time spent up to now is 59.0 secs Computing kpt #: 5 total cpu time spent up to now is 61.5 secs Computing kpt #: 6 total cpu time spent up to now is 64.2 secs Computing kpt #: 7 total cpu time spent up to now is 66.6 secs Computing kpt #: 8 total cpu time spent up to now is 69.1 secs Computing kpt #: 9 total cpu time spent up to now is 71.4 secs Computing kpt #: 10 total cpu time spent up to now is 74.2 secs Computing kpt #: 11 total cpu time spent up to now is 76.6 secs Computing kpt #: 12 total cpu time spent up to now is 78.9 secs Computing kpt #: 13 total cpu time spent up to now is 82.4 secs Computing kpt #: 14 total cpu time spent up to now is 84.9 secs Computing kpt #: 15 total cpu time spent up to now is 87.7 secs Computing kpt #: 16 total cpu time spent up to now is 90.5 secs Computing kpt #: 17 total cpu time spent up to now is 93.0 secs Computing kpt #: 18 total cpu time spent up to now is 98.4 secs Computing kpt #: 19 total cpu time spent up to now is 101.7 secs Computing kpt #: 20 total cpu time spent up to now is 104.6 secs Computing kpt #: 21 total cpu time spent up to now is 107.8 secs Computing kpt #: 22 total cpu time spent up to now is 111.0 secs Computing kpt #: 23 total cpu time spent up to now is 116.0 secs Computing kpt #: 24 total cpu time spent up to now is 119.5 secs Computing kpt #: 25 total cpu time spent up to now is 123.6 secs Computing kpt #: 26 total cpu time spent up to now is 126.9 secs Computing kpt #: 27 total cpu time spent up to now is 131.1 secs Computing kpt #: 28 total cpu time spent up to now is 134.7 secs Computing kpt #: 29 total cpu time spent up to now is 137.8 secs Computing kpt #: 30 total cpu time spent up to now is 140.8 secs Computing kpt #: 31 total cpu time spent up to now is 144.6 secs Computing kpt #: 32 total cpu time spent up to now is 147.8 secs Computing kpt #: 33 total cpu time spent up to now is 151.1 secs Computing kpt #: 34 total cpu time spent up to now is 154.2 secs Computing kpt #: 35 total cpu time spent up to now is 158.3 secs Computing kpt #: 36 total cpu time spent up to now is 162.0 secs Computing kpt #: 37 total cpu time spent up to now is 165.4 secs Computing kpt #: 38 total cpu time spent up to now is 168.8 secs Computing kpt #: 39 total cpu time spent up to now is 172.2 secs Computing kpt #: 40 total cpu time spent up to now is 177.6 secs Computing kpt #: 41 total cpu time spent up to now is 181.4 secs Computing kpt #: 42 total cpu time spent up to now is 185.4 secs Computing kpt #: 43 total cpu time spent up to now is 189.4 secs Computing kpt #: 44 total cpu time spent up to now is 195.6 secs Computing kpt #: 45 total cpu time spent up to now is 199.2 secs Computing kpt #: 46 total cpu time spent up to now is 202.8 secs Computing kpt #: 47 total cpu time spent up to now is 207.2 secs Computing kpt #: 48 total cpu time spent up to now is 211.3 secs Computing kpt #: 49 total cpu time spent up to now is 214.9 secs Computing kpt #: 50 total cpu time spent up to now is 218.3 secs Computing kpt #: 51 total cpu time spent up to now is 222.9 secs Computing kpt #: 52 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 228.4 secs Computing kpt #: 53 total cpu time spent up to now is 233.6 secs Computing kpt #: 54 total cpu time spent up to now is 237.3 secs Computing kpt #: 55 total cpu time spent up to now is 240.6 secs Computing kpt #: 56 total cpu time spent up to now is 243.7 secs Computing kpt #: 57 total cpu time spent up to now is 246.4 secs Computing kpt #: 58 total cpu time spent up to now is 249.4 secs Computing kpt #: 59 total cpu time spent up to now is 252.1 secs Computing kpt #: 60 total cpu time spent up to now is 254.7 secs Computing kpt #: 61 total cpu time spent up to now is 257.7 secs Computing kpt #: 62 total cpu time spent up to now is 260.3 secs Computing kpt #: 63 total cpu time spent up to now is 262.8 secs Computing kpt #: 64 total cpu time spent up to now is 265.9 secs Computing kpt #: 65 total cpu time spent up to now is 268.4 secs Computing kpt #: 66 total cpu time spent up to now is 271.0 secs Computing kpt #: 67 total cpu time spent up to now is 273.6 secs Computing kpt #: 68 total cpu time spent up to now is 276.5 secs Computing kpt #: 69 total cpu time spent up to now is 279.3 secs Computing kpt #: 70 total cpu time spent up to now is 282.4 secs Computing kpt #: 71 total cpu time spent up to now is 285.4 secs Computing kpt #: 72 total cpu time spent up to now is 288.4 secs Computing kpt #: 73 total cpu time spent up to now is 291.7 secs Computing kpt #: 74 total cpu time spent up to now is 295.1 secs Computing kpt #: 75 total cpu time spent up to now is 298.8 secs Computing kpt #: 76 total cpu time spent up to now is 302.4 secs Computing kpt #: 77 total cpu time spent up to now is 306.4 secs Computing kpt #: 78 total cpu time spent up to now is 311.0 secs Computing kpt #: 79 total cpu time spent up to now is 315.5 secs Computing kpt #: 80 total cpu time spent up to now is 320.3 secs Computing kpt #: 81 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 325.9 secs Computing kpt #: 82 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 331.4 secs Computing kpt #: 83 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 336.8 secs Computing kpt #: 84 total cpu time spent up to now is 341.4 secs Computing kpt #: 85 total cpu time spent up to now is 345.0 secs Computing kpt #: 86 total cpu time spent up to now is 348.6 secs Computing kpt #: 87 total cpu time spent up to now is 351.8 secs Computing kpt #: 88 total cpu time spent up to now is 354.8 secs Computing kpt #: 89 total cpu time spent up to now is 357.8 secs Computing kpt #: 90 total cpu time spent up to now is 360.9 secs Computing kpt #: 91 total cpu time spent up to now is 363.9 secs Computing kpt #: 92 total cpu time spent up to now is 366.9 secs Computing kpt #: 93 total cpu time spent up to now is 369.6 secs Computing kpt #: 94 total cpu time spent up to now is 372.7 secs Computing kpt #: 95 total cpu time spent up to now is 375.4 secs Computing kpt #: 96 total cpu time spent up to now is 378.4 secs Computing kpt #: 97 total cpu time spent up to now is 382.1 secs Computing kpt #: 98 total cpu time spent up to now is 388.5 secs Computing kpt #: 99 total cpu time spent up to now is 391.8 secs Computing kpt #: 100 total cpu time spent up to now is 395.0 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 400.2 secs Computing kpt #: 102 total cpu time spent up to now is 403.8 secs Computing kpt #: 103 total cpu time spent up to now is 407.0 secs Computing kpt #: 104 total cpu time spent up to now is 410.3 secs Computing kpt #: 105 total cpu time spent up to now is 413.9 secs Computing kpt #: 106 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 419.6 secs Computing kpt #: 107 total cpu time spent up to now is 423.2 secs Computing kpt #: 108 total cpu time spent up to now is 426.6 secs Computing kpt #: 109 total cpu time spent up to now is 429.9 secs Computing kpt #: 110 total cpu time spent up to now is 433.2 secs Computing kpt #: 111 total cpu time spent up to now is 436.6 secs Computing kpt #: 112 total cpu time spent up to now is 439.7 secs Computing kpt #: 113 total cpu time spent up to now is 443.0 secs Computing kpt #: 114 total cpu time spent up to now is 446.4 secs Computing kpt #: 115 total cpu time spent up to now is 452.3 secs Computing kpt 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to now is 508.7 secs Computing kpt #: 130 total cpu time spent up to now is 512.0 secs Computing kpt #: 131 total cpu time spent up to now is 517.2 secs Computing kpt #: 132 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 522.1 secs Computing kpt #: 133 total cpu time spent up to now is 526.6 secs Computing kpt #: 134 total cpu time spent up to now is 530.9 secs Computing kpt #: 135 total cpu time spent up to now is 536.3 secs Computing kpt #: 136 total cpu time spent up to now is 541.4 secs Computing kpt #: 137 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 546.6 secs Computing kpt #: 138 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 551.5 secs Computing kpt #: 139 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 556.4 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 561.6 secs Computing kpt #: 141 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 566.7 secs Computing kpt #: 142 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 571.7 secs Computing kpt #: 143 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 576.6 secs Computing kpt #: 144 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 581.7 secs Computing kpt #: 145 total cpu time spent up to now is 585.5 secs Computing kpt #: 146 total cpu time spent up to now is 589.0 secs Computing kpt #: 147 total cpu time spent up to now is 592.4 secs Computing kpt #: 148 total cpu time spent up to now is 596.2 secs Computing kpt #: 149 total cpu time spent up to now is 599.4 secs Computing kpt #: 150 total cpu time spent up to now is 603.0 secs Computing kpt #: 151 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 607.7 secs Computing kpt #: 152 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 612.5 secs Computing kpt #: 153 total cpu time spent up to now is 616.0 secs Computing kpt #: 154 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 621.1 secs Computing kpt #: 155 total cpu time spent up to now is 625.8 secs Computing kpt #: 156 total cpu time spent up to now is 630.2 secs Computing kpt #: 157 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 635.8 secs Computing kpt #: 158 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 640.6 secs Computing kpt #: 159 total cpu time spent up to now is 643.0 secs Computing kpt #: 160 total cpu time spent up to now is 645.3 secs Computing kpt #: 161 total cpu time spent up to now is 647.5 secs Computing kpt #: 162 total cpu time spent up to now is 650.5 secs Computing kpt #: 163 total cpu time spent up to now is 653.4 secs Computing kpt #: 164 total cpu time spent up to now is 656.0 secs Computing kpt #: 165 total cpu time spent up to now is 658.9 secs Computing kpt #: 166 total cpu time spent up to now is 661.5 secs Computing kpt #: 167 total cpu time spent up to now is 664.2 secs Computing kpt #: 168 total cpu time spent up to now is 666.8 secs Computing kpt #: 169 total cpu time spent up to now is 669.8 secs Computing kpt #: 170 total cpu time spent up to now is 672.5 secs Computing kpt #: 171 total cpu time spent up to now is 675.6 secs Computing kpt #: 172 total cpu time spent up to now is 678.7 secs Computing kpt #: 173 total cpu time spent up to now is 681.7 secs Computing kpt #: 174 total cpu time spent up to now is 684.5 secs Computing kpt #: 175 total cpu time spent up to now is 688.6 secs Computing kpt #: 176 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 693.9 secs Computing kpt #: 177 total cpu time spent up to now is 696.5 secs Computing kpt #: 178 total cpu time spent up to now is 699.5 secs Computing kpt #: 179 total cpu time spent up to now is 702.2 secs Computing kpt #: 180 total cpu time spent up to now is 704.9 secs Computing kpt #: 181 total cpu time spent up to now is 707.7 secs Computing kpt #: 182 total cpu time spent up to now is 710.0 secs Computing kpt #: 183 total cpu time spent up to now is 713.0 secs Computing kpt #: 184 total cpu time spent up to now is 716.4 secs Computing kpt #: 185 total cpu time spent up to now is 722.3 secs Computing kpt #: 186 total cpu time spent up to now is 725.8 secs Computing kpt #: 187 total cpu time spent up to now is 729.6 secs Computing kpt #: 188 total cpu time spent up to now is 732.9 secs Computing kpt #: 189 total cpu time spent up to now is 735.8 secs Computing kpt #: 190 total cpu time spent up to now is 738.4 secs Computing kpt #: 191 total cpu time spent up to now is 741.0 secs Computing kpt #: 192 total cpu time spent up to now is 743.6 secs Computing kpt #: 193 total cpu time spent up to now is 746.3 secs Computing kpt #: 194 total cpu time spent up to now is 749.0 secs Computing kpt #: 195 total cpu time spent up to now is 751.6 secs Computing kpt #: 196 total cpu time spent up to now is 754.2 secs Computing kpt #: 197 total cpu time spent up to now is 757.1 secs Computing kpt #: 198 total cpu time spent up to now is 759.8 secs Computing kpt #: 199 total cpu time spent up to now is 762.5 secs Computing kpt #: 200 total cpu time spent up to now is 765.1 secs Computing kpt #: 201 total cpu time spent up to now is 767.7 secs Computing kpt #: 202 total cpu time spent up to now is 770.4 secs Computing kpt #: 203 total cpu time spent up to now is 773.0 secs Computing kpt #: 204 total cpu time spent up to now is 776.4 secs Computing kpt #: 205 total cpu time spent up to now is 779.1 secs Computing kpt #: 206 total cpu time spent up to now is 781.6 secs Computing kpt #: 207 total cpu time spent up to now is 784.2 secs Computing kpt #: 208 total cpu time spent up to now is 787.6 secs Computing kpt #: 209 total cpu time spent up to now is 790.9 secs Computing kpt #: 210 total cpu time spent up to now is 793.5 secs Computing kpt #: 211 total cpu time spent up to now is 796.2 secs Computing kpt #: 212 total cpu time spent up to now is 799.2 secs Computing kpt #: 213 total cpu time spent up to now is 802.0 secs Computing kpt #: 214 total cpu time spent up to now is 805.0 secs Computing kpt #: 215 total cpu time spent up to now is 809.2 secs Computing kpt #: 216 total cpu time spent up to now is 812.5 secs Computing kpt #: 217 total cpu time spent up to now is 815.2 secs Computing kpt #: 218 total cpu time spent up to now is 818.0 secs Computing kpt #: 219 total cpu time spent up to now is 821.0 secs Computing kpt #: 220 total cpu time spent up to now is 824.1 secs Computing kpt #: 221 total cpu time spent up to now is 826.9 secs Computing kpt #: 222 total cpu time spent up to now is 829.7 secs Computing kpt #: 223 total cpu time spent up to now is 832.4 secs Computing kpt #: 224 total cpu time spent up to now is 835.3 secs Computing kpt #: 225 total cpu time spent up to now is 838.0 secs Computing kpt #: 226 total cpu time spent up to now is 840.5 secs Computing kpt #: 227 total cpu time spent up to now is 843.1 secs Computing kpt #: 228 total cpu time spent up to now is 846.4 secs Computing kpt #: 229 total cpu time spent up to now is 849.5 secs Computing kpt #: 230 total cpu time spent up to now is 852.1 secs Computing kpt #: 231 total cpu time spent up to now is 854.6 secs Computing kpt #: 232 total cpu time spent up to now is 857.2 secs Computing kpt #: 233 total cpu time spent up to now is 859.8 secs Computing kpt #: 234 total cpu time spent up to now is 862.5 secs Computing kpt #: 235 total cpu time spent up to now is 865.1 secs Computing kpt #: 236 total cpu time spent up to now is 867.9 secs Computing kpt #: 237 total cpu time spent up to now is 870.8 secs Computing kpt #: 238 total cpu time spent up to now is 873.7 secs Computing kpt #: 239 total cpu time spent up to now is 878.0 secs Computing kpt #: 240 total cpu time spent up to now is 882.2 secs Computing kpt #: 241 total cpu time spent up to now is 886.4 secs Computing kpt #: 242 total cpu time spent up to now is 889.5 secs Computing kpt #: 243 total cpu time spent up to now is 892.5 secs Computing kpt #: 244 total cpu time spent up to now is 895.8 secs Computing kpt #: 245 total cpu time spent up to now is 899.1 secs Computing kpt #: 246 total cpu time spent up to now is 902.0 secs Computing kpt #: 247 total cpu time spent up to now is 904.8 secs Computing kpt #: 248 total cpu time spent up to now is 907.6 secs Computing kpt #: 249 total cpu time spent up to now is 910.8 secs Computing kpt #: 250 total cpu time spent up to now is 914.5 secs Computing kpt #: 251 total cpu time spent up to now is 917.9 secs Computing kpt #: 252 total cpu time spent up to now is 921.7 secs Computing kpt #: 253 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 927.2 secs Computing kpt #: 254 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 933.3 secs Computing kpt #: 255 total cpu time spent up to now is 936.7 secs Computing kpt #: 256 total cpu time spent up to now is 940.1 secs Computing kpt #: 257 total cpu time spent up to now is 943.6 secs Computing kpt #: 258 total cpu time spent up to now is 946.2 secs Computing kpt #: 259 total cpu time spent up to now is 949.5 secs Computing kpt #: 260 total cpu time spent up to now is 952.1 secs Computing kpt #: 261 total cpu time spent up to now is 954.7 secs Computing kpt #: 262 total cpu time spent up to now is 957.6 secs Computing kpt #: 263 total cpu time spent up to now is 960.0 secs Computing kpt #: 264 total cpu time spent up to now is 962.5 secs Computing kpt #: 265 total cpu time spent up to now is 964.9 secs Computing kpt #: 266 total cpu time spent up to now is 967.4 secs Computing kpt #: 267 total cpu time spent up to now is 970.0 secs Computing kpt #: 268 total cpu time spent up to now is 972.5 secs Computing kpt #: 269 total cpu time spent up to now is 974.9 secs Computing kpt #: 270 total cpu time spent up to now is 977.3 secs Computing kpt #: 271 total cpu time spent up to now is 980.4 secs Computing kpt #: 272 total cpu time spent up to now is 982.9 secs Computing kpt #: 273 total cpu time spent up to now is 985.6 secs Computing kpt #: 274 total cpu time spent up to now is 988.3 secs Computing kpt #: 275 total cpu time spent up to now is 990.7 secs Computing kpt #: 276 total cpu time spent up to now is 993.1 secs Computing kpt #: 277 total cpu time spent up to now is 996.5 secs Computing kpt #: 278 total cpu time spent up to now is 999.4 secs Computing kpt #: 279 total cpu time spent up to now is 1001.8 secs Computing kpt #: 280 total cpu time spent up to now is 1005.1 secs Computing kpt #: 281 total cpu time spent up to now is 1008.3 secs Computing kpt #: 282 total cpu time spent up to now is 1011.0 secs Computing kpt #: 283 total cpu time spent up to now is 1014.2 secs Computing kpt #: 284 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1019.2 secs Computing kpt #: 285 total cpu time spent up to now is 1023.8 secs Computing kpt #: 286 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1029.0 secs Computing kpt #: 287 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1034.2 secs Computing kpt #: 288 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1039.4 secs Computing kpt #: 289 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1044.4 secs Computing kpt #: 290 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1049.2 secs Computing kpt #: 291 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1054.2 secs Computing kpt #: 292 total cpu time spent up to now is 1059.1 secs Computing kpt #: 293 total cpu time spent up to now is 1062.6 secs Computing kpt #: 294 total cpu time spent up to now is 1066.3 secs Computing kpt #: 295 total cpu time spent up to now is 1068.7 secs Computing kpt #: 296 total cpu time spent up to now is 1071.0 secs Computing kpt #: 297 total cpu time spent up to now is 1073.3 secs Computing kpt #: 298 total cpu time spent up to now is 1075.5 secs Computing kpt #: 299 total cpu time spent up to now is 1077.8 secs Computing kpt #: 300 total cpu time spent up to now is 1080.1 secs Computing kpt #: 301 total cpu time spent up to now is 1082.3 secs Computing kpt #: 302 total cpu time spent up to now is 1084.9 secs Computing kpt #: 303 total cpu time spent up to now is 1087.2 secs Computing kpt #: 304 total cpu time spent up to now is 1089.4 secs Computing kpt #: 305 total cpu time spent up to now is 1092.2 secs Computing kpt #: 306 total cpu time spent up to now is 1094.8 secs Computing kpt #: 307 total cpu time spent up to now is 1097.6 secs Computing kpt #: 308 total cpu time spent up to now is 1100.2 secs Computing kpt #: 309 total cpu time spent up to now is 1102.8 secs Computing kpt #: 310 total cpu time spent up to now is 1106.1 secs Computing kpt #: 311 total cpu time spent up to now is 1110.0 secs Computing kpt #: 312 total cpu time spent up to now is 1112.8 secs Computing kpt #: 313 total cpu time spent up to now is 1115.5 secs Computing kpt #: 314 total cpu time spent up to now is 1117.8 secs Computing kpt #: 315 total cpu time spent up to now is 1120.1 secs Computing kpt #: 316 total cpu time spent up to now is 1122.5 secs Computing kpt #: 317 total cpu time spent up to now is 1124.7 secs Computing kpt #: 318 total cpu time spent up to now is 1127.0 secs Computing kpt #: 319 total cpu time spent up to now is 1129.4 secs Computing kpt #: 320 total cpu time spent up to now is 1131.7 secs Computing kpt #: 321 total cpu time spent up to now is 1134.1 secs Computing kpt #: 322 total cpu time spent up to now is 1137.8 secs Computing kpt #: 323 total cpu time spent up to now is 1140.8 secs Computing kpt #: 324 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1145.9 secs Computing kpt #: 325 total cpu time spent up to now is 1149.2 secs Computing kpt #: 326 total cpu time spent up to now is 1151.8 secs Computing kpt #: 327 total cpu time spent up to now is 1154.6 secs Computing kpt #: 328 total cpu time spent up to now is 1157.3 secs Computing kpt #: 329 total cpu time spent up to now is 1160.2 secs Computing kpt #: 330 total cpu time spent up to now is 1163.1 secs Computing kpt #: 331 total cpu time spent up to now is 1166.0 secs Computing kpt #: 332 total cpu time spent up to now is 1169.0 secs Computing kpt #: 333 total cpu time spent up to now is 1171.6 secs Computing kpt #: 334 total cpu time spent up to now is 1174.3 secs Computing kpt #: 335 total cpu time spent up to now is 1177.2 secs Computing kpt #: 336 total cpu time spent up to now is 1179.9 secs Computing kpt #: 337 total cpu time spent up to now is 1182.4 secs Computing kpt #: 338 total cpu time spent up to now is 1184.7 secs Computing kpt #: 339 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1189.7 secs Computing kpt #: 340 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1194.8 secs Computing kpt #: 341 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1199.8 secs Computing kpt #: 342 total cpu time spent up to now is 1204.3 secs Computing kpt #: 343 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1209.3 secs Computing kpt #: 344 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1214.4 secs Computing kpt #: 345 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1219.4 secs Computing kpt #: 346 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1224.7 secs Computing kpt #: 347 total cpu time spent up to now is 1228.1 secs Computing kpt #: 348 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1233.0 secs Computing kpt #: 349 total cpu time spent up to now is 1236.2 secs Computing kpt #: 350 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1241.2 secs Computing kpt #: 351 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1246.1 secs Computing kpt #: 352 total cpu time spent up to now is 1250.7 secs Computing kpt #: 353 total cpu time spent up to now is 1254.2 secs Computing kpt #: 354 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1259.3 secs Computing kpt #: 355 total cpu time spent up to now is 1262.5 secs Computing kpt #: 356 total cpu time spent up to now is 1267.0 secs Computing kpt #: 357 total cpu time spent up to now is 1270.8 secs Computing kpt #: 358 total cpu time spent up to now is 1274.0 secs Computing kpt #: 359 total cpu time spent up to now is 1277.2 secs Computing kpt #: 360 total cpu time spent up to now is 1281.7 secs Computing kpt #: 361 total cpu time spent up to now is 1286.2 secs Computing kpt #: 362 total cpu time spent up to now is 1289.4 secs Computing kpt #: 363 total cpu time spent up to now is 1293.2 secs Computing kpt #: 364 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1298.1 secs Computing kpt #: 365 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1304.1 secs Computing kpt #: 366 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1309.4 secs Computing kpt #: 367 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1314.5 secs Computing kpt #: 368 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1319.8 secs Computing kpt #: 369 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1325.0 secs Computing kpt #: 370 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1329.9 secs Computing kpt #: 371 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1334.8 secs Computing kpt #: 372 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1339.6 secs Computing kpt #: 373 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1345.0 secs Computing kpt #: 374 total cpu time spent up to now is 1347.2 secs ethr = 2.08E-11, avg # of iterations = 58.0 total cpu time spent up to now is 1347.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4319 PWs) bands (ev): -13.6910 -13.6910 -13.1080 -13.1080 -10.8310 -10.8310 -9.1726 -9.1726 -9.0060 -9.0060 -8.9281 -8.9281 -3.5018 -3.5018 -3.2313 -3.2313 -2.9566 -2.9566 -0.7590 -0.7590 -0.0804 -0.0804 -0.0786 -0.0786 0.3116 0.3116 0.9598 0.9598 1.5106 1.5106 2.1889 2.1889 2.7023 2.7023 3.3656 3.3656 3.5184 3.5184 3.7549 3.7549 3.8204 3.8204 4.3756 4.3756 4.6049 4.6049 5.4375 5.4375 10.6959 10.6959 12.0384 12.0384 12.0775 12.0775 12.9155 12.9155 13.5291 13.5291 k = 0.0086 0.0140-0.0000 ( 4319 PWs) bands (ev): -13.6907 -13.6907 -13.1080 -13.1080 -10.8304 -10.8304 -9.1907 -9.1880 -8.9928 -8.9896 -8.9278 -8.9275 -3.5068 -3.5066 -3.2242 -3.2235 -2.9558 -2.9556 -0.7595 -0.7588 -0.0817 -0.0813 -0.0801 -0.0798 0.3097 0.3106 0.9647 0.9665 1.5091 1.5099 2.1868 2.1878 2.7020 2.7025 3.3634 3.3640 3.5186 3.5186 3.7531 3.7551 3.8169 3.8189 4.3758 4.3759 4.6045 4.6048 5.4366 5.4370 10.6989 10.6990 12.0404 12.0408 12.0780 12.0782 12.9151 12.9161 13.5284 13.5298 k = 0.0173 0.0279-0.0000 ( 4321 PWs) bands (ev): -13.6897 -13.6897 -13.1081 -13.1081 -10.8286 -10.8286 -9.2306 -9.2268 -8.9600 -8.9552 -8.9267 -8.9261 -3.5200 -3.5197 -3.2035 -3.2023 -2.9530 -2.9526 -0.7604 -0.7590 -0.0850 -0.0842 -0.0840 -0.0835 0.3055 0.3072 0.9809 0.9844 1.5054 1.5070 2.1815 2.1834 2.7016 2.7027 3.3575 3.3587 3.5192 3.5192 3.7494 3.7538 3.8083 3.8128 4.3764 4.3766 4.6036 4.6041 5.4345 5.4352 10.7081 10.7081 12.0468 12.0476 12.0796 12.0802 12.9149 12.9168 13.5275 13.5303 k = 0.0259 0.0419-0.0000 ( 4319 PWs) bands (ev): -13.6880 -13.6880 -13.1083 -13.1083 -10.8257 -10.8256 -9.2804 -9.2763 -8.9256 -8.9240 -8.9195 -8.9146 -3.5382 -3.5380 -3.1725 -3.1710 -2.9483 -2.9477 -0.7619 -0.7598 -0.0908 -0.0899 -0.0899 -0.0888 0.3001 0.3024 1.0072 1.0123 1.4995 1.5018 2.1730 2.1757 2.7011 2.7027 3.3481 3.3499 3.5201 3.5202 3.7432 3.7508 3.7950 3.8028 4.3774 4.3777 4.6020 4.6028 5.4311 5.4321 10.7232 10.7232 12.0575 12.0587 12.0825 12.0833 12.9150 12.9179 13.5254 13.5294 k = 0.0346 0.0559-0.0000 ( 4311 PWs) bands (ev): -13.6858 -13.6857 -13.1085 -13.1085 -10.8216 -10.8215 -9.3350 -9.3310 -8.9222 -8.9208 -8.8792 -8.8732 -3.5586 -3.5584 -3.1343 -3.1324 -2.9416 -2.9408 -0.7645 -0.7615 -0.0990 -0.0979 -0.0973 -0.0958 0.2950 0.2977 1.0422 1.0485 1.4915 1.4945 2.1612 2.1649 2.7005 2.7026 3.3355 3.3380 3.5215 3.5216 3.7329 3.7450 3.7781 3.7904 4.3789 4.3792 4.5997 4.6008 5.4265 5.4279 10.7441 10.7443 12.0723 12.0739 12.0865 12.0876 12.9156 12.9193 13.5208 13.5258 k = 0.0432 0.0698-0.0000 ( 4317 PWs) bands (ev): -13.6828 -13.6828 -13.1088 -13.1087 -10.8162 -10.8161 -9.3926 -9.3886 -8.9185 -8.9169 -8.8390 -8.8327 -3.5791 -3.5791 -3.0909 -3.0887 -2.9330 -2.9320 -0.7685 -0.7647 -0.1084 -0.1073 -0.1066 -0.1048 0.2915 0.2944 1.0842 1.0915 1.4811 1.4849 2.1462 2.1507 2.6995 2.7023 3.3201 3.3232 3.5232 3.5234 3.7168 3.7324 3.7617 3.7777 4.3808 4.3812 4.5965 4.5978 5.4209 5.4226 10.7708 10.7710 12.0903 12.0921 12.0925 12.0934 12.9170 12.9214 13.5123 13.5180 k = 0.0519 0.0838-0.0000 ( 4313 PWs) bands (ev): -13.6793 -13.6792 -13.1091 -13.1091 -10.8097 -10.8096 -9.4520 -9.4482 -8.9141 -8.9122 -8.8006 -8.7939 -3.5987 -3.5985 -3.0436 -3.0412 -2.9226 -2.9213 -0.7745 -0.7699 -0.1187 -0.1174 -0.1169 -0.1157 0.2906 0.2936 1.1317 1.1399 1.4685 1.4730 2.1281 2.1333 2.6982 2.7016 3.3024 3.3062 3.5254 3.5256 3.6932 3.7083 3.7509 3.7665 4.3832 4.3837 4.5920 4.5935 5.4144 5.4165 10.8030 10.8032 12.0974 12.0992 12.1132 12.1155 12.9195 12.9245 13.4988 13.5050 k = 0.0605 0.0978-0.0000 ( 4311 PWs) bands (ev): -13.6751 -13.6751 -13.1095 -13.1095 -10.8020 -10.8019 -9.5129 -9.5093 -8.9089 -8.9067 -8.7644 -8.7574 -3.6164 -3.6161 -2.9935 -2.9908 -2.9102 -2.9088 -0.7831 -0.7778 -0.1320 -0.1293 -0.1261 -0.1251 0.2929 0.2960 1.1834 1.1923 1.4536 1.4588 2.1067 2.1127 2.6964 2.7005 3.2830 3.2873 3.5281 3.5284 3.6625 3.6754 3.7432 3.7568 4.3860 4.3866 4.5861 4.5878 5.4072 5.4096 10.8404 10.8407 12.1042 12.1063 12.1386 12.1413 12.9232 12.9287 13.4803 13.4865 k = 0.0691 0.1117-0.0000 ( 4303 PWs) bands (ev): -13.6704 -13.6703 -13.1099 -13.1099 -10.7931 -10.7929 -9.5749 -9.5715 -8.9029 -8.9004 -8.7307 -8.7235 -3.6319 -3.6313 -2.9410 -2.9382 -2.8959 -2.8942 -0.7949 -0.7888 -0.1477 -0.1447 -0.1322 -0.1313 0.2987 0.3018 1.2382 1.2477 1.4364 1.4422 2.0822 2.0889 2.6941 2.6990 3.2623 3.2673 3.5312 3.5317 3.6257 3.6366 3.7361 3.7480 4.3893 4.3900 4.5785 4.5803 5.3993 5.4021 10.8828 10.8831 12.1117 12.1141 12.1668 12.1700 12.9287 12.9346 13.4574 13.4635 k = 0.0778 0.1257-0.0000 ( 4307 PWs) bands (ev): -13.6650 -13.6650 -13.1104 -13.1104 -10.7830 -10.7828 -9.6378 -9.6345 -8.8962 -8.8934 -8.6998 -8.6923 -3.6448 -3.6441 -2.8867 -2.8838 -2.8796 -2.8778 -0.8103 -0.8035 -0.1658 -0.1623 -0.1347 -0.1340 0.3080 0.3111 1.2954 1.3054 1.4168 1.4232 2.0546 2.0619 2.6910 2.6968 3.2408 3.2465 3.5344 3.5355 3.5843 3.5932 3.7288 3.7395 4.3931 4.3939 4.5689 4.5709 5.3911 5.3942 10.9298 10.9301 12.1197 12.1224 12.1976 12.2012 12.9361 12.9422 13.4313 13.4373 k = 0.0864 0.1397-0.0000 ( 4307 PWs) bands (ev): -13.6591 -13.6591 -13.1110 -13.1110 -10.7717 -10.7714 -9.7012 -9.6981 -8.8888 -8.8857 -8.6718 -8.6641 -3.6550 -3.6541 -2.8616 -2.8596 -2.8308 -2.8278 -0.8295 -0.8220 -0.1862 -0.1823 -0.1329 -0.1323 0.3208 0.3240 1.3541 1.3643 1.3949 1.4018 2.0239 2.0318 2.6872 2.6938 3.2191 3.2254 3.5296 3.5379 3.5473 3.5481 3.7209 3.7308 4.3974 4.3983 4.5571 4.5592 5.3824 5.3859 10.9811 10.9815 12.1280 12.1310 12.2306 12.2346 12.9457 12.9519 13.4035 13.4091 k = 0.0951 0.1536-0.0000 ( 4311 PWs) bands (ev): -13.6527 -13.6526 -13.1116 -13.1116 -10.7592 -10.7589 -9.7650 -9.7621 -8.8806 -8.8772 -8.6467 -8.6389 -3.6624 -3.6613 -2.8416 -2.8394 -2.7739 -2.7707 -0.8523 -0.8442 -0.2089 -0.2047 -0.1262 -0.1257 0.3371 0.3404 1.3699 1.3776 1.4139 1.4248 1.9904 1.9988 2.6826 2.6901 3.1974 3.2044 3.4853 3.4946 3.5461 3.5471 3.7126 3.7218 4.4022 4.4031 4.5430 4.5452 5.3735 5.3773 11.0363 11.0369 12.1365 12.1399 12.2655 12.2699 12.9577 12.9639 13.3751 13.3804 k = 0.1037 0.1676-0.0000 ( 4313 PWs) bands (ev): -13.6457 -13.6456 -13.1123 -13.1123 -10.7454 -10.7451 -9.8291 -9.8263 -8.8718 -8.8681 -8.6247 -8.6166 -3.6671 -3.6658 -2.8198 -2.8174 -2.7161 -2.7128 -0.8785 -0.8699 -0.2340 -0.2294 -0.1146 -0.1142 0.3568 0.3601 1.3428 1.3509 1.4741 1.4852 1.9542 1.9630 2.6770 2.6854 3.1760 3.1836 3.4335 3.4418 3.5520 3.5526 3.7036 3.7124 4.4075 4.4086 4.5265 4.5287 5.3643 5.3684 11.0951 11.0958 12.1449 12.1486 12.3020 12.3068 12.9721 12.9781 13.3472 13.3522 k = 0.1124 0.1816-0.0000 ( 4313 PWs) bands (ev): -13.6383 -13.6382 -13.1130 -13.1130 -10.7304 -10.7300 -9.8932 -9.8906 -8.8623 -8.8584 -8.6056 -8.5975 -3.6690 -3.6677 -2.7961 -2.7935 -2.6577 -2.6543 -0.9074 -0.8985 -0.2617 -0.2567 -0.0980 -0.0977 0.3797 0.3833 1.3129 1.3215 1.5344 1.5458 1.9155 1.9247 2.6705 2.6797 3.1548 3.1629 3.3797 3.3875 3.5590 3.5594 3.6941 3.7026 4.4135 4.4146 4.5074 4.5097 5.3549 5.3593 11.1571 11.1579 12.1531 12.1572 12.3400 12.3451 12.9886 12.9943 13.3210 13.3255 k = 0.1210 0.1956-0.0000 ( 4301 PWs) bands (ev): -13.6304 -13.6303 -13.1138 -13.1137 -10.7142 -10.7137 -9.9574 -9.9549 -8.8523 -8.8480 -8.5896 -8.5813 -3.6684 -3.6669 -2.7706 -2.7678 -2.5988 -2.5953 -0.9385 -0.9293 -0.2918 -0.2864 -0.0769 -0.0766 0.4060 0.4097 1.2801 1.2893 1.5944 1.6061 1.8745 1.8842 2.6630 2.6731 3.1334 3.1420 3.3253 3.3328 3.5669 3.5673 3.6840 3.6923 4.4200 4.4211 4.4858 4.4882 5.3451 5.3498 11.2219 11.2228 12.1608 12.1653 12.3794 12.3848 13.0070 13.0121 13.2974 13.3015 k = 0.1296 0.2095-0.0000 ( 4309 PWs) bands (ev): -13.6220 -13.6220 -13.1146 -13.1145 -10.6967 -10.6962 -10.0213 -10.0190 -8.8416 -8.8371 -8.5766 -8.5682 -3.6654 -3.6638 -2.7433 -2.7403 -2.5397 -2.5362 -0.9710 -0.9616 -0.3245 -0.3188 -0.0518 -0.0514 0.4355 0.4394 1.2445 1.2540 1.6539 1.6658 1.8317 1.8416 2.6545 2.6654 3.1106 3.1195 3.2724 3.2797 3.5758 3.5763 3.6734 3.6816 4.4270 4.4283 4.4618 4.4643 5.3350 5.3400 11.2890 11.2900 12.1679 12.1728 12.4200 12.4258 13.0261 13.0305 13.2780 13.2813 k = 0.1383 0.2235-0.0000 ( 4309 PWs) bands (ev): -13.6133 -13.6132 -13.1154 -13.1154 -10.6779 -10.6774 -10.0849 -10.0828 -8.8305 -8.8257 -8.5665 -8.5580 -3.6603 -3.6586 -2.7142 -2.7110 -2.4806 -2.4771 -1.0042 -0.9948 -0.3597 -0.3537 -0.0232 -0.0227 0.4684 0.4725 1.2058 1.2157 1.7124 1.7246 1.7872 1.7975 2.6451 2.6568 3.0841 3.0930 3.2239 3.2314 3.5859 3.5864 3.6624 3.6704 4.4347 4.4350 4.4365 4.4381 5.3243 5.3296 11.3581 11.3593 12.1743 12.1795 12.4619 12.4679 13.0444 13.0477 13.2645 13.2669 k = 0.1469 0.2375-0.0000 ( 4301 PWs) bands (ev): -13.6042 -13.6041 -13.1163 -13.1162 -10.6579 -10.6574 -10.1482 -10.1462 -8.8189 -8.8139 -8.5592 -8.5506 -3.6531 -3.6514 -2.6833 -2.6799 -2.4217 -2.4181 -1.0375 -1.0280 -0.3976 -0.3912 0.0085 0.0090 0.5045 0.5088 1.1639 1.1742 1.7414 1.7522 1.7701 1.7823 2.6349 2.6472 3.0507 3.0592 3.1835 3.1916 3.5971 3.5977 3.6511 3.6588 4.4069 4.4094 4.4432 4.4445 5.3131 5.3186 11.4287 11.4301 12.1797 12.1853 12.5048 12.5112 13.0596 13.0616 13.2595 13.2608 k = 0.1556 0.2514-0.0000 ( 4299 PWs) bands (ev): -13.5948 -13.5947 -13.1172 -13.1171 -10.6367 -10.6361 -10.2109 -10.2090 -8.8070 -8.8016 -8.5545 -8.5460 -3.6443 -3.6425 -2.6506 -2.6471 -2.3631 -2.3595 -1.0704 -1.0609 -0.4381 -0.4313 0.0426 0.0433 0.5440 0.5486 1.1188 1.1293 1.6951 1.7060 1.8262 1.8386 2.6238 2.6368 3.0083 3.0162 3.1536 3.1624 3.6090 3.6102 3.6399 3.6471 4.3763 4.3789 4.4522 4.4536 5.3011 5.3068 11.5006 11.5022 12.1842 12.1902 12.5487 12.5553 13.0695 13.0701 13.2651 13.2652 k = 0.1642 0.2654-0.0000 ( 4303 PWs) bands (ev): -13.5851 -13.5850 -13.1181 -13.1181 -10.6141 -10.6135 -10.2730 -10.2713 -8.7946 -8.7890 -8.5525 -8.5439 -3.6341 -3.6322 -2.6162 -2.6125 -2.3050 -2.3014 -1.1023 -1.0928 -0.4811 -0.4740 0.0788 0.0796 0.5867 0.5916 1.0702 1.0810 1.6482 1.6593 1.8808 1.8935 2.6121 2.6255 2.9589 2.9662 3.1327 3.1421 3.6181 3.6227 3.6327 3.6364 4.3439 4.3465 4.4620 4.4634 5.2882 5.2942 11.5732 11.5750 12.1877 12.1941 12.5930 12.6000 13.0732 13.0737 13.2809 13.2817 k = 0.1729 0.2794-0.0000 ( 4307 PWs) bands (ev): -13.5751 -13.5750 -13.1190 -13.1190 -10.5903 -10.5896 -10.3344 -10.3328 -8.7820 -8.7762 -8.5529 -8.5443 -3.6227 -3.6209 -2.5801 -2.5762 -2.2475 -2.2441 -1.1326 -1.1232 -0.5266 -0.5193 0.1166 0.1175 0.6328 0.6380 1.0182 1.0291 1.6012 1.6126 1.9339 1.9467 2.5996 2.6135 2.9056 2.9127 3.1178 3.1277 3.6112 3.6199 3.6423 3.6427 4.3098 4.3124 4.4724 4.4739 5.2744 5.2806 11.6464 11.6484 12.1902 12.1970 12.6371 12.6444 13.0733 13.0744 13.3060 13.3073 k = 0.1815 0.2933-0.0000 ( 4315 PWs) bands (ev): -13.5649 -13.5648 -13.1200 -13.1200 -10.5652 -10.5645 -10.3950 -10.3935 -8.7692 -8.7631 -8.5556 -8.5470 -3.6106 -3.6088 -2.5424 -2.5383 -2.1909 -2.1875 -1.1611 -1.1517 -0.5745 -0.5669 0.1556 0.1567 0.6821 0.6876 0.9626 0.9736 1.5546 1.5662 1.9851 1.9981 2.5865 2.6006 2.8513 2.8582 3.1067 3.1167 3.5993 3.6079 3.6589 3.6591 4.2742 4.2769 4.4837 4.4852 5.2596 5.2660 11.7196 11.7218 12.1918 12.1990 12.6795 12.6872 13.0741 13.0755 13.3379 13.3394 k = 0.1901 0.3073-0.0000 ( 4313 PWs) bands (ev): -13.5546 -13.5545 -13.1209 -13.1209 -10.5389 -10.5381 -10.4547 -10.4533 -8.7562 -8.7499 -8.5604 -8.5519 -3.5981 -3.5962 -2.5030 -2.4987 -2.1353 -2.1320 -1.1872 -1.1779 -0.6247 -0.6169 0.1955 0.1968 0.7346 0.7404 0.9035 0.9145 1.5085 1.5203 2.0345 2.0476 2.5725 2.5868 2.7975 2.8043 3.0978 3.1079 3.5867 3.5952 3.6778 3.6778 4.2373 4.2400 4.4957 4.4972 5.2437 5.2502 11.7927 11.7952 12.1926 12.2001 12.7182 12.7262 13.0796 13.0810 13.3742 13.3755 k = 0.1988 0.3213-0.0000 ( 4317 PWs) bands (ev): -13.5441 -13.5440 -13.1219 -13.1219 -10.5139 -10.5123 -10.5109 -10.5103 -8.7432 -8.7366 -8.5671 -8.5587 -3.5854 -3.5835 -2.4620 -2.4575 -2.0808 -2.0776 -1.2107 -1.2015 -0.6770 -0.6689 0.2360 0.2375 0.7901 0.7963 0.8408 0.8518 1.4633 1.4752 2.0820 2.0952 2.5573 2.5717 2.7458 2.7524 3.0903 3.1004 3.5739 3.5824 3.6984 3.6985 4.1994 4.2021 4.5085 4.5101 5.2266 5.2333 11.8654 11.8681 12.1926 12.2006 12.7502 12.7584 13.0936 13.0951 13.4130 13.4141 k = 0.2074 0.3352-0.0000 ( 4325 PWs) bands (ev): -13.5335 -13.5334 -13.1229 -13.1228 -10.5713 -10.5701 -10.4823 -10.4814 -8.7302 -8.7234 -8.5757 -8.5673 -3.5728 -3.5710 -2.4194 -2.4148 -2.0277 -2.0246 -1.2312 -1.2222 -0.7312 -0.7229 0.2769 0.2785 0.7747 0.7856 0.8485 0.8550 1.4190 1.4310 2.1274 2.1408 2.5405 2.5545 2.6974 2.7037 3.0837 3.0936 3.5612 3.5696 3.7209 3.7211 4.1605 4.1632 4.5221 4.5237 5.2083 5.2151 11.9374 11.9404 12.1921 12.2005 12.7732 12.7812 13.1192 13.1209 13.4529 13.4537 k = 0.2161 0.3492-0.0000 ( 4321 PWs) bands (ev): -13.5228 -13.5227 -13.1238 -13.1238 -10.6279 -10.6268 -10.4522 -10.4512 -8.7173 -8.7103 -8.5858 -8.5776 -3.5607 -3.5589 -2.3754 -2.3706 -1.9760 -1.9730 -1.2485 -1.2396 -0.7870 -0.7785 0.3179 0.3197 0.7053 0.7160 0.9095 0.9163 1.3759 1.3879 2.1709 2.1844 2.5210 2.5341 2.6541 2.6596 3.0774 3.0871 3.5488 3.5571 3.7452 3.7455 4.1209 4.1236 4.5366 4.5382 5.1889 5.1958 12.0087 12.0119 12.1912 12.2000 12.7861 12.7938 13.1576 13.1597 13.4929 13.4935 k = 0.2247 0.3632-0.0000 ( 4317 PWs) bands (ev): -13.5121 -13.5120 -13.1247 -13.1247 -10.6834 -10.6824 -10.4207 -10.4197 -8.7046 -8.6974 -8.5974 -8.5893 -3.5493 -3.5476 -2.3299 -2.3249 -1.9259 -1.9231 -1.2624 -1.2536 -0.8442 -0.8356 0.3588 0.3608 0.6327 0.6432 0.9729 0.9801 1.3339 1.3460 2.2124 2.2260 2.4975 2.5089 2.6178 2.6217 3.0711 3.0805 3.5367 3.5449 3.7714 3.7717 4.0808 4.0835 4.5519 4.5536 5.1682 5.1753 12.0788 12.0824 12.1900 12.1992 12.7901 12.7974 13.2073 13.2099 13.5319 13.5325 k = 0.2334 0.3771-0.0000 ( 4313 PWs) bands (ev): -13.5015 -13.5013 -13.1256 -13.1256 -10.7377 -10.7368 -10.3881 -10.3870 -8.6922 -8.6848 -8.6103 -8.6023 -3.5389 -3.5372 -2.2831 -2.2780 -1.8776 -1.8749 -1.2725 -1.2638 -0.9025 -0.8937 0.3995 0.4017 0.5571 0.5674 1.0385 1.0460 1.2930 1.3051 2.2520 2.2657 2.4692 2.4780 2.5895 2.5911 3.0645 3.0734 3.5251 3.5333 3.7994 3.7999 4.0403 4.0430 4.5680 4.5698 5.1465 5.1536 12.1477 12.1515 12.1888 12.1984 12.7876 12.7945 13.2659 13.2691 13.5645 13.5701 k = 0.2420 0.3911-0.0000 ( 4313 PWs) bands (ev): -13.4909 -13.4907 -13.1265 -13.1265 -10.7907 -10.7898 -10.3542 -10.3530 -8.6802 -8.6727 -8.6243 -8.6164 -3.5296 -3.5280 -2.2350 -2.2297 -1.8312 -1.8287 -1.2788 -1.2703 -0.9614 -0.9525 0.4397 0.4421 0.4789 0.4889 1.1059 1.1137 1.2531 1.2653 2.2898 2.3036 2.4367 2.4430 2.5675 2.5681 3.0573 3.0657 3.5142 3.5222 3.8293 3.8298 3.9996 4.0022 4.5850 4.5869 5.1236 5.1308 12.1875 12.1974 12.2152 12.2193 12.7809 12.7874 13.3309 13.3345 13.5246 13.5352 k = 0.2506 0.4051-0.0000 ( 4313 PWs) bands (ev): -13.4804 -13.4802 -13.1273 -13.1273 -10.8424 -10.8416 -10.3191 -10.3178 -8.6688 -8.6610 -8.6392 -8.6315 -3.5217 -3.5200 -2.1858 -2.1803 -1.7869 -1.7847 -1.2812 -1.2728 -1.0207 -1.0117 0.3983 0.4080 0.4793 0.4819 1.1748 1.1830 1.2143 1.2265 2.3258 2.3398 2.4016 2.4060 2.5492 2.5513 3.0492 3.0570 3.5041 3.5120 3.8609 3.8616 3.9589 3.9614 4.6029 4.6048 5.0998 5.1070 12.1865 12.1969 12.2804 12.2848 12.7718 12.7780 13.3999 13.4039 13.4718 13.4816 k = 0.2593 0.4190-0.0000 ( 4309 PWs) bands (ev): -13.4700 -13.4699 -13.1280 -13.1280 -10.8927 -10.8920 -10.2828 -10.2814 -8.6579 -8.6548 -8.6500 -8.6473 -3.5152 -3.5135 -2.1355 -2.1300 -1.7449 -1.7428 -1.2795 -1.2713 -1.0797 -1.0706 0.3156 0.3250 0.5181 0.5210 1.1762 1.1882 1.2453 1.2535 2.3603 2.3658 2.3688 2.3745 2.5345 2.5374 3.0401 3.0472 3.4950 3.5027 3.8943 3.8950 3.9184 3.9208 4.6216 4.6236 5.0750 5.0823 12.1858 12.1966 12.3427 12.3474 12.7622 12.7681 13.4129 13.4220 13.4712 13.4756 k = 0.2679 0.4330-0.0000 ( 4317 PWs) bands (ev): -13.4598 -13.4597 -13.1287 -13.1287 -10.9416 -10.9409 -10.2453 -10.2439 -8.6712 -8.6638 -8.6478 -8.6397 -3.5101 -3.5086 -2.0845 -2.0789 -1.7051 -1.7032 -1.2739 -1.2658 -1.1380 -1.1289 0.2310 0.2401 0.5560 0.5590 1.1388 1.1509 1.3162 1.3249 2.3305 2.3327 2.3933 2.4074 2.5223 2.5255 3.0298 3.0361 3.4869 3.4943 3.8779 3.8802 3.9295 3.9305 4.6412 4.6432 5.0494 5.0567 12.1853 12.1966 12.4006 12.4057 12.7542 12.7599 13.3502 13.3586 13.5426 13.5474 k = 0.2766 0.4470-0.0000 ( 4319 PWs) bands (ev): -13.4498 -13.4497 -13.1294 -13.1294 -10.9890 -10.9884 -10.2067 -10.2052 -8.6880 -8.6809 -8.6385 -8.6303 -3.5067 -3.5052 -2.0330 -2.0273 -1.6676 -1.6659 -1.2645 -1.2565 -1.1950 -1.1859 0.1450 0.1538 0.5927 0.5959 1.1019 1.1140 1.3879 1.3968 2.2964 2.2981 2.4249 2.4392 2.5119 2.5150 3.0181 3.0235 3.4799 3.4871 3.8381 3.8402 3.9662 3.9673 4.6615 4.6636 5.0231 5.0304 12.1853 12.1969 12.4517 12.4569 12.7509 12.7562 13.2850 13.2930 13.6120 13.6172 k = 0.2852 0.4609-0.0000 ( 4315 PWs) bands (ev): -13.4401 -13.4400 -13.1299 -13.1299 -11.0350 -11.0344 -10.1670 -10.1654 -8.7052 -8.6982 -8.6302 -8.6219 -3.5048 -3.5033 -1.9814 -1.9757 -1.6324 -1.6309 -1.2549 -1.2464 -1.2436 -1.2408 0.0578 0.0662 0.6281 0.6315 1.0652 1.0773 1.4597 1.4690 2.2639 2.2652 2.4554 2.4697 2.5028 2.5056 3.0050 3.0094 3.4740 3.4810 3.7989 3.8007 4.0045 4.0057 4.6826 4.6848 4.9962 5.0035 12.1856 12.1976 12.4920 12.4968 12.7567 12.7612 13.2189 13.2264 13.6740 13.6794 k = 0.2939 0.4749-0.0000 ( 4307 PWs) bands (ev): -13.4307 -13.4305 -13.1304 -13.1304 -11.0793 -11.0788 -10.1263 -10.1245 -8.7225 -8.7159 -8.6230 -8.6146 -3.5044 -3.5029 -1.9305 -1.9247 -1.5994 -1.5980 -1.3026 -1.2928 -1.2341 -1.2272 -0.0302 -0.0222 0.6619 0.6655 1.0286 1.0407 1.5315 1.5410 2.2332 2.2343 2.4844 2.4952 2.4957 2.5006 2.9904 2.9938 3.4693 3.4760 3.7604 3.7620 4.0443 4.0456 4.7044 4.7067 4.9689 4.9760 12.1862 12.1985 12.5171 12.5211 12.7761 12.7794 13.1532 13.1603 13.7178 13.7220 k = 0.3025 0.4889-0.0000 ( 4307 PWs) bands (ev): -13.4215 -13.4214 -13.1307 -13.1307 -11.1221 -11.1217 -10.0845 -10.0826 -8.7400 -8.7336 -8.6170 -8.6085 -3.5055 -3.5040 -1.8813 -1.8756 -1.5685 -1.5672 -1.3501 -1.3402 -1.2147 -1.2079 -0.1189 -0.1111 0.6941 0.6978 0.9918 1.0040 1.6028 1.6126 2.2044 2.2054 2.4872 2.4890 2.5139 2.5282 2.9745 2.9767 3.4656 3.4722 3.7229 3.7241 4.0854 4.0869 4.7268 4.7292 4.9411 4.9483 12.1870 12.1995 12.5260 12.5288 12.8103 12.8121 13.0887 13.0954 13.7420 13.7447 k = 0.3111 0.5028-0.0000 ( 4307 PWs) bands (ev): -13.4127 -13.4126 -13.1310 -13.1310 -11.1633 -11.1629 -10.0418 -10.0398 -8.7575 -8.7513 -8.6123 -8.6037 -3.5078 -3.5064 -1.8358 -1.8303 -1.5393 -1.5381 -1.3910 -1.3809 -1.1926 -1.1862 -0.2078 -0.2004 0.7244 0.7283 0.9547 0.9669 1.6734 1.6834 2.1778 2.1787 2.4809 2.4818 2.5417 2.5560 2.9572 2.9583 3.4630 3.4694 3.6865 3.6872 4.1278 4.1294 4.7498 4.7523 4.9132 4.9202 12.1877 12.2005 12.5220 12.5237 12.8556 12.8560 13.0266 13.0329 13.7563 13.7582 k = 0.3198 0.5168-0.0000 ( 4303 PWs) bands (ev): -13.4043 -13.4042 -13.1311 -13.1311 -11.2029 -11.2025 -9.9981 -9.9960 -8.7749 -8.7689 -8.6091 -8.6005 -3.5114 -3.5101 -1.7972 -1.7921 -1.5118 -1.5106 -1.4216 -1.4113 -1.1685 -1.1624 -0.2966 -0.2896 0.7527 0.7567 0.9171 0.9293 1.7429 1.7531 2.1532 2.1541 2.4753 2.4753 2.5689 2.5833 2.9386 2.9387 3.4612 3.4677 3.6513 3.6515 4.1713 4.1732 4.7733 4.7759 4.8852 4.8921 12.1882 12.2011 12.5096 12.5106 12.9068 12.9073 12.9677 12.9736 13.7656 13.7670 k = 0.3284 0.5308-0.0000 ( 4311 PWs) bands (ev): -13.3962 -13.3961 -13.1312 -13.1312 -11.2407 -11.2404 -9.9537 -9.9514 -8.7920 -8.7863 -8.6074 -8.5988 -3.5161 -3.5148 -1.7704 -1.7656 -1.4857 -1.4845 -1.4370 -1.4265 -1.1429 -1.1370 -0.3852 -0.3786 0.7790 0.7830 0.8787 0.8910 1.8109 1.8214 2.1307 2.1316 2.4692 2.4702 2.5955 2.6099 2.9178 2.9191 3.4601 3.4668 3.6169 3.6175 4.2159 4.2179 4.7971 4.7998 4.8573 4.8640 12.1881 12.2010 12.4921 12.4927 12.9124 12.9180 12.9616 12.9627 13.7716 13.7726 k = 0.3371 0.5448-0.0000 ( 4315 PWs) bands (ev): -13.3886 -13.3885 -13.1311 -13.1311 -11.2769 -11.2766 -9.9084 -9.9061 -8.8088 -8.8034 -8.6074 -8.5988 -3.5217 -3.5204 -1.7597 -1.7550 -1.4609 -1.4596 -1.4324 -1.4219 -1.1161 -1.1106 -0.4732 -0.4669 0.8030 0.8070 0.8395 0.8517 1.8773 1.8878 2.1102 2.1113 2.4636 2.4656 2.6216 2.6360 2.8962 2.8987 3.4595 3.4667 3.5838 3.5854 4.2613 4.2635 4.8212 4.8239 4.8295 4.8362 12.1870 12.1998 12.4716 12.4719 12.8626 12.8675 13.0177 13.0193 13.7750 13.7758 k = 0.3457 0.5587-0.0000 ( 4318 PWs) bands (ev): -13.3814 -13.3813 -13.1310 -13.1310 -11.3113 -11.3110 -9.8625 -9.8600 -8.8252 -8.8200 -8.6092 -8.6006 -3.5281 -3.5268 -1.7651 -1.7604 -1.4369 -1.4357 -1.4081 -1.3977 -1.0886 -1.0834 -0.5604 -0.5544 0.7987 0.8110 0.8252 0.8293 1.9416 1.9523 2.0919 2.0929 2.4584 2.4615 2.6473 2.6615 2.8740 2.8777 3.4590 3.4672 3.5521 3.5553 4.3075 4.3099 4.8021 4.8085 4.8453 4.8484 12.1844 12.1968 12.4494 12.4495 12.8184 12.8226 13.0746 13.0766 13.7305 13.7388 k = 0.3457 0.5587-0.0000 ( 4318 PWs) bands (ev): -13.3814 -13.3813 -13.1310 -13.1310 -11.3113 -11.3110 -9.8625 -9.8600 -8.8252 -8.8200 -8.6092 -8.6006 -3.5281 -3.5268 -1.7651 -1.7604 -1.4369 -1.4357 -1.4081 -1.3977 -1.0886 -1.0834 -0.5604 -0.5544 0.7987 0.8110 0.8252 0.8293 1.9416 1.9523 2.0919 2.0929 2.4584 2.4615 2.6473 2.6615 2.8740 2.8777 3.4590 3.4672 3.5521 3.5553 4.3075 4.3099 4.8021 4.8085 4.8453 4.8484 12.1844 12.1968 12.4494 12.4495 12.8184 12.8226 13.0746 13.0766 13.7305 13.7388 k = 0.3293 0.5587-0.0000 ( 4314 PWs) bands (ev): -13.3853 -13.3852 -13.1312 -13.1312 -11.2925 -11.2922 -9.8872 -9.8848 -8.8166 -8.8112 -8.6080 -8.5993 -3.5242 -3.5229 -1.7698 -1.7653 -1.4451 -1.4439 -1.4227 -1.4123 -1.1007 -1.0953 -0.5130 -0.5069 0.8105 0.8148 0.8246 0.8357 1.9067 1.9173 2.1023 2.1033 2.4588 2.4614 2.6349 2.6491 2.8867 2.8899 3.4592 3.4668 3.5686 3.5709 4.2833 4.2855 4.8134 4.8182 4.8379 4.8395 12.1863 12.1988 12.4603 12.4609 12.8386 12.8433 13.0456 13.0473 13.7433 13.7472 k = 0.3128 0.5587-0.0000 ( 4309 PWs) bands (ev): -13.3898 -13.3897 -13.1317 -13.1317 -11.2715 -11.2711 -9.9126 -9.9103 -8.8077 -8.8023 -8.6071 -8.5984 -3.5194 -3.5180 -1.7962 -1.7921 -1.4482 -1.4453 -1.4291 -1.4198 -1.1072 -1.1017 -0.4629 -0.4567 0.7960 0.8001 0.8495 0.8617 1.8688 1.8794 2.1150 2.1160 2.4534 2.4560 2.6259 2.6397 2.9010 2.9038 3.4589 3.4663 3.5849 3.5869 4.2599 4.2620 4.8100 4.8110 4.8460 4.8496 12.1888 12.2014 12.4691 12.4703 12.8547 12.8598 13.0194 13.0209 13.7322 13.7351 k = 0.2963 0.5587-0.0000 ( 4309 PWs) bands (ev): -13.3947 -13.3946 -13.1324 -13.1324 -11.2484 -11.2480 -9.9387 -9.9365 -8.7987 -8.7931 -8.6065 -8.5978 -3.5136 -3.5122 -1.8393 -1.8358 -1.4574 -1.4517 -1.4207 -1.4142 -1.1070 -1.1014 -0.4110 -0.4046 0.7785 0.7825 0.8782 0.8904 1.8284 1.8389 2.1298 2.1306 2.4410 2.4441 2.6218 2.6347 2.9162 2.9188 3.4583 3.4657 3.6004 3.6024 4.2381 4.2401 4.7985 4.7998 4.8619 4.8667 12.1925 12.2051 12.4757 12.4775 12.8643 12.8695 12.9980 12.9989 13.7235 13.7263 k = 0.2799 0.5587-0.0000 ( 4313 PWs) bands (ev): -13.3999 -13.3998 -13.1334 -13.1334 -11.2233 -11.2229 -9.9655 -9.9633 -8.7896 -8.7838 -8.6062 -8.5976 -3.5066 -3.5052 -1.8933 -1.8902 -1.4695 -1.4630 -1.4071 -1.4021 -1.0986 -1.0931 -0.3578 -0.3514 0.7592 0.7631 0.9093 0.9216 1.7856 1.7961 2.1463 2.1469 2.4219 2.4257 2.6227 2.6344 2.9320 2.9345 3.4573 3.4647 3.6141 3.6164 4.2184 4.2202 4.7869 4.7884 4.8794 4.8846 12.1978 12.2105 12.4802 12.4827 12.8645 12.8696 12.9831 12.9838 13.7199 13.7226 k = 0.2634 0.5587-0.0000 ( 4315 PWs) bands (ev): -13.4052 -13.4051 -13.1346 -13.1346 -11.1964 -11.1961 -9.9931 -9.9910 -8.7803 -8.7745 -8.6062 -8.5976 -3.4985 -3.4971 -1.9538 -1.9510 -1.4820 -1.4755 -1.3956 -1.3914 -1.0815 -1.0761 -0.3041 -0.2976 0.7385 0.7422 0.9427 0.9550 1.7406 1.7511 2.1643 2.1645 2.3973 2.4017 2.6273 2.6378 2.9482 2.9507 3.4556 3.4633 3.6256 3.6283 4.2014 4.2029 4.7762 4.7779 4.8973 4.9027 12.2052 12.2178 12.4832 12.4863 12.8548 12.8593 12.9741 12.9758 13.7222 13.7249 k = 0.2469 0.5587-0.0000 ( 4317 PWs) bands (ev): -13.4107 -13.4106 -13.1360 -13.1360 -11.1680 -11.1676 -10.0213 -10.0193 -8.7711 -8.7650 -8.6066 -8.5980 -3.4890 -3.4875 -2.0178 -2.0153 -1.4945 -1.4880 -1.3885 -1.3849 -1.0559 -1.0507 -0.2503 -0.2439 0.7169 0.7204 0.9781 0.9904 1.6938 1.7042 2.1828 2.1833 2.3689 2.3735 2.6345 2.6439 2.9645 2.9671 3.4532 3.4613 3.6341 3.6374 4.1875 4.1888 4.7669 4.7686 4.9150 4.9204 12.2146 12.2271 12.4850 12.4886 12.8377 12.8417 12.9686 12.9714 13.7309 13.7335 k = 0.2305 0.5587-0.0000 ( 4322 PWs) bands (ev): -13.4162 -13.4161 -13.1376 -13.1376 -11.1380 -11.1376 -10.0502 -10.0483 -8.7618 -8.7556 -8.6072 -8.5987 -3.4781 -3.4766 -2.0838 -2.0815 -1.5067 -1.5005 -1.3859 -1.3828 -1.0234 -1.0184 -0.1971 -0.1907 0.6950 0.6983 1.0154 1.0276 1.6453 1.6556 2.2007 2.2024 2.3388 2.3430 2.6430 2.6516 2.9808 2.9835 3.4498 3.4583 3.6394 3.6435 4.1770 4.1782 4.7589 4.7608 4.9322 4.9376 12.2262 12.2386 12.4861 12.4902 12.8166 12.8203 12.9631 12.9668 13.7459 13.7483 k = 0.2140 0.5587-0.0000 ( 4321 PWs) bands (ev): -13.4216 -13.4215 -13.1393 -13.1393 -11.1068 -11.1063 -10.0798 -10.0780 -8.7525 -8.7463 -8.6082 -8.5997 -3.4657 -3.4641 -2.1505 -2.1484 -1.5186 -1.5127 -1.3868 -1.3840 -0.9858 -0.9810 -0.1449 -0.1387 0.6734 0.6764 1.0542 1.0664 1.5954 1.6056 2.2148 2.2192 2.3111 2.3132 2.6520 2.6599 2.9970 2.9998 3.4452 3.4541 3.6415 3.6464 4.1699 4.1711 4.7526 4.7545 4.9486 4.9540 12.2399 12.2522 12.4870 12.4915 12.7938 12.7973 12.9558 12.9600 13.7667 13.7689 k = 0.1976 0.5587-0.0000 ( 4319 PWs) bands (ev): -13.4269 -13.4268 -13.1411 -13.1410 -11.0744 -11.0739 -10.1100 -10.1082 -8.7434 -8.7370 -8.6095 -8.6010 -3.4517 -3.4501 -2.2170 -2.2152 -1.5300 -1.5244 -1.3900 -1.3875 -0.9449 -0.9404 -0.0946 -0.0886 0.6531 0.6556 1.0944 1.1066 1.5442 1.5544 2.2151 2.2247 2.2934 2.2959 2.6611 2.6684 3.0130 3.0159 3.4391 3.4484 3.6408 3.6463 4.1659 4.1672 4.7480 4.7499 4.9642 4.9695 12.2557 12.2678 12.4881 12.4930 12.7706 12.7741 12.9460 12.9505 13.7924 13.7943 k = 0.1811 0.5587-0.0000 ( 4326 PWs) bands (ev): -13.4320 -13.4319 -13.1429 -13.1429 -11.0412 -11.0407 -10.1408 -10.1390 -8.7344 -8.7279 -8.6110 -8.6026 -3.4361 -3.4345 -2.2829 -2.2811 -1.5409 -1.5357 -1.3945 -1.3923 -0.9021 -0.8979 -0.0469 -0.0412 0.6350 0.6370 1.1357 1.1477 1.4922 1.5023 2.1932 2.2052 2.2974 2.3019 2.6697 2.6765 3.0286 3.0316 3.4313 3.4408 3.6379 3.6440 4.1647 4.1661 4.7452 4.7471 4.9786 4.9838 12.2732 12.2852 12.4898 12.4951 12.7477 12.7510 12.9336 12.9384 13.8207 13.8230 k = 0.1646 0.5587-0.0000 ( 4327 PWs) bands (ev): -13.4368 -13.4368 -13.1448 -13.1447 -11.0073 -11.0067 -10.1719 -10.1703 -8.7255 -8.7189 -8.6129 -8.6046 -3.4190 -3.4174 -2.3473 -2.3457 -1.5511 -1.5464 -1.3997 -1.3978 -0.8588 -0.8547 -0.0028 0.0023 0.6204 0.6218 1.1774 1.1893 1.4398 1.4498 2.1588 2.1708 2.3154 2.3196 2.6776 2.6840 3.0438 3.0469 3.4215 3.4312 3.6337 3.6402 4.1655 4.1671 4.7440 4.7460 4.9918 4.9968 12.2923 12.3041 12.4926 12.4983 12.7253 12.7287 12.9190 12.9240 13.8056 13.8103 k = 0.1482 0.5587-0.0000 ( 4331 PWs) bands (ev): -13.4414 -13.4413 -13.1465 -13.1465 -10.9730 -10.9724 -10.2034 -10.2018 -8.7169 -8.7101 -8.6151 -8.6068 -3.4004 -3.3987 -2.4100 -2.4085 -1.5607 -1.5564 -1.4051 -1.4033 -0.8157 -0.8118 0.0362 0.0407 0.6109 0.6114 1.2184 1.2300 1.3882 1.3983 2.1195 2.1314 2.3373 2.3410 2.6847 2.6907 3.0586 3.0617 3.4098 3.4193 3.6290 3.6356 4.1678 4.1694 4.7445 4.7465 5.0037 5.0085 12.3124 12.3240 12.4968 12.5027 12.7040 12.7072 12.9027 12.9078 13.7753 13.7796 k = 0.1317 0.5587-0.0000 ( 4331 PWs) bands (ev): -13.4456 -13.4455 -13.1482 -13.1482 -10.9386 -10.9380 -10.2349 -10.2335 -8.7085 -8.7016 -8.6176 -8.6094 -3.3804 -3.3788 -2.4702 -2.4688 -1.5694 -1.5656 -1.4103 -1.4087 -0.7737 -0.7701 0.0689 0.0726 0.6076 0.6083 1.2528 1.2638 1.3431 1.3539 2.0782 2.0898 2.3601 2.3635 2.6908 2.6965 3.0728 3.0759 3.3963 3.4054 3.6245 3.6308 4.1709 4.1726 4.7464 4.7484 5.0142 5.0187 12.3332 12.3445 12.5026 12.5085 12.6841 12.6871 12.8849 12.8902 13.7446 13.7485 k = 0.1152 0.5587-0.0000 ( 4327 PWs) bands (ev): -13.4494 -13.4493 -13.1498 -13.1498 -10.9044 -10.9038 -10.2663 -10.2649 -8.7003 -8.6934 -8.6204 -8.6123 -3.3594 -3.3578 -2.5274 -2.5261 -1.5774 -1.5740 -1.4151 -1.4138 -0.7335 -0.7302 0.0942 0.0969 0.6120 0.6138 1.2493 1.2590 1.3358 1.3480 2.0357 2.0472 2.3827 2.3858 2.6958 2.7011 3.0864 3.0896 3.3813 3.3898 3.6205 3.6264 4.1744 4.1759 4.7495 4.7514 5.0233 5.0274 12.3541 12.3651 12.5096 12.5156 12.6664 12.6691 12.8661 12.8715 13.7141 13.7178 k = 0.0988 0.5587-0.0000 ( 4332 PWs) bands (ev): -13.4528 -13.4527 -13.1513 -13.1512 -10.8710 -10.8704 -10.2972 -10.2959 -8.6925 -8.6855 -8.6235 -8.6155 -3.3377 -3.3362 -2.5810 -2.5797 -1.5843 -1.5814 -1.4194 -1.4183 -0.6960 -0.6930 0.1114 0.1132 0.6253 0.6283 1.2051 1.2142 1.3697 1.3815 1.9927 2.0041 2.4044 2.4072 2.6998 2.7046 3.0995 3.1026 3.3653 3.3731 3.6173 3.6226 4.1778 4.1792 4.7535 4.7552 5.0310 5.0347 12.3746 12.3852 12.5171 12.5230 12.6520 12.6544 12.8462 12.8517 13.6847 13.6881 k = 0.0823 0.5587-0.0000 ( 4334 PWs) bands (ev): -13.4557 -13.4556 -13.1525 -13.1525 -10.8389 -10.8383 -10.3269 -10.3257 -8.6850 -8.6780 -8.6269 -8.6191 -3.3160 -3.3146 -2.6301 -2.6289 -1.5903 -1.5879 -1.4231 -1.4222 -0.6619 -0.6593 0.1211 0.1222 0.6475 0.6516 1.1529 1.1617 1.4111 1.4225 1.9500 1.9610 2.4245 2.4270 2.7027 2.7071 3.1118 3.1148 3.3490 3.3559 3.6149 3.6194 4.1808 4.1821 4.7578 4.7594 5.0373 5.0405 12.3942 12.4045 12.5229 12.5287 12.6429 12.6456 12.8253 12.8311 13.6574 13.6604 k = 0.0659 0.5587-0.0000 ( 4336 PWs) bands (ev): -13.4581 -13.4580 -13.1536 -13.1536 -10.8090 -10.8085 -10.3547 -10.3537 -8.6779 -8.6710 -8.6306 -8.6229 -3.2950 -3.2938 -2.6736 -2.6725 -1.5953 -1.5933 -1.4262 -1.4254 -0.6322 -0.6299 0.1248 0.1253 0.6775 0.6825 1.0996 1.1081 1.4531 1.4639 1.9083 1.9189 2.4423 2.4445 2.7048 2.7085 3.1232 3.1260 3.3334 3.3393 3.6133 3.6169 4.1834 4.1845 4.7622 4.7635 5.0424 5.0450 12.4129 12.4227 12.5239 12.5302 12.6413 12.6456 12.8036 12.8096 13.6331 13.6356 k = 0.0494 0.5587-0.0000 ( 4340 PWs) bands (ev): -13.4600 -13.4599 -13.1545 -13.1545 -10.7826 -10.7821 -10.3795 -10.3787 -8.6713 -8.6645 -8.6344 -8.6271 -3.2760 -3.2750 -2.7102 -2.7093 -1.5991 -1.5976 -1.4286 -1.4280 -0.6076 -0.6058 0.1246 0.1248 0.7132 0.7188 1.0473 1.0554 1.4934 1.5033 1.8692 1.8788 2.4573 2.4590 2.7061 2.7091 3.1334 3.1358 3.3195 3.3242 3.6123 3.6150 4.1855 4.1863 4.7662 4.7672 5.0462 5.0483 12.4306 12.4400 12.5185 12.5256 12.6491 12.6549 12.7809 12.7872 13.6129 13.6149 k = 0.0329 0.5587-0.0000 ( 4342 PWs) bands (ev): -13.4613 -13.4613 -13.1551 -13.1551 -10.7612 -10.7608 -10.3995 -10.3989 -8.6651 -8.6589 -8.6380 -8.6314 -3.2606 -3.2598 -2.7382 -2.7376 -1.6018 -1.6008 -1.4303 -1.4299 -0.5891 -0.5879 0.1225 0.1227 0.7518 0.7574 0.9982 1.0054 1.5295 1.5375 1.8351 1.8431 2.4686 2.4699 2.7070 2.7090 3.1419 3.1437 3.3083 3.3117 3.6118 3.6136 4.1870 4.1875 4.7694 4.7701 5.0490 5.0504 12.4476 12.4565 12.5082 12.5158 12.6647 12.6713 12.7575 12.7640 13.5978 13.5991 k = 0.0165 0.5587-0.0000 ( 4340 PWs) bands (ev): -13.4622 -13.4622 -13.1555 -13.1555 -10.7470 -10.7468 -10.4128 -10.4124 -8.6597 -8.6554 -8.6403 -8.6357 -3.2502 -3.2498 -2.7559 -2.7556 -1.6033 -1.6028 -1.4313 -1.4311 -0.5775 -0.5769 0.1206 0.1207 0.7878 0.7922 0.9576 0.9628 1.5569 1.5618 1.8110 1.8158 2.4759 2.4765 2.7076 2.7087 3.1477 3.1487 3.3013 3.3031 3.6117 3.6126 4.1879 4.1882 4.7715 4.7719 5.0508 5.0515 12.4639 12.4724 12.4950 12.5029 12.6850 12.6916 12.7340 12.7405 13.5885 13.5892 k = 0.0000 0.5587-0.0000 ( 4340 PWs) bands (ev): -13.4624 -13.4624 -13.1556 -13.1556 -10.7420 -10.7420 -10.4173 -10.4173 -8.6559 -8.6559 -8.6393 -8.6393 -3.2465 -3.2465 -2.7619 -2.7619 -1.6037 -1.6037 -1.4315 -1.4315 -0.5733 -0.5733 0.1198 0.1198 0.8068 0.8068 0.9414 0.9414 1.5693 1.5693 1.8036 1.8036 2.4785 2.4785 2.7081 2.7081 3.1501 3.1501 3.2994 3.2994 3.6120 3.6120 4.1883 4.1883 4.7724 4.7724 5.0517 5.0517 12.4791 12.4791 12.4888 12.4888 12.7050 12.7050 12.7197 12.7197 13.5856 13.5856 k = 0.0000 0.5587-0.0000 ( 4340 PWs) bands (ev): -13.4624 -13.4624 -13.1556 -13.1556 -10.7420 -10.7420 -10.4173 -10.4173 -8.6559 -8.6559 -8.6393 -8.6393 -3.2465 -3.2465 -2.7619 -2.7619 -1.6037 -1.6037 -1.4315 -1.4315 -0.5733 -0.5733 0.1198 0.1198 0.8068 0.8068 0.9414 0.9414 1.5693 1.5693 1.8036 1.8036 2.4785 2.4785 2.7081 2.7081 3.1501 3.1501 3.2994 3.2994 3.6120 3.6120 4.1883 4.1883 4.7724 4.7724 5.0517 5.0517 12.4791 12.4791 12.4888 12.4888 12.7050 12.7050 12.7197 12.7197 13.5856 13.5856 k = 0.0000 0.5587 0.0163 ( 4340 PWs) bands (ev): -13.4622 -13.4622 -13.1557 -13.1557 -10.7412 -10.7411 -10.4167 -10.4167 -8.6575 -8.6573 -8.6411 -8.6411 -3.2460 -3.2459 -2.7613 -2.7611 -1.6032 -1.6031 -1.4291 -1.4289 -0.5718 -0.5716 0.1193 0.1194 0.8046 0.8047 0.9392 0.9395 1.5693 1.5694 1.8044 1.8044 2.4764 2.4764 2.7088 2.7089 3.1518 3.1519 3.3002 3.3003 3.6115 3.6116 4.1886 4.1887 4.7724 4.7724 5.0514 5.0514 12.4725 12.4739 12.4840 12.4843 12.7086 12.7096 12.7178 12.7180 13.5900 13.5900 k = 0.0000 0.5587 0.0326 ( 4342 PWs) bands (ev): -13.4615 -13.4615 -13.1560 -13.1560 -10.7387 -10.7387 -10.4148 -10.4147 -8.6622 -8.6619 -8.6464 -8.6464 -3.2444 -3.2441 -2.7594 -2.7590 -1.6015 -1.6015 -1.4217 -1.4212 -0.5669 -0.5665 0.1177 0.1180 0.7981 0.7983 0.9331 0.9337 1.5695 1.5696 1.8069 1.8069 2.4701 2.4701 2.7108 2.7109 3.1570 3.1570 3.3025 3.3028 3.6100 3.6103 4.1896 4.1898 4.7723 4.7724 5.0507 5.0507 12.4552 12.4572 12.4710 12.4711 12.7070 12.7082 12.7247 12.7255 13.6026 13.6027 k = 0.0000 0.5587 0.0489 ( 4344 PWs) bands (ev): -13.4603 -13.4603 -13.1565 -13.1565 -10.7346 -10.7346 -10.4116 -10.4115 -8.6700 -8.6696 -8.6552 -8.6551 -3.2417 -3.2413 -2.7562 -2.7556 -1.5988 -1.5987 -1.4093 -1.4085 -0.5586 -0.5580 0.1151 0.1156 0.7876 0.7879 0.9233 0.9241 1.5697 1.5698 1.8107 1.8108 2.4599 2.4600 2.7141 2.7143 3.1651 3.1653 3.3064 3.3068 3.6077 3.6080 4.1912 4.1916 4.7723 4.7724 5.0494 5.0494 12.4297 12.4318 12.4504 12.4507 12.6954 12.6968 12.7433 12.7445 13.6220 13.6220 k = 0.0000 0.5587 0.0652 ( 4346 PWs) bands (ev): -13.4587 -13.4587 -13.1573 -13.1572 -10.7288 -10.7288 -10.4072 -10.4070 -8.6809 -8.6803 -8.6673 -8.6672 -3.2379 -3.2374 -2.7517 -2.7510 -1.5951 -1.5950 -1.3921 -1.3910 -0.5470 -0.5462 0.1114 0.1120 0.7736 0.7740 0.9099 0.9110 1.5697 1.5699 1.8158 1.8158 2.4464 2.4465 2.7186 2.7188 3.1759 3.1761 3.3120 3.3125 3.6043 3.6048 4.1935 4.1939 4.7722 4.7723 5.0477 5.0477 12.3989 12.4008 12.4228 12.4234 12.6804 12.6819 12.7656 12.7669 13.6457 13.6458 k = 0.0000 0.5587 0.0815 ( 4330 PWs) bands (ev): -13.4566 -13.4566 -13.1582 -13.1582 -10.7215 -10.7214 -10.4014 -10.4012 -8.6947 -8.6940 -8.6828 -8.6826 -3.2329 -3.2323 -2.7461 -2.7452 -1.5905 -1.5903 -1.3702 -1.3689 -0.5320 -0.5310 0.1064 0.1071 0.7566 0.7571 0.8935 0.8949 1.5694 1.5696 1.8215 1.8216 2.4301 2.4302 2.7240 2.7242 3.1888 3.1890 3.3191 3.3198 3.6000 3.6006 4.1963 4.1969 4.7721 4.7722 5.0455 5.0455 12.3647 12.3665 12.3895 12.3901 12.6632 12.6647 12.7898 12.7911 13.6713 13.6717 k = 0.0000 0.5587 0.0978 ( 4328 PWs) bands (ev): -13.4540 -13.4540 -13.1594 -13.1593 -10.7125 -10.7124 -10.3944 -10.3942 -8.7116 -8.7107 -8.7014 -8.7012 -3.2269 -3.2262 -2.7395 -2.7384 -1.5850 -1.5848 -1.3438 -1.3423 -0.5136 -0.5124 0.1000 0.1009 0.7373 0.7380 0.8744 0.8760 1.5685 1.5688 1.8276 1.8277 2.4118 2.4119 2.7302 2.7304 3.2031 3.2034 3.3279 3.3286 3.5947 3.5954 4.1997 4.2004 4.7719 4.7721 5.0427 5.0428 12.3286 12.3304 12.3516 12.3520 12.6445 12.6461 12.8149 12.8160 13.6961 13.6968 k = 0.0000 0.5587 0.1141 ( 4326 PWs) bands (ev): -13.4511 -13.4510 -13.1607 -13.1607 -10.7018 -10.7018 -10.3861 -10.3858 -8.7314 -8.7303 -8.7229 -8.7226 -3.2198 -3.2189 -2.7319 -2.7307 -1.5787 -1.5785 -1.3133 -1.3115 -0.4918 -0.4903 0.0920 0.0931 0.7165 0.7173 0.8531 0.8549 1.5668 1.5671 1.8335 1.8336 2.3920 2.3921 2.7369 2.7371 3.2183 3.2186 3.3381 3.3389 3.5884 3.5891 4.2035 4.2043 4.7717 4.7718 5.0395 5.0396 12.2918 12.2936 12.3108 12.3108 12.6250 12.6264 12.8404 12.8412 13.7179 13.7190 k = 0.0000 0.5587 0.1304 ( 4322 PWs) bands (ev): -13.4476 -13.4476 -13.1623 -13.1623 -10.6895 -10.6895 -10.3766 -10.3762 -8.7543 -8.7531 -8.7468 -8.7465 -3.2115 -3.2105 -2.7235 -2.7223 -1.5717 -1.5715 -1.2789 -1.2769 -0.4665 -0.4649 0.0822 0.0835 0.6949 0.6958 0.8299 0.8320 1.5642 1.5645 1.8387 1.8387 2.3716 2.3716 2.7438 2.7440 3.2338 3.2342 3.3500 3.3508 3.5811 3.5818 4.2077 4.2086 4.7713 4.7714 5.0358 5.0358 12.2548 12.2570 12.2676 12.2685 12.6050 12.6062 12.8658 12.8663 13.7350 13.7365 k = 0.0000 0.5587 0.1467 ( 4320 PWs) bands (ev): -13.4438 -13.4437 -13.1641 -13.1641 -10.6757 -10.6756 -10.3658 -10.3654 -8.7806 -8.7795 -8.7726 -8.7724 -3.2021 -3.2011 -2.7145 -2.7132 -1.5641 -1.5639 -1.2411 -1.2389 -0.4378 -0.4361 0.0705 0.0720 0.6734 0.6745 0.8055 0.8078 1.5605 1.5609 1.8426 1.8427 2.3510 2.3510 2.7507 2.7508 3.2492 3.2496 3.3632 3.3640 3.5727 3.5736 4.2121 4.2131 4.7707 4.7709 5.0316 5.0316 12.2172 12.2209 12.2246 12.2275 12.5848 12.5858 12.8908 12.8910 13.7468 13.7486 k = 0.0000 0.5587 0.1630 ( 4324 PWs) bands (ev): -13.4396 -13.4395 -13.1662 -13.1661 -10.6602 -10.6601 -10.3537 -10.3532 -8.8101 -8.8092 -8.8000 -8.7999 -3.1917 -3.1905 -2.7051 -2.7037 -1.5559 -1.5558 -1.2003 -1.1978 -0.4059 -0.4039 0.0567 0.0583 0.6528 0.6539 0.7801 0.7827 1.5557 1.5561 1.8446 1.8448 2.3309 2.3310 2.7571 2.7573 3.2640 3.2645 3.3778 3.3786 3.5635 3.5644 4.2166 4.2177 4.7701 4.7703 5.0268 5.0269 12.1774 12.1799 12.1890 12.1912 12.5647 12.5656 12.9149 12.9151 13.7535 13.7555 k = 0.0000 0.5587 0.1793 ( 4322 PWs) bands (ev): -13.4350 -13.4349 -13.1684 -13.1684 -10.6431 -10.6430 -10.3403 -10.3399 -8.8426 -8.8418 -8.8293 -8.8290 -3.1801 -3.1789 -2.6955 -2.6940 -1.5472 -1.5472 -1.1570 -1.1543 -0.3707 -0.3686 0.0407 0.0425 0.6337 0.6350 0.7543 0.7571 1.5497 1.5502 1.8444 1.8446 2.3120 2.3122 2.7630 2.7631 3.2779 3.2784 3.3934 3.3941 3.5535 3.5544 4.2211 4.2223 4.7693 4.7695 5.0216 5.0217 12.1370 12.1384 12.1580 12.1596 12.5451 12.5458 12.9377 12.9383 13.7559 13.7582 k = 0.0000 0.5587 0.1956 ( 4324 PWs) bands (ev): -13.4300 -13.4299 -13.1709 -13.1709 -10.6244 -10.6244 -10.3257 -10.3252 -8.8776 -8.8770 -8.8605 -8.8600 -3.1675 -3.1662 -2.6857 -2.6843 -1.5380 -1.5380 -1.1118 -1.1088 -0.3325 -0.3302 0.0226 0.0246 0.6168 0.6182 0.7284 0.7315 1.5425 1.5430 1.8412 1.8416 2.2948 2.2952 2.7679 2.7679 3.2907 3.2912 3.4097 3.4103 3.5432 3.5442 4.2253 4.2266 4.7685 4.7687 5.0159 5.0160 12.0985 12.0993 12.1304 12.1318 12.5263 12.5267 12.9590 12.9600 13.7552 13.7576 k = 0.0000 0.5587 0.2119 ( 4324 PWs) bands (ev): -13.4246 -13.4245 -13.1737 -13.1736 -10.6042 -10.6041 -10.3099 -10.3094 -8.9149 -8.9144 -8.8933 -8.8927 -3.1539 -3.1525 -2.6761 -2.6748 -1.5284 -1.5283 -1.0654 -1.0622 -0.2914 -0.2890 0.0027 0.0048 0.6027 0.6042 0.7028 0.7062 1.5341 1.5346 1.8349 1.8354 2.2798 2.2803 2.7715 2.7716 3.3019 3.3025 3.4256 3.4259 3.5337 3.5345 4.2290 4.2304 4.7676 4.7678 5.0097 5.0098 12.0631 12.0635 12.1066 12.1081 12.5085 12.5088 12.9782 12.9797 13.7527 13.7551 k = 0.0000 0.5587 0.2282 ( 4330 PWs) bands (ev): -13.4190 -13.4189 -13.1767 -13.1766 -10.5824 -10.5823 -10.2929 -10.2923 -8.9543 -8.9537 -8.9277 -8.9270 -3.1392 -3.1377 -2.6669 -2.6656 -1.5183 -1.5181 -1.0186 -1.0152 -0.2479 -0.2453 -0.0186 -0.0164 0.5918 0.5934 0.6781 0.6817 1.5246 1.5251 1.8250 1.8256 2.2674 2.2679 2.7737 2.7738 3.3116 3.3121 3.4390 3.4390 3.5269 3.5275 4.2321 4.2336 4.7667 4.7669 5.0030 5.0032 12.0315 12.0316 12.0871 12.0887 12.4921 12.4922 12.9950 12.9970 13.7492 13.7516 k = 0.0000 0.5587 0.2445 ( 4330 PWs) bands (ev): -13.4130 -13.4129 -13.1799 -13.1798 -10.5591 -10.5590 -10.2746 -10.2740 -8.9954 -8.9949 -8.9636 -8.9628 -3.1235 -3.1220 -2.6582 -2.6570 -1.5076 -1.5072 -0.9725 -0.9689 -0.2022 -0.1995 -0.0407 -0.0383 0.5843 0.5859 0.6545 0.6584 1.5138 1.5143 1.8114 1.8121 2.2576 2.2583 2.7742 2.7744 3.3196 3.3201 3.4454 3.4460 3.5270 3.5271 4.2343 4.2358 4.7658 4.7660 4.9958 4.9961 12.0044 12.0045 12.0723 12.0741 12.4773 12.4773 13.0088 13.0112 13.7454 13.7479 k = 0.0000 0.5587 0.2608 ( 4324 PWs) bands (ev): -13.4067 -13.4066 -13.1834 -13.1833 -10.5343 -10.5341 -10.2551 -10.2545 -9.0381 -9.0376 -9.0008 -8.9999 -3.1070 -3.1054 -2.6503 -2.6492 -1.4961 -1.4957 -0.9281 -0.9244 -0.1550 -0.1522 -0.0626 -0.0601 0.5804 0.5821 0.6327 0.6367 1.5020 1.5025 1.7942 1.7950 2.2506 2.2514 2.7729 2.7732 3.3257 3.3262 3.4423 3.4435 3.5364 3.5368 4.2354 4.2370 4.7652 4.7654 4.9883 4.9885 11.9822 11.9825 12.0627 12.0645 12.4642 12.4643 13.0191 13.0220 13.7420 13.7445 k = 0.0000 0.5587 0.2771 ( 4318 PWs) bands (ev): -13.4002 -13.4001 -13.1872 -13.1871 -10.5080 -10.5078 -10.2345 -10.2338 -9.0821 -9.0817 -9.0392 -9.0382 -3.0895 -3.0879 -2.6434 -2.6424 -1.4839 -1.4834 -0.8870 -0.8831 -0.1071 -0.1042 -0.0828 -0.0802 0.5802 0.5820 0.6131 0.6174 1.4890 1.4895 1.7735 1.7744 2.2463 2.2471 2.7695 2.7699 3.3301 3.3305 3.4318 3.4333 3.5538 3.5543 4.2351 4.2367 4.7649 4.7650 4.9803 4.9806 11.9655 11.9660 12.0583 12.0603 12.4531 12.4533 13.0255 13.0288 13.7392 13.7417 k = 0.0000 0.5587 0.2934 ( 4320 PWs) bands (ev): -13.3934 -13.3933 -13.1912 -13.1911 -10.4802 -10.4800 -10.2128 -10.2120 -9.1273 -9.1269 -9.0785 -9.0774 -3.0712 -3.0695 -2.6376 -2.6367 -1.4708 -1.4701 -0.8505 -0.8465 -0.1010 -0.0983 -0.0584 -0.0554 0.5838 0.5854 0.5966 0.6011 1.4749 1.4754 1.7495 1.7505 2.2445 2.2453 2.7640 2.7644 3.3326 3.3331 3.4172 3.4189 3.5757 3.5763 4.2333 4.2349 4.7649 4.7651 4.9720 4.9723 11.9546 11.9552 12.0595 12.0617 12.4443 12.4446 13.0277 13.0314 13.7372 13.7395 k = 0.0000 0.5587 0.3097 ( 4318 PWs) bands (ev): -13.3865 -13.3863 -13.1954 -13.1953 -10.4510 -10.4508 -10.1899 -10.1891 -9.1735 -9.1731 -9.1186 -9.1175 -3.0521 -3.0504 -2.6332 -2.6325 -1.4566 -1.4557 -0.8206 -0.8165 -0.1143 -0.1114 -0.0113 -0.0083 0.5831 0.5874 0.5923 0.5936 1.4598 1.4603 1.7226 1.7236 2.2448 2.2457 2.7561 2.7566 3.3335 3.3338 3.4006 3.4025 3.6002 3.6008 4.2297 4.2313 4.7655 4.7656 4.9634 4.9637 11.9498 11.9506 12.0664 12.0687 12.4378 12.4381 13.0254 13.0296 13.7216 13.7250 k = 0.0000 0.5587 0.3260 ( 4322 PWs) bands (ev): -13.3793 -13.3792 -13.1999 -13.1998 -10.4204 -10.4202 -10.1660 -10.1652 -9.2204 -9.2200 -9.1593 -9.1582 -3.0323 -3.0305 -2.6303 -2.6297 -1.4412 -1.4402 -0.7987 -0.7946 -0.1220 -0.1189 0.0334 0.0365 0.5754 0.5803 0.6030 0.6048 1.4436 1.4440 1.6930 1.6940 2.2472 2.2481 2.7457 2.7463 3.3327 3.3329 3.3831 3.3851 3.6263 3.6269 4.2242 4.2258 4.7666 4.7667 4.9544 4.9548 11.9514 11.9522 12.0790 12.0814 12.4337 12.4339 13.0188 13.0234 13.6666 13.6697 k = 0.0000 0.5587 0.3424 ( 4320 PWs) bands (ev): -13.3719 -13.3718 -13.2047 -13.2046 -10.3885 -10.3883 -10.1411 -10.1403 -9.2678 -9.2674 -9.2005 -9.1994 -3.0119 -3.0101 -2.6290 -2.6286 -1.4245 -1.4233 -0.7861 -0.7820 -0.1229 -0.1197 0.0742 0.0771 0.5737 0.5787 0.6182 0.6200 1.4262 1.4266 1.6611 1.6621 2.2514 2.2523 2.7329 2.7334 3.3304 3.3305 3.3654 3.3675 3.6535 3.6540 4.2167 4.2182 4.7684 4.7684 4.9453 4.9457 11.9593 11.9601 12.0971 12.0997 12.4320 12.4322 13.0078 13.0129 13.6039 13.6072 k = 0.0000 0.5587 0.3587 ( 4328 PWs) bands (ev): -13.3645 -13.3643 -13.2097 -13.2096 -10.3552 -10.3550 -10.1154 -10.1145 -9.3155 -9.3151 -9.2420 -9.2409 -2.9909 -2.9891 -2.6295 -2.6293 -1.4062 -1.4049 -0.7833 -0.7792 -0.1169 -0.1135 0.1091 0.1117 0.5797 0.5845 0.6374 0.6391 1.4077 1.4081 1.6270 1.6280 2.2574 2.2582 2.7174 2.7180 3.3267 3.3268 3.3482 3.3504 3.6814 3.6819 4.2072 4.2087 4.7708 4.7708 4.9360 4.9365 11.9736 11.9744 12.1207 12.1235 12.4327 12.4329 12.9928 12.9984 13.5353 13.5388 k = 0.0000 0.5587 0.3750 ( 4334 PWs) bands (ev): -13.3569 -13.3567 -13.2150 -13.2148 -10.3208 -10.3206 -10.0888 -10.0879 -9.3633 -9.3629 -9.2837 -9.2825 -2.9694 -2.9676 -2.6318 -2.6318 -1.3864 -1.3849 -0.7898 -0.7859 -0.1044 -0.1009 0.1368 0.1389 0.5943 0.5988 0.6606 0.6622 1.3880 1.3883 1.5909 1.5919 2.2649 2.2657 2.6994 2.7000 3.3218 3.3219 3.3317 3.3341 3.7099 3.7102 4.1957 4.1971 4.7739 4.7740 4.9266 4.9271 11.9942 11.9950 12.1494 12.1524 12.4358 12.4358 12.9740 12.9801 13.4624 13.4661 k = 0.0000 0.5587 0.3913 ( 4334 PWs) bands (ev): -13.3492 -13.3490 -13.2205 -13.2203 -10.2852 -10.2850 -10.0617 -10.0608 -9.4107 -9.4103 -9.3253 -9.3241 -2.9476 -2.9457 -2.6362 -2.6360 -1.3650 -1.3633 -0.8046 -0.8008 -0.0869 -0.0833 0.1564 0.1579 0.6178 0.6219 0.6875 0.6890 1.3671 1.3674 1.5531 1.5541 2.2741 2.2748 2.6790 2.6796 3.3156 3.3160 3.3166 3.3195 3.7386 3.7389 4.1822 4.1835 4.7777 4.7779 4.9171 4.9176 12.0212 12.0219 12.1827 12.1859 12.4410 12.4411 12.9517 12.9583 13.3872 13.3911 k = 0.0000 0.5587 0.4076 ( 4332 PWs) bands (ev): -13.3414 -13.3413 -13.2262 -13.2261 -10.2486 -10.2483 -10.0343 -10.0333 -9.4575 -9.4571 -9.3667 -9.3655 -2.9255 -2.9236 -2.6425 -2.6421 -1.3418 -1.3399 -0.8262 -0.8225 -0.0659 -0.0622 0.1681 0.1690 0.6494 0.6529 0.7181 0.7195 1.3450 1.3452 1.5138 1.5147 2.2850 2.2856 2.6562 2.6568 3.3029 3.3047 3.3095 3.3105 3.7675 3.7677 4.1668 4.1680 4.7822 4.7824 4.9077 4.9082 12.0541 12.0548 12.2201 12.2235 12.4483 12.4486 12.9261 12.9331 13.3120 13.3159 k = 0.0000 0.5587 0.4239 ( 4330 PWs) bands (ev): -13.3336 -13.3334 -13.2322 -13.2321 -10.2110 -10.2107 -10.0070 -10.0060 -9.5032 -9.5028 -9.4077 -9.4065 -2.9032 -2.9014 -2.6507 -2.6501 -1.3168 -1.3148 -0.8530 -0.8494 -0.0429 -0.0391 0.1731 0.1733 0.6872 0.6902 0.7519 0.7530 1.3217 1.3218 1.4730 1.4739 2.2975 2.2981 2.6315 2.6320 3.2910 3.2930 3.3026 3.3034 3.7964 3.7966 4.1496 4.1507 4.7873 4.7876 4.8982 4.8987 12.0928 12.0934 12.2604 12.2641 12.4575 12.4580 12.8969 12.9042 13.2394 13.2433 k = 0.0000 0.5587 0.4402 ( 4336 PWs) bands (ev): -13.3258 -13.3256 -13.2384 -13.2383 -10.1726 -10.1724 -9.9804 -9.9794 -9.5469 -9.5464 -9.4481 -9.4469 -2.8809 -2.8791 -2.6607 -2.6599 -1.2901 -1.2879 -0.8837 -0.8802 -0.0192 -0.0154 0.1721 0.1726 0.7293 0.7317 0.7882 0.7891 1.2973 1.2974 1.4312 1.4321 2.3119 2.3124 2.6051 2.6056 3.2811 3.2831 3.2954 3.2963 3.8253 3.8254 4.1308 4.1318 4.7930 4.7933 4.8889 4.8894 12.1370 12.1373 12.3025 12.3065 12.4682 12.4690 12.8633 12.8708 13.1728 13.1764 k = 0.0000 0.5587 0.4565 ( 4340 PWs) bands (ev): -13.3180 -13.3178 -13.2448 -13.2447 -10.1338 -10.1335 -9.9557 -9.9548 -9.5874 -9.5869 -9.4875 -9.4863 -2.8587 -2.8569 -2.6725 -2.6716 -1.2617 -1.2594 -0.9171 -0.9137 0.0044 0.0081 0.1668 0.1679 0.7733 0.7754 0.8260 0.8268 1.2724 1.2724 1.3886 1.3895 2.3281 2.3285 2.5774 2.5779 3.2731 3.2752 3.2883 3.2894 3.8540 3.8541 4.1105 4.1114 4.7991 4.7995 4.8796 4.8801 12.1859 12.1861 12.3446 12.3488 12.4801 12.4813 12.8240 12.8311 13.1167 13.1196 k = 0.0000 0.5587 0.4728 ( 4338 PWs) bands (ev): -13.3102 -13.3100 -13.2515 -13.2513 -10.0947 -10.0944 -9.9349 -9.9340 -9.6227 -9.6222 -9.5257 -9.5245 -2.8367 -2.8349 -2.6859 -2.6848 -1.2316 -1.2291 -0.9522 -0.9489 0.0271 0.0307 0.1585 0.1600 0.8175 0.8192 0.8639 0.8644 1.2477 1.2477 1.3460 1.3469 2.3462 2.3466 2.5490 2.5494 3.2672 3.2693 3.2815 3.2827 3.8824 3.8825 4.0888 4.0896 4.8058 4.8062 4.8705 4.8710 12.2390 12.2390 12.3841 12.3885 12.4929 12.4945 12.7776 12.7838 13.0758 13.0775 k = 0.0000 0.5587 0.4891 ( 4340 PWs) bands (ev): -13.3025 -13.3023 -13.2583 -13.2581 -10.0559 -10.0555 -9.9211 -9.9203 -9.6496 -9.6490 -9.5621 -9.5609 -2.8150 -2.8133 -2.7009 -2.6997 -1.2000 -1.1974 -0.9883 -0.9851 0.0486 0.0521 0.1477 0.1497 0.8596 0.8611 0.8994 0.8996 1.2250 1.2251 1.3044 1.3052 2.3662 2.3666 2.5203 2.5207 3.2634 3.2654 3.2753 3.2767 3.9104 3.9106 4.0660 4.0667 4.8128 4.8132 4.8616 4.8621 12.2947 12.2950 12.4180 12.4225 12.5062 12.5082 12.7245 12.7292 13.0537 13.0539 k = 0.0000 0.5587 0.5054 ( 4338 PWs) bands (ev): -13.2948 -13.2946 -13.2653 -13.2651 -10.0181 -10.0177 -9.9184 -9.9177 -9.6640 -9.6633 -9.5958 -9.5947 -2.7939 -2.7922 -2.7173 -2.7159 -1.1669 -1.1642 -1.0249 -1.0218 0.0688 0.0721 0.1351 0.1373 0.8974 0.8986 0.9285 0.9286 1.2076 1.2078 1.2654 1.2662 2.3881 2.3885 2.4918 2.4922 3.2614 3.2633 3.2700 3.2715 3.9380 3.9382 4.0420 4.0426 4.8202 4.8207 4.8528 4.8533 12.3513 12.3516 12.4423 12.4464 12.5203 12.5227 12.6674 12.6704 13.0507 13.0519 k = 0.0000 0.5587 0.5217 ( 4344 PWs) bands (ev): -13.2872 -13.2871 -13.2725 -13.2723 -9.9827 -9.9823 -9.9292 -9.9286 -9.6635 -9.6626 -9.6257 -9.6246 -2.7734 -2.7718 -2.7349 -2.7335 -1.1327 -1.1299 -1.0613 -1.0583 0.0876 0.0907 0.1207 0.1233 0.9274 0.9284 0.9453 0.9457 1.2006 1.2010 1.2320 1.2327 2.4118 2.4122 2.4640 2.4643 3.2612 3.2631 3.2657 3.2674 3.9651 3.9654 4.0172 4.0177 4.8280 4.8284 4.8443 4.8448 12.4038 12.4038 12.4521 12.4553 12.5379 12.5401 12.6120 12.6133 13.0677 13.0698 k = 0.0000 0.5587 0.5380 ( 4344 PWs) bands (ev): -13.2798 -13.2798 -13.2796 -13.2796 -9.9519 -9.9519 -9.9514 -9.9514 -9.6494 -9.6494 -9.6484 -9.6484 -2.7537 -2.7537 -2.7521 -2.7521 -1.0974 -1.0974 -1.0945 -1.0945 0.1049 0.1049 0.1078 0.1078 0.9449 0.9449 0.9456 0.9456 1.2088 1.2088 1.2095 1.2095 2.4372 2.4372 2.4376 2.4376 3.2627 3.2627 3.2645 3.2645 3.9915 3.9915 3.9919 3.9919 4.8360 4.8360 4.8365 4.8365 12.4405 12.4405 12.4419 12.4419 12.5668 12.5668 12.5677 12.5677 13.1031 13.1031 k = 0.0000 0.5587 0.5380 ( 4344 PWs) bands (ev): -13.2798 -13.2798 -13.2796 -13.2796 -9.9519 -9.9519 -9.9514 -9.9514 -9.6494 -9.6494 -9.6484 -9.6484 -2.7537 -2.7537 -2.7521 -2.7521 -1.0974 -1.0974 -1.0945 -1.0945 0.1049 0.1049 0.1078 0.1078 0.9449 0.9449 0.9456 0.9456 1.2088 1.2088 1.2095 1.2095 2.4372 2.4372 2.4376 2.4376 3.2627 3.2627 3.2645 3.2645 3.9915 3.9915 3.9919 3.9919 4.8360 4.8360 4.8365 4.8365 12.4405 12.4405 12.4419 12.4419 12.5668 12.5668 12.5677 12.5677 13.1031 13.1031 k = 0.0165 0.5587 0.5380 ( 4342 PWs) bands (ev): -13.2796 -13.2796 -13.2795 -13.2795 -9.9543 -9.9543 -9.9537 -9.9537 -9.6473 -9.6473 -9.6463 -9.6463 -2.7519 -2.7519 -2.7504 -2.7504 -1.1008 -1.1008 -1.0979 -1.0979 0.1069 0.1069 0.1098 0.1098 0.9422 0.9422 0.9442 0.9442 1.2106 1.2106 1.2128 1.2128 2.4362 2.4362 2.4368 2.4368 3.2638 3.2638 3.2656 3.2656 3.9920 3.9920 3.9925 3.9925 4.8341 4.8341 4.8346 4.8346 12.4390 12.4390 12.4408 12.4408 12.5676 12.5676 12.5693 12.5693 13.1026 13.1026 k = 0.0329 0.5587 0.5380 ( 4342 PWs) bands (ev): -13.2792 -13.2792 -13.2790 -13.2790 -9.9612 -9.9612 -9.9605 -9.9605 -9.6413 -9.6413 -9.6402 -9.6402 -2.7468 -2.7468 -2.7452 -2.7452 -1.1110 -1.1110 -1.1082 -1.1082 0.1127 0.1127 0.1157 0.1157 0.9356 0.9356 0.9392 0.9392 1.2169 1.2169 1.2212 1.2212 2.4333 2.4333 2.4344 2.4344 3.2669 3.2669 3.2688 3.2688 3.9938 3.9938 3.9944 3.9944 4.8284 4.8284 4.8291 4.8291 12.4349 12.4349 12.4376 12.4376 12.5706 12.5706 12.5735 12.5735 13.1011 13.1011 k = 0.0494 0.5587 0.5380 ( 4342 PWs) bands (ev): -13.2784 -13.2784 -13.2782 -13.2782 -9.9721 -9.9721 -9.9712 -9.9712 -9.6318 -9.6318 -9.6306 -9.6306 -2.7382 -2.7382 -2.7366 -2.7366 -1.1278 -1.1278 -1.1249 -1.1249 0.1223 0.1223 0.1252 0.1252 0.9260 0.9260 0.9308 0.9308 1.2277 1.2277 1.2336 1.2336 2.4288 2.4288 2.4303 2.4303 3.2720 3.2720 3.2740 3.2740 3.9967 3.9967 3.9975 3.9975 4.8190 4.8190 4.8200 4.8200 12.4289 12.4289 12.4323 12.4323 12.5755 12.5755 12.5794 12.5794 13.0986 13.0986 k = 0.0659 0.5587 0.5380 ( 4340 PWs) bands (ev): -13.2773 -13.2773 -13.2772 -13.2772 -9.9862 -9.9862 -9.9851 -9.9851 -9.6196 -9.6196 -9.6182 -9.6182 -2.7263 -2.7263 -2.7247 -2.7247 -1.1507 -1.1507 -1.1479 -1.1479 0.1351 0.1351 0.1382 0.1382 0.9141 0.9141 0.9199 0.9199 1.2420 1.2420 1.2493 1.2493 2.4227 2.4227 2.4246 2.4246 3.2789 3.2789 3.2810 3.2810 4.0009 4.0009 4.0019 4.0019 4.8060 4.8060 4.8072 4.8072 12.4214 12.4214 12.4254 12.4254 12.5818 12.5818 12.5867 12.5867 13.0952 13.0952 k = 0.0823 0.5587 0.5380 ( 4334 PWs) bands (ev): -13.2759 -13.2759 -13.2758 -13.2758 -10.0029 -10.0029 -10.0017 -10.0017 -9.6051 -9.6051 -9.6037 -9.6037 -2.7110 -2.7110 -2.7094 -2.7094 -1.1793 -1.1793 -1.1766 -1.1766 0.1508 0.1508 0.1540 0.1540 0.9006 0.9006 0.9071 0.9071 1.2591 1.2591 1.2674 1.2674 2.4153 2.4153 2.4177 2.4177 3.2873 3.2873 3.2895 3.2895 4.0064 4.0064 4.0076 4.0076 4.7897 4.7897 4.7911 4.7911 12.4128 12.4128 12.4172 12.4172 12.5892 12.5892 12.5949 12.5949 13.0911 13.0911 k = 0.0988 0.5587 0.5380 ( 4324 PWs) bands (ev): -13.2743 -13.2743 -13.2742 -13.2742 -10.0216 -10.0216 -10.0202 -10.0202 -9.5891 -9.5891 -9.5876 -9.5876 -2.6925 -2.6925 -2.6908 -2.6908 -1.2132 -1.2132 -1.2105 -1.2105 0.1689 0.1689 0.1722 0.1722 0.8863 0.8863 0.8932 0.8932 1.2783 1.2783 1.2874 1.2874 2.4069 2.4069 2.4095 2.4095 3.2968 3.2968 3.2992 3.2992 4.0134 4.0134 4.0147 4.0147 4.7701 4.7701 4.7718 4.7718 12.4034 12.4034 12.4080 12.4080 12.5972 12.5972 12.6035 12.6035 13.0863 13.0863 k = 0.1152 0.5587 0.5380 ( 4322 PWs) bands (ev): -13.2725 -13.2725 -13.2723 -13.2723 -10.0416 -10.0416 -10.0402 -10.0402 -9.5720 -9.5720 -9.5704 -9.5704 -2.6709 -2.6709 -2.6691 -2.6691 -1.2518 -1.2518 -1.2492 -1.2492 0.1889 0.1889 0.1923 0.1923 0.8714 0.8714 0.8786 0.8786 1.2990 1.2990 1.3088 1.3088 2.3976 2.3976 2.4005 2.4005 3.3072 3.3072 3.3096 3.3096 4.0218 4.0218 4.0233 4.0233 4.7475 4.7475 4.7494 4.7494 12.3933 12.3933 12.3980 12.3980 12.6055 12.6055 12.6124 12.6124 13.0812 13.0812 k = 0.1317 0.5587 0.5380 ( 4322 PWs) bands (ev): -13.2704 -13.2704 -13.2702 -13.2702 -10.0627 -10.0627 -10.0613 -10.0613 -9.5541 -9.5541 -9.5525 -9.5525 -2.6462 -2.6462 -2.6443 -2.6443 -1.2945 -1.2945 -1.2920 -1.2920 0.2104 0.2104 0.2139 0.2139 0.8564 0.8564 0.8638 0.8638 1.3208 1.3208 1.3310 1.3310 2.3877 2.3877 2.3909 2.3909 3.3181 3.3181 3.3205 3.3205 4.0317 4.0317 4.0334 4.0334 4.7222 4.7222 4.7244 4.7244 12.3826 12.3826 12.3874 12.3874 12.6139 12.6139 12.6213 12.6213 13.0758 13.0758 k = 0.1482 0.5587 0.5380 ( 4330 PWs) bands (ev): -13.2681 -13.2681 -13.2679 -13.2679 -10.0845 -10.0845 -10.0830 -10.0830 -9.5357 -9.5357 -9.5341 -9.5341 -2.6185 -2.6185 -2.6165 -2.6165 -1.3410 -1.3410 -1.3385 -1.3385 0.2329 0.2329 0.2365 0.2365 0.8416 0.8416 0.8490 0.8490 1.3432 1.3432 1.3538 1.3538 2.3774 2.3774 2.3808 2.3808 3.3290 3.3290 3.3313 3.3313 4.0434 4.0434 4.0451 4.0451 4.6944 4.6944 4.6968 4.6968 12.3713 12.3713 12.3760 12.3760 12.6222 12.6222 12.6302 12.6302 13.0704 13.0704 k = 0.1646 0.5587 0.5380 ( 4324 PWs) bands (ev): -13.2656 -13.2656 -13.2655 -13.2655 -10.1066 -10.1066 -10.1051 -10.1051 -9.5171 -9.5171 -9.5154 -9.5154 -2.5880 -2.5880 -2.5859 -2.5859 -1.3908 -1.3908 -1.3884 -1.3884 0.2560 0.2560 0.2597 0.2597 0.8272 0.8272 0.8345 0.8345 1.3659 1.3659 1.3768 1.3768 2.3670 2.3670 2.3706 2.3706 3.3397 3.3397 3.3419 3.3419 4.0567 4.0567 4.0586 4.0586 4.6646 4.6646 4.6672 4.6672 12.3594 12.3594 12.3640 12.3640 12.6302 12.6302 12.6388 12.6388 13.0653 13.0653 k = 0.1811 0.5587 0.5380 ( 4326 PWs) bands (ev): -13.2630 -13.2630 -13.2629 -13.2629 -10.1290 -10.1290 -10.1275 -10.1275 -9.4983 -9.4983 -9.4966 -9.4966 -2.5547 -2.5547 -2.5527 -2.5527 -1.4435 -1.4435 -1.4411 -1.4411 0.2794 0.2794 0.2833 0.2833 0.8133 0.8133 0.8205 0.8205 1.3887 1.3887 1.3998 1.3998 2.3568 2.3568 2.3605 2.3605 3.3497 3.3497 3.3518 3.3518 4.0718 4.0718 4.0738 4.0738 4.6329 4.6329 4.6357 4.6357 12.3466 12.3466 12.3511 12.3511 12.6380 12.6380 12.6471 12.6471 13.0606 13.0606 k = 0.1976 0.5587 0.5380 ( 4326 PWs) bands (ev): -13.2603 -13.2603 -13.2602 -13.2602 -10.1513 -10.1513 -10.1498 -10.1498 -9.4795 -9.4795 -9.4778 -9.4778 -2.5190 -2.5190 -2.5168 -2.5168 -1.4988 -1.4988 -1.4964 -1.4964 0.3027 0.3027 0.3067 0.3067 0.8001 0.8001 0.8072 0.8072 1.4113 1.4113 1.4225 1.4225 2.3469 2.3469 2.3507 2.3507 3.3588 3.3588 3.3607 3.3607 4.0888 4.0888 4.0909 4.0909 4.5999 4.5999 4.6029 4.6029 12.3329 12.3329 12.3374 12.3374 12.6454 12.6454 12.6550 12.6550 13.0569 13.0569 k = 0.2140 0.5587 0.5380 ( 4328 PWs) bands (ev): -13.2576 -13.2576 -13.2574 -13.2574 -10.1734 -10.1734 -10.1719 -10.1719 -9.4607 -9.4607 -9.4590 -9.4590 -2.4808 -2.4808 -2.4786 -2.4786 -1.5563 -1.5563 -1.5539 -1.5539 0.3258 0.3258 0.3299 0.3299 0.7877 0.7877 0.7947 0.7947 1.4333 1.4333 1.4446 1.4446 2.3376 2.3376 2.3415 2.3415 3.3667 3.3667 3.3684 3.3684 4.1075 4.1075 4.1097 4.1097 4.5659 4.5659 4.5690 4.5690 12.3182 12.3182 12.3225 12.3225 12.6522 12.6522 12.6622 12.6622 13.0542 13.0542 k = 0.2305 0.5587 0.5380 ( 4332 PWs) bands (ev): -13.2548 -13.2548 -13.2547 -13.2547 -10.1951 -10.1951 -10.1936 -10.1936 -9.4421 -9.4421 -9.4404 -9.4404 -2.4405 -2.4405 -2.4382 -2.4382 -1.6157 -1.6157 -1.6133 -1.6133 0.3482 0.3482 0.3524 0.3524 0.7763 0.7763 0.7831 0.7831 1.4545 1.4545 1.4659 1.4659 2.3291 2.3291 2.3330 2.3330 3.3732 3.3732 3.3746 3.3746 4.1279 4.1279 4.1303 4.1303 4.5313 4.5313 4.5345 4.5345 12.3023 12.3023 12.3066 12.3066 12.6583 12.6583 12.6687 12.6687 13.0531 13.0531 k = 0.2469 0.5587 0.5380 ( 4330 PWs) bands (ev): -13.2520 -13.2520 -13.2519 -13.2519 -10.2164 -10.2164 -10.2149 -10.2149 -9.4237 -9.4237 -9.4220 -9.4220 -2.3981 -2.3981 -2.3957 -2.3957 -1.6769 -1.6769 -1.6745 -1.6745 0.3698 0.3698 0.3741 0.3741 0.7661 0.7661 0.7727 0.7727 1.4746 1.4746 1.4861 1.4861 2.3217 2.3217 2.3256 2.3256 3.3781 3.3781 3.3793 3.3793 4.1499 4.1499 4.1524 4.1524 4.4966 4.4966 4.4999 4.4999 12.2852 12.2852 12.2894 12.2894 12.6636 12.6636 12.6743 12.6743 13.0537 13.0537 k = 0.2634 0.5587 0.5380 ( 4328 PWs) bands (ev): -13.2493 -13.2493 -13.2492 -13.2492 -10.2370 -10.2370 -10.2356 -10.2356 -9.4054 -9.4054 -9.4038 -9.4038 -2.3538 -2.3538 -2.3514 -2.3514 -1.7395 -1.7395 -1.7371 -1.7371 0.3903 0.3903 0.3947 0.3947 0.7573 0.7573 0.7636 0.7636 1.4934 1.4934 1.5049 1.5049 2.3156 2.3156 2.3195 2.3195 3.3814 3.3814 3.3823 3.3823 4.1731 4.1731 4.1758 4.1758 4.4624 4.4624 4.4658 4.4658 12.2667 12.2667 12.2709 12.2709 12.6678 12.6678 12.6787 12.6787 13.0564 13.0564 k = 0.2799 0.5587 0.5380 ( 4332 PWs) bands (ev): -13.2467 -13.2467 -13.2466 -13.2466 -10.2569 -10.2569 -10.2555 -10.2555 -9.3874 -9.3874 -9.3858 -9.3858 -2.3080 -2.3080 -2.3056 -2.3056 -1.8033 -1.8033 -1.8009 -1.8009 0.4094 0.4094 0.4138 0.4138 0.7500 0.7500 0.7562 0.7562 1.5103 1.5103 1.5219 1.5219 2.3111 2.3111 2.3149 2.3149 3.3830 3.3830 3.3836 3.3836 4.1970 4.1970 4.1999 4.1999 4.4295 4.4295 4.4329 4.4329 12.2469 12.2469 12.2510 12.2510 12.6709 12.6709 12.6818 12.6818 13.0614 13.0614 k = 0.2963 0.5587 0.5380 ( 4330 PWs) bands (ev): -13.2443 -13.2443 -13.2442 -13.2442 -10.2760 -10.2760 -10.2746 -10.2746 -9.3697 -9.3697 -9.3680 -9.3680 -2.2608 -2.2608 -2.2584 -2.2584 -1.8680 -1.8680 -1.8657 -1.8657 0.4268 0.4268 0.4312 0.4312 0.7446 0.7446 0.7506 0.7506 1.5252 1.5252 1.5367 1.5367 2.3084 2.3084 2.3122 2.3122 3.3829 3.3829 3.3834 3.3834 4.2204 4.2204 4.2234 4.2234 4.3993 4.3993 4.4025 4.4025 12.2258 12.2258 12.2298 12.2298 12.6726 12.6726 12.6835 12.6835 13.0688 13.0688 k = 0.3128 0.5587 0.5380 ( 4326 PWs) bands (ev): -13.2420 -13.2420 -13.2419 -13.2419 -10.2941 -10.2941 -10.2927 -10.2927 -9.3522 -9.3522 -9.3506 -9.3506 -2.2128 -2.2128 -2.2104 -2.2104 -1.9333 -1.9333 -1.9310 -1.9310 0.4421 0.4421 0.4466 0.4466 0.7415 0.7415 0.7472 0.7472 1.5377 1.5377 1.5491 1.5491 2.3078 2.3078 2.3115 2.3115 3.3813 3.3813 3.3816 3.3816 4.2402 4.2402 4.2435 4.2435 4.3750 4.3750 4.3778 4.3778 12.2032 12.2032 12.2072 12.2072 12.6729 12.6729 12.6837 12.6837 13.0786 13.0786 k = 0.3293 0.5587 0.5380 ( 4320 PWs) bands (ev): -13.2399 -13.2399 -13.2398 -13.2398 -10.3112 -10.3112 -10.3098 -10.3098 -9.3350 -9.3350 -9.3334 -9.3334 -2.1650 -2.1650 -2.1629 -2.1629 -1.9977 -1.9977 -1.9957 -1.9957 0.4550 0.4550 0.4595 0.4595 0.7408 0.7408 0.7464 0.7464 1.5473 1.5473 1.5587 1.5587 2.3096 2.3096 2.3131 2.3131 3.3782 3.3782 3.3785 3.3785 4.2501 4.2501 4.2534 4.2534 4.3634 4.3634 4.3651 4.3651 12.1793 12.1793 12.1833 12.1833 12.6718 12.6718 12.6824 12.6824 13.0908 13.0908 k = 0.3457 0.5587 0.5380 ( 4326 PWs) bands (ev): -13.2382 -13.2382 -13.2381 -13.2381 -10.3271 -10.3271 -10.3258 -10.3258 -9.3181 -9.3181 -9.3165 -9.3165 -2.1253 -2.1253 -2.1247 -2.1247 -2.0524 -2.0524 -2.0523 -2.0523 0.4652 0.4652 0.4697 0.4697 0.7431 0.7431 0.7485 0.7485 1.5539 1.5539 1.5652 1.5652 2.3139 2.3139 2.3173 2.3173 3.3738 3.3738 3.3742 3.3742 4.2433 4.2433 4.2467 4.2467 4.3706 4.3706 4.3715 4.3715 12.1542 12.1542 12.1581 12.1581 12.6693 12.6693 12.6797 12.6797 13.1051 13.1051 k = 0.3457 0.5587 0.5380 ( 4326 PWs) bands (ev): -13.2382 -13.2382 -13.2381 -13.2381 -10.3271 -10.3271 -10.3258 -10.3258 -9.3181 -9.3181 -9.3165 -9.3165 -2.1253 -2.1253 -2.1247 -2.1247 -2.0524 -2.0524 -2.0523 -2.0523 0.4652 0.4652 0.4697 0.4697 0.7431 0.7431 0.7485 0.7485 1.5539 1.5539 1.5652 1.5652 2.3139 2.3139 2.3173 2.3173 3.3738 3.3738 3.3742 3.3742 4.2433 4.2433 4.2467 4.2467 4.3706 4.3706 4.3715 4.3715 12.1542 12.1542 12.1581 12.1581 12.6693 12.6693 12.6797 12.6797 13.1051 13.1051 k = 0.3371 0.5448 0.5380 ( 4326 PWs) bands (ev): -13.2413 -13.2413 -13.2412 -13.2412 -10.2973 -10.2973 -10.2959 -10.2959 -9.3501 -9.3501 -9.3485 -9.3485 -2.1667 -2.1667 -2.1660 -2.1660 -1.9797 -1.9797 -1.9797 -1.9797 0.4478 0.4478 0.4523 0.4523 0.7358 0.7358 0.7415 0.7415 1.5450 1.5450 1.5565 1.5565 2.3037 2.3037 2.3073 2.3073 3.3827 3.3827 3.3829 3.3829 4.2714 4.2714 4.2747 4.2747 4.3414 4.3414 4.3423 4.3423 12.2022 12.2022 12.2062 12.2062 12.6745 12.6745 12.6853 12.6853 13.0777 13.0777 k = 0.3284 0.5308 0.5380 ( 4338 PWs) bands (ev): -13.2446 -13.2446 -13.2445 -13.2445 -10.2661 -10.2661 -10.2647 -10.2647 -9.3826 -9.3826 -9.3810 -9.3810 -2.2102 -2.2102 -2.2095 -2.2095 -1.9053 -1.9053 -1.9052 -1.9052 0.4285 0.4285 0.4329 0.4329 0.7284 0.7284 0.7344 0.7344 1.5373 1.5373 1.5488 1.5488 2.2947 2.2947 2.2986 2.2986 3.3907 3.3907 3.3908 3.3908 4.3006 4.3006 4.3035 4.3035 4.3137 4.3137 4.3141 4.3141 12.2478 12.2478 12.2517 12.2517 12.6773 12.6773 12.6885 12.6885 13.0538 13.0538 k = 0.3198 0.5168 0.5380 ( 4346 PWs) bands (ev): -13.2481 -13.2481 -13.2480 -13.2480 -10.2336 -10.2336 -10.2321 -10.2321 -9.4154 -9.4154 -9.4137 -9.4137 -2.2557 -2.2557 -2.2551 -2.2551 -1.8296 -1.8296 -1.8293 -1.8293 0.4073 0.4073 0.4115 0.4115 0.7210 0.7210 0.7273 0.7273 1.5307 1.5307 1.5423 1.5423 2.2871 2.2871 2.2911 2.2911 3.3977 3.3977 3.3980 3.3980 4.2855 4.2855 4.2865 4.2865 4.3316 4.3316 4.3349 4.3349 12.2892 12.2892 12.2930 12.2930 12.6773 12.6773 12.6888 12.6888 13.0351 13.0351 k = 0.3111 0.5028 0.5380 ( 4342 PWs) bands (ev): -13.2517 -13.2517 -13.2516 -13.2516 -10.1998 -10.1998 -10.1982 -10.1982 -9.4483 -9.4483 -9.4466 -9.4466 -2.3032 -2.3032 -2.3026 -2.3026 -1.7528 -1.7528 -1.7523 -1.7523 0.3841 0.3841 0.3882 0.3882 0.7135 0.7135 0.7202 0.7202 1.5256 1.5256 1.5370 1.5370 2.2810 2.2810 2.2852 2.2852 3.4039 3.4039 3.4044 3.4044 4.2594 4.2594 4.2603 4.2603 4.3634 4.3634 4.3666 4.3666 12.3246 12.3246 12.3281 12.3281 12.6735 12.6735 12.6853 12.6853 13.0234 13.0234 k = 0.3025 0.4889 0.5380 ( 4334 PWs) bands (ev): -13.2554 -13.2554 -13.2553 -13.2553 -10.1647 -10.1647 -10.1631 -10.1631 -9.4813 -9.4813 -9.4796 -9.4796 -2.3526 -2.3526 -2.3521 -2.3521 -1.6753 -1.6753 -1.6746 -1.6746 0.3589 0.3589 0.3629 0.3629 0.7061 0.7061 0.7131 0.7131 1.5220 1.5220 1.5333 1.5333 2.2764 2.2764 2.2809 2.2809 3.4092 3.4092 3.4100 3.4100 4.2346 4.2346 4.2354 4.2354 4.3963 4.3963 4.3993 4.3993 12.3518 12.3518 12.3550 12.3550 12.6655 12.6655 12.6775 12.6775 13.0207 13.0207 k = 0.2939 0.4749 0.5380 ( 4338 PWs) bands (ev): -13.2592 -13.2592 -13.2591 -13.2591 -10.1285 -10.1285 -10.1268 -10.1268 -9.5142 -9.5142 -9.5125 -9.5125 -2.4039 -2.4039 -2.4034 -2.4034 -1.5973 -1.5973 -1.5964 -1.5964 0.3319 0.3319 0.3357 0.3357 0.6987 0.6987 0.7060 0.7060 1.5199 1.5199 1.5310 1.5310 2.2736 2.2736 2.2783 2.2783 3.4138 3.4138 3.4148 3.4148 4.2110 4.2110 4.2118 4.2118 4.4301 4.4301 4.4330 4.4330 12.3695 12.3695 12.3723 12.3723 12.6528 12.6528 12.6649 12.6649 13.0284 13.0284 k = 0.2852 0.4609 0.5380 ( 4334 PWs) bands (ev): -13.2631 -13.2631 -13.2630 -13.2630 -10.0911 -10.0911 -10.0894 -10.0894 -9.5469 -9.5469 -9.5452 -9.5452 -2.4569 -2.4569 -2.4565 -2.4565 -1.5192 -1.5192 -1.5181 -1.5181 0.3031 0.3031 0.3066 0.3066 0.6914 0.6914 0.6991 0.6991 1.5195 1.5195 1.5304 1.5304 2.2726 2.2726 2.2775 2.2775 3.4176 3.4176 3.4189 3.4189 4.1889 4.1889 4.1896 4.1896 4.4646 4.4646 4.4674 4.4674 12.3770 12.3770 12.3793 12.3793 12.6349 12.6349 12.6470 12.6470 13.0469 13.0469 k = 0.2766 0.4470 0.5380 ( 4316 PWs) bands (ev): -13.2671 -13.2671 -13.2670 -13.2670 -10.0526 -10.0526 -10.0509 -10.0509 -9.5793 -9.5793 -9.5777 -9.5777 -2.5116 -2.5116 -2.5112 -2.5112 -1.4412 -1.4412 -1.4399 -1.4399 0.2727 0.2727 0.2760 0.2760 0.6843 0.6843 0.6923 0.6923 1.5208 1.5208 1.5313 1.5313 2.2735 2.2735 2.2786 2.2786 3.4207 3.4207 3.4223 3.4223 4.1682 4.1682 4.1689 4.1689 4.4998 4.4998 4.5024 4.5024 12.3747 12.3747 12.3766 12.3766 12.6118 12.6118 12.6239 12.6239 13.0754 13.0754 k = 0.2679 0.4330 0.5380 ( 4316 PWs) bands (ev): -13.2712 -13.2712 -13.2711 -13.2711 -10.0132 -10.0132 -10.0115 -10.0115 -9.6114 -9.6114 -9.6097 -9.6097 -2.5679 -2.5679 -2.5676 -2.5676 -1.3638 -1.3638 -1.3622 -1.3622 0.2408 0.2408 0.2438 0.2438 0.6773 0.6773 0.6857 0.6857 1.5236 1.5236 1.5339 1.5339 2.2764 2.2764 2.2816 2.2816 3.4232 3.4232 3.4252 3.4252 4.1489 4.1489 4.1495 4.1495 4.5355 4.5355 4.5379 4.5379 12.3643 12.3643 12.3658 12.3658 12.5835 12.5835 12.5955 12.5955 13.1122 13.1122 k = 0.2593 0.4190 0.5380 ( 4318 PWs) bands (ev): -13.2754 -13.2754 -13.2753 -13.2753 -9.9729 -9.9729 -9.9711 -9.9711 -9.6430 -9.6430 -9.6414 -9.6414 -2.6256 -2.6256 -2.6254 -2.6254 -1.2871 -1.2871 -1.2853 -1.2853 0.2077 0.2077 0.2104 0.2104 0.6706 0.6706 0.6794 0.6794 1.5281 1.5281 1.5380 1.5380 2.2812 2.2812 2.2867 2.2867 3.4252 3.4252 3.4275 3.4275 4.1310 4.1310 4.1316 4.1316 4.5715 4.5715 4.5738 4.5738 12.3476 12.3476 12.3488 12.3488 12.5502 12.5502 12.5619 12.5619 13.1549 13.1549 k = 0.2506 0.4051 0.5380 ( 4322 PWs) bands (ev): -13.2797 -13.2797 -13.2796 -13.2796 -9.9317 -9.9317 -9.9299 -9.9299 -9.6741 -9.6741 -9.6725 -9.6725 -2.6847 -2.6847 -2.6845 -2.6845 -1.2115 -1.2115 -1.2094 -1.2094 0.1734 0.1734 0.1759 0.1759 0.6643 0.6643 0.6733 0.6733 1.5340 1.5340 1.5435 1.5435 2.2880 2.2880 2.2937 2.2937 3.4267 3.4267 3.4293 3.4293 4.1146 4.1146 4.1152 4.1152 4.6078 4.6078 4.6099 4.6099 12.3265 12.3265 12.3274 12.3274 12.5122 12.5122 12.5237 12.5237 13.2011 13.2011 k = 0.2420 0.3911 0.5380 ( 4324 PWs) bands (ev): -13.2840 -13.2840 -13.2839 -13.2839 -9.8897 -9.8897 -9.8879 -9.8879 -9.7046 -9.7046 -9.7030 -9.7030 -2.7450 -2.7450 -2.7449 -2.7449 -1.1373 -1.1373 -1.1349 -1.1349 0.1383 0.1383 0.1405 0.1405 0.6583 0.6583 0.6677 0.6677 1.5414 1.5414 1.5505 1.5505 2.2969 2.2969 2.3027 2.3027 3.4279 3.4279 3.4309 3.4309 4.0996 4.0996 4.1001 4.1001 4.6442 4.6442 4.6461 4.6461 12.3024 12.3024 12.3031 12.3031 12.4700 12.4700 12.4812 12.4812 13.2483 13.2483 k = 0.2334 0.3771 0.5380 ( 4328 PWs) bands (ev): -13.2883 -13.2883 -13.2882 -13.2882 -9.8471 -9.8471 -9.8452 -9.8452 -9.7345 -9.7345 -9.7329 -9.7329 -2.8063 -2.8063 -2.8063 -2.8063 -1.0649 -1.0649 -1.0621 -1.0621 0.1027 0.1027 0.1046 0.1046 0.6527 0.6527 0.6624 0.6624 1.5500 1.5500 1.5588 1.5588 2.3076 2.3076 2.3137 2.3137 3.4289 3.4289 3.4322 3.4322 4.0860 4.0860 4.0863 4.0863 4.6805 4.6805 4.6823 4.6823 12.2767 12.2767 12.2773 12.2773 12.4242 12.4242 12.4350 12.4350 13.2944 13.2944 k = 0.2247 0.3632 0.5380 ( 4324 PWs) bands (ev): -13.2927 -13.2927 -13.2926 -13.2926 -9.8039 -9.8039 -9.8020 -9.8020 -9.7635 -9.7635 -9.7620 -9.7620 -2.8686 -2.8686 -2.8686 -2.8686 -0.9943 -0.9943 -0.9913 -0.9913 0.0666 0.0666 0.0683 0.0683 0.6477 0.6477 0.6577 0.6577 1.5598 1.5598 1.5682 1.5682 2.3203 2.3203 2.3265 2.3265 3.4298 3.4298 3.4334 3.4334 4.0736 4.0736 4.0739 4.0739 4.7167 4.7167 4.7182 4.7182 12.2505 12.2505 12.2509 12.2509 12.3753 12.3753 12.3856 12.3856 13.3369 13.3369 k = 0.2161 0.3492 0.5380 ( 4324 PWs) bands (ev): -13.2971 -13.2971 -13.2970 -13.2970 -9.7920 -9.7920 -9.7904 -9.7904 -9.7601 -9.7601 -9.7583 -9.7583 -2.9316 -2.9316 -2.9315 -2.9315 -0.9261 -0.9261 -0.9227 -0.9227 0.0303 0.0303 0.0318 0.0318 0.6433 0.6433 0.6535 0.6535 1.5707 1.5707 1.5787 1.5787 2.3347 2.3347 2.3411 2.3411 3.4307 3.4307 3.4347 3.4347 4.0625 4.0625 4.0627 4.0627 4.7525 4.7525 4.7539 4.7539 12.2243 12.2243 12.2247 12.2247 12.3238 12.3238 12.3338 12.3338 13.3738 13.3738 k = 0.2074 0.3352 0.5380 ( 4332 PWs) bands (ev): -13.3015 -13.3015 -13.3014 -13.3014 -9.8194 -9.8194 -9.8179 -9.8179 -9.7162 -9.7162 -9.7143 -9.7143 -2.9952 -2.9952 -2.9950 -2.9950 -0.8603 -0.8603 -0.8566 -0.8566 -0.0059 -0.0059 -0.0046 -0.0046 0.6395 0.6395 0.6500 0.6500 1.5826 1.5826 1.5902 1.5902 2.3507 2.3507 2.3573 2.3573 3.4318 3.4318 3.4361 3.4361 4.0525 4.0525 4.0527 4.0527 4.7878 4.7878 4.7890 4.7890 12.1990 12.1990 12.1993 12.1993 12.2704 12.2704 12.2799 12.2799 13.4027 13.4027 k = 0.1988 0.3213 0.5380 ( 4328 PWs) bands (ev): -13.3059 -13.3059 -13.3057 -13.3057 -9.8460 -9.8460 -9.8445 -9.8445 -9.6720 -9.6720 -9.6701 -9.6701 -3.0591 -3.0591 -3.0589 -3.0589 -0.7973 -0.7973 -0.7932 -0.7932 -0.0418 -0.0418 -0.0407 -0.0407 0.6365 0.6365 0.6472 0.6472 1.5952 1.5952 1.6024 1.6024 2.3681 2.3681 2.3749 2.3749 3.4332 3.4332 3.4379 3.4379 4.0437 4.0437 4.0439 4.0439 4.8226 4.8226 4.8236 4.8236 12.1747 12.1747 12.1752 12.1752 12.2158 12.2158 12.2247 12.2247 13.4216 13.4216 k = 0.1901 0.3073 0.5380 ( 4328 PWs) bands (ev): -13.3102 -13.3102 -13.3101 -13.3101 -9.8716 -9.8716 -9.8702 -9.8702 -9.6276 -9.6276 -9.6258 -9.6258 -3.1231 -3.1231 -3.1228 -3.1228 -0.7372 -0.7372 -0.7328 -0.7328 -0.0773 -0.0773 -0.0763 -0.0763 0.6343 0.6343 0.6452 0.6452 1.6084 1.6084 1.6153 1.6153 2.3868 2.3868 2.3937 2.3937 3.4351 3.4351 3.4401 3.4401 4.0359 4.0359 4.0360 4.0360 4.8567 4.8567 4.8575 4.8575 12.1505 12.1505 12.1525 12.1525 12.1618 12.1618 12.1686 12.1686 13.4291 13.4291 k = 0.1815 0.2933 0.5380 ( 4328 PWs) bands (ev): -13.3145 -13.3145 -13.3144 -13.3144 -9.8963 -9.8963 -9.8950 -9.8950 -9.5834 -9.5834 -9.5815 -9.5815 -3.1871 -3.1871 -3.1867 -3.1867 -0.6802 -0.6802 -0.6756 -0.6756 -0.1121 -0.1121 -0.1113 -0.1113 0.6330 0.6330 0.6441 0.6441 1.6222 1.6222 1.6287 1.6287 2.4064 2.4064 2.4135 2.4135 3.4377 3.4377 3.4430 3.4430 4.0291 4.0291 4.0292 4.0292 4.8899 4.8899 4.8906 4.8906 12.1027 12.1027 12.1117 12.1117 12.1323 12.1323 12.1330 12.1330 13.4246 13.4246 k = 0.1729 0.2794 0.5380 ( 4332 PWs) bands (ev): -13.3187 -13.3187 -13.3186 -13.3186 -9.9200 -9.9200 -9.9187 -9.9187 -9.5392 -9.5392 -9.5374 -9.5374 -3.2507 -3.2507 -3.2503 -3.2503 -0.6266 -0.6266 -0.6217 -0.6217 -0.1461 -0.1461 -0.1455 -0.1455 0.6326 0.6326 0.6438 0.6438 1.6364 1.6364 1.6425 1.6425 2.4267 2.4267 2.4339 2.4339 3.4411 3.4411 3.4466 3.4466 4.0232 4.0232 4.0232 4.0232 4.9222 4.9222 4.9227 4.9227 12.0469 12.0469 12.0552 12.0552 12.1136 12.1136 12.1141 12.1141 13.4085 13.4085 k = 0.1642 0.2654 0.5380 ( 4332 PWs) bands (ev): -13.3229 -13.3229 -13.3228 -13.3228 -9.9427 -9.9427 -9.9414 -9.9414 -9.4955 -9.4955 -9.4937 -9.4937 -3.3138 -3.3138 -3.3133 -3.3133 -0.5763 -0.5763 -0.5712 -0.5712 -0.1792 -0.1792 -0.1787 -0.1787 0.6332 0.6332 0.6445 0.6445 1.6508 1.6508 1.6565 1.6565 2.4474 2.4474 2.4546 2.4546 3.4454 3.4454 3.4512 3.4512 4.0181 4.0181 4.0181 4.0181 4.9535 4.9535 4.9538 4.9538 11.9913 11.9913 11.9991 11.9991 12.0973 12.0973 12.0978 12.0978 13.3823 13.3823 k = 0.1556 0.2514 0.5380 ( 4336 PWs) bands (ev): -13.3269 -13.3269 -13.3268 -13.3268 -9.9643 -9.9643 -9.9631 -9.9631 -9.4522 -9.4522 -9.4504 -9.4504 -3.3760 -3.3760 -3.3755 -3.3755 -0.5296 -0.5296 -0.5243 -0.5243 -0.2112 -0.2112 -0.2108 -0.2108 0.6349 0.6349 0.6461 0.6461 1.6653 1.6653 1.6707 1.6707 2.4681 2.4681 2.4753 2.4753 3.4508 3.4508 3.4568 3.4568 4.0137 4.0137 4.0138 4.0138 4.9836 4.9836 4.9838 4.9838 11.9364 11.9364 11.9438 11.9438 12.0834 12.0834 12.0839 12.0839 13.3480 13.3480 k = 0.1469 0.2375 0.5380 ( 4344 PWs) bands (ev): -13.3309 -13.3309 -13.3308 -13.3308 -9.9848 -9.9848 -9.9837 -9.9837 -9.4096 -9.4096 -9.4078 -9.4078 -3.4372 -3.4372 -3.4366 -3.4366 -0.4864 -0.4864 -0.4809 -0.4809 -0.2420 -0.2420 -0.2417 -0.2417 0.6375 0.6375 0.6487 0.6487 1.6799 1.6799 1.6849 1.6849 2.4885 2.4885 2.4958 2.4958 3.4574 3.4574 3.4636 3.4636 4.0100 4.0100 4.0101 4.0101 5.0124 5.0124 5.0125 5.0125 11.8827 11.8827 11.8897 11.8897 12.0718 12.0718 12.0723 12.0723 13.3077 13.3077 k = 0.1383 0.2235 0.5380 ( 4348 PWs) bands (ev): -13.3347 -13.3347 -13.3346 -13.3346 -10.0043 -10.0043 -10.0032 -10.0032 -9.3678 -9.3678 -9.3661 -9.3661 -3.4969 -3.4969 -3.4964 -3.4964 -0.4468 -0.4468 -0.4412 -0.4412 -0.2714 -0.2714 -0.2712 -0.2712 0.6412 0.6412 0.6522 0.6522 1.6943 1.6943 1.6990 1.6990 2.5084 2.5084 2.5156 2.5156 3.4654 3.4654 3.4717 3.4717 4.0069 4.0069 4.0071 4.0071 5.0399 5.0399 5.0399 5.0399 11.8305 11.8305 11.8370 11.8370 12.0625 12.0625 12.0631 12.0631 13.2637 13.2637 k = 0.1296 0.2095 0.5380 ( 4352 PWs) bands (ev): -13.3384 -13.3384 -13.3383 -13.3383 -10.0226 -10.0226 -10.0216 -10.0216 -9.3271 -9.3271 -9.3255 -9.3255 -3.5551 -3.5551 -3.5545 -3.5545 -0.4107 -0.4107 -0.4051 -0.4051 -0.2995 -0.2995 -0.2993 -0.2993 0.6458 0.6458 0.6565 0.6565 1.7085 1.7085 1.7129 1.7129 2.5274 2.5274 2.5345 2.5345 3.4746 3.4746 3.4810 3.4810 4.0044 4.0044 4.0046 4.0046 5.0658 5.0658 5.0660 5.0660 11.7800 11.7800 11.7861 11.7861 12.0555 12.0555 12.0561 12.0561 13.2176 13.2176 k = 0.1210 0.1956 0.5380 ( 4348 PWs) bands (ev): -13.3419 -13.3419 -13.3418 -13.3418 -10.0398 -10.0398 -10.0389 -10.0389 -9.2876 -9.2876 -9.2861 -9.2861 -3.6113 -3.6113 -3.6107 -3.6107 -0.3782 -0.3782 -0.3725 -0.3725 -0.3259 -0.3259 -0.3259 -0.3259 0.6512 0.6512 0.6617 0.6617 1.7224 1.7224 1.7265 1.7265 2.5452 2.5452 2.5522 2.5522 3.4852 3.4852 3.4916 3.4916 4.0024 4.0024 4.0026 4.0026 5.0903 5.0903 5.0905 5.0905 11.7315 11.7315 11.7372 11.7372 12.0506 12.0506 12.0512 12.0512 13.1710 13.1710 k = 0.1124 0.1816 0.5380 ( 4348 PWs) bands (ev): -13.3453 -13.3453 -13.3452 -13.3452 -10.0559 -10.0559 -10.0550 -10.0550 -9.2496 -9.2496 -9.2481 -9.2481 -3.6654 -3.6654 -3.6647 -3.6647 -0.3538 -0.3538 -0.3513 -0.3513 -0.3459 -0.3459 -0.3429 -0.3429 0.6574 0.6574 0.6674 0.6674 1.7358 1.7358 1.7395 1.7395 2.5618 2.5618 2.5685 2.5685 3.4970 3.4970 3.5033 3.5033 4.0008 4.0008 4.0010 4.0010 5.1132 5.1132 5.1136 5.1136 11.6854 11.6854 11.6907 11.6907 12.0476 12.0476 12.0482 12.0482 13.1252 13.1252 k = 0.1037 0.1676 0.5380 ( 4344 PWs) bands (ev): -13.3484 -13.3484 -13.3483 -13.3483 -10.0707 -10.0707 -10.0699 -10.0699 -9.2132 -9.2132 -9.2118 -9.2118 -3.7169 -3.7169 -3.7163 -3.7163 -0.3747 -0.3747 -0.3744 -0.3744 -0.3222 -0.3222 -0.3172 -0.3172 0.6642 0.6642 0.6737 0.6737 1.7486 1.7486 1.7521 1.7521 2.5768 2.5768 2.5833 2.5833 3.5099 3.5099 3.5161 3.5161 3.9996 3.9996 3.9998 3.9998 5.1346 5.1346 5.1350 5.1350 11.6418 11.6418 11.6467 11.6467 12.0463 12.0463 12.0469 12.0469 13.0813 13.0813 k = 0.0951 0.1536 0.5380 ( 4336 PWs) bands (ev): -13.3514 -13.3514 -13.3513 -13.3513 -10.0845 -10.0845 -10.0837 -10.0837 -9.1787 -9.1787 -9.1774 -9.1774 -3.7656 -3.7656 -3.7650 -3.7650 -0.3963 -0.3963 -0.3961 -0.3961 -0.2992 -0.2992 -0.2944 -0.2944 0.6714 0.6714 0.6804 0.6804 1.7608 1.7608 1.7640 1.7640 2.5903 2.5903 2.5965 2.5965 3.5237 3.5237 3.5296 3.5296 3.9987 3.9987 3.9989 3.9989 5.1543 5.1543 5.1547 5.1547 11.6009 11.6009 11.6054 11.6054 12.0464 12.0464 12.0471 12.0471 13.0401 13.0401 k = 0.0864 0.1397 0.5380 ( 4336 PWs) bands (ev): -13.3542 -13.3542 -13.3541 -13.3541 -10.0970 -10.0970 -10.0963 -10.0963 -9.1463 -9.1463 -9.1450 -9.1450 -3.8113 -3.8113 -3.8107 -3.8107 -0.4161 -0.4161 -0.4160 -0.4160 -0.2790 -0.2790 -0.2744 -0.2744 0.6789 0.6789 0.6873 0.6873 1.7723 1.7723 1.7752 1.7752 2.6022 2.6022 2.6080 2.6080 3.5380 3.5380 3.5436 3.5436 3.9981 3.9981 3.9983 3.9983 5.1723 5.1723 5.1728 5.1728 11.5630 11.5630 11.5670 11.5670 12.0477 12.0477 12.0483 12.0483 13.0021 13.0021 k = 0.0778 0.1257 0.5380 ( 4336 PWs) bands (ev): -13.3567 -13.3567 -13.3566 -13.3566 -10.1084 -10.1084 -10.1078 -10.1078 -9.1161 -9.1161 -9.1150 -9.1150 -3.8536 -3.8536 -3.8531 -3.8531 -0.4342 -0.4342 -0.4341 -0.4341 -0.2614 -0.2614 -0.2571 -0.2571 0.6865 0.6865 0.6942 0.6942 1.7830 1.7830 1.7855 1.7855 2.6125 2.6125 2.6179 2.6179 3.5526 3.5526 3.5578 3.5578 3.9977 3.9977 3.9979 3.9979 5.1886 5.1886 5.1891 5.1891 11.5281 11.5281 11.5318 11.5318 12.0497 12.0497 12.0503 12.0503 12.9680 12.9680 k = 0.0691 0.1117 0.5380 ( 4344 PWs) bands (ev): -13.3590 -13.3590 -13.3589 -13.3589 -10.1186 -10.1186 -10.1180 -10.1180 -9.0885 -9.0885 -9.0874 -9.0874 -3.8923 -3.8923 -3.8918 -3.8918 -0.4505 -0.4505 -0.4504 -0.4504 -0.2463 -0.2463 -0.2424 -0.2424 0.6939 0.6939 0.7009 0.7009 1.7927 1.7927 1.7950 1.7950 2.6214 2.6214 2.6262 2.6262 3.5671 3.5671 3.5719 3.5719 3.9974 3.9974 3.9976 3.9976 5.2032 5.2032 5.2037 5.2037 11.4966 11.4966 11.4998 11.4998 12.0522 12.0522 12.0527 12.0527 12.9380 12.9380 k = 0.0605 0.0978 0.5380 ( 4340 PWs) bands (ev): -13.3611 -13.3611 -13.3610 -13.3610 -10.1276 -10.1276 -10.1271 -10.1271 -9.0635 -9.0635 -9.0626 -9.0626 -3.9272 -3.9272 -3.9267 -3.9267 -0.4649 -0.4649 -0.4649 -0.4649 -0.2334 -0.2334 -0.2299 -0.2299 0.7010 0.7010 0.7072 0.7072 1.8015 1.8015 1.8035 1.8035 2.6288 2.6288 2.6331 2.6331 3.5810 3.5810 3.5854 3.5854 3.9973 3.9973 3.9975 3.9975 5.2161 5.2161 5.2166 5.2166 11.4684 11.4684 11.4712 11.4712 12.0549 12.0549 12.0554 12.0554 12.9123 12.9123 k = 0.0519 0.0838 0.5380 ( 4336 PWs) bands (ev): -13.3628 -13.3628 -13.3628 -13.3628 -10.1353 -10.1353 -10.1349 -10.1349 -9.0414 -9.0414 -9.0406 -9.0406 -3.9579 -3.9579 -3.9574 -3.9574 -0.4775 -0.4775 -0.4774 -0.4774 -0.2226 -0.2226 -0.2195 -0.2195 0.7077 0.7077 0.7131 0.7131 1.8093 1.8093 1.8110 1.8110 2.6349 2.6349 2.6386 2.6386 3.5942 3.5942 3.5980 3.5980 3.9973 3.9973 3.9974 3.9974 5.2272 5.2272 5.2277 5.2277 11.4438 11.4438 11.4462 11.4462 12.0575 12.0575 12.0579 12.0579 12.8908 12.8909 k = 0.0432 0.0698 0.5380 ( 4342 PWs) bands (ev): -13.3644 -13.3644 -13.3643 -13.3643 -10.1419 -10.1419 -10.1416 -10.1416 -9.0224 -9.0224 -9.0217 -9.0217 -3.9843 -3.9843 -3.9839 -3.9839 -0.4881 -0.4881 -0.4881 -0.4881 -0.2137 -0.2137 -0.2111 -0.2111 0.7137 0.7137 0.7182 0.7182 1.8159 1.8159 1.8174 1.8174 2.6398 2.6398 2.6430 2.6430 3.6060 3.6060 3.6093 3.6093 3.9973 3.9973 3.9974 3.9974 5.2367 5.2367 5.2371 5.2371 11.4228 11.4228 11.4248 11.4248 12.0598 12.0598 12.0602 12.0602 12.8736 12.8736 k = 0.0346 0.0559 0.5380 ( 4342 PWs) bands (ev): -13.3656 -13.3656 -13.3656 -13.3656 -10.1473 -10.1473 -10.1470 -10.1470 -9.0066 -9.0066 -9.0061 -9.0061 -4.0061 -4.0061 -4.0058 -4.0058 -0.4969 -0.4969 -0.4969 -0.4969 -0.2066 -0.2066 -0.2045 -0.2045 0.7189 0.7189 0.7225 0.7225 1.8215 1.8215 1.8226 1.8226 2.6437 2.6437 2.6463 2.6463 3.6163 3.6163 3.6189 3.6189 3.9974 3.9974 3.9975 3.9975 5.2444 5.2444 5.2447 5.2447 11.4055 11.4055 11.4071 11.4071 12.0618 12.0618 12.0621 12.0621 12.8602 12.8602 k = 0.0259 0.0419 0.5380 ( 4332 PWs) bands (ev): -13.3666 -13.3666 -13.3666 -13.3666 -10.1515 -10.1515 -10.1513 -10.1513 -8.9942 -8.9942 -8.9938 -8.9938 -4.0233 -4.0233 -4.0230 -4.0230 -0.5037 -0.5037 -0.5037 -0.5037 -0.2011 -0.2011 -0.1995 -0.1995 0.7232 0.7232 0.7259 0.7259 1.8259 1.8259 1.8267 1.8267 2.6467 2.6467 2.6487 2.6487 3.6247 3.6247 3.6267 3.6267 3.9975 3.9975 3.9976 3.9976 5.2504 5.2504 5.2507 5.2507 11.3920 11.3920 11.3932 11.3932 12.0634 12.0634 12.0636 12.0636 12.8504 12.8505 k = 0.0173 0.0279 0.5380 ( 4340 PWs) bands (ev): -13.3673 -13.3673 -13.3673 -13.3673 -10.1545 -10.1545 -10.1543 -10.1543 -8.9852 -8.9852 -8.9849 -8.9849 -4.0356 -4.0356 -4.0355 -4.0355 -0.5085 -0.5085 -0.5085 -0.5085 -0.1972 -0.1972 -0.1962 -0.1962 0.7265 0.7265 0.7283 0.7283 1.8291 1.8291 1.8297 1.8297 2.6489 2.6489 2.6502 2.6502 3.6310 3.6310 3.6323 3.6323 3.9975 3.9975 3.9976 3.9976 5.2547 5.2547 5.2549 5.2549 11.3824 11.3824 11.3832 11.3832 12.0644 12.0644 12.0646 12.0646 12.8437 12.8437 k = 0.0086 0.0140 0.5380 ( 4340 PWs) bands (ev): -13.3678 -13.3678 -13.3678 -13.3678 -10.1563 -10.1563 -10.1562 -10.1562 -8.9797 -8.9797 -8.9796 -8.9796 -4.0431 -4.0431 -4.0430 -4.0430 -0.5115 -0.5115 -0.5115 -0.5115 -0.1948 -0.1948 -0.1942 -0.1942 0.7286 0.7286 0.7296 0.7296 1.8311 1.8311 1.8314 1.8314 2.6503 2.6503 2.6509 2.6509 3.6350 3.6350 3.6356 3.6356 3.9976 3.9976 3.9976 3.9976 5.2572 5.2572 5.2573 5.2573 11.3767 11.3767 11.3771 11.3771 12.0651 12.0651 12.0652 12.0652 12.8399 12.8399 k = 0.0000 0.0000 0.5380 ( 4348 PWs) bands (ev): -13.3679 -13.3679 -13.3679 -13.3679 -10.1568 -10.1568 -10.1568 -10.1568 -8.9779 -8.9779 -8.9779 -8.9779 -4.0455 -4.0455 -4.0455 -4.0455 -0.5125 -0.5125 -0.5125 -0.5125 -0.1938 -0.1938 -0.1938 -0.1938 0.7297 0.7297 0.7297 0.7297 1.8318 1.8318 1.8318 1.8318 2.6509 2.6509 2.6509 2.6509 3.6365 3.6365 3.6365 3.6365 3.9976 3.9976 3.9976 3.9976 5.2581 5.2581 5.2581 5.2581 11.3750 11.3750 11.3750 11.3750 12.0653 12.0653 12.0653 12.0653 12.8386 12.8386 k = 0.0000 0.0000 0.5380 ( 4348 PWs) bands (ev): -13.3679 -13.3679 -13.3679 -13.3679 -10.1568 -10.1568 -10.1568 -10.1568 -8.9779 -8.9779 -8.9779 -8.9779 -4.0455 -4.0455 -4.0455 -4.0455 -0.5125 -0.5125 -0.5125 -0.5125 -0.1938 -0.1938 -0.1938 -0.1938 0.7297 0.7297 0.7297 0.7297 1.8318 1.8318 1.8318 1.8318 2.6509 2.6509 2.6509 2.6509 3.6365 3.6365 3.6365 3.6365 3.9976 3.9976 3.9976 3.9976 5.2581 5.2581 5.2581 5.2581 11.3750 11.3750 11.3750 11.3750 12.0653 12.0653 12.0653 12.0653 12.8386 12.8386 k = 0.0000 0.0000 0.5217 ( 4356 PWs) bands (ev): -13.3819 -13.3819 -13.3540 -13.3540 -10.1974 -10.1974 -10.1151 -10.1151 -8.9824 -8.9824 -8.9739 -8.9739 -4.0461 -4.0461 -4.0422 -4.0422 -0.5353 -0.5353 -0.4893 -0.4893 -0.2949 -0.2949 -0.1021 -0.1021 0.7328 0.7328 0.7360 0.7360 1.8053 1.8053 1.8536 1.8536 2.6500 2.6500 2.6535 2.6535 3.6268 3.6268 3.6460 3.6460 3.9732 3.9732 4.0210 4.0210 5.2385 5.2385 5.2765 5.2765 11.3738 11.3738 11.3860 11.3860 12.0563 12.0563 12.0735 12.0735 12.7993 12.7993 k = 0.0000 0.0000 0.5054 ( 4352 PWs) bands (ev): -13.3961 -13.3961 -13.3403 -13.3403 -10.2369 -10.2369 -10.0724 -10.0724 -8.9875 -8.9875 -8.9704 -8.9704 -4.0441 -4.0441 -4.0363 -4.0363 -0.5577 -0.5577 -0.4659 -0.4659 -0.4027 -0.4027 -0.0227 -0.0227 0.7432 0.7432 0.7541 0.7541 1.7743 1.7743 1.8706 1.8706 2.6506 2.6506 2.6581 2.6581 3.6169 3.6169 3.6552 3.6552 3.9479 3.9479 4.0432 4.0432 5.2178 5.2178 5.2937 5.2937 11.3825 11.3825 11.4067 11.4067 12.0472 12.0472 12.0797 12.0797 12.7590 12.7590 k = 0.0000 0.0000 0.4891 ( 4348 PWs) bands (ev): -13.4103 -13.4103 -13.3268 -13.3268 -10.2752 -10.2752 -10.0286 -10.0286 -8.9930 -8.9930 -8.9675 -8.9675 -4.0395 -4.0395 -4.0276 -4.0276 -0.5795 -0.5795 -0.5156 -0.5156 -0.4419 -0.4419 0.0416 0.0416 0.7590 0.7590 0.7866 0.7866 1.7388 1.7388 1.8826 1.8826 2.6526 2.6526 2.6646 2.6646 3.6067 3.6067 3.6640 3.6640 3.9219 3.9219 4.0642 4.0642 5.1959 5.1959 5.3095 5.3095 11.4010 11.4010 11.4371 11.4371 12.0388 12.0388 12.0822 12.0822 12.7202 12.7202 k = 0.0000 0.0000 0.4728 ( 4344 PWs) bands (ev): -13.4246 -13.4246 -13.3135 -13.3135 -10.3122 -10.3122 -9.9839 -9.9839 -8.9990 -8.9990 -8.9651 -8.9651 -4.0325 -4.0325 -4.0163 -4.0163 -0.6313 -0.6313 -0.6007 -0.6007 -0.4182 -0.4182 0.0895 0.0895 0.7789 0.7789 0.8346 0.8346 1.6992 1.6992 1.8895 1.8895 2.6557 2.6557 2.6735 2.6735 3.5964 3.5964 3.6726 3.6726 3.8953 3.8953 4.0840 4.0840 5.1730 5.1730 5.3241 5.3241 11.4291 11.4291 11.4770 11.4770 12.0314 12.0314 12.0788 12.0788 12.6858 12.6858 k = 0.0000 0.0000 0.4565 ( 4338 PWs) bands (ev): -13.4389 -13.4389 -13.3005 -13.3005 -10.3480 -10.3480 -9.9384 -9.9384 -9.0055 -9.0055 -8.9633 -8.9633 -4.0230 -4.0230 -4.0023 -4.0023 -0.7491 -0.7491 -0.6212 -0.6212 -0.3945 -0.3945 0.1215 0.1215 0.8018 0.8018 0.8970 0.8970 1.6556 1.6556 1.8913 1.8913 2.6598 2.6598 2.6850 2.6850 3.5859 3.5859 3.6808 3.6808 3.8683 3.8683 4.1028 4.1028 5.1492 5.1492 5.3374 5.3374 11.4666 11.4666 11.5260 11.5260 12.0251 12.0251 12.0673 12.0673 12.6591 12.6591 k = 0.0000 0.0000 0.4402 ( 4332 PWs) bands (ev): -13.4531 -13.4531 -13.2878 -13.2878 -10.3826 -10.3826 -9.8921 -9.8921 -9.0123 -9.0123 -8.9620 -8.9620 -4.0112 -4.0112 -3.9857 -3.9857 -0.8680 -0.8680 -0.6409 -0.6409 -0.3708 -0.3708 0.1399 0.1399 0.8272 0.8272 0.9711 0.9711 1.6082 1.6082 1.8880 1.8880 2.6647 2.6647 2.6992 2.6992 3.5753 3.5753 3.6888 3.6888 3.8414 3.8414 4.1204 4.1204 5.1245 5.1245 5.3494 5.3494 11.5134 11.5134 11.5838 11.5838 12.0202 12.0202 12.0457 12.0457 12.6424 12.6424 k = 0.0000 0.0000 0.4239 ( 4340 PWs) bands (ev): -13.4673 -13.4673 -13.2754 -13.2754 -10.4159 -10.4159 -9.8451 -9.8451 -9.0195 -9.0195 -8.9612 -8.9612 -3.9973 -3.9973 -3.9665 -3.9665 -0.9872 -0.9872 -0.6596 -0.6596 -0.3474 -0.3474 0.1479 0.1479 0.8545 0.8545 1.0534 1.0534 1.5574 1.5574 1.8794 1.8794 2.6703 2.6703 2.7164 2.7164 3.5646 3.5646 3.6963 3.6963 3.8147 3.8147 4.1370 4.1370 5.0991 5.0991 5.3602 5.3602 11.5691 11.5691 11.6500 11.6500 12.0130 12.0130 12.0167 12.0167 12.6373 12.6373 k = 0.0000 0.0000 0.4076 ( 4332 PWs) bands (ev): -13.4813 -13.4813 -13.2634 -13.2634 -10.4478 -10.4478 -9.7975 -9.7975 -9.0270 -9.0270 -8.9609 -8.9609 -3.9813 -3.9813 -3.9448 -3.9448 -1.1062 -1.1062 -0.6774 -0.6774 -0.3241 -0.3241 0.1483 0.1483 0.8833 0.8833 1.1404 1.1404 1.5034 1.5034 1.8658 1.8658 2.6764 2.6764 2.7370 2.7370 3.5538 3.5538 3.7035 3.7035 3.7885 3.7885 4.1527 4.1527 5.0731 5.0731 5.3697 5.3697 11.6333 11.6333 11.7242 11.7242 11.9702 11.9702 12.0144 12.0144 12.6436 12.6436 k = 0.0000 0.0000 0.3913 ( 4328 PWs) bands (ev): -13.4952 -13.4952 -13.2517 -13.2517 -10.4785 -10.4785 -9.7495 -9.7495 -9.0348 -9.0348 -8.9611 -8.9611 -3.9634 -3.9634 -3.9207 -3.9207 -1.2245 -1.2245 -0.6942 -0.6942 -0.3013 -0.3013 0.1434 0.1434 0.9133 0.9133 1.2293 1.2293 1.4464 1.4464 1.8471 1.8471 2.6828 2.6828 2.7611 2.7611 3.5430 3.5430 3.7102 3.7102 3.7632 3.7632 4.1677 4.1677 5.0466 5.0466 5.3782 5.3782 11.7056 11.7056 11.8058 11.8058 11.9184 11.9184 12.0135 12.0135 12.6602 12.6602 k = 0.0000 0.0000 0.3750 ( 4322 PWs) bands (ev): -13.5090 -13.5090 -13.2404 -13.2404 -10.5079 -10.5079 -9.7012 -9.7012 -9.0427 -9.0427 -8.9617 -8.9617 -3.9438 -3.9438 -3.8944 -3.8944 -1.3416 -1.3416 -0.7097 -0.7097 -0.2789 -0.2789 0.1349 0.1349 0.9443 0.9443 1.3180 1.3180 1.3869 1.3869 1.8235 1.8235 2.6894 2.6894 2.7891 2.7891 3.5322 3.5322 3.7159 3.7159 3.7396 3.7396 4.1819 4.1819 5.0197 5.0197 5.3855 5.3855 11.7856 11.7856 11.8595 11.8595 11.8942 11.8942 12.0137 12.0137 12.6855 12.6855 k = 0.0000 0.0000 0.3587 ( 4320 PWs) bands (ev): -13.5224 -13.5224 -13.2294 -13.2294 -10.5359 -10.5359 -9.6526 -9.6526 -9.0509 -9.0509 -8.9628 -8.9628 -3.9226 -3.9226 -3.8660 -3.8660 -1.4571 -1.4571 -0.7241 -0.7241 -0.2571 -0.2571 0.1239 0.1239 0.9761 0.9761 1.3250 1.3250 1.4048 1.4048 1.7953 1.7953 2.6960 2.6960 2.8211 2.8211 3.5215 3.5215 3.7114 3.7114 3.7272 3.7272 4.1955 4.1955 4.9926 4.9926 5.3919 5.3919 11.7956 11.7956 11.8729 11.8729 11.9886 11.9886 12.0150 12.0150 12.7178 12.7178 k = 0.0000 0.0000 0.3424 ( 4322 PWs) bands (ev): -13.5356 -13.5356 -13.2189 -13.2189 -10.5626 -10.5626 -9.6039 -9.6039 -9.0591 -9.0591 -8.9642 -8.9642 -3.9001 -3.9001 -3.8355 -3.8355 -1.5707 -1.5707 -0.7372 -0.7372 -0.2359 -0.2359 0.1113 0.1113 1.0085 1.0085 1.2613 1.2613 1.4882 1.4882 1.7626 1.7626 2.7024 2.7024 2.8574 2.8574 3.5108 3.5108 3.6914 3.6914 3.7314 3.7314 4.2085 4.2085 4.9655 4.9655 5.3973 5.3973 11.7281 11.7281 11.9668 11.9668 12.0170 12.0170 12.0884 12.0884 12.7556 12.7556 k = 0.0000 0.0000 0.3260 ( 4318 PWs) bands (ev): -13.5486 -13.5486 -13.2088 -13.2088 -10.5881 -10.5881 -9.5554 -9.5554 -9.0674 -9.0674 -8.9659 -8.9659 -3.8764 -3.8764 -3.8033 -3.8033 -1.6820 -1.6820 -0.7490 -0.7490 -0.2155 -0.2155 0.0978 0.0978 1.0412 1.0412 1.1961 1.1961 1.5674 1.5674 1.7259 1.7259 2.7085 2.7085 2.8979 2.8979 3.5003 3.5003 3.6712 3.6712 3.7369 3.7369 4.2211 4.2211 4.9384 4.9384 5.4019 5.4019 11.6584 11.6584 12.0197 12.0197 12.0670 12.0670 12.1920 12.1920 12.7979 12.7979 k = 0.0000 0.0000 0.3097 ( 4318 PWs) bands (ev): -13.5611 -13.5611 -13.1992 -13.1992 -10.6122 -10.6122 -9.5071 -9.5071 -9.0757 -9.0757 -8.9679 -8.9679 -3.8517 -3.8517 -3.7694 -3.7694 -1.7907 -1.7907 -0.7594 -0.7594 -0.1958 -0.1958 0.0838 0.0838 1.0742 1.0742 1.1299 1.1299 1.6414 1.6414 1.6855 1.6855 2.7142 2.7142 2.9426 2.9426 3.4900 3.4900 3.6523 3.6523 3.7426 3.7426 4.2334 4.2334 4.9115 4.9115 5.4058 5.4058 11.5873 11.5873 12.0229 12.0229 12.1728 12.1728 12.2977 12.2977 12.8436 12.8436 k = 0.0000 0.0000 0.2934 ( 4322 PWs) bands (ev): -13.5733 -13.5733 -13.1900 -13.1900 -10.6350 -10.6350 -9.4593 -9.4593 -9.0840 -9.0840 -8.9702 -8.9702 -3.8262 -3.8262 -3.7341 -3.7341 -1.8964 -1.8964 -0.7684 -0.7684 -0.1772 -0.1772 0.0695 0.0695 1.0627 1.0627 1.1077 1.1077 1.6418 1.6418 1.7101 1.7101 2.7192 2.7192 2.9912 2.9912 3.4799 3.4799 3.6349 3.6349 3.7481 3.7481 4.2453 4.2453 4.8849 4.8849 5.4090 5.4090 11.5158 11.5158 12.0263 12.0263 12.2838 12.2838 12.4020 12.4020 12.8816 12.8816 k = 0.0000 0.0000 0.2771 ( 4334 PWs) bands (ev): -13.5850 -13.5850 -13.1813 -13.1813 -10.6565 -10.6565 -9.4121 -9.4121 -9.0921 -9.0921 -8.9726 -8.9726 -3.8003 -3.8003 -3.6977 -3.6977 -1.9989 -1.9989 -0.7759 -0.7759 -0.1595 -0.1595 0.0554 0.0554 0.9957 0.9957 1.1407 1.1407 1.5954 1.5954 1.7729 1.7729 2.7236 2.7236 3.0433 3.0433 3.4701 3.4701 3.6190 3.6190 3.7535 3.7535 4.2568 4.2568 4.8589 4.8589 5.4117 5.4117 11.4444 11.4444 12.0298 12.0298 12.3992 12.3992 12.4983 12.4983 12.8722 12.8722 k = 0.0000 0.0000 0.2608 ( 4334 PWs) bands (ev): -13.5963 -13.5963 -13.1730 -13.1730 -10.6767 -10.6767 -9.3657 -9.3657 -9.1001 -9.1001 -8.9752 -8.9752 -3.7740 -3.7740 -3.6604 -3.6604 -2.0979 -2.0979 -0.7820 -0.7820 -0.1430 -0.1430 0.0414 0.0414 0.9288 0.9288 1.1737 1.1737 1.5468 1.5468 1.8299 1.8299 2.7271 2.7271 3.0983 3.0983 3.4607 3.4607 3.6047 3.6047 3.7589 3.7589 4.2681 4.2681 4.8335 4.8335 5.4140 5.4140 11.3737 11.3737 12.0331 12.0331 12.5184 12.5184 12.5724 12.5724 12.8634 12.8634 k = 0.0000 0.0000 0.2445 ( 4334 PWs) bands (ev): -13.6071 -13.6071 -13.1652 -13.1652 -10.6956 -10.6956 -9.3204 -9.3204 -9.1079 -9.1079 -8.9779 -8.9779 -3.7477 -3.7477 -3.6224 -3.6224 -2.1930 -2.1930 -0.7866 -0.7866 -0.1277 -0.1277 0.0279 0.0279 0.8628 0.8628 1.2063 1.2063 1.4965 1.4965 1.8813 1.8813 2.7297 2.7297 3.1554 3.1554 3.4517 3.4517 3.5918 3.5918 3.7642 3.7642 4.2791 4.2791 4.8088 4.8088 5.4160 5.4160 11.3043 11.3043 12.0362 12.0362 12.6028 12.6028 12.6415 12.6415 12.8567 12.8567 k = 0.0000 0.0000 0.2282 ( 4334 PWs) bands (ev): -13.6173 -13.6173 -13.1579 -13.1579 -10.7132 -10.7132 -9.2764 -9.2764 -9.1154 -9.1154 -8.9807 -8.9807 -3.7216 -3.7216 -3.5842 -3.5842 -2.2839 -2.2839 -0.7897 -0.7897 -0.1139 -0.1139 0.0149 0.0149 0.7982 0.7982 1.2384 1.2384 1.4452 1.4452 1.9274 1.9274 2.7314 2.7314 3.2135 3.2135 3.4435 3.4435 3.5804 3.5804 3.7694 3.7694 4.2897 4.2897 4.7851 4.7851 5.4178 5.4178 11.2366 11.2366 12.0388 12.0388 12.5865 12.5865 12.7664 12.7664 12.8522 12.8522 k = 0.0000 0.0000 0.2119 ( 4334 PWs) bands (ev): -13.6270 -13.6270 -13.1510 -13.1510 -10.7296 -10.7296 -9.2339 -9.2339 -9.1226 -9.1226 -8.9835 -8.9835 -3.6959 -3.6959 -3.5460 -3.5460 -2.3703 -2.3703 -0.7915 -0.7915 -0.1015 -0.1015 0.0025 0.0025 0.7354 0.7354 1.2697 1.2697 1.3934 1.3934 1.9685 1.9685 2.7321 2.7321 3.2713 3.2713 3.4365 3.4365 3.5702 3.5702 3.7746 3.7746 4.3000 4.3000 4.7623 4.7623 5.4194 5.4194 11.1711 11.1711 12.0410 12.0410 12.5423 12.5423 12.8498 12.8498 12.8935 12.8935 k = 0.0000 0.0000 0.1956 ( 4322 PWs) bands (ev): -13.6361 -13.6361 -13.1447 -13.1447 -10.7448 -10.7448 -9.1932 -9.1932 -9.1294 -9.1294 -8.9863 -8.9863 -3.6709 -3.6709 -3.5081 -3.5081 -2.4520 -2.4520 -0.7919 -0.7919 -0.0907 -0.0907 -0.0092 -0.0092 0.6751 0.6751 1.3001 1.3001 1.3418 1.3418 2.0049 2.0049 2.7318 2.7318 3.3264 3.3264 3.4322 3.4322 3.5613 3.5613 3.7797 3.7797 4.3099 4.3099 4.7407 4.7407 5.4210 5.4210 11.1081 11.1081 12.0426 12.0426 12.4873 12.4873 12.8497 12.8497 13.0216 13.0216 k = 0.0000 0.0000 0.1793 ( 4322 PWs) bands (ev): -13.6446 -13.6446 -13.1389 -13.1389 -10.7586 -10.7586 -9.1546 -9.1546 -9.1358 -9.1358 -8.9890 -8.9890 -3.6468 -3.6468 -3.4711 -3.4711 -2.5285 -2.5285 -0.7911 -0.7911 -0.0817 -0.0817 -0.0201 -0.0201 0.6180 0.6180 1.2909 1.2909 1.3295 1.3295 2.0371 2.0371 2.7307 2.7307 3.3714 3.3714 3.4371 3.4371 3.5536 3.5536 3.7848 3.7848 4.3194 4.3194 4.7204 4.7204 5.4226 5.4226 11.0482 11.0482 12.0436 12.0436 12.4298 12.4298 12.8518 12.8518 13.1500 13.1500 k = 0.0000 0.0000 0.1630 ( 4318 PWs) bands (ev): -13.6524 -13.6524 -13.1335 -13.1335 -10.7713 -10.7713 -9.1421 -9.1421 -9.1179 -9.1179 -8.9916 -8.9916 -3.6239 -3.6239 -3.4352 -3.4352 -2.5996 -2.5996 -0.7893 -0.7893 -0.0745 -0.0745 -0.0303 -0.0303 0.5645 0.5645 1.2415 1.2415 1.3575 1.3575 2.0655 2.0655 2.7288 2.7288 3.3901 3.3901 3.4666 3.4666 3.5470 3.5470 3.7898 3.7898 4.3283 4.3283 4.7014 4.7014 5.4242 5.4242 10.9917 10.9917 12.0441 12.0441 12.3735 12.3735 12.8558 12.8558 13.2776 13.2776 k = 0.0000 0.0000 0.1467 ( 4314 PWs) bands (ev): -13.6596 -13.6596 -13.1287 -13.1287 -10.7827 -10.7827 -9.1476 -9.1476 -9.0841 -9.0841 -8.9941 -8.9941 -3.6024 -3.6024 -3.4009 -3.4009 -2.6651 -2.6651 -0.7865 -0.7865 -0.0693 -0.0693 -0.0396 -0.0396 0.5154 0.5154 1.1942 1.1942 1.3839 1.3839 2.0904 2.0904 2.7261 2.7261 3.3907 3.3907 3.5108 3.5108 3.5422 3.5422 3.7946 3.7946 4.3366 4.3366 4.6838 4.6838 5.4259 5.4259 10.9390 10.9390 12.0441 12.0441 12.3203 12.3203 12.8614 12.8614 13.3432 13.3432 k = 0.0000 0.0000 0.1304 ( 4318 PWs) bands (ev): -13.6661 -13.6661 -13.1243 -13.1243 -10.7928 -10.7928 -9.1527 -9.1527 -9.0530 -9.0530 -8.9964 -8.9964 -3.5825 -3.5825 -3.3686 -3.3686 -2.7245 -2.7245 -0.7831 -0.7831 -0.0662 -0.0662 -0.0479 -0.0479 0.4711 0.4711 1.1496 1.1496 1.4085 1.4085 2.1120 2.1120 2.7230 2.7230 3.3872 3.3872 3.5336 3.5336 3.5606 3.5606 3.7992 3.7992 4.3443 4.3443 4.6678 4.6678 5.4277 5.4277 10.8906 10.8906 12.0437 12.0437 12.2713 12.2713 12.8683 12.8683 13.3828 13.3828 k = 0.0000 0.0000 0.1141 ( 4322 PWs) bands (ev): -13.6718 -13.6718 -13.1205 -13.1205 -10.8018 -10.8018 -9.1573 -9.1573 -9.0249 -9.0249 -8.9985 -8.9985 -3.5644 -3.5644 -3.3387 -3.3387 -2.7777 -2.7777 -0.7791 -0.7791 -0.0650 -0.0650 -0.0553 -0.0553 0.4321 0.4321 1.1084 1.1084 1.4309 1.4309 2.1306 2.1306 2.7195 2.7195 3.3829 3.3829 3.5306 3.5306 3.6028 3.6028 3.8036 3.8036 4.3513 4.3513 4.6535 4.6535 5.4294 5.4294 10.8467 10.8467 12.0431 12.0431 12.2271 12.2271 12.8760 12.8760 13.4179 13.4179 k = 0.0000 0.0000 0.0978 ( 4326 PWs) bands (ev): -13.6769 -13.6769 -13.1172 -13.1172 -10.8096 -10.8096 -9.1613 -9.1613 -9.0017 -9.0017 -8.9986 -8.9986 -3.5484 -3.5484 -3.3118 -3.3118 -2.8244 -2.8244 -0.7749 -0.7749 -0.0657 -0.0657 -0.0617 -0.0617 0.3986 0.3986 1.0711 1.0711 1.4511 1.4511 2.1465 2.1465 2.7158 2.7158 3.3787 3.3787 3.5273 3.5273 3.6416 3.6416 3.8076 3.8076 4.3576 4.3576 4.6408 4.6408 5.4312 5.4312 10.8079 10.8079 12.0422 12.0422 12.1881 12.1881 12.8842 12.8842 13.4483 13.4483 k = 0.0000 0.0000 0.0815 ( 4330 PWs) bands (ev): -13.6812 -13.6812 -13.1144 -13.1144 -10.8161 -10.8161 -9.1647 -9.1647 -9.0022 -9.0022 -8.9783 -8.9783 -3.5345 -3.5345 -3.2882 -3.2882 -2.8643 -2.8643 -0.7708 -0.7708 -0.0685 -0.0685 -0.0664 -0.0664 0.3709 0.3709 1.0384 1.0384 1.4687 1.4687 2.1596 2.1596 2.7123 2.7123 3.3748 3.3748 3.5246 3.5246 3.6754 3.6754 3.8112 3.8112 4.3629 4.3629 4.6300 4.6300 5.4329 5.4329 10.7744 10.7744 12.0413 12.0413 12.1547 12.1547 12.8923 12.8923 13.4737 13.4737 k = 0.0000 0.0000 0.0652 ( 4322 PWs) bands (ev): -13.6847 -13.6847 -13.1121 -13.1121 -10.8215 -10.8215 -9.1675 -9.1675 -9.0035 -9.0035 -8.9605 -8.9605 -3.5229 -3.5229 -3.2682 -3.2682 -2.8973 -2.8973 -0.7669 -0.7669 -0.0725 -0.0725 -0.0698 -0.0698 0.3488 0.3488 1.0108 1.0108 1.4834 1.4834 2.1703 2.1703 2.7090 2.7090 3.3716 3.3716 3.5223 3.5223 3.7036 3.7036 3.8143 3.8143 4.3674 4.3674 4.6210 4.6210 5.4344 5.4344 10.7465 10.7465 12.0404 12.0404 12.1271 12.1271 12.8999 12.8999 13.4941 13.4941 k = 0.0000 0.0000 0.0489 ( 4322 PWs) bands (ev): -13.6874 -13.6874 -13.1103 -13.1103 -10.8256 -10.8256 -9.1697 -9.1697 -9.0046 -9.0046 -8.9464 -8.9464 -3.5137 -3.5137 -3.2523 -3.2523 -2.9232 -2.9232 -0.7636 -0.7636 -0.0760 -0.0760 -0.0730 -0.0730 0.3322 0.3322 0.9888 0.9888 1.4952 1.4952 2.1785 2.1785 2.7062 2.7062 3.3690 3.3690 3.5206 3.5206 3.7259 3.7259 3.8169 3.8169 4.3710 4.3710 4.6140 4.6140 5.4357 5.4357 10.7245 10.7245 12.0396 12.0396 12.1055 12.1055 12.9063 12.9063 13.5097 13.5097 k = 0.0000 0.0000 0.0326 ( 4322 PWs) bands (ev): -13.6894 -13.6894 -13.1090 -13.1090 -10.8286 -10.8286 -9.1713 -9.1713 -9.0054 -9.0054 -8.9363 -8.9363 -3.5071 -3.5071 -3.2407 -3.2407 -2.9417 -2.9417 -0.7611 -0.7611 -0.0785 -0.0785 -0.0759 -0.0759 0.3206 0.3206 0.9728 0.9728 1.5037 1.5037 2.1843 2.1843 2.7041 2.7041 3.3671 3.3671 3.5194 3.5194 3.7420 3.7420 3.8188 3.8188 4.3735 4.3735 4.6089 4.6089 5.4367 5.4367 10.7087 10.7087 12.0389 12.0389 12.0900 12.0900 12.9113 12.9113 13.5206 13.5206 k = 0.0000 0.0000 0.0163 ( 4320 PWs) bands (ev): -13.6906 -13.6906 -13.1082 -13.1082 -10.8304 -10.8304 -9.1723 -9.1723 -9.0058 -9.0058 -8.9302 -8.9302 -3.5031 -3.5031 -3.2337 -3.2337 -2.9529 -2.9529 -0.7595 -0.7595 -0.0799 -0.0799 -0.0779 -0.0779 0.3138 0.3138 0.9630 0.9630 1.5089 1.5089 2.1877 2.1877 2.7028 2.7028 3.3660 3.3660 3.5187 3.5187 3.7516 3.7516 3.8200 3.8200 4.3751 4.3751 4.6059 4.6059 5.4373 5.4373 10.6991 10.6991 12.0385 12.0385 12.0806 12.0806 12.9145 12.9145 13.5270 13.5270 k = 0.0000 0.0000 0.0000 ( 4319 PWs) bands (ev): -13.6910 -13.6910 -13.1080 -13.1080 -10.8310 -10.8310 -9.1726 -9.1726 -9.0060 -9.0060 -8.9281 -8.9281 -3.5018 -3.5018 -3.2313 -3.2313 -2.9566 -2.9566 -0.7590 -0.7590 -0.0804 -0.0804 -0.0786 -0.0786 0.3116 0.3116 0.9598 0.9598 1.5106 1.5106 2.1889 2.1889 2.7023 2.7023 3.3656 3.3656 3.5184 3.5184 3.7549 3.7549 3.8204 3.8204 4.3756 4.3756 4.6049 4.6049 5.4375 5.4375 10.6959 10.6959 12.0384 12.0384 12.0775 12.0775 12.9155 12.9155 13.5291 13.5291 k = 0.0000 0.0000 0.0000 ( 4319 PWs) bands (ev): -13.6910 -13.6910 -13.1080 -13.1080 -10.8310 -10.8310 -9.1726 -9.1726 -9.0060 -9.0060 -8.9281 -8.9281 -3.5018 -3.5018 -3.2313 -3.2313 -2.9566 -2.9566 -0.7590 -0.7590 -0.0804 -0.0804 -0.0786 -0.0786 0.3116 0.3116 0.9598 0.9598 1.5106 1.5106 2.1889 2.1889 2.7023 2.7023 3.3656 3.3656 3.5184 3.5184 3.7549 3.7549 3.8204 3.8204 4.3756 4.3756 4.6049 4.6049 5.4375 5.4375 10.6959 10.6959 12.0384 12.0384 12.0775 12.0775 12.9155 12.9155 13.5291 13.5291 k =-0.0139 0.0086 0.0000 ( 4321 PWs) bands (ev): -13.6904 -13.6904 -13.1080 -13.1080 -10.8325 -10.8324 -9.1725 -9.1724 -9.0066 -9.0061 -8.9280 -8.9273 -3.4995 -3.4993 -3.2355 -3.2354 -2.9516 -2.9513 -0.7598 -0.7595 -0.0800 -0.0800 -0.0789 -0.0788 0.3101 0.3103 0.9587 0.9589 1.5119 1.5119 2.1901 2.1902 2.7018 2.7019 3.3644 3.3649 3.5155 3.5159 3.7543 3.7544 3.8197 3.8197 4.3753 4.3756 4.6064 4.6066 5.4367 5.4367 10.6992 10.6992 12.0039 12.0054 12.1109 12.1114 12.9155 12.9156 13.5278 13.5282 k =-0.0278 0.0172 0.0000 ( 4321 PWs) bands (ev): -13.6888 -13.6888 -13.1081 -13.1080 -10.8369 -10.8369 -9.1719 -9.1718 -9.0079 -9.0070 -8.9269 -8.9257 -3.4926 -3.4921 -3.2471 -3.2469 -2.9371 -2.9366 -0.7621 -0.7615 -0.0838 -0.0837 -0.0743 -0.0742 0.3060 0.3064 0.9558 0.9560 1.5158 1.5158 2.1937 2.1939 2.7004 2.7006 3.3612 3.3622 3.5071 3.5081 3.7528 3.7530 3.8176 3.8176 4.3749 4.3755 4.6112 4.6115 5.4344 5.4345 10.7091 10.7092 11.9562 11.9583 12.1583 12.1584 12.9155 12.9156 13.5244 13.5250 k =-0.0417 0.0258 0.0000 ( 4321 PWs) bands (ev): -13.6861 -13.6861 -13.1083 -13.1082 -10.8443 -10.8442 -9.1710 -9.1708 -9.0098 -9.0085 -8.9250 -8.9232 -3.4809 -3.4803 -3.2642 -3.2639 -2.9151 -2.9143 -0.7658 -0.7649 -0.0902 -0.0901 -0.0668 -0.0667 0.2993 0.2998 0.9509 0.9512 1.5222 1.5223 2.1997 2.2000 2.6981 2.6983 3.3558 3.3572 3.4938 3.4952 3.7502 3.7506 3.8141 3.8141 4.3745 4.3753 4.6189 4.6193 5.4306 5.4307 10.7255 10.7256 11.9081 11.9107 12.2057 12.2060 12.9154 12.9155 13.5189 13.5198 k =-0.0556 0.0344 0.0000 ( 4327 PWs) bands (ev): -13.6823 -13.6823 -13.1085 -13.1083 -10.8545 -10.8544 -9.1697 -9.1694 -9.0122 -9.0105 -8.9225 -8.9202 -3.4646 -3.4637 -3.2848 -3.2843 -2.8876 -2.8866 -0.7709 -0.7696 -0.0991 -0.0989 -0.0563 -0.0561 0.2899 0.2906 0.9441 0.9445 1.5313 1.5314 2.2081 2.2084 2.6949 2.6952 3.3476 3.3495 3.4761 3.4780 3.7467 3.7471 3.8092 3.8093 4.3744 4.3753 4.6292 4.6296 5.4254 5.4255 10.7483 10.7484 11.8610 11.8640 12.2519 12.2527 12.9154 12.9155 13.5115 13.5127 k =-0.0694 0.0430 0.0000 ( 4327 PWs) bands (ev): -13.6775 -13.6774 -13.1087 -13.1085 -10.8675 -10.8674 -9.1681 -9.1677 -9.0148 -9.0129 -8.9194 -8.9167 -3.4437 -3.4426 -3.3073 -3.3066 -2.8562 -2.8550 -0.7771 -0.7756 -0.1104 -0.1101 -0.0429 -0.0427 0.2782 0.2790 0.9353 0.9359 1.5428 1.5429 2.2187 2.2191 2.6909 2.6913 3.3356 3.3381 3.4552 3.4576 3.7423 3.7427 3.8030 3.8031 4.3747 4.3758 4.6417 4.6421 5.4188 5.4188 10.7772 10.7773 11.8154 11.8189 12.2966 12.2977 12.9153 12.9155 13.5024 13.5038 k =-0.0833 0.0516 0.0000 ( 4327 PWs) bands (ev): -13.6716 -13.6715 -13.1090 -13.1088 -10.8832 -10.8830 -9.1662 -9.1658 -9.0176 -9.0155 -8.9159 -8.9129 -3.4183 -3.4170 -3.3306 -3.3298 -2.8220 -2.8205 -0.7845 -0.7828 -0.1241 -0.1237 -0.0267 -0.0265 0.2640 0.2649 0.9247 0.9254 1.5568 1.5569 2.2314 2.2319 2.6861 2.6866 3.3186 3.3215 3.4328 3.4356 3.7370 3.7374 3.7954 3.7956 4.3757 4.3768 4.6559 4.6563 5.4108 5.4109 10.8121 10.8123 11.7718 11.7757 12.3392 12.3408 12.9152 12.9154 13.4919 13.4934 k =-0.0972 0.0602 0.0000 ( 4331 PWs) bands (ev): -13.6646 -13.6646 -13.1093 -13.1091 -10.9013 -10.9012 -9.1641 -9.1636 -9.0204 -9.0181 -8.9122 -8.9089 -3.3885 -3.3870 -3.3541 -3.3531 -2.7857 -2.7839 -0.7930 -0.7910 -0.1400 -0.1395 -0.0079 -0.0076 0.2476 0.2486 0.9123 0.9130 1.5731 1.5732 2.2462 2.2468 2.6806 2.6812 3.2948 3.2980 3.4110 3.4138 3.7308 3.7311 3.7866 3.7868 4.3776 4.3787 4.6714 4.6717 5.4015 5.4016 10.8526 10.8528 11.7305 11.7348 12.3796 12.3815 12.9153 12.9155 13.4801 13.4818 k =-0.1111 0.0688 0.0000 ( 4327 PWs) bands (ev): -13.6567 -13.6567 -13.1097 -13.1095 -10.9218 -10.9216 -9.1618 -9.1612 -9.0231 -9.0207 -8.9084 -8.9049 -3.3773 -3.3762 -3.3543 -3.3526 -2.7477 -2.7457 -0.8025 -0.8001 -0.1581 -0.1574 0.0135 0.0138 0.2291 0.2302 0.8979 0.8987 1.5917 1.5918 2.2628 2.2635 2.6744 2.6752 3.2634 3.2665 3.3911 3.3937 3.7237 3.7241 3.7766 3.7767 4.3803 4.3815 4.6879 4.6881 5.3911 5.3912 10.8986 10.8988 11.6921 11.6968 12.4172 12.4194 12.9155 12.9157 13.4674 13.4692 k =-0.1250 0.0773 0.0000 ( 4323 PWs) bands (ev): -13.6478 -13.6478 -13.1101 -13.1099 -10.9445 -10.9443 -9.1593 -9.1586 -9.0256 -9.0232 -8.9047 -8.9009 -3.3998 -3.3987 -3.3160 -3.3141 -2.7085 -2.7063 -0.8127 -0.8101 -0.1782 -0.1774 0.0374 0.0376 0.2087 0.2098 0.8818 0.8826 1.6126 1.6127 2.2812 2.2820 2.6677 2.6685 3.2244 3.2272 3.3733 3.3754 3.7160 3.7162 3.7653 3.7655 4.3840 4.3851 4.7049 4.7050 5.3796 5.3798 10.9495 10.9497 11.6568 11.6618 12.4517 12.4541 12.9161 12.9163 13.4539 13.4557 k =-0.1389 0.0859 0.0000 ( 4315 PWs) bands (ev): -13.6380 -13.6380 -13.1106 -13.1103 -10.9692 -10.9690 -9.1567 -9.1560 -9.0280 -9.0255 -8.9010 -8.8971 -3.4215 -3.4203 -3.2737 -3.2715 -2.6684 -2.6659 -0.8237 -0.8208 -0.2002 -0.1992 0.0635 0.0638 0.1864 0.1876 0.8638 0.8647 1.6355 1.6356 2.3011 2.3020 2.6605 2.6614 3.1790 3.1814 3.3566 3.3582 3.7075 3.7077 3.7529 3.7531 4.3887 4.3897 4.7222 4.7222 5.3672 5.3673 11.0050 11.0054 11.6248 11.6301 12.4829 12.4854 12.9172 12.9173 13.4398 13.4416 k =-0.1528 0.0945 0.0000 ( 4326 PWs) bands (ev): -13.6273 -13.6272 -13.1111 -13.1108 -10.9958 -10.9956 -9.1540 -9.1532 -9.0301 -9.0275 -8.8975 -8.8934 -3.4423 -3.4409 -3.2274 -3.2251 -2.6275 -2.6248 -0.8354 -0.8322 -0.2239 -0.2226 0.0919 0.0922 0.1626 0.1638 0.8439 0.8449 1.6605 1.6605 2.3224 2.3233 2.6528 2.6539 3.1283 3.1304 3.3402 3.3413 3.6984 3.6985 3.7395 3.7397 4.3941 4.3951 4.7393 4.7395 5.3539 5.3541 11.0649 11.0653 11.5965 11.6021 12.5102 12.5128 12.9191 12.9191 13.4252 13.4270 k =-0.1667 0.1031 0.0000 ( 4334 PWs) bands (ev): -13.6157 -13.6157 -13.1116 -13.1113 -11.0239 -11.0237 -9.1513 -9.1505 -9.0318 -9.0292 -8.8942 -8.8900 -3.4619 -3.4605 -3.1775 -3.1749 -2.5860 -2.5831 -0.8476 -0.8442 -0.2492 -0.2476 0.1220 0.1226 0.1377 0.1385 0.8222 0.8232 1.6873 1.6873 2.3448 2.3459 2.6448 2.6460 3.0734 3.0754 3.3234 3.3240 3.6887 3.6887 3.7250 3.7253 4.4004 4.4012 4.7562 4.7565 5.3400 5.3402 11.1286 11.1290 11.5721 11.5779 12.5335 12.5360 12.9219 12.9220 13.4103 13.4121 k =-0.1806 0.1117 0.0000 ( 4334 PWs) bands (ev): -13.6034 -13.6033 -13.1122 -13.1118 -11.0535 -11.0533 -9.1486 -9.1478 -9.0332 -9.0306 -8.8912 -8.8869 -3.4804 -3.4789 -3.1240 -3.1212 -2.5442 -2.5410 -0.8603 -0.8566 -0.2759 -0.2740 0.1104 0.1117 0.1550 0.1551 0.7986 0.7997 1.7159 1.7160 2.3682 2.3694 2.6366 2.6379 3.0155 3.0172 3.3056 3.3058 3.6784 3.6785 3.7097 3.7100 4.4072 4.4079 4.7726 4.7730 5.3255 5.3257 11.1958 11.1963 11.5517 11.5577 12.5523 12.5548 12.9260 12.9262 13.3951 13.3969 k =-0.1944 0.1203 0.0000 ( 4330 PWs) bands (ev): -13.5903 -13.5902 -13.1127 -13.1123 -11.0843 -11.0841 -9.1459 -9.1451 -9.0342 -9.0316 -8.8885 -8.8841 -3.4976 -3.4961 -3.0671 -3.0641 -2.5021 -2.4986 -0.8734 -0.8694 -0.3037 -0.3015 0.0828 0.0838 0.1891 0.1893 0.7731 0.7743 1.7462 1.7463 2.3924 2.3936 2.6282 2.6296 2.9552 2.9568 3.2864 3.2866 3.6676 3.6678 3.6935 3.6939 4.4146 4.4152 4.7884 4.7890 5.3107 5.3109 11.2662 11.2667 11.5356 11.5418 12.5666 12.5689 12.9315 12.9319 13.3798 13.3815 k =-0.2083 0.1289 0.0000 ( 4322 PWs) bands (ev): -13.5765 -13.5764 -13.1133 -13.1129 -11.1161 -11.1159 -9.1433 -9.1425 -9.0348 -9.0322 -8.8862 -8.8817 -3.5136 -3.5120 -3.0071 -3.0039 -2.4598 -2.4562 -0.8868 -0.8826 -0.3325 -0.3299 0.0541 0.0550 0.2249 0.2251 0.7458 0.7470 1.7779 1.7782 2.4170 2.4183 2.6196 2.6212 2.8934 2.8949 3.2657 3.2662 3.6560 3.6562 3.6770 3.6774 4.4223 4.4228 4.8034 4.8041 5.2955 5.2958 11.3391 11.3397 11.5237 11.5300 12.5762 12.5783 12.9386 12.9392 13.3644 13.3660 k =-0.2222 0.1375 0.0000 ( 4314 PWs) bands (ev): -13.5621 -13.5620 -13.1139 -13.1135 -11.1486 -11.1484 -9.1408 -9.1400 -9.0350 -9.0323 -8.8843 -8.8798 -3.5284 -3.5268 -2.9441 -2.9407 -2.4176 -2.4137 -0.9005 -0.8960 -0.3619 -0.3590 0.0246 0.0254 0.2621 0.2623 0.7166 0.7178 1.8111 1.8114 2.4416 2.4431 2.6111 2.6128 2.8308 2.8322 3.2435 3.2444 3.6431 3.6434 3.6607 3.6613 4.4302 4.4306 4.8176 4.8184 5.2803 5.2805 11.4144 11.4150 11.5161 11.5226 12.5812 12.5831 12.9472 12.9479 13.3489 13.3504 k =-0.2361 0.1461 0.0000 ( 4302 PWs) bands (ev): -13.5472 -13.5471 -13.1145 -13.1141 -11.1817 -11.1815 -9.1384 -9.1376 -9.0348 -9.0321 -8.8828 -8.8783 -3.5419 -3.5402 -2.8784 -2.8748 -2.3755 -2.3715 -0.9144 -0.9097 -0.3919 -0.3886 -0.0056 -0.0050 0.3005 0.3007 0.6856 0.6869 1.8455 1.8459 2.4658 2.4675 2.6025 2.6044 2.7684 2.7698 3.2199 3.2210 3.6278 3.6282 3.6459 3.6465 4.4382 4.4385 4.8309 4.8318 5.2651 5.2653 11.4915 11.4922 11.5129 11.5195 12.5819 12.5835 12.9570 12.9578 13.3333 13.3347 k =-0.2500 0.1547 0.0000 ( 4302 PWs) bands (ev): -13.5318 -13.5317 -13.1151 -13.1147 -11.2152 -11.2150 -9.1361 -9.1353 -9.0342 -9.0314 -8.8818 -8.8772 -3.5542 -3.5525 -2.8102 -2.8064 -2.3338 -2.3295 -0.9286 -0.9235 -0.4222 -0.4184 -0.0362 -0.0358 0.3398 0.3400 0.6530 0.6543 1.8810 1.8815 2.4886 2.4904 2.5941 2.5962 2.7074 2.7090 3.1948 3.1962 3.6098 3.6102 3.6329 3.6336 4.4462 4.4464 4.8432 4.8442 5.2501 5.2503 11.5140 11.5206 11.5702 11.5709 12.5785 12.5799 12.9678 12.9687 13.3176 13.3189 k =-0.2639 0.1633 0.0000 ( 4308 PWs) bands (ev): -13.5161 -13.5160 -13.1157 -13.1153 -11.2487 -11.2486 -9.1340 -9.1332 -9.0331 -9.0303 -8.8812 -8.8766 -3.5652 -3.5636 -2.7399 -2.7359 -2.2924 -2.2879 -0.9429 -0.9376 -0.4525 -0.4483 -0.0672 -0.0670 0.3791 0.3794 0.6192 0.6205 1.9173 1.9181 2.5071 2.5092 2.5859 2.5881 2.6511 2.6527 3.1685 3.1701 3.5898 3.5903 3.6212 3.6220 4.4539 4.4541 4.8545 4.8556 5.2353 5.2355 11.5194 11.5260 11.6498 11.6506 12.5715 12.5726 12.9792 12.9801 13.3020 13.3031 k =-0.2778 0.1719 0.0000 ( 4306 PWs) bands (ev): -13.5001 -13.5000 -13.1163 -13.1159 -11.2822 -11.2820 -9.1320 -9.1312 -9.0316 -9.0288 -8.8811 -8.8765 -3.5751 -3.5735 -2.6675 -2.6633 -2.2517 -2.2470 -0.9575 -0.9518 -0.4825 -0.4779 -0.0984 -0.0983 0.4173 0.4175 0.5855 0.5869 1.9544 1.9553 2.5117 2.5139 2.5779 2.5803 2.6095 2.6109 3.1411 3.1430 3.5684 3.5690 3.6103 3.6111 4.4614 4.4615 4.8648 4.8659 5.2210 5.2212 11.5289 11.5355 11.7301 11.7310 12.5613 12.5622 12.9908 12.9917 13.2863 13.2874 k =-0.2917 0.1805 0.0000 ( 4308 PWs) bands (ev): -13.4840 -13.4839 -13.1169 -13.1165 -11.3153 -11.3151 -9.1301 -9.1294 -9.0297 -9.0269 -8.8814 -8.8768 -3.5838 -3.5822 -2.5936 -2.5892 -2.2117 -2.2069 -0.9722 -0.9663 -0.5121 -0.5070 -0.1297 -0.1294 0.4491 0.4495 0.5568 0.5580 1.9920 1.9931 2.4850 2.4861 2.5702 2.5729 2.6010 2.6012 3.1131 3.1152 3.5460 3.5466 3.5998 3.6007 4.4686 4.4686 4.8741 4.8753 5.2071 5.2073 11.5424 11.5489 11.8107 11.8116 12.5482 12.5488 13.0023 13.0032 13.2707 13.2717 k =-0.3056 0.1891 0.0000 ( 4302 PWs) bands (ev): -13.4679 -13.4678 -13.1175 -13.1171 -11.3478 -11.3476 -9.1285 -9.1277 -9.0274 -9.0246 -8.8822 -8.8776 -3.5915 -3.5900 -2.5183 -2.5137 -2.1726 -2.1677 -0.9871 -0.9809 -0.5409 -0.5355 -0.1609 -0.1604 0.4569 0.4580 0.5507 0.5513 2.0299 2.0311 2.4378 2.4382 2.5631 2.5660 2.6128 2.6135 3.0847 3.0871 3.5229 3.5236 3.5897 3.5906 4.4752 4.4753 4.8825 4.8837 5.1939 5.1941 11.5596 11.5662 11.8910 11.8920 12.5324 12.5328 13.0136 13.0143 13.2553 13.2562 k =-0.3194 0.1977 0.0000 ( 4294 PWs) bands (ev): -13.4518 -13.4518 -13.1181 -13.1177 -11.3795 -11.3794 -9.1269 -9.1262 -9.0248 -9.0219 -8.8834 -8.8788 -3.5982 -3.5967 -2.4421 -2.4373 -2.1346 -2.1296 -1.0023 -0.9958 -0.5688 -0.5630 -0.1917 -0.1909 0.4317 0.4332 0.5760 0.5764 2.0677 2.0692 2.3862 2.3863 2.5563 2.5594 2.6296 2.6308 3.0567 3.0593 3.4991 3.4998 3.5800 3.5809 4.4813 4.4815 4.8900 4.8912 5.1813 5.1815 11.5805 11.5869 11.9708 11.9717 12.5142 12.5143 13.0243 13.0249 13.2402 13.2409 k =-0.3333 0.2063 0.0000 ( 4296 PWs) bands (ev): -13.4361 -13.4360 -13.1186 -13.1183 -11.4102 -11.4100 -9.1255 -9.1249 -9.0219 -9.0190 -8.8850 -8.8805 -3.6040 -3.6025 -2.3653 -2.3603 -2.0979 -2.0929 -1.0179 -1.0111 -0.5954 -0.5894 -0.2219 -0.2209 0.3932 0.3948 0.6132 0.6134 2.1053 2.1071 2.3351 2.3352 2.5501 2.5535 2.6464 2.6479 3.0296 3.0324 3.4749 3.4757 3.5706 3.5714 4.4870 4.4871 4.8967 4.8979 5.1695 5.1697 11.6047 11.6110 12.0494 12.0504 12.4937 12.4937 13.0343 13.0348 13.2255 13.2261 k =-0.3472 0.2149 0.0000 ( 4304 PWs) bands (ev): -13.4207 -13.4207 -13.1191 -13.1188 -11.4396 -11.4394 -9.1243 -9.1237 -9.0186 -9.0157 -8.8869 -8.8825 -3.6089 -3.6075 -2.2884 -2.2831 -2.0627 -2.0577 -1.0338 -1.0268 -0.6206 -0.6144 -0.2513 -0.2501 0.3505 0.3522 0.6531 0.6533 2.1423 2.1443 2.2863 2.2864 2.5445 2.5481 2.6612 2.6630 3.0044 3.0073 3.4504 3.4512 3.5615 3.5623 4.4920 4.4922 4.9026 4.9038 5.1584 5.1586 11.6319 11.6380 12.1263 12.1274 12.4709 12.4711 13.0435 13.0439 13.2112 13.2117 k =-0.3611 0.2234 0.0000 ( 4308 PWs) bands (ev): -13.4059 -13.4059 -13.1196 -13.1193 -11.4674 -11.4673 -9.1232 -9.1226 -9.0151 -9.0122 -8.8892 -8.8849 -3.6130 -3.6117 -2.2118 -2.2064 -2.0293 -2.0244 -1.0503 -1.0431 -0.6442 -0.6378 -0.2797 -0.2783 0.3061 0.3078 0.6932 0.6934 2.1783 2.1806 2.2404 2.2406 2.5396 2.5434 2.6729 2.6749 2.9820 2.9851 3.4258 3.4267 3.5528 3.5536 4.4965 4.4967 4.9078 4.9089 5.1483 5.1484 11.6619 11.6678 12.2011 12.2023 12.4460 12.4465 13.0520 13.0522 13.1978 13.1982 k =-0.3750 0.2320 0.0000 ( 4302 PWs) bands (ev): -13.3919 -13.3918 -13.1200 -13.1198 -11.4935 -11.4935 -9.1222 -9.1217 -9.0114 -9.0086 -8.8918 -8.8877 -3.6164 -3.6152 -2.1361 -2.1305 -1.9979 -1.9931 -1.0675 -1.0600 -0.6659 -0.6595 -0.3067 -0.3051 0.2612 0.2630 0.7326 0.7327 2.1979 2.1981 2.2130 2.2156 2.5355 2.5396 2.6806 2.6827 2.9634 2.9665 3.4015 3.4024 3.5446 3.5453 4.5005 4.5007 4.9123 4.9134 5.1390 5.1392 11.6942 11.6999 12.2731 12.2743 12.4194 12.4201 13.0596 13.0597 13.1853 13.1856 k =-0.3889 0.2406 0.0000 ( 4312 PWs) bands (ev): -13.3787 -13.3786 -13.1204 -13.1202 -11.5177 -11.5176 -9.1213 -9.1209 -9.0076 -9.0048 -8.8946 -8.8906 -3.6192 -3.6181 -2.0620 -2.0563 -1.9687 -1.9641 -1.0853 -1.0777 -0.6856 -0.6793 -0.3321 -0.3304 0.2170 0.2188 0.7703 0.7704 2.1592 2.1593 2.2457 2.2486 2.5323 2.5366 2.6837 2.6857 2.9495 2.9525 3.3777 3.3787 3.5368 3.5376 4.5038 4.5041 4.9162 4.9172 5.1306 5.1308 11.7285 11.7340 12.3416 12.3428 12.3909 12.3919 13.0663 13.0663 13.1739 13.1742 k =-0.4028 0.2492 0.0000 ( 4306 PWs) bands (ev): -13.3665 -13.3665 -13.1208 -13.1206 -11.5396 -11.5395 -9.1206 -9.1202 -9.0037 -9.0010 -8.8975 -8.8937 -3.6214 -3.6204 -1.9903 -1.9845 -1.9420 -1.9377 -1.1039 -1.0962 -0.7031 -0.6970 -0.3556 -0.3539 0.1744 0.1761 0.8058 0.8059 2.1243 2.1244 2.2760 2.2791 2.5301 2.5346 2.6821 2.6840 2.9405 2.9433 3.3549 3.3558 3.5296 3.5303 4.5067 4.5069 4.9196 4.9205 5.1233 5.1234 11.7644 11.7696 12.3610 12.3620 12.4060 12.4071 13.0721 13.0722 13.1639 13.1641 k =-0.4167 0.2578 0.0000 ( 4306 PWs) bands (ev): -13.3556 -13.3556 -13.1211 -13.1209 -11.5591 -11.5591 -9.1199 -9.1196 -8.9998 -8.9973 -8.9004 -8.8970 -3.6231 -3.6223 -1.9219 -1.9182 -1.9160 -1.9142 -1.1232 -1.1157 -0.7184 -0.7127 -0.3768 -0.3751 0.1343 0.1360 0.8384 0.8385 2.0936 2.0937 2.3034 2.3067 2.5290 2.5336 2.6767 2.6783 2.9360 2.9385 3.3334 3.3342 3.5232 3.5238 4.5091 4.5093 4.9224 4.9232 5.1168 5.1169 11.8013 11.8063 12.3297 12.3311 12.4650 12.4661 13.0770 13.0772 13.1555 13.1557 k =-0.4306 0.2664 0.0000 ( 4294 PWs) bands (ev): -13.3460 -13.3460 -13.1214 -13.1212 -11.5760 -11.5760 -9.1194 -9.1191 -8.9961 -8.9937 -8.9033 -8.9001 -3.6245 -3.6238 -1.8973 -1.8938 -1.8580 -1.8523 -1.1430 -1.1357 -0.7312 -0.7260 -0.3955 -0.3939 0.0979 0.0994 0.8675 0.8676 2.0672 2.0673 2.3272 2.3305 2.5291 2.5336 2.6688 2.6701 2.9349 2.9370 3.3137 3.3146 3.5174 3.5180 4.5111 4.5112 4.9248 4.9255 5.1114 5.1115 11.8387 11.8432 12.2977 12.2992 12.5179 12.5189 13.0812 13.0815 13.1488 13.1490 k =-0.4444 0.2750 0.0000 ( 4302 PWs) bands (ev): -13.3380 -13.3380 -13.1216 -13.1215 -11.5901 -11.5901 -9.1190 -9.1187 -8.9926 -8.9906 -8.9059 -8.9032 -3.6255 -3.6249 -1.8797 -1.8768 -1.8002 -1.7949 -1.1626 -1.1559 -0.7416 -0.7372 -0.4113 -0.4099 0.0662 0.0675 0.8924 0.8925 2.0452 2.0453 2.3471 2.3502 2.5303 2.5344 2.6599 2.6609 2.9359 2.9376 3.2966 3.2973 3.5126 3.5130 4.5126 4.5127 4.9267 4.9273 5.1069 5.1070 11.8755 11.8797 12.2655 12.2672 12.5634 12.5642 13.0846 13.0849 13.1439 13.1440 k =-0.4583 0.2836 0.0000 ( 4316 PWs) bands (ev): -13.3316 -13.3316 -13.1218 -13.1217 -11.6013 -11.6012 -9.1186 -9.1185 -8.9896 -8.9879 -8.9081 -8.9059 -3.6262 -3.6258 -1.8657 -1.8634 -1.7504 -1.7458 -1.1810 -1.1753 -0.7495 -0.7460 -0.4239 -0.4228 0.0403 0.0414 0.9126 0.9127 2.0279 2.0280 2.3626 2.3653 2.5323 2.5358 2.6514 2.6522 2.9380 2.9392 3.2824 3.2830 3.5087 3.5090 4.5137 4.5139 4.9282 4.9286 5.1034 5.1035 11.9106 11.9142 12.2343 12.2361 12.6003 12.6011 13.0872 13.0875 13.1405 13.1406 k =-0.4722 0.2922 0.0000 ( 4314 PWs) bands (ev): -13.3269 -13.3269 -13.1219 -13.1218 -11.6093 -11.6093 -9.1184 -9.1183 -8.9871 -8.9859 -8.9097 -8.9082 -3.6266 -3.6263 -1.8554 -1.8538 -1.7112 -1.7076 -1.1964 -1.1921 -0.7549 -0.7525 -0.4331 -0.4322 0.0211 0.0219 0.9274 0.9275 2.0154 2.0155 2.3738 2.3757 2.5346 2.5371 2.6446 2.6451 2.9401 2.9409 3.2718 3.2722 3.5058 3.5061 4.5145 4.5146 4.9292 4.9295 5.1009 5.1010 11.9417 11.9445 12.2065 12.2081 12.6277 12.6283 13.0892 13.0894 13.1386 13.1387 k =-0.4861 0.3008 0.0000 ( 4318 PWs) bands (ev): -13.3241 -13.3241 -13.1220 -13.1219 -11.6142 -11.6142 -9.1182 -9.1182 -8.9855 -8.9848 -8.9105 -8.9098 -3.6269 -3.6267 -1.8489 -1.8481 -1.6854 -1.6835 -1.2065 -1.2042 -0.7579 -0.7567 -0.4385 -0.4381 0.0094 0.0098 0.9365 0.9366 2.0079 2.0079 2.3806 2.3817 2.5366 2.5380 2.6403 2.6405 2.9417 2.9421 3.2653 3.2655 3.5041 3.5042 4.5150 4.5151 4.9299 4.9301 5.0994 5.0994 11.9647 11.9664 12.1859 12.1870 12.6446 12.6449 13.0904 13.0905 13.1377 13.1377 k =-0.5000 0.3094 0.0000 ( 4318 PWs) bands (ev): -13.3232 -13.3232 -13.1220 -13.1220 -11.6158 -11.6158 -9.1182 -9.1182 -8.9847 -8.9847 -8.9106 -8.9106 -3.6269 -3.6269 -1.8465 -1.8465 -1.6757 -1.6757 -1.2094 -1.2094 -0.7585 -0.7585 -0.4402 -0.4402 0.0056 0.0056 0.9396 0.9396 2.0054 2.0054 2.3833 2.3833 2.5379 2.5379 2.6388 2.6388 2.9424 2.9424 3.2632 3.2632 3.5036 3.5036 4.5152 4.5152 4.9302 4.9302 5.0989 5.0989 11.9742 11.9742 12.1784 12.1784 12.6504 12.6504 13.0908 13.0908 13.1374 13.1374 k =-0.5000 0.3094 0.0000 ( 4318 PWs) bands (ev): -13.3232 -13.3232 -13.1220 -13.1220 -11.6158 -11.6158 -9.1182 -9.1182 -8.9847 -8.9847 -8.9106 -8.9106 -3.6269 -3.6269 -1.8465 -1.8465 -1.6757 -1.6757 -1.2094 -1.2094 -0.7585 -0.7585 -0.4402 -0.4402 0.0056 0.0056 0.9396 0.9396 2.0054 2.0054 2.3833 2.3833 2.5379 2.5379 2.6388 2.6388 2.9424 2.9424 3.2632 3.2632 3.5036 3.5036 4.5152 4.5152 4.9302 4.9302 5.0989 5.0989 11.9742 11.9742 12.1784 12.1784 12.6504 12.6504 13.0908 13.0908 13.1374 13.1374 k =-0.4914 0.3232-0.0000 ( 4310 PWs) bands (ev): -13.3233 -13.3233 -13.1220 -13.1220 -11.6149 -11.6148 -9.1274 -9.1254 -8.9843 -8.9839 -8.9050 -8.9026 -3.6265 -3.6264 -1.8521 -1.8515 -1.6664 -1.6661 -1.2101 -1.2101 -0.7599 -0.7596 -0.4523 -0.4489 0.0133 0.0170 0.9394 0.9398 2.0051 2.0054 2.3829 2.3849 2.5355 2.5366 2.6385 2.6405 2.9405 2.9418 3.2639 3.2642 3.5033 3.5035 4.5160 4.5165 4.9265 4.9274 5.0980 5.0989 11.9753 11.9754 12.1794 12.1794 12.6544 12.6546 13.0498 13.0663 13.1653 13.1814 k =-0.4829 0.3371-0.0000 ( 4314 PWs) bands (ev): -13.3238 -13.3238 -13.1222 -13.1222 -11.6120 -11.6120 -9.1502 -9.1470 -8.9828 -8.9821 -8.8882 -8.8841 -3.6253 -3.6251 -1.8652 -1.8641 -1.6410 -1.6404 -1.2124 -1.2124 -0.7640 -0.7635 -0.4823 -0.4763 0.0384 0.0449 0.9392 0.9399 2.0047 2.0053 2.3839 2.3878 2.5296 2.5318 2.6395 2.6434 2.9364 2.9390 3.2665 3.2671 3.5027 3.5030 4.5190 4.5199 4.9165 4.9181 5.0961 5.0978 11.9788 11.9790 12.1824 12.1825 12.6662 12.6666 13.0032 13.0207 13.2207 13.2377 k =-0.4743 0.3509-0.0000 ( 4316 PWs) bands (ev): -13.3246 -13.3246 -13.1225 -13.1225 -11.6072 -11.6072 -9.1818 -9.1779 -8.9802 -8.9792 -8.8650 -8.8598 -3.6232 -3.6230 -1.8809 -1.8794 -1.6046 -1.6037 -1.2162 -1.2162 -0.7706 -0.7698 -0.5252 -0.5174 0.0757 0.0842 0.9388 0.9399 2.0043 2.0052 2.3861 2.3918 2.5200 2.5233 2.6420 2.6476 2.9299 2.9338 3.2709 3.2717 3.5018 3.5022 4.5240 4.5254 4.9007 4.9029 5.0930 5.0954 11.9847 11.9849 12.1874 12.1875 12.6856 12.6859 12.9595 12.9775 13.2808 13.2977 k =-0.4657 0.3648-0.0000 ( 4308 PWs) bands (ev): -13.3257 -13.3257 -13.1229 -13.1229 -11.6006 -11.6005 -9.2188 -9.2146 -8.9765 -8.9753 -8.8389 -8.8330 -3.6203 -3.6200 -1.8958 -1.8939 -1.5606 -1.5593 -1.2215 -1.2214 -0.7797 -0.7787 -0.5765 -0.5677 0.1208 0.1305 0.9383 0.9397 2.0039 2.0050 2.3893 2.3967 2.5069 2.5112 2.6460 2.6532 2.9213 2.9264 3.2771 3.2782 3.5005 3.5011 4.5311 4.5329 4.8796 4.8823 5.0883 5.0912 11.9930 11.9932 12.1944 12.1944 12.7113 12.7114 12.9205 12.9391 13.3438 13.3605 k =-0.4571 0.3786-0.0000 ( 4302 PWs) bands (ev): -13.3272 -13.3271 -13.1234 -13.1233 -11.5920 -11.5919 -9.2592 -9.2549 -8.9718 -8.9702 -8.8122 -8.8057 -3.6167 -3.6163 -1.9083 -1.9060 -1.5109 -1.5093 -1.2283 -1.2282 -0.7913 -0.7900 -0.6332 -0.6238 0.1702 0.1807 0.9374 0.9392 2.0037 2.0050 2.3935 2.4022 2.4900 2.4953 2.6516 2.6603 2.9106 2.9168 3.2850 3.2864 3.4989 3.4996 4.5402 4.5425 4.8538 4.8569 5.0819 5.0851 12.0036 12.0036 12.2033 12.2033 12.7397 12.7408 12.8890 12.9085 13.4093 13.4258 k =-0.4486 0.3925-0.0000 ( 4308 PWs) bands (ev): -13.3290 -13.3289 -13.1239 -13.1239 -11.5815 -11.5815 -9.3018 -9.2976 -8.9660 -8.9642 -8.7859 -8.7790 -3.6123 -3.6118 -1.9174 -1.9147 -1.4565 -1.4545 -1.2365 -1.2364 -0.8052 -0.8036 -0.6932 -0.6836 0.2218 0.2330 0.9362 0.9382 2.0039 2.0053 2.3982 2.4080 2.4695 2.4757 2.6590 2.6689 2.8979 2.9052 3.2947 3.2965 3.4970 3.4979 4.5512 4.5540 4.8239 4.8272 5.0734 5.0769 12.0162 12.0166 12.2141 12.2141 12.7635 12.7649 12.8737 12.8933 13.4771 13.4933 k =-0.4400 0.4063-0.0000 ( 4312 PWs) bands (ev): -13.3311 -13.3310 -13.1245 -13.1245 -11.5692 -11.5691 -9.3461 -9.3420 -8.9592 -8.9570 -8.7607 -8.7535 -3.6072 -3.6066 -1.9227 -1.9197 -1.3981 -1.3956 -1.2462 -1.2461 -0.8212 -0.8193 -0.7553 -0.7456 0.2745 0.2861 0.9343 0.9367 2.0046 2.0061 2.4033 2.4140 2.4453 2.4523 2.6683 2.6791 2.8834 2.8918 3.3061 3.3083 3.4948 3.4960 4.5642 4.5673 4.7905 4.7939 5.0628 5.0665 12.0308 12.0316 12.2266 12.2267 12.7678 12.7692 12.8904 12.9067 13.5467 13.5625 k =-0.4314 0.4202-0.0000 ( 4312 PWs) bands (ev): -13.3336 -13.3335 -13.1252 -13.1252 -11.5549 -11.5548 -9.3916 -9.3876 -8.9513 -8.9489 -8.7370 -8.7296 -3.6014 -3.6008 -1.9239 -1.9206 -1.3362 -1.3332 -1.2572 -1.2572 -0.8397 -0.8370 -0.8181 -0.8088 0.3273 0.3392 0.9317 0.9343 2.0060 2.0076 2.4082 2.4178 2.4196 2.4254 2.6797 2.6910 2.8672 2.8766 3.3192 3.3218 3.4925 3.4939 4.5789 4.5825 4.7540 4.7575 5.0501 5.0539 12.0470 12.0484 12.2410 12.2410 12.7535 12.7579 12.9347 12.9474 13.5822 13.5843 k =-0.4229 0.4341-0.0000 ( 4322 PWs) bands (ev): -13.3365 -13.3364 -13.1259 -13.1259 -11.5388 -11.5387 -9.4380 -9.4341 -8.9425 -8.9398 -8.7150 -8.7074 -3.5951 -3.5944 -1.9211 -1.9175 -1.2744 -1.2712 -1.2664 -1.2661 -0.8831 -0.8726 -0.8582 -0.8565 0.3798 0.3918 0.9281 0.9310 2.0082 2.0099 2.3850 2.3939 2.4146 2.4255 2.6930 2.7045 2.8495 2.8598 3.3339 3.3371 3.4899 3.4916 4.5954 4.5993 4.7148 4.7183 5.0355 5.0393 12.0646 12.0668 12.2569 12.2570 12.7360 12.7414 12.9927 13.0034 13.5452 13.5476 k =-0.4143 0.4479-0.0000 ( 4316 PWs) bands (ev): -13.3398 -13.3397 -13.1266 -13.1266 -11.5208 -11.5207 -9.4849 -9.4812 -8.9327 -8.9297 -8.6950 -8.6872 -3.5883 -3.5875 -1.9142 -1.9103 -1.2840 -1.2836 -1.2035 -1.1997 -0.9457 -0.9358 -0.8800 -0.8776 0.4314 0.4436 0.9235 0.9266 2.0116 2.0132 2.3496 2.3589 2.4198 2.4305 2.7082 2.7196 2.8306 2.8416 3.3502 3.3542 3.4872 3.4894 4.6134 4.6177 4.6735 4.6770 5.0191 5.0229 12.0829 12.0861 12.2744 12.2745 12.7207 12.7260 13.0587 13.0684 13.5017 13.5042 k =-0.4057 0.4618-0.0000 ( 4312 PWs) bands (ev): -13.3435 -13.3434 -13.1274 -13.1273 -11.5010 -11.5009 -9.5323 -9.5288 -8.9220 -8.9188 -8.6770 -8.6690 -3.5811 -3.5802 -1.9033 -1.8991 -1.2990 -1.2986 -1.1375 -1.1324 -1.0046 -0.9956 -0.9030 -0.9003 0.4820 0.4943 0.9174 0.9208 2.0161 2.0177 2.3104 2.3202 2.4249 2.4352 2.7252 2.7362 2.8104 2.8222 3.3680 3.3729 3.4845 3.4873 4.6304 4.6312 4.6356 4.6377 5.0010 5.0047 12.1014 12.1058 12.2933 12.2934 12.7097 12.7144 13.1306 13.1397 13.4540 13.4565 k =-0.3971 0.4756-0.0000 ( 4304 PWs) bands (ev): -13.3476 -13.3475 -13.1281 -13.1280 -11.4793 -11.4792 -9.5799 -9.5765 -8.9105 -8.9069 -8.6611 -8.6529 -3.5735 -3.5726 -1.8886 -1.8842 -1.3154 -1.3149 -1.1051 -1.0952 -1.0265 -1.0220 -0.9272 -0.9242 0.5314 0.5437 0.9099 0.9135 2.0220 2.0235 2.2675 2.2776 2.4299 2.4395 2.7437 2.7541 2.7893 2.8016 3.3871 3.3932 3.4819 3.4855 4.5858 4.5891 4.6541 4.6590 4.9814 4.9851 12.1195 12.1251 12.3135 12.3136 12.7044 12.7079 13.2073 13.2161 13.4036 13.4062 k =-0.3886 0.4895-0.0000 ( 4306 PWs) bands (ev): -13.3521 -13.3520 -13.1287 -13.1287 -11.4558 -11.4556 -9.6276 -9.6243 -8.8981 -8.8942 -8.6473 -8.6390 -3.5658 -3.5648 -1.8706 -1.8660 -1.3329 -1.3324 -1.1505 -1.1397 -0.9679 -0.9633 -0.9520 -0.9492 0.5794 0.5918 0.9007 0.9044 2.0293 2.0308 2.2210 2.2315 2.4347 2.4434 2.7625 2.7685 2.7731 2.7802 3.4071 3.4151 3.4794 3.4846 4.5403 4.5434 4.6763 4.6815 4.9606 4.9642 12.1362 12.1432 12.3348 12.3349 12.7055 12.7077 13.2880 13.2966 13.3514 13.3539 k =-0.3800 0.5033-0.0000 ( 4308 PWs) bands (ev): -13.3571 -13.3570 -13.1293 -13.1293 -11.4305 -11.4303 -9.6752 -9.6721 -8.8849 -8.8807 -8.6356 -8.6272 -3.5579 -3.5568 -1.8497 -1.8450 -1.3516 -1.3511 -1.2085 -1.1979 -0.9791 -0.9751 -0.8913 -0.8871 0.6261 0.6385 0.8897 0.8936 2.0382 2.0397 2.1712 2.1819 2.4394 2.4470 2.7442 2.7576 2.7850 2.7934 3.4268 3.4383 3.4774 3.4856 4.4940 4.4970 4.6997 4.7052 4.9388 4.9423 12.1510 12.1594 12.3570 12.3571 12.7138 12.7145 13.2976 13.3000 13.3722 13.3806 k =-0.3714 0.5172-0.0000 ( 4312 PWs) bands (ev): -13.3625 -13.3624 -13.1299 -13.1299 -11.4033 -11.4031 -9.7226 -9.7196 -8.8709 -8.8665 -8.6260 -8.6175 -3.5501 -3.5490 -1.8268 -1.8220 -1.3714 -1.3707 -1.2662 -1.2556 -1.0059 -1.0017 -0.8116 -0.8069 0.6714 0.6838 0.8767 0.8807 2.0488 2.0502 2.1181 2.1289 2.4440 2.4505 2.7208 2.7345 2.8068 2.8141 3.4437 3.4606 3.4782 3.4914 4.4473 4.4502 4.7241 4.7299 4.9161 4.9195 12.1633 12.1730 12.3799 12.3799 12.7290 12.7297 13.2429 13.2453 13.4590 13.4673 k =-0.3629 0.5310-0.0000 ( 4310 PWs) bands (ev): -13.3683 -13.3682 -13.1303 -13.1303 -11.3744 -11.3742 -9.7696 -9.7669 -8.8563 -8.8516 -8.6184 -8.6099 -3.5424 -3.5412 -1.8033 -1.7985 -1.3922 -1.3914 -1.3206 -1.3100 -1.0333 -1.0288 -0.7295 -0.7244 0.7152 0.7276 0.8616 0.8657 2.0608 2.0615 2.0630 2.0733 2.4487 2.4540 2.6968 2.7107 2.8290 2.8352 3.4538 3.4685 3.4952 3.5058 4.4005 4.4032 4.7494 4.7554 4.8929 4.8961 12.1730 12.1838 12.4031 12.4032 12.7513 12.7533 13.1873 13.1897 13.5480 13.5563 k =-0.3543 0.5449-0.0000 ( 4314 PWs) bands (ev): -13.3746 -13.3745 -13.1307 -13.1307 -11.3437 -11.3435 -9.8163 -9.8137 -8.8410 -8.8361 -8.6129 -8.6043 -3.5350 -3.5338 -1.7814 -1.7767 -1.4140 -1.4131 -1.3692 -1.3587 -1.0610 -1.0561 -0.6457 -0.6401 0.7577 0.7701 0.8444 0.8485 2.0030 2.0137 2.0757 2.0768 2.4534 2.4577 2.6723 2.6864 2.8515 2.8565 3.4577 3.4681 3.5224 3.5282 4.3539 4.3564 4.7754 4.7817 4.8692 4.8724 12.1799 12.1916 12.4265 12.4265 12.7812 12.7844 13.1312 13.1333 13.6387 13.6469 k =-0.3457 0.5587-0.0000 ( 4318 PWs) bands (ev): -13.3814 -13.3813 -13.1310 -13.1310 -11.3113 -11.3110 -9.8625 -9.8600 -8.8252 -8.8200 -8.6092 -8.6006 -3.5281 -3.5268 -1.7651 -1.7604 -1.4369 -1.4357 -1.4081 -1.3977 -1.0886 -1.0834 -0.5604 -0.5544 0.7987 0.8110 0.8252 0.8293 1.9416 1.9523 2.0919 2.0929 2.4584 2.4615 2.6473 2.6615 2.8740 2.8777 3.4590 3.4672 3.5521 3.5553 4.3075 4.3099 4.8021 4.8085 4.8453 4.8484 12.1844 12.1968 12.4494 12.4495 12.8184 12.8226 13.0746 13.0766 13.7305 13.7388 k =-0.3457 0.5587-0.0000 ( 4318 PWs) bands (ev): -13.3814 -13.3813 -13.1310 -13.1310 -11.3113 -11.3110 -9.8625 -9.8600 -8.8252 -8.8200 -8.6092 -8.6006 -3.5281 -3.5268 -1.7651 -1.7604 -1.4369 -1.4357 -1.4081 -1.3977 -1.0886 -1.0834 -0.5604 -0.5544 0.7987 0.8110 0.8252 0.8293 1.9416 1.9523 2.0919 2.0929 2.4584 2.4615 2.6473 2.6615 2.8740 2.8777 3.4590 3.4672 3.5521 3.5553 4.3075 4.3099 4.8021 4.8085 4.8453 4.8484 12.1844 12.1968 12.4494 12.4495 12.8184 12.8226 13.0746 13.0766 13.7305 13.7388 k =-0.3457 0.5587 0.0163 ( 4312 PWs) bands (ev): -13.3812 -13.3811 -13.1311 -13.1311 -11.3104 -11.3101 -9.8619 -9.8595 -8.8276 -8.8224 -8.6101 -8.6015 -3.5255 -3.5243 -1.7753 -1.7705 -1.4372 -1.4361 -1.3954 -1.3849 -1.0872 -1.0820 -0.5641 -0.5583 0.8006 0.8128 0.8259 0.8299 1.9395 1.9501 2.0911 2.0922 2.4585 2.4615 2.6466 2.6607 2.8759 2.8797 3.4578 3.4659 3.5540 3.5570 4.3073 4.3097 4.8018 4.8082 4.8447 4.8477 12.1814 12.1937 12.4479 12.4480 12.8201 12.8241 13.0702 13.0721 13.7360 13.7442 k =-0.3457 0.5587 0.0326 ( 4317 PWs) bands (ev): -13.3806 -13.3805 -13.1314 -13.1314 -11.3075 -11.3072 -9.8603 -9.8579 -8.8347 -8.8295 -8.6129 -8.6043 -3.5179 -3.5167 -1.8023 -1.7973 -1.4383 -1.4374 -1.3607 -1.3503 -1.0831 -1.0779 -0.5753 -0.5696 0.8062 0.8181 0.8278 0.8317 1.9334 1.9438 2.0889 2.0899 2.4589 2.4618 2.6444 2.6583 2.8817 2.8854 3.4544 3.4621 3.5594 3.5621 4.3067 4.3091 4.8007 4.8071 4.8428 4.8458 12.1725 12.1846 12.4435 12.4436 12.8248 12.8284 13.0568 13.0587 13.7522 13.7601 k =-0.3457 0.5587 0.0489 ( 4319 PWs) bands (ev): -13.3797 -13.3796 -13.1319 -13.1319 -11.3026 -11.3024 -9.8576 -9.8552 -8.8464 -8.8412 -8.6174 -8.6089 -3.5054 -3.5042 -1.8392 -1.8340 -1.4404 -1.4396 -1.3107 -1.3004 -1.0761 -1.0710 -0.5937 -0.5882 0.8151 0.8261 0.8313 0.8347 1.9234 1.9334 2.0852 2.0862 2.4597 2.4624 2.6407 2.6541 2.8912 2.8947 3.4494 3.4567 3.5675 3.5698 4.3058 4.3081 4.7990 4.8053 4.8397 4.8427 12.1585 12.1704 12.4361 12.4362 12.8323 12.8354 13.0347 13.0366 13.7575 13.7581 k =-0.3457 0.5587 0.0652 ( 4318 PWs) bands (ev): -13.3785 -13.3784 -13.1326 -13.1326 -11.2959 -11.2956 -9.8539 -9.8514 -8.8626 -8.8575 -8.6238 -8.6153 -3.4879 -3.4868 -1.8806 -1.8753 -1.4434 -1.4427 -1.2510 -1.2408 -1.0663 -1.0612 -0.6186 -0.6135 0.8268 0.8335 0.8391 0.8394 1.9095 1.9190 2.0801 2.0811 2.4611 2.4635 2.6354 2.6482 2.9040 2.9074 3.4433 3.4502 3.5777 3.5797 4.3045 4.3067 4.7965 4.8028 4.8353 4.8383 12.1405 12.1522 12.4261 12.4262 12.8423 12.8446 13.0043 13.0062 13.7468 13.7475 k =-0.3457 0.5587 0.0815 ( 4314 PWs) bands (ev): -13.3769 -13.3768 -13.1335 -13.1335 -11.2872 -11.2869 -9.8490 -9.8466 -8.8832 -8.8782 -8.6319 -8.6235 -3.4658 -3.4648 -1.9234 -1.9181 -1.4476 -1.4468 -1.1848 -1.1747 -1.0534 -1.0484 -0.6496 -0.6448 0.8393 0.8400 0.8455 0.8526 1.8918 1.9007 2.0737 2.0747 2.4633 2.4653 2.6283 2.6403 2.9200 2.9231 3.4366 3.4432 3.5894 3.5912 4.3028 4.3050 4.7932 4.7995 4.8297 4.8326 12.1198 12.1312 12.4134 12.4135 12.8542 12.8557 12.9666 12.9684 13.7362 13.7370 k =-0.3457 0.5587 0.0978 ( 4316 PWs) bands (ev): -13.3749 -13.3748 -13.1346 -13.1346 -11.2766 -11.2763 -9.8431 -9.8408 -8.9080 -8.9031 -8.6418 -8.6335 -3.4393 -3.4384 -1.9658 -1.9605 -1.4529 -1.4521 -1.1141 -1.1040 -1.0375 -1.0325 -0.6859 -0.6815 0.8459 0.8497 0.8581 0.8676 1.8707 1.8789 2.0662 2.0671 2.4665 2.4680 2.6193 2.6305 2.9386 2.9415 3.4297 3.4359 3.6023 3.6040 4.3008 4.3030 4.7892 4.7953 4.8228 4.8257 12.0976 12.1089 12.3981 12.3982 12.8678 12.8684 12.9228 12.9245 13.7265 13.7272 k =-0.3457 0.5587 0.1141 ( 4322 PWs) bands (ev): -13.3726 -13.3725 -13.1359 -13.1359 -11.2641 -11.2638 -9.8361 -9.8338 -8.9369 -8.9321 -8.6533 -8.6452 -3.4085 -3.4078 -2.0067 -2.0016 -1.4594 -1.4586 -1.0402 -1.0298 -1.0180 -1.0135 -0.7268 -0.7229 0.8536 0.8578 0.8744 0.8837 1.8462 1.8536 2.0577 2.0587 2.4707 2.4718 2.6082 2.6184 2.9596 2.9623 3.4226 3.4286 3.6161 3.6178 4.2986 4.3007 4.7842 4.7903 4.8147 4.8175 12.0752 12.0863 12.3803 12.3804 12.8738 12.8754 12.8834 12.8836 13.7176 13.7182 k =-0.3457 0.5587 0.1304 ( 4326 PWs) bands (ev): -13.3700 -13.3699 -13.1374 -13.1374 -11.2496 -11.2494 -9.8281 -9.8258 -8.9696 -8.9649 -8.6665 -8.6586 -3.3739 -3.3733 -2.0456 -2.0406 -1.4671 -1.4664 -0.9966 -0.9913 -0.9625 -0.9528 -0.7718 -0.7683 0.8625 0.8669 0.8914 0.9001 1.8187 1.8253 2.0485 2.0495 2.4759 2.4766 2.5949 2.6041 2.9826 2.9851 3.4155 3.4214 3.6307 3.6324 4.2961 4.2981 4.7784 4.7844 4.8053 4.8081 12.0536 12.0646 12.3598 12.3598 12.8238 12.8253 12.8982 12.8992 13.7091 13.7097 k =-0.3457 0.5587 0.1467 ( 4318 PWs) bands (ev): -13.3670 -13.3669 -13.1391 -13.1391 -11.2333 -11.2331 -9.8190 -9.8168 -9.0058 -9.0012 -8.6813 -8.6735 -3.3357 -3.3353 -2.0820 -2.0772 -1.4763 -1.4756 -0.9708 -0.9658 -0.8837 -0.8738 -0.8200 -0.8170 0.8726 0.8771 0.9082 0.9162 1.7883 1.7940 2.0389 2.0399 2.4823 2.4826 2.5792 2.5873 3.0072 3.0095 3.4085 3.4143 3.6460 3.6478 4.2935 4.2954 4.7716 4.7775 4.7947 4.7974 12.0338 12.0447 12.3361 12.3362 12.7732 12.7745 12.9147 12.9165 13.7004 13.7010 k =-0.3457 0.5587 0.1630 ( 4326 PWs) bands (ev): -13.3638 -13.3637 -13.1410 -13.1410 -11.2151 -11.2150 -9.8088 -9.8067 -9.0453 -9.0409 -8.6977 -8.6901 -3.2943 -3.2940 -2.1157 -2.1111 -1.4868 -1.4862 -0.9418 -0.9369 -0.8711 -0.8684 -0.8030 -0.7931 0.8838 0.8885 0.9244 0.9317 1.7552 1.7600 2.0291 2.0302 2.4894 2.4895 2.5610 2.5679 3.0332 3.0353 3.4017 3.4073 3.6619 3.6638 4.2907 4.2926 4.7637 4.7695 4.7829 4.7855 12.0164 12.0274 12.3089 12.3090 12.7247 12.7259 12.9323 12.9347 13.6909 13.6914 k =-0.3457 0.5587 0.1793 ( 4328 PWs) bands (ev): -13.3602 -13.3601 -13.1431 -13.1431 -11.1950 -11.1949 -9.7976 -9.7955 -9.0879 -9.0836 -8.7155 -8.7081 -3.2500 -3.2499 -2.1465 -2.1421 -1.4988 -1.4982 -0.9249 -0.9222 -0.9087 -0.9044 -0.7212 -0.7112 0.8962 0.9010 0.9394 0.9460 1.7197 1.7236 2.0195 2.0206 2.4971 2.4975 2.5402 2.5459 3.0602 3.0621 3.3950 3.4005 3.6783 3.6804 4.2879 4.2897 4.7547 4.7603 4.7699 4.7724 12.0022 12.0132 12.2778 12.2778 12.6805 12.6815 12.9506 12.9538 13.6798 13.6802 k =-0.3457 0.5587 0.1956 ( 4335 PWs) bands (ev): -13.3564 -13.3563 -13.1455 -13.1455 -11.1731 -11.1730 -9.7853 -9.7834 -9.1332 -9.1290 -8.7348 -8.7276 -3.2032 -3.2032 -2.1743 -2.1701 -1.5123 -1.5116 -0.9795 -0.9775 -0.8733 -0.8688 -0.6384 -0.6284 0.9098 0.9148 0.9530 0.9589 1.6820 1.6850 2.0103 2.0116 2.5050 2.5057 2.5169 2.5214 3.0879 3.0896 3.3885 3.3940 3.6953 3.6975 4.2851 4.2869 4.7446 4.7500 4.7557 4.7583 11.9916 12.0027 12.2425 12.2426 12.6420 12.6429 12.9697 12.9736 13.6664 13.6668 k =-0.3457 0.5587 0.2119 ( 4327 PWs) bands (ev): -13.3523 -13.3521 -13.1480 -13.1480 -11.1493 -11.1493 -9.7720 -9.7702 -9.1810 -9.1770 -8.7553 -8.7484 -3.1544 -3.1542 -2.1991 -2.1951 -1.5272 -1.5265 -1.0358 -1.0341 -0.8341 -0.8298 -0.5550 -0.5451 0.9246 0.9297 0.9648 0.9701 1.6422 1.6444 2.0020 2.0034 2.4898 2.4928 2.5141 2.5154 3.1159 3.1175 3.3823 3.3877 3.7128 3.7152 4.2824 4.2841 4.7333 4.7382 4.7405 4.7432 11.9851 11.9962 12.2036 12.2038 12.6105 12.6112 12.9893 12.9938 13.6502 13.6505 k =-0.3457 0.5587 0.2282 ( 4327 PWs) bands (ev): -13.3479 -13.3478 -13.1507 -13.1507 -11.1237 -11.1237 -9.7577 -9.7559 -9.2311 -9.2273 -8.7772 -8.7705 -3.1037 -3.1034 -2.2207 -2.2169 -1.5435 -1.5430 -1.0930 -1.0916 -0.7914 -0.7873 -0.4715 -0.4615 0.9405 0.9457 0.9748 0.9794 1.6006 1.6019 1.9949 1.9964 2.4607 2.4625 2.5225 2.5239 3.1440 3.1454 3.3764 3.3817 3.7308 3.7334 4.2799 4.2816 4.7206 4.7243 4.7245 4.7278 11.9828 11.9940 12.1618 12.1622 12.5859 12.5866 13.0091 13.0143 13.6304 13.6308 k =-0.3457 0.5587 0.2445 ( 4323 PWs) bands (ev): -13.3433 -13.3431 -13.1537 -13.1537 -11.0963 -11.0963 -9.7424 -9.7407 -9.2832 -9.2795 -8.8002 -8.7937 -3.0516 -3.0511 -2.2391 -2.2356 -1.5614 -1.5608 -1.1508 -1.1497 -0.7454 -0.7416 -0.3881 -0.3782 0.9575 0.9629 0.9828 0.9867 1.5573 1.5578 1.9892 1.9909 2.4286 2.4292 2.5306 2.5323 3.1718 3.1729 3.3709 3.3761 3.7494 3.7522 4.2777 4.2794 4.7067 4.7072 4.7083 4.7128 11.9850 11.9962 12.1187 12.1193 12.5679 12.5686 13.0288 13.0347 13.6065 13.6069 k =-0.3457 0.5587 0.2608 ( 4326 PWs) bands (ev): -13.3384 -13.3383 -13.1568 -13.1568 -11.0672 -11.0671 -9.7261 -9.7245 -9.3370 -9.3334 -8.8244 -8.8181 -2.9983 -2.9977 -2.2544 -2.2511 -1.5807 -1.5802 -1.2089 -1.2080 -0.6962 -0.6926 -0.3051 -0.2953 0.9756 0.9808 0.9890 0.9919 1.5122 1.5125 1.9853 1.9872 2.3931 2.3936 2.5380 2.5399 3.1989 3.1998 3.3658 3.3710 3.7686 3.7716 4.2759 4.2775 4.6892 4.6905 4.6914 4.6970 11.9919 12.0031 12.0758 12.0766 12.5558 12.5565 13.0478 13.0544 13.5776 13.5782 k =-0.3457 0.5587 0.2771 ( 4326 PWs) bands (ev): -13.3333 -13.3332 -13.1602 -13.1601 -11.0362 -11.0361 -9.7087 -9.7073 -9.3923 -9.3889 -8.8495 -8.8435 -2.9441 -2.9434 -2.2664 -2.2634 -1.6015 -1.6010 -1.2670 -1.2664 -0.6437 -0.6404 -0.2231 -0.2133 0.9914 0.9931 0.9964 1.0012 1.4655 1.4664 1.9835 1.9856 2.3542 2.3559 2.5444 2.5465 3.2250 3.2256 3.3612 3.3664 3.7886 3.7917 4.2746 4.2762 4.6706 4.6717 4.6746 4.6801 12.0033 12.0144 12.0346 12.0358 12.5488 12.5494 13.0656 13.0728 13.5428 13.5436 k =-0.3457 0.5587 0.2934 ( 4327 PWs) bands (ev): -13.3281 -13.3280 -13.1637 -13.1637 -11.0036 -11.0034 -9.6904 -9.6891 -9.4489 -9.4456 -8.8756 -8.8699 -2.8894 -2.8886 -2.2753 -2.2725 -1.6238 -1.6233 -1.3249 -1.3244 -0.5882 -0.5852 -0.1422 -0.1325 0.9931 0.9952 1.0149 1.0209 1.4178 1.4193 1.9841 1.9863 2.3127 2.3156 2.5493 2.5517 3.2496 3.2499 3.3573 3.3624 3.8094 3.8127 4.2738 4.2754 4.6513 4.6523 4.6565 4.6618 11.9962 11.9974 12.0194 12.0309 12.5459 12.5466 13.0813 13.0892 13.5012 13.5023 k =-0.3457 0.5587 0.3097 ( 4325 PWs) bands (ev): -13.3226 -13.3225 -13.1675 -13.1674 -10.9692 -10.9689 -9.6712 -9.6700 -9.5065 -9.5034 -8.9025 -8.8971 -2.8344 -2.8335 -2.2810 -2.2784 -1.6475 -1.6471 -1.3824 -1.3820 -0.5297 -0.5271 -0.0629 -0.0533 0.9922 0.9937 1.0352 1.0412 1.3697 1.3716 1.9873 1.9897 2.2688 2.2728 2.5525 2.5550 3.2723 3.2723 3.3543 3.3594 3.8312 3.8346 4.2737 4.2753 4.6316 4.6324 4.6370 4.6422 11.9621 11.9636 12.0399 12.0514 12.5464 12.5471 13.0940 13.1026 13.4517 13.4534 k =-0.3457 0.5587 0.3260 ( 4324 PWs) bands (ev): -13.3171 -13.3169 -13.1714 -13.1714 -10.9331 -10.9328 -9.6510 -9.6500 -9.5650 -9.5620 -8.9302 -8.9250 -2.7793 -2.7783 -2.2835 -2.2812 -1.6726 -1.6723 -1.4392 -1.4390 -0.4684 -0.4662 0.0145 0.0240 0.9891 0.9900 1.0551 1.0609 1.3222 1.3243 1.9933 1.9959 2.2226 2.2277 2.5536 2.5563 3.2921 3.2926 3.3524 3.3575 3.8540 3.8575 4.2743 4.2759 4.6115 4.6121 4.6161 4.6212 11.9330 11.9347 12.0649 12.0763 12.5495 12.5502 13.1025 13.1118 13.3942 13.3966 k =-0.3457 0.5587 0.3424 ( 4324 PWs) bands (ev): -13.3113 -13.3112 -13.1756 -13.1755 -10.8953 -10.8950 -9.6300 -9.6292 -9.6239 -9.6211 -8.9585 -8.9536 -2.7243 -2.7233 -2.2830 -2.2809 -1.6992 -1.6989 -1.4951 -1.4951 -0.4046 -0.4027 0.0897 0.0990 0.9838 0.9841 1.0726 1.0777 1.2777 1.2793 2.0023 2.0051 2.1744 2.1805 2.5523 2.5551 3.3089 3.3097 3.3523 3.3573 3.8780 3.8815 4.2758 4.2773 4.5911 4.5915 4.5938 4.5989 11.9095 11.9115 12.0940 12.1054 12.5540 12.5547 13.1057 13.1156 13.3297 13.3328 k =-0.3457 0.5587 0.3587 ( 4327 PWs) bands (ev): -13.3055 -13.3054 -13.1799 -13.1798 -10.8560 -10.8556 -9.6837 -9.6810 -9.6079 -9.6072 -8.9874 -8.9828 -2.6698 -2.6687 -2.2794 -2.2775 -1.7272 -1.7269 -1.5502 -1.5501 -0.3383 -0.3368 0.1623 0.1714 0.9760 0.9762 1.0824 1.0855 1.2420 1.2422 2.0144 2.0173 2.1245 2.1316 2.5484 2.5513 3.3216 3.3226 3.3547 3.3594 3.9032 3.9068 4.2780 4.2795 4.5701 4.5705 4.5708 4.5755 11.8922 11.8945 12.1271 12.1386 12.5587 12.5594 13.1024 13.1127 13.2608 13.2644 k =-0.3457 0.5587 0.3750 ( 4333 PWs) bands (ev): -13.2995 -13.2994 -13.1844 -13.1844 -10.8150 -10.8145 -9.7435 -9.7410 -9.5850 -9.5845 -9.0167 -9.0124 -2.6157 -2.6146 -2.2727 -2.2711 -1.7566 -1.7564 -1.6041 -1.6040 -0.2698 -0.2689 0.2320 0.2409 0.9658 0.9665 1.0735 1.0739 1.2229 1.2266 2.0296 2.0327 2.0732 2.0811 2.5415 2.5446 3.3301 3.3306 3.3604 3.3642 3.9297 3.9333 4.2812 4.2827 4.5452 4.5480 4.5504 4.5524 11.8816 11.8842 12.1640 12.1754 12.5617 12.5623 13.0918 13.1024 13.1912 13.1952 k =-0.3457 0.5587 0.3913 ( 4331 PWs) bands (ev): -13.2935 -13.2934 -13.1891 -13.1890 -10.7725 -10.7719 -9.8035 -9.8011 -9.5613 -9.5609 -9.0465 -9.0425 -2.5622 -2.5612 -2.2631 -2.2617 -1.7873 -1.7872 -1.6567 -1.6565 -0.1994 -0.1990 0.2987 0.3073 0.9534 0.9547 1.0384 1.0416 1.2277 1.2342 2.0206 2.0293 2.0482 2.0513 2.5316 2.5348 3.3352 3.3354 3.3678 3.3705 3.9574 3.9610 4.2854 4.2869 4.5191 4.5226 4.5301 4.5310 11.8780 11.8808 12.2044 12.2157 12.5605 12.5610 13.0735 13.0842 13.1255 13.1298 k =-0.3457 0.5587 0.4076 ( 4334 PWs) bands (ev): -13.2874 -13.2872 -13.1940 -13.1939 -10.7284 -10.7278 -9.8635 -9.8612 -9.5368 -9.5366 -9.0765 -9.0728 -2.5096 -2.5085 -2.2506 -2.2493 -1.8195 -1.8194 -1.7079 -1.7076 -0.1275 -0.1274 0.3620 0.3703 0.9390 0.9407 0.9893 0.9940 1.2478 1.2558 1.9674 1.9769 2.0695 2.0728 2.5186 2.5218 3.3386 3.3391 3.3747 3.3767 3.9863 3.9899 4.2906 4.2920 4.4918 4.4955 4.5101 4.5106 11.8815 11.8845 12.2479 12.2592 12.5519 12.5519 13.0476 13.0583 13.0690 13.0731 k =-0.3457 0.5587 0.4239 ( 4333 PWs) bands (ev): -13.2812 -13.2811 -13.1990 -13.1989 -10.6829 -10.6822 -9.9233 -9.9212 -9.5115 -9.5115 -9.1068 -9.1034 -2.4578 -2.4567 -2.2352 -2.2341 -1.8530 -1.8530 -1.7575 -1.7572 -0.0548 -0.0541 0.4219 0.4299 0.9224 0.9243 0.9336 0.9386 1.2756 1.2844 1.9138 1.9238 2.0938 2.0972 2.5024 2.5057 3.3418 3.3426 3.3802 3.3816 4.0163 4.0198 4.2969 4.2982 4.4634 4.4671 4.4905 4.4908 11.8921 11.8954 12.2943 12.3055 12.5317 12.5322 13.0146 13.0253 13.0266 13.0303 k =-0.3457 0.5587 0.4402 ( 4333 PWs) bands (ev): -13.2750 -13.2749 -13.2042 -13.2041 -10.6359 -10.6352 -9.9828 -9.9808 -9.4857 -9.4855 -9.1372 -9.1341 -2.4070 -2.4060 -2.2170 -2.2161 -1.8880 -1.8879 -1.8054 -1.8052 0.0190 0.0202 0.4782 0.4859 0.8730 0.8787 0.9038 0.9065 1.3078 1.3172 1.8601 1.8706 2.1207 2.1241 2.4830 2.4864 3.3454 3.3462 3.3839 3.3848 4.0472 4.0507 4.3042 4.3055 4.4341 4.4377 4.4714 4.4714 11.9100 11.9134 12.3432 12.3543 12.4981 12.4994 12.9758 12.9866 13.0010 13.0040 k =-0.3457 0.5587 0.4565 ( 4331 PWs) bands (ev): -13.2688 -13.2687 -13.2095 -13.2095 -10.5876 -10.5867 -10.0418 -10.0400 -9.4592 -9.4588 -9.1677 -9.1648 -2.3572 -2.3562 -2.1960 -2.1953 -1.9243 -1.9241 -1.8516 -1.8514 0.0935 0.0953 0.5309 0.5382 0.8101 0.8158 0.8829 0.8861 1.3431 1.3530 1.8067 1.8176 2.1499 2.1533 2.4607 2.4641 3.3495 3.3503 3.3857 3.3863 4.0789 4.0823 4.3126 4.3138 4.4039 4.4074 4.4527 4.4529 11.9348 11.9385 12.3941 12.4053 12.4523 12.4540 12.9320 12.9426 12.9925 12.9949 k =-0.3457 0.5587 0.4728 ( 4331 PWs) bands (ev): -13.2626 -13.2625 -13.2150 -13.2150 -10.5379 -10.5370 -10.1004 -10.0986 -9.4321 -9.4314 -9.1981 -9.1955 -2.3085 -2.3075 -2.1724 -2.1718 -1.9619 -1.9616 -1.8959 -1.8957 0.1684 0.1707 0.5801 0.5870 0.7447 0.7503 0.8598 0.8635 1.3810 1.3913 1.7538 1.7650 2.1810 2.1844 2.4355 2.4389 3.3541 3.3547 3.3858 3.3863 4.1112 4.1146 4.3220 4.3232 4.3729 4.3764 4.4346 4.4350 11.9666 11.9703 12.3962 12.3994 12.4478 12.4582 12.8842 12.8946 12.9984 13.0003 k =-0.3457 0.5587 0.4891 ( 4328 PWs) bands (ev): -13.2564 -13.2563 -13.2206 -13.2206 -10.4870 -10.4860 -10.1583 -10.1566 -9.4043 -9.4035 -9.2284 -9.2261 -2.2609 -2.2600 -2.1462 -2.1458 -2.0008 -2.0004 -1.9382 -1.9380 0.2433 0.2462 0.6257 0.6322 0.6774 0.6828 0.8345 0.8385 1.4212 1.4318 1.7019 1.7133 2.2134 2.2168 2.4079 2.4113 3.3589 3.3595 3.3844 3.3848 4.1440 4.1474 4.3326 4.3334 4.3415 4.3447 4.4173 4.4178 12.0049 12.0087 12.3362 12.3395 12.5019 12.5124 12.8332 12.8436 13.0152 13.0167 k =-0.3457 0.5587 0.5054 ( 4332 PWs) bands (ev): -13.2503 -13.2502 -13.2264 -13.2263 -10.4348 -10.4337 -10.2154 -10.2139 -9.3761 -9.3750 -9.2586 -9.2565 -2.2145 -2.2137 -2.1174 -2.1171 -2.0409 -2.0405 -1.9784 -1.9784 0.3179 0.3214 0.6080 0.6132 0.6681 0.6743 0.8066 0.8111 1.4635 1.4744 1.6511 1.6626 2.2467 2.2502 2.3781 2.3816 3.3640 3.3645 3.3818 3.3821 4.1770 4.1804 4.3089 4.3124 4.3442 4.3454 4.4008 4.4015 12.0493 12.0532 12.2742 12.2778 12.5573 12.5677 12.7799 12.7903 13.0399 13.0411 k =-0.3457 0.5587 0.5217 ( 4330 PWs) bands (ev): -13.2442 -13.2441 -13.2322 -13.2321 -10.3815 -10.3803 -10.2717 -10.2703 -9.3473 -9.3460 -9.2885 -9.2867 -2.1693 -2.1686 -2.0871 -2.0868 -2.0814 -2.0812 -2.0165 -2.0165 0.3920 0.3960 0.5373 0.5422 0.7071 0.7129 0.7762 0.7812 1.5077 1.5189 1.6017 1.6131 2.2804 2.2839 2.3466 2.3501 3.3690 3.3694 3.3782 3.3785 4.2102 4.2136 4.2762 4.2797 4.3569 4.3579 4.3852 4.3860 12.0993 12.1033 12.2129 12.2167 12.6132 12.6236 12.7251 12.7354 13.0704 13.0713 k =-0.3457 0.5587 0.5380 ( 4326 PWs) bands (ev): -13.2382 -13.2382 -13.2381 -13.2381 -10.3271 -10.3271 -10.3258 -10.3258 -9.3181 -9.3181 -9.3165 -9.3165 -2.1253 -2.1253 -2.1247 -2.1247 -2.0524 -2.0524 -2.0523 -2.0523 0.4652 0.4652 0.4697 0.4697 0.7431 0.7431 0.7485 0.7485 1.5539 1.5539 1.5652 1.5652 2.3139 2.3139 2.3173 2.3173 3.3738 3.3738 3.3742 3.3742 4.2433 4.2433 4.2467 4.2467 4.3706 4.3706 4.3715 4.3715 12.1542 12.1542 12.1581 12.1581 12.6693 12.6693 12.6797 12.6797 13.1051 13.1051 k =-0.3457 0.5587 0.5380 ( 4326 PWs) bands (ev): -13.2382 -13.2382 -13.2381 -13.2381 -10.3271 -10.3271 -10.3258 -10.3258 -9.3181 -9.3181 -9.3165 -9.3165 -2.1253 -2.1253 -2.1247 -2.1247 -2.0524 -2.0524 -2.0523 -2.0523 0.4652 0.4652 0.4697 0.4697 0.7431 0.7431 0.7485 0.7485 1.5539 1.5539 1.5652 1.5652 2.3139 2.3139 2.3173 2.3173 3.3738 3.3738 3.3742 3.3742 4.2433 4.2433 4.2467 4.2467 4.3706 4.3706 4.3715 4.3715 12.1542 12.1542 12.1581 12.1581 12.6693 12.6693 12.6797 12.6797 13.1051 13.1051 k =-0.3543 0.5449 0.5380 ( 4320 PWs) bands (ev): -13.2352 -13.2352 -13.2351 -13.2351 -10.3553 -10.3553 -10.3540 -10.3540 -9.2868 -9.2868 -9.2853 -9.2853 -2.1230 -2.1230 -2.1228 -2.1228 -2.0861 -2.0861 -2.0855 -2.0855 0.4806 0.4806 0.4851 0.4851 0.7503 0.7503 0.7553 0.7553 1.5635 1.5635 1.5746 1.5746 2.3250 2.3250 2.3283 2.3283 3.3642 3.3642 3.3647 3.3647 4.2169 4.2169 4.2203 4.2203 4.4002 4.4002 4.4011 4.4011 12.1053 12.1053 12.1091 12.1091 12.6627 12.6627 12.6726 12.6726 13.1344 13.1344 k =-0.3629 0.5310 0.5380 ( 4324 PWs) bands (ev): -13.2323 -13.2323 -13.2323 -13.2323 -10.3820 -10.3820 -10.3808 -10.3808 -9.2563 -9.2563 -9.2548 -9.2548 -2.1909 -2.1909 -2.1907 -2.1907 -2.0494 -2.0494 -2.0487 -2.0487 0.4944 0.4944 0.4988 0.4988 0.7572 0.7572 0.7619 0.7619 1.5738 1.5738 1.5846 1.5846 2.3371 2.3371 2.3402 2.3402 3.3539 3.3539 3.3545 3.3545 4.1919 4.1919 4.1953 4.1953 4.4303 4.4303 4.4311 4.4311 12.0562 12.0562 12.0599 12.0599 12.6553 12.6553 12.6647 12.6647 13.1649 13.1649 k =-0.3714 0.5172 0.5380 ( 4324 PWs) bands (ev): -13.2297 -13.2297 -13.2296 -13.2296 -10.4072 -10.4072 -10.4061 -10.4061 -9.2265 -9.2265 -9.2251 -9.2251 -2.2565 -2.2565 -2.2562 -2.2562 -2.0147 -2.0147 -2.0141 -2.0141 0.5065 0.5065 0.5108 0.5108 0.7640 0.7640 0.7684 0.7684 1.5845 1.5845 1.5949 1.5949 2.3498 2.3498 2.3528 2.3528 3.3429 3.3429 3.3436 3.3436 4.1685 4.1685 4.1719 4.1719 4.4606 4.4606 4.4614 4.4614 12.0078 12.0078 12.0114 12.0114 12.6476 12.6476 12.6565 12.6565 13.1958 13.1958 k =-0.3800 0.5033 0.5380 ( 4328 PWs) bands (ev): -13.2271 -13.2271 -13.2271 -13.2271 -10.4310 -10.4310 -10.4299 -10.4299 -9.1977 -9.1977 -9.1963 -9.1963 -2.3194 -2.3194 -2.3190 -2.3190 -1.9822 -1.9822 -1.9816 -1.9816 0.5173 0.5173 0.5214 0.5214 0.7706 0.7706 0.7746 0.7746 1.5955 1.5955 1.6055 1.6055 2.3632 2.3632 2.3659 2.3659 3.3313 3.3313 3.3321 3.3321 4.1467 4.1467 4.1500 4.1500 4.4908 4.4908 4.4917 4.4917 11.9607 11.9607 11.9641 11.9641 12.6402 12.6402 12.6486 12.6486 13.2264 13.2264 k =-0.3886 0.4895 0.5380 ( 4332 PWs) bands (ev): -13.2248 -13.2248 -13.2247 -13.2247 -10.4532 -10.4532 -10.4522 -10.4522 -9.1701 -9.1701 -9.1688 -9.1688 -2.3792 -2.3792 -2.3788 -2.3788 -1.9519 -1.9519 -1.9513 -1.9513 0.5266 0.5266 0.5306 0.5306 0.7769 0.7769 0.7806 0.7806 1.6065 1.6065 1.6160 1.6160 2.3769 2.3769 2.3795 2.3795 3.3193 3.3193 3.3201 3.3201 4.1265 4.1265 4.1297 4.1297 4.5208 4.5208 4.5216 4.5216 11.9153 11.9153 11.9185 11.9185 12.6336 12.6336 12.6414 12.6414 13.2561 13.2563 k =-0.3971 0.4756 0.5380 ( 4332 PWs) bands (ev): -13.2226 -13.2226 -13.2225 -13.2225 -10.4739 -10.4739 -10.4730 -10.4730 -9.1437 -9.1437 -9.1424 -9.1424 -2.4358 -2.4358 -2.4354 -2.4354 -1.9238 -1.9238 -1.9232 -1.9232 0.5348 0.5348 0.5386 0.5386 0.7829 0.7829 0.7864 0.7864 1.6174 1.6174 1.6264 1.6264 2.3909 2.3909 2.3932 2.3932 3.3070 3.3070 3.3078 3.3078 4.1079 4.1079 4.1110 4.1110 4.5502 4.5502 4.5510 4.5510 11.8721 11.8721 11.8751 11.8751 12.6280 12.6280 12.6353 12.6353 13.2847 13.2848 k =-0.4057 0.4618 0.5380 ( 4332 PWs) bands (ev): -13.2206 -13.2206 -13.2205 -13.2205 -10.4930 -10.4930 -10.4921 -10.4921 -9.1187 -9.1187 -9.1175 -9.1175 -2.4889 -2.4889 -2.4884 -2.4884 -1.8980 -1.8980 -1.8974 -1.8974 0.5419 0.5419 0.5454 0.5454 0.7886 0.7886 0.7918 0.7918 1.6279 1.6279 1.6364 1.6364 2.4048 2.4048 2.4070 2.4070 3.2945 3.2945 3.2953 3.2953 4.0910 4.0910 4.0939 4.0939 4.5787 4.5787 4.5795 4.5795 11.8314 11.8314 11.8342 11.8342 12.6239 12.6239 12.6307 12.6307 13.3118 13.3118 k =-0.4143 0.4479 0.5380 ( 4330 PWs) bands (ev): -13.2187 -13.2187 -13.2186 -13.2186 -10.5105 -10.5105 -10.5097 -10.5097 -9.0953 -9.0953 -9.0942 -9.0942 -2.5382 -2.5382 -2.5378 -2.5378 -1.8743 -1.8743 -1.8738 -1.8738 0.5480 0.5480 0.5513 0.5513 0.7939 0.7939 0.7968 0.7968 1.6381 1.6381 1.6459 1.6459 2.4186 2.4186 2.4206 2.4206 3.2820 3.2820 3.2828 3.2828 4.0756 4.0756 4.0784 4.0784 4.6061 4.6061 4.6067 4.6067 11.7935 11.7935 11.7960 11.7960 12.6213 12.6213 12.6276 12.6276 13.3370 13.3370 k =-0.4229 0.4341 0.5380 ( 4318 PWs) bands (ev): -13.2170 -13.2170 -13.2170 -13.2170 -10.5263 -10.5263 -10.5257 -10.5257 -9.0736 -9.0736 -9.0726 -9.0726 -2.5836 -2.5836 -2.5832 -2.5832 -1.8529 -1.8529 -1.8524 -1.8524 0.5533 0.5533 0.5563 0.5563 0.7989 0.7989 0.8015 0.8015 1.6476 1.6476 1.6547 1.6547 2.4320 2.4320 2.4339 2.4339 3.2698 3.2698 3.2705 3.2705 4.0619 4.0619 4.0644 4.0644 4.6320 4.6320 4.6326 4.6326 11.7586 11.7586 11.7609 11.7609 12.6204 12.6204 12.6261 12.6261 13.3603 13.3603 k =-0.4314 0.4202 0.5380 ( 4318 PWs) bands (ev): -13.2155 -13.2155 -13.2155 -13.2155 -10.5406 -10.5406 -10.5400 -10.5400 -9.0537 -9.0537 -9.0528 -9.0528 -2.6248 -2.6248 -2.6244 -2.6244 -1.8338 -1.8338 -1.8333 -1.8333 0.5578 0.5578 0.5605 0.5605 0.8035 0.8035 0.8058 0.8058 1.6564 1.6564 1.6629 1.6629 2.4449 2.4449 2.4465 2.4465 3.2579 3.2579 3.2586 3.2586 4.0497 4.0497 4.0520 4.0520 4.6560 4.6560 4.6566 4.6566 11.7269 11.7269 11.7289 11.7289 12.6211 12.6211 12.6262 12.6262 13.3814 13.3815 k =-0.4400 0.4063 0.5380 ( 4330 PWs) bands (ev): -13.2142 -13.2142 -13.2141 -13.2141 -10.5532 -10.5532 -10.5527 -10.5527 -9.0359 -9.0359 -9.0351 -9.0351 -2.6616 -2.6616 -2.6613 -2.6613 -1.8169 -1.8169 -1.8165 -1.8165 0.5616 0.5616 0.5640 0.5640 0.8076 0.8076 0.8096 0.8096 1.6645 1.6645 1.6702 1.6702 2.4569 2.4569 2.4584 2.4584 3.2467 3.2467 3.2474 3.2474 4.0391 4.0391 4.0412 4.0412 4.6781 4.6781 4.6785 4.6785 11.6986 11.6986 11.7004 11.7004 12.6232 12.6232 12.6277 12.6277 13.4003 13.4003 k =-0.4486 0.3925 0.5380 ( 4342 PWs) bands (ev): -13.2130 -13.2130 -13.2130 -13.2130 -10.5641 -10.5641 -10.5637 -10.5637 -9.0201 -9.0201 -9.0194 -9.0194 -2.6939 -2.6939 -2.6936 -2.6936 -1.8022 -1.8022 -1.8019 -1.8019 0.5648 0.5648 0.5669 0.5669 0.8112 0.8112 0.8130 0.8130 1.6717 1.6717 1.6766 1.6766 2.4680 2.4680 2.4692 2.4692 3.2364 3.2364 3.2370 3.2370 4.0300 4.0300 4.0318 4.0318 4.6978 4.6978 4.6982 4.6982 11.6738 11.6738 11.6753 11.6753 12.6265 12.6265 12.6304 12.6304 13.4167 13.4168 k =-0.4571 0.3786 0.5380 ( 4338 PWs) bands (ev): -13.2120 -13.2120 -13.2120 -13.2120 -10.5734 -10.5734 -10.5730 -10.5730 -9.0065 -9.0065 -9.0060 -9.0060 -2.7215 -2.7215 -2.7212 -2.7212 -1.7898 -1.7898 -1.7895 -1.7895 0.5674 0.5674 0.5692 0.5692 0.8144 0.8144 0.8158 0.8158 1.6779 1.6779 1.6820 1.6820 2.4778 2.4778 2.4788 2.4788 3.2272 3.2272 3.2277 3.2277 4.0224 4.0224 4.0239 4.0239 4.7149 4.7149 4.7152 4.7152 11.6526 11.6526 11.6539 11.6539 12.6306 12.6306 12.6339 12.6339 13.4308 13.4308 k =-0.4657 0.3648 0.5380 ( 4350 PWs) bands (ev): -13.2112 -13.2112 -13.2112 -13.2112 -10.5810 -10.5810 -10.5807 -10.5807 -8.9953 -8.9953 -8.9948 -8.9948 -2.7443 -2.7443 -2.7441 -2.7441 -1.7797 -1.7797 -1.7794 -1.7794 0.5695 0.5695 0.5709 0.5709 0.8170 0.8170 0.8182 0.8182 1.6831 1.6831 1.6864 1.6864 2.4862 2.4862 2.4870 2.4870 3.2193 3.2193 3.2197 3.2197 4.0163 4.0163 4.0175 4.0175 4.7292 4.7292 4.7295 4.7295 11.6352 11.6352 11.6363 11.6363 12.6351 12.6351 12.6377 12.6377 13.4423 13.4423 k =-0.4743 0.3509 0.5380 ( 4350 PWs) bands (ev): -13.2106 -13.2106 -13.2106 -13.2106 -10.5869 -10.5869 -10.5867 -10.5867 -8.9865 -8.9865 -8.9861 -8.9861 -2.7621 -2.7621 -2.7619 -2.7619 -1.7718 -1.7718 -1.7716 -1.7716 0.5712 0.5712 0.5722 0.5722 0.8191 0.8191 0.8200 0.8200 1.6873 1.6873 1.6898 1.6898 2.4929 2.4929 2.4936 2.4936 3.2130 3.2130 3.2132 3.2132 4.0115 4.0115 4.0125 4.0125 4.7406 4.7406 4.7408 4.7408 11.6216 11.6216 11.6224 11.6224 12.6393 12.6393 12.6414 12.6414 13.4513 13.4513 k =-0.4829 0.3371 0.5380 ( 4356 PWs) bands (ev): -13.2101 -13.2101 -13.2101 -13.2101 -10.5911 -10.5911 -10.5910 -10.5910 -8.9801 -8.9801 -8.9798 -8.9798 -2.7749 -2.7749 -2.7748 -2.7748 -1.7661 -1.7661 -1.7660 -1.7660 0.5724 0.5724 0.5731 0.5731 0.8207 0.8207 0.8213 0.8213 1.6905 1.6905 1.6921 1.6921 2.4979 2.4979 2.4983 2.4983 3.2083 3.2083 3.2085 3.2085 4.0082 4.0082 4.0088 4.0088 4.7488 4.7488 4.7489 4.7489 11.6119 11.6119 11.6124 11.6124 12.6430 12.6430 12.6443 12.6443 13.4577 13.4577 k =-0.4914 0.3232 0.5380 ( 4360 PWs) bands (ev): -13.2099 -13.2099 -13.2099 -13.2099 -10.5936 -10.5936 -10.5936 -10.5936 -8.9762 -8.9762 -8.9761 -8.9761 -2.7826 -2.7826 -2.7825 -2.7825 -1.7627 -1.7627 -1.7627 -1.7627 0.5732 0.5732 0.5735 0.5735 0.8217 0.8217 0.8220 0.8220 1.6925 1.6925 1.6934 1.6934 2.5010 2.5010 2.5012 2.5012 3.2054 3.2054 3.2055 3.2055 4.0063 4.0063 4.0066 4.0066 4.7538 4.7538 4.7539 4.7539 11.6061 11.6061 11.6064 11.6064 12.6455 12.6455 12.6462 12.6462 13.4616 13.4616 k =-0.5000 0.3094 0.5380 ( 4368 PWs) bands (ev): -13.2098 -13.2098 -13.2098 -13.2098 -10.5944 -10.5944 -10.5944 -10.5944 -8.9749 -8.9749 -8.9749 -8.9749 -2.7852 -2.7852 -2.7852 -2.7852 -1.7616 -1.7616 -1.7616 -1.7616 0.5736 0.5736 0.5736 0.5736 0.8221 0.8221 0.8221 0.8221 1.6935 1.6935 1.6935 1.6935 2.5021 2.5021 2.5021 2.5021 3.2045 3.2045 3.2045 3.2045 4.0058 4.0058 4.0058 4.0058 4.7555 4.7555 4.7555 4.7555 11.6043 11.6043 11.6043 11.6043 12.6466 12.6466 12.6466 12.6466 13.4629 13.4629 k =-0.5000 0.3094 0.5380 ( 4368 PWs) bands (ev): -13.2098 -13.2098 -13.2098 -13.2098 -10.5944 -10.5944 -10.5944 -10.5944 -8.9749 -8.9749 -8.9749 -8.9749 -2.7852 -2.7852 -2.7852 -2.7852 -1.7616 -1.7616 -1.7616 -1.7616 0.5736 0.5736 0.5736 0.5736 0.8221 0.8221 0.8221 0.8221 1.6935 1.6935 1.6935 1.6935 2.5021 2.5021 2.5021 2.5021 3.2045 3.2045 3.2045 3.2045 4.0058 4.0058 4.0058 4.0058 4.7555 4.7555 4.7555 4.7555 11.6043 11.6043 11.6043 11.6043 12.6466 12.6466 12.6466 12.6466 13.4629 13.4629 k =-0.5000 0.3094 0.5217 ( 4360 PWs) bands (ev): -13.2146 -13.2146 -13.2050 -13.2050 -10.6513 -10.6513 -10.5364 -10.5364 -8.9800 -8.9800 -8.9699 -8.9699 -2.7889 -2.7889 -2.7783 -2.7783 -1.8082 -1.8082 -1.7178 -1.7178 0.4853 0.4853 0.6625 0.6625 0.8163 0.8163 0.8257 0.8257 1.6654 1.6654 1.7237 1.7237 2.4993 2.4993 2.5026 2.5026 3.1917 3.1917 3.2151 3.2151 3.9765 3.9765 4.0356 4.0356 4.7547 4.7547 4.7571 4.7571 11.6057 11.6057 11.6111 11.6111 12.6434 12.6434 12.6463 12.6463 13.4185 13.4185 k =-0.5000 0.3094 0.5054 ( 4356 PWs) bands (ev): -13.2195 -13.2195 -13.2003 -13.2003 -10.7070 -10.7070 -10.4774 -10.4774 -8.9853 -8.9853 -8.9651 -8.9651 -2.7895 -2.7895 -2.7683 -2.7683 -1.8577 -1.8577 -1.6768 -1.6768 0.3986 0.3986 0.7512 0.7512 0.8082 0.8082 0.8272 0.8272 1.6401 1.6401 1.7555 1.7555 2.4942 2.4942 2.5009 2.5009 3.1765 3.1765 3.2237 3.2237 3.9481 3.9481 4.0658 4.0658 4.7549 4.7549 4.7596 4.7596 11.6150 11.6150 11.6263 11.6263 12.6374 12.6374 12.6422 12.6422 13.3735 13.3735 k =-0.5000 0.3094 0.4891 ( 4352 PWs) bands (ev): -13.2245 -13.2245 -13.1956 -13.1956 -10.7615 -10.7615 -10.4174 -10.4174 -8.9908 -8.9908 -8.9606 -8.9606 -2.7870 -2.7870 -2.7552 -2.7552 -1.9103 -1.9103 -1.6384 -1.6384 0.3139 0.3139 0.7975 0.7975 0.8266 0.8266 0.8382 0.8382 1.6186 1.6186 1.7886 1.7886 2.4868 2.4868 2.4971 2.4971 3.1587 3.1587 3.2306 3.2306 3.9208 3.9208 4.0961 4.0961 4.7560 4.7560 4.7628 4.7628 11.6321 11.6321 11.6499 11.6499 12.6289 12.6289 12.6341 12.6341 13.3282 13.3282 k =-0.5000 0.3094 0.4728 ( 4356 PWs) bands (ev): -13.2294 -13.2294 -13.1911 -13.1911 -10.8146 -10.8146 -10.3566 -10.3566 -8.9964 -8.9964 -8.9562 -8.9562 -2.7813 -2.7813 -2.7391 -2.7391 -1.9660 -1.9660 -1.6026 -1.6026 0.2319 0.2319 0.7844 0.7844 0.8240 0.8240 0.9214 0.9214 1.6027 1.6027 1.8225 1.8225 2.4771 2.4771 2.4914 2.4914 3.1386 3.1386 3.2361 3.2361 3.8946 3.8946 4.1263 4.1263 4.7582 4.7582 4.7668 4.7668 11.6565 11.6565 11.6819 11.6819 12.6183 12.6183 12.6219 12.6219 13.2833 13.2833 k =-0.5000 0.3094 0.4565 ( 4356 PWs) bands (ev): -13.2344 -13.2344 -13.1866 -13.1866 -10.8664 -10.8664 -10.2949 -10.2949 -9.0021 -9.0021 -8.9521 -8.9521 -2.7725 -2.7725 -2.7200 -2.7200 -2.0247 -2.0247 -1.5691 -1.5691 0.1530 0.1530 0.7685 0.7685 0.8193 0.8193 0.9981 0.9981 1.5947 1.5947 1.8572 1.8572 2.4651 2.4651 2.4839 2.4839 3.1161 3.1161 3.2404 3.2404 3.8696 3.8696 4.1560 4.1560 4.7614 4.7614 4.7714 4.7714 11.6877 11.6877 11.7222 11.7222 12.6043 12.6043 12.6076 12.6076 13.2393 13.2393 k =-0.5000 0.3094 0.4402 ( 4352 PWs) bands (ev): -13.2393 -13.2393 -13.1823 -13.1823 -10.9167 -10.9167 -10.2327 -10.2327 -9.0079 -9.0079 -8.9482 -8.9482 -2.7607 -2.7607 -2.6979 -2.6979 -2.0863 -2.0863 -1.5378 -1.5378 0.0774 0.0774 0.7497 0.7497 0.8126 0.8126 1.0647 1.0647 1.5980 1.5980 1.8923 1.8923 2.4509 2.4509 2.4750 2.4750 3.0916 3.0916 3.2439 3.2439 3.8459 3.8459 4.1851 4.1851 4.7658 4.7658 4.7767 4.7767 11.7250 11.7250 11.7706 11.7706 12.5842 12.5842 12.5944 12.5944 13.1968 13.1968 k =-0.5000 0.3094 0.4239 ( 4352 PWs) bands (ev): -13.2443 -13.2443 -13.1780 -13.1780 -10.9655 -10.9655 -10.1699 -10.1699 -9.0138 -9.0138 -8.9445 -8.9445 -2.7457 -2.7457 -2.6730 -2.6730 -2.1509 -2.1509 -1.5086 -1.5086 0.0053 0.0053 0.7278 0.7278 0.8037 0.8037 1.1170 1.1170 1.6163 1.6163 1.9278 1.9278 2.4345 2.4345 2.4649 2.4649 3.0654 3.0654 3.2467 3.2467 3.8233 3.8233 4.2134 4.2134 4.7712 4.7712 4.7824 4.7824 11.7678 11.7678 11.8270 11.8270 12.5602 12.5602 12.5810 12.5810 13.1564 13.1564 k =-0.5000 0.3094 0.4076 ( 4350 PWs) bands (ev): -13.2492 -13.2492 -13.1739 -13.1739 -11.0129 -11.0129 -10.1066 -10.1066 -9.0198 -9.0198 -8.9411 -8.9411 -2.7277 -2.7277 -2.6453 -2.6453 -2.2181 -2.2181 -1.4813 -1.4813 -0.0629 -0.0629 0.7026 0.7026 0.7925 0.7925 1.1522 1.1522 1.6521 1.6521 1.9634 1.9634 2.4161 2.4161 2.4539 2.4539 3.0379 3.0379 3.2490 3.2490 3.8019 3.8019 4.2406 4.2406 4.7778 4.7778 4.7887 4.7887 11.8151 11.8151 11.8909 11.8909 12.5332 12.5332 12.5675 12.5675 13.1191 13.1191 k =-0.5000 0.3094 0.3913 ( 4348 PWs) bands (ev): -13.2540 -13.2540 -13.1700 -13.1700 -11.0586 -11.0586 -10.0431 -10.0431 -9.0258 -9.0258 -8.9379 -8.9379 -2.7068 -2.7068 -2.6148 -2.6148 -2.2879 -2.2879 -1.4559 -1.4559 -0.1274 -0.1274 0.6741 0.6741 0.7790 0.7790 1.1707 1.1707 1.7046 1.7046 1.9990 1.9990 2.3958 2.3958 2.4424 2.4424 3.0097 3.0097 3.2511 3.2511 3.7814 3.7814 4.2667 4.2667 4.7856 4.7856 4.7954 4.7954 11.8659 11.8659 11.9622 11.9622 12.5036 12.5036 12.5541 12.5541 13.0856 13.0856 k =-0.5000 0.3094 0.3750 ( 4344 PWs) bands (ev): -13.2588 -13.2588 -13.1661 -13.1661 -11.1028 -11.1028 -9.9794 -9.9794 -9.0317 -9.0317 -8.9349 -8.9349 -2.6829 -2.6829 -2.5818 -2.5818 -2.3598 -2.3598 -1.4323 -1.4323 -0.1879 -0.1879 0.6420 0.6420 0.7630 0.7630 1.1761 1.1761 1.7699 1.7699 2.0345 2.0345 2.3738 2.3738 2.4307 2.4307 2.9811 2.9811 3.2529 3.2529 3.7618 3.7618 4.2916 4.2916 4.7945 4.7945 4.8025 4.8025 11.9188 11.9188 12.0404 12.0404 12.4721 12.4721 12.5413 12.5413 13.0570 13.0570 k =-0.5000 0.3094 0.3587 ( 4344 PWs) bands (ev): -13.2636 -13.2636 -13.1624 -13.1624 -11.1453 -11.1453 -9.9158 -9.9158 -9.0377 -9.0377 -8.9322 -8.9322 -2.6562 -2.6562 -2.5462 -2.5462 -2.4336 -2.4336 -1.4103 -1.4103 -0.2446 -0.2446 0.6064 0.6064 0.7445 0.7445 1.1723 1.1723 1.8437 1.8437 2.0698 2.0698 2.3503 2.3503 2.4193 2.4193 2.9526 2.9526 3.2546 3.2546 3.7430 3.7430 4.3150 4.3150 4.8046 4.8046 4.8099 4.8099 11.9724 11.9724 12.1251 12.1251 12.4394 12.4394 12.5292 12.5292 13.0347 13.0347 k =-0.5000 0.3094 0.3424 ( 4344 PWs) bands (ev): -13.2682 -13.2682 -13.1589 -13.1589 -11.1861 -11.1861 -9.8523 -9.8523 -9.0436 -9.0436 -8.9296 -8.9296 -2.6268 -2.6268 -2.5096 -2.5096 -2.5076 -2.5076 -1.3898 -1.3898 -0.2976 -0.2976 0.5672 0.5672 0.7233 0.7233 1.1627 1.1627 1.9223 1.9223 2.1046 2.1046 2.3256 2.3256 2.4084 2.4084 2.9247 2.9247 3.2562 3.2562 3.7249 3.7249 4.3371 4.3371 4.8156 4.8156 4.8177 4.8177 12.0248 12.0248 12.2157 12.2157 12.4058 12.4058 12.5181 12.5181 13.0199 13.0199 k =-0.5000 0.3094 0.3260 ( 4346 PWs) bands (ev): -13.2727 -13.2727 -13.1555 -13.1555 -11.2252 -11.2252 -9.7892 -9.7892 -9.0495 -9.0495 -8.9273 -8.9273 -2.5948 -2.5948 -2.5853 -2.5853 -2.4680 -2.4680 -1.3708 -1.3708 -0.3468 -0.3468 0.5245 0.5245 0.6992 0.6992 1.1495 1.1495 2.0030 2.0030 2.1390 2.1390 2.2999 2.2999 2.3983 2.3983 2.8976 2.8976 3.2577 3.2577 3.7073 3.7073 4.3576 4.3576 4.8249 4.8249 4.8285 4.8285 12.0741 12.0741 12.3116 12.3116 12.3719 12.3719 12.5082 12.5082 13.0143 13.0143 k =-0.5000 0.3094 0.3097 ( 4336 PWs) bands (ev): -13.2771 -13.2771 -13.1522 -13.1522 -11.2626 -11.2626 -9.7267 -9.7267 -9.0553 -9.0553 -8.9252 -8.9252 -2.6626 -2.6626 -2.5601 -2.5601 -2.4258 -2.4258 -1.3532 -1.3532 -0.3924 -0.3924 0.4783 0.4783 0.6723 0.6723 1.1344 1.1344 2.0839 2.0839 2.1728 2.1728 2.2738 2.2738 2.3892 2.3892 2.8717 2.8717 3.2592 3.2592 3.6903 3.6903 4.3767 4.3767 4.8329 4.8329 4.8419 4.8419 12.1182 12.1182 12.3379 12.3379 12.4126 12.4126 12.4997 12.4997 13.0195 13.0195 k =-0.5000 0.3094 0.2934 ( 4336 PWs) bands (ev): -13.2814 -13.2814 -13.1491 -13.1491 -11.2982 -11.2982 -9.6649 -9.6649 -9.0609 -9.0609 -8.9232 -8.9232 -2.7399 -2.7399 -2.5231 -2.5231 -2.3815 -2.3815 -1.3369 -1.3369 -0.4346 -0.4346 0.4289 0.4289 0.6424 0.6424 1.1183 1.1183 2.1634 2.1634 2.2062 2.2062 2.2477 2.2477 2.3814 2.3814 2.8470 2.8470 3.2605 3.2605 3.6738 3.6738 4.3943 4.3943 4.8408 4.8408 4.8564 4.8564 12.1555 12.1555 12.3046 12.3046 12.4926 12.4926 12.5178 12.5178 13.0365 13.0365 k =-0.5000 0.3094 0.2771 ( 4336 PWs) bands (ev): -13.2856 -13.2856 -13.1462 -13.1462 -11.3320 -11.3320 -9.6040 -9.6040 -9.0664 -9.0664 -8.9215 -8.9215 -2.8169 -2.8169 -2.4839 -2.4839 -2.3356 -2.3356 -1.3218 -1.3218 -0.4736 -0.4736 0.3765 0.3765 0.6095 0.6095 1.1018 1.1018 2.2214 2.2214 2.2330 2.2330 2.2473 2.2473 2.3748 2.3748 2.8237 2.8237 3.2617 3.2617 3.6578 3.6578 4.4105 4.4105 4.8487 4.8487 4.8719 4.8719 12.1848 12.1848 12.2720 12.2720 12.4877 12.4877 12.6260 12.6260 13.0660 13.0660 k =-0.5000 0.3094 0.2608 ( 4328 PWs) bands (ev): -13.2895 -13.2895 -13.1434 -13.1434 -11.3640 -11.3640 -9.5445 -9.5445 -9.0717 -9.0717 -8.9199 -8.9199 -2.8932 -2.8932 -2.4426 -2.4426 -2.2881 -2.2881 -1.3078 -1.3078 -0.5094 -0.5094 0.3213 0.3213 0.5738 0.5738 1.0853 1.0853 2.1963 2.1963 2.2674 2.2674 2.3192 2.3192 2.3696 2.3696 2.8019 2.8019 3.2628 3.2628 3.6423 3.6423 4.4252 4.4252 4.8565 4.8565 4.8882 4.8882 12.2057 12.2057 12.2405 12.2405 12.4845 12.4845 12.7367 12.7367 13.1076 13.1076 k =-0.5000 0.3094 0.2445 ( 4326 PWs) bands (ev): -13.2933 -13.2933 -13.1408 -13.1408 -11.3941 -11.3941 -9.4863 -9.4863 -9.0769 -9.0769 -8.9185 -8.9185 -2.9682 -2.9682 -2.3995 -2.3995 -2.2394 -2.2394 -1.2950 -1.2950 -0.5422 -0.5422 0.2638 0.2638 0.5354 0.5354 1.0691 1.0691 2.1721 2.1721 2.2976 2.2976 2.3657 2.3657 2.3913 2.3913 2.7816 2.7816 3.2637 3.2637 3.6274 3.6274 4.4384 4.4384 4.8642 4.8642 4.9052 4.9052 12.2086 12.2086 12.2207 12.2207 12.4833 12.4833 12.8489 12.8489 13.1599 13.1599 k =-0.5000 0.3094 0.2282 ( 4322 PWs) bands (ev): -13.2970 -13.2970 -13.1384 -13.1384 -11.4224 -11.4224 -9.4300 -9.4300 -9.0818 -9.0818 -8.9173 -8.9173 -3.0414 -3.0414 -2.3548 -2.3548 -2.1896 -2.1896 -1.2832 -1.2832 -0.5723 -0.5723 0.2043 0.2043 0.4946 0.4946 1.0535 1.0535 2.1492 2.1492 2.3262 2.3262 2.3632 2.3632 2.4601 2.4601 2.7627 2.7627 3.2645 3.2645 3.6130 3.6130 4.4504 4.4504 4.8716 4.8716 4.9228 4.9228 12.1805 12.1805 12.2270 12.2270 12.4843 12.4843 12.9611 12.9611 13.2210 13.2210 k =-0.5000 0.3094 0.2119 ( 4318 PWs) bands (ev): -13.3004 -13.3004 -13.1361 -13.1361 -11.4489 -11.4489 -9.3756 -9.3756 -9.0865 -9.0865 -8.9162 -8.9162 -3.1124 -3.1124 -2.3087 -2.3087 -2.1392 -2.1392 -1.2725 -1.2725 -0.5996 -0.5996 0.1433 0.1433 0.4515 0.4515 1.0386 1.0386 2.1278 2.1278 2.3532 2.3532 2.3622 2.3622 2.5251 2.5251 2.7453 2.7453 3.2651 3.2651 3.5992 3.5992 4.4610 4.4610 4.8789 4.8789 4.9407 4.9407 12.1531 12.1531 12.2291 12.2291 12.4874 12.4874 13.0718 13.0718 13.2880 13.2880 k =-0.5000 0.3094 0.1956 ( 4318 PWs) bands (ev): -13.3036 -13.3036 -13.1340 -13.1340 -11.4734 -11.4734 -9.3235 -9.3235 -9.0909 -9.0909 -8.9152 -8.9152 -3.1807 -3.1807 -2.2617 -2.2617 -2.0886 -2.0886 -1.2627 -1.2627 -0.6245 -0.6245 0.0814 0.0814 0.4068 0.4068 1.0245 1.0245 2.1081 2.1081 2.3614 2.3614 2.3795 2.3795 2.5859 2.5859 2.7293 2.7293 3.2655 3.2655 3.5862 3.5862 4.4705 4.4705 4.8858 4.8858 4.9588 4.9588 12.1274 12.1274 12.2277 12.2277 12.4929 12.4929 13.1788 13.1788 13.2701 13.2701 k =-0.5000 0.3094 0.1793 ( 4314 PWs) bands (ev): -13.3067 -13.3067 -13.1321 -13.1321 -11.4960 -11.4960 -9.2740 -9.2740 -9.0951 -9.0951 -8.9143 -8.9143 -3.2457 -3.2457 -2.2140 -2.2140 -2.0380 -2.0380 -1.2538 -1.2538 -0.6469 -0.6469 0.0191 0.0191 0.3608 0.3608 1.0114 1.0114 2.0903 2.0903 2.3622 2.3622 2.4035 2.4035 2.6422 2.6422 2.7147 2.7147 3.2657 3.2657 3.5738 3.5738 4.4787 4.4787 4.8924 4.8924 4.9769 4.9769 12.1034 12.1034 12.2239 12.2239 12.5006 12.5006 13.2470 13.2470 13.2795 13.2795 k =-0.5000 0.3094 0.1630 ( 4316 PWs) bands (ev): -13.3094 -13.3094 -13.1303 -13.1303 -11.5167 -11.5167 -9.2275 -9.2275 -9.0989 -9.0989 -8.9136 -8.9136 -3.3070 -3.3070 -2.1661 -2.1661 -1.9880 -1.9880 -1.2458 -1.2458 -0.6670 -0.6670 -0.0428 -0.0428 0.3142 0.3142 0.9992 0.9992 2.0743 2.0743 2.3637 2.3637 2.4259 2.4259 2.6936 2.6936 2.7018 2.7018 3.2658 3.2658 3.5623 3.5623 4.4860 4.4860 4.8985 4.8985 4.9946 4.9946 12.0814 12.0814 12.2186 12.2186 12.5107 12.5107 13.2245 13.2245 13.3703 13.3703 k =-0.5000 0.3094 0.1467 ( 4310 PWs) bands (ev): -13.3120 -13.3120 -13.1287 -13.1287 -11.5355 -11.5355 -9.1841 -9.1841 -9.1025 -9.1025 -8.9130 -8.9130 -3.3641 -3.3641 -2.1186 -2.1186 -1.9392 -1.9392 -1.2387 -1.2387 -0.6849 -0.6849 -0.1037 -0.1037 0.2678 0.2678 0.9881 0.9881 2.0602 2.0602 2.3657 2.3657 2.4465 2.4465 2.6894 2.6894 2.7411 2.7411 3.2657 3.2657 3.5516 3.5516 4.4922 4.4922 4.9043 4.9043 5.0118 5.0118 12.0612 12.0612 12.2127 12.2127 12.5229 12.5229 13.2025 13.2025 13.4479 13.4479 k =-0.5000 0.3094 0.1304 ( 4314 PWs) bands (ev): -13.3143 -13.3143 -13.1273 -13.1273 -11.5523 -11.5523 -9.1443 -9.1443 -9.1057 -9.1057 -8.9124 -8.9124 -3.4166 -3.4166 -2.0721 -2.0721 -1.8922 -1.8922 -1.2324 -1.2324 -0.7008 -0.7008 -0.1627 -0.1627 0.2222 0.2222 0.9780 0.9780 2.0479 2.0479 2.3682 2.3682 2.4652 2.4652 2.6788 2.6788 2.7833 2.7833 3.2655 3.2655 3.5419 3.5419 4.4975 4.4975 4.9095 4.9095 5.0282 5.0282 12.0431 12.0431 12.2065 12.2065 12.5372 12.5372 13.1816 13.1816 13.4385 13.4385 k =-0.5000 0.3094 0.1141 ( 4314 PWs) bands (ev): -13.3163 -13.3163 -13.1261 -13.1261 -11.5671 -11.5671 -9.1092 -9.1092 -9.1076 -9.1076 -8.9120 -8.9120 -3.4640 -3.4640 -2.0274 -2.0274 -1.8476 -1.8476 -1.2269 -1.2269 -0.7145 -0.7145 -0.2190 -0.2190 0.1785 0.1785 0.9691 0.9691 2.0374 2.0374 2.3709 2.3709 2.4819 2.4819 2.6694 2.6694 2.8205 2.8205 3.2651 3.2651 3.5332 3.5332 4.5020 4.5020 4.9142 4.9142 5.0434 5.0434 12.0271 12.0271 12.2005 12.2005 12.5532 12.5532 13.1622 13.1622 13.3802 13.3802 k =-0.5000 0.3094 0.0978 ( 4310 PWs) bands (ev): -13.3181 -13.3181 -13.1250 -13.1250 -11.5800 -11.5800 -9.1111 -9.1111 -9.0764 -9.0764 -8.9116 -8.9116 -3.5060 -3.5060 -1.9853 -1.9853 -1.8063 -1.8063 -1.2222 -1.2222 -0.7264 -0.7264 -0.2714 -0.2714 0.1375 0.1375 0.9613 0.9613 2.0285 2.0285 2.3736 2.3736 2.4965 2.4965 2.6613 2.6613 2.8529 2.8529 3.2648 3.2648 3.5255 3.5255 4.5057 4.5057 4.9183 4.9183 5.0572 5.0572 12.0131 12.0131 12.1950 12.1950 12.5707 12.5707 13.1446 13.1446 13.3251 13.3251 k =-0.5000 0.3094 0.0815 ( 4314 PWs) bands (ev): -13.3197 -13.3197 -13.1241 -13.1241 -11.5909 -11.5909 -9.1132 -9.1132 -9.0490 -9.0490 -8.9113 -8.9113 -3.5422 -3.5422 -1.9467 -1.9467 -1.7692 -1.7692 -1.2183 -1.2183 -0.7363 -0.7363 -0.3189 -0.3189 0.1003 0.1003 0.9547 0.9547 2.0212 2.0212 2.3762 2.3762 2.5090 2.5090 2.6544 2.6544 2.8802 2.8802 3.2644 3.2644 3.5189 3.5189 4.5087 4.5087 4.9219 4.9219 5.0694 5.0694 12.0012 12.0012 12.1901 12.1901 12.5889 12.5889 13.1291 13.1291 13.2743 13.2743 k =-0.5000 0.3094 0.0652 ( 4306 PWs) bands (ev): -13.3209 -13.3209 -13.1233 -13.1233 -11.5999 -11.5999 -9.1150 -9.1150 -9.0261 -9.0261 -8.9110 -8.9110 -3.5723 -3.5723 -1.9129 -1.9129 -1.7372 -1.7372 -1.2150 -1.2150 -0.7443 -0.7443 -0.3602 -0.3602 0.0680 0.0680 0.9493 0.9493 2.0154 2.0154 2.3786 2.3786 2.5193 2.5193 2.6488 2.6488 2.9026 2.9026 3.2640 3.2640 3.5134 3.5134 4.5111 4.5111 4.9249 4.9249 5.0798 5.0798 11.9915 11.9915 12.1860 12.1860 12.6071 12.6071 13.1159 13.1159 13.2291 13.2291 k =-0.5000 0.3094 0.0489 ( 4314 PWs) bands (ev): -13.3219 -13.3219 -13.1227 -13.1227 -11.6068 -11.6068 -9.1164 -9.1164 -9.0081 -9.0081 -8.9108 -8.9108 -3.5960 -3.5960 -1.8849 -1.8849 -1.7110 -1.7110 -1.2126 -1.2126 -0.7505 -0.7505 -0.3941 -0.3941 0.0415 0.0415 0.9451 0.9451 2.0109 2.0109 2.3805 2.3805 2.5274 2.5274 2.6445 2.6445 2.9200 2.9200 3.2637 3.2637 3.5091 3.5091 4.5129 4.5129 4.9272 4.9272 5.0880 5.0880 11.9839 11.9839 12.1827 12.1827 12.6239 12.6239 13.1054 13.1054 13.1911 13.1911 k =-0.5000 0.3094 0.0326 ( 4312 PWs) bands (ev): -13.3226 -13.3226 -13.1223 -13.1223 -11.6118 -11.6118 -9.1174 -9.1174 -8.9951 -8.9951 -8.9107 -8.9107 -3.6131 -3.6131 -1.8640 -1.8640 -1.6917 -1.6917 -1.2108 -1.2108 -0.7549 -0.7549 -0.4193 -0.4193 0.0218 0.0218 0.9420 0.9420 2.0078 2.0078 2.3820 2.3820 2.5332 2.5332 2.6413 2.6413 2.9324 2.9324 3.2634 3.2634 3.5061 3.5061 4.5142 4.5142 4.9288 4.9288 5.0940 5.0940 11.9785 11.9785 12.1803 12.1803 12.6378 12.6378 13.0975 13.0975 13.1620 13.1620 k =-0.5000 0.3094 0.0163 ( 4314 PWs) bands (ev): -13.3230 -13.3230 -13.1221 -13.1221 -11.6148 -11.6148 -9.1180 -9.1180 -8.9873 -8.9873 -8.9106 -8.9106 -3.6234 -3.6234 -1.8509 -1.8509 -1.6798 -1.6798 -1.2097 -1.2097 -0.7576 -0.7576 -0.4349 -0.4349 0.0097 0.0097 0.9402 0.9402 2.0060 2.0060 2.3829 2.3829 2.5367 2.5367 2.6395 2.6395 2.9399 2.9399 3.2632 3.2632 3.5042 3.5042 4.5150 4.5150 4.9298 4.9298 5.0977 5.0977 11.9752 11.9752 12.1789 12.1789 12.6471 12.6471 13.0925 13.0925 13.1437 13.1437 k =-0.5000 0.3094 0.0000 ( 4318 PWs) bands (ev): -13.3232 -13.3232 -13.1220 -13.1220 -11.6158 -11.6158 -9.1182 -9.1182 -8.9847 -8.9847 -8.9106 -8.9106 -3.6269 -3.6269 -1.8465 -1.8465 -1.6757 -1.6757 -1.2094 -1.2094 -0.7585 -0.7585 -0.4402 -0.4402 0.0056 0.0056 0.9396 0.9396 2.0054 2.0054 2.3833 2.3833 2.5379 2.5379 2.6388 2.6388 2.9424 2.9424 3.2632 3.2632 3.5036 3.5036 4.5152 4.5152 4.9302 4.9302 5.0989 5.0989 11.9742 11.9742 12.1784 12.1784 12.6504 12.6504 13.0908 13.0908 13.1374 13.1374 k = 0.0000 0.0000 0.5380 ( 4348 PWs) bands (ev): -13.3679 -13.3679 -13.3679 -13.3679 -10.1568 -10.1568 -10.1568 -10.1568 -8.9779 -8.9779 -8.9779 -8.9779 -4.0455 -4.0455 -4.0455 -4.0455 -0.5125 -0.5125 -0.5125 -0.5125 -0.1938 -0.1938 -0.1938 -0.1938 0.7297 0.7297 0.7297 0.7297 1.8318 1.8318 1.8318 1.8318 2.6509 2.6509 2.6509 2.6509 3.6365 3.6365 3.6365 3.6365 3.9976 3.9976 3.9976 3.9976 5.2581 5.2581 5.2581 5.2581 11.3750 11.3750 11.3750 11.3750 12.0653 12.0653 12.0653 12.0653 12.8386 12.8386 k =-0.0139 0.0086 0.5380 ( 4348 PWs) bands (ev): -13.3676 -13.3676 -13.3676 -13.3676 -10.1577 -10.1577 -10.1577 -10.1577 -8.9779 -8.9779 -8.9777 -8.9777 -4.0440 -4.0440 -4.0437 -4.0437 -0.5163 -0.5163 -0.5159 -0.5159 -0.1909 -0.1909 -0.1904 -0.1904 0.7307 0.7307 0.7309 0.7309 1.8297 1.8297 1.8299 1.8299 2.6522 2.6522 2.6525 2.6525 3.6358 3.6358 3.6360 3.6360 3.9960 3.9960 3.9962 3.9962 5.2579 5.2579 5.2580 5.2580 11.3746 11.3746 11.3749 11.3749 12.0673 12.0673 12.0680 12.0680 12.8390 12.8390 k =-0.0278 0.0172 0.5380 ( 4348 PWs) bands (ev): -13.3668 -13.3668 -13.3668 -13.3668 -10.1604 -10.1604 -10.1603 -10.1603 -8.9778 -8.9778 -8.9775 -8.9775 -4.0391 -4.0391 -4.0386 -4.0386 -0.5270 -0.5270 -0.5261 -0.5261 -0.1822 -0.1822 -0.1811 -0.1811 0.7341 0.7341 0.7344 0.7344 1.8236 1.8236 1.8240 1.8240 2.6562 2.6562 2.6567 2.6567 3.6339 3.6339 3.6343 3.6343 3.9915 3.9915 3.9918 3.9918 5.2573 5.2573 5.2574 5.2574 11.3739 11.3739 11.3745 11.3745 12.0740 12.0740 12.0753 12.0753 12.8401 12.8401 k =-0.0417 0.0258 0.5380 ( 4344 PWs) bands (ev): -13.3655 -13.3655 -13.3654 -13.3654 -10.1649 -10.1649 -10.1647 -10.1647 -8.9775 -8.9775 -8.9771 -8.9771 -4.0310 -4.0310 -4.0302 -4.0302 -0.5435 -0.5435 -0.5424 -0.5424 -0.1683 -0.1683 -0.1669 -0.1669 0.7398 0.7398 0.7402 0.7402 1.8136 1.8136 1.8143 1.8143 2.6628 2.6628 2.6635 2.6635 3.6307 3.6307 3.6313 3.6313 3.9841 3.9841 3.9845 3.9845 5.2561 5.2561 5.2563 5.2563 11.3729 11.3729 11.3738 11.3738 12.0851 12.0851 12.0871 12.0871 12.8420 12.8420 k =-0.0556 0.0344 0.5380 ( 4332 PWs) bands (ev): -13.3636 -13.3636 -13.3635 -13.3635 -10.1710 -10.1710 -10.1708 -10.1708 -8.9772 -8.9772 -8.9766 -8.9766 -4.0195 -4.0195 -4.0185 -4.0185 -0.5649 -0.5649 -0.5635 -0.5635 -0.1506 -0.1506 -0.1489 -0.1489 0.7477 0.7477 0.7483 0.7483 1.8000 1.8000 1.8008 1.8008 2.6717 2.6717 2.6726 2.6726 3.6263 3.6263 3.6271 3.6271 3.9741 3.9741 3.9747 3.9747 5.2544 5.2544 5.2546 5.2546 11.3719 11.3719 11.3730 11.3730 12.1004 12.1004 12.1031 12.1031 12.8447 12.8447 k =-0.0694 0.0430 0.5380 ( 4330 PWs) bands (ev): -13.3612 -13.3612 -13.3611 -13.3611 -10.1787 -10.1787 -10.1785 -10.1785 -8.9767 -8.9767 -8.9761 -8.9761 -4.0049 -4.0049 -4.0036 -4.0036 -0.5900 -0.5900 -0.5885 -0.5885 -0.1299 -0.1299 -0.1280 -0.1280 0.7578 0.7578 0.7585 0.7585 1.7829 1.7829 1.7840 1.7840 2.6825 2.6825 2.6837 2.6837 3.6206 3.6206 3.6217 3.6217 3.9618 3.9618 3.9626 3.9626 5.2519 5.2519 5.2522 5.2522 11.3711 11.3711 11.3724 11.3724 12.1195 12.1195 12.1228 12.1228 12.8482 12.8482 k =-0.0833 0.0516 0.5380 ( 4338 PWs) bands (ev): -13.3583 -13.3583 -13.3582 -13.3582 -10.1881 -10.1881 -10.1878 -10.1878 -8.9762 -8.9762 -8.9755 -8.9755 -3.9870 -3.9870 -3.9855 -3.9855 -0.6182 -0.6182 -0.6166 -0.6166 -0.1071 -0.1071 -0.1049 -0.1049 0.7700 0.7700 0.7708 0.7708 1.7627 1.7627 1.7640 1.7640 2.6950 2.6950 2.6963 2.6963 3.6138 3.6138 3.6150 3.6150 3.9476 3.9476 3.9485 3.9485 5.2486 5.2486 5.2488 5.2488 11.3707 11.3707 11.3722 11.3722 12.1421 12.1421 12.1461 12.1461 12.8523 12.8523 k =-0.0972 0.0602 0.5380 ( 4334 PWs) bands (ev): -13.3549 -13.3549 -13.3547 -13.3547 -10.1989 -10.1989 -10.1986 -10.1986 -8.9757 -8.9757 -8.9748 -8.9748 -3.9660 -3.9660 -3.9643 -3.9643 -0.6488 -0.6488 -0.6471 -0.6471 -0.0826 -0.0826 -0.0803 -0.0803 0.7843 0.7843 0.7852 0.7852 1.7397 1.7397 1.7412 1.7412 2.7085 2.7085 2.7101 2.7101 3.6057 3.6057 3.6071 3.6071 3.9319 3.9319 3.9330 3.9330 5.2441 5.2441 5.2444 5.2444 11.3710 11.3710 11.3726 11.3726 12.1677 12.1677 12.1723 12.1723 12.8572 12.8572 k =-0.1111 0.0688 0.5380 ( 4338 PWs) bands (ev): -13.3510 -13.3510 -13.3508 -13.3508 -10.2111 -10.2111 -10.2107 -10.2107 -8.9751 -8.9751 -8.9741 -8.9741 -3.9420 -3.9420 -3.9401 -3.9401 -0.6814 -0.6814 -0.6797 -0.6797 -0.0570 -0.0570 -0.0546 -0.0546 0.8006 0.8006 0.8016 0.8016 1.7142 1.7142 1.7158 1.7158 2.7228 2.7228 2.7246 2.7246 3.5964 3.5964 3.5981 3.5981 3.9153 3.9153 3.9165 3.9165 5.2385 5.2385 5.2387 5.2387 11.3721 11.3721 11.3738 11.3738 12.1960 12.1960 12.2011 12.2011 12.8627 12.8627 k =-0.1250 0.0773 0.5380 ( 4338 PWs) bands (ev): -13.3467 -13.3467 -13.3465 -13.3465 -10.2245 -10.2245 -10.2242 -10.2242 -8.9744 -8.9744 -8.9734 -8.9734 -3.9150 -3.9150 -3.9128 -3.9128 -0.7158 -0.7158 -0.7141 -0.7141 -0.0304 -0.0304 -0.0279 -0.0279 0.8187 0.8187 0.8199 0.8199 1.6864 1.6864 1.6882 1.6882 2.7374 2.7374 2.7393 2.7393 3.5859 3.5859 3.5878 3.5878 3.8981 3.8981 3.8995 3.8995 5.2315 5.2315 5.2317 5.2317 11.3741 11.3741 11.3760 11.3760 12.2263 12.2263 12.2320 12.2320 12.8690 12.8690 k =-0.1389 0.0859 0.5380 ( 4336 PWs) bands (ev): -13.3420 -13.3420 -13.3417 -13.3417 -10.2391 -10.2391 -10.2388 -10.2388 -8.9738 -8.9738 -8.9727 -8.9727 -3.8851 -3.8851 -3.8828 -3.8828 -0.7517 -0.7517 -0.7500 -0.7500 -0.0031 -0.0031 -0.0006 -0.0006 0.8387 0.8387 0.8400 0.8400 1.6567 1.6567 1.6586 1.6586 2.7517 2.7517 2.7538 2.7538 3.5743 3.5743 3.5764 3.5764 3.8810 3.8810 3.8825 3.8825 5.2230 5.2230 5.2232 5.2232 11.3774 11.3774 11.3793 11.3793 12.2583 12.2583 12.2646 12.2646 12.8761 12.8761 k =-0.1528 0.0945 0.5380 ( 4326 PWs) bands (ev): -13.3368 -13.3368 -13.3366 -13.3366 -10.2548 -10.2548 -10.2544 -10.2544 -8.9732 -8.9732 -8.9721 -8.9721 -3.8525 -3.8525 -3.8499 -3.8499 -0.7890 -0.7890 -0.7872 -0.7872 0.0247 0.0247 0.0273 0.0273 0.8604 0.8604 0.8618 0.8618 1.6253 1.6253 1.6274 1.6274 2.7654 2.7654 2.7676 2.7676 3.5616 3.5616 3.5639 3.5639 3.8644 3.8644 3.8661 3.8661 5.2129 5.2129 5.2131 5.2131 11.3818 11.3818 11.3837 11.3837 12.2915 12.2915 12.2984 12.2984 12.8841 12.8841 k =-0.1667 0.1031 0.5380 ( 4324 PWs) bands (ev): -13.3313 -13.3313 -13.3311 -13.3311 -10.2713 -10.2713 -10.2709 -10.2709 -8.9727 -8.9727 -8.9715 -8.9715 -3.8171 -3.8171 -3.8144 -3.8144 -0.8275 -0.8275 -0.8257 -0.8257 0.0529 0.0529 0.0555 0.0555 0.8838 0.8838 0.8852 0.8852 1.5926 1.5926 1.5947 1.5947 2.7779 2.7779 2.7803 2.7803 3.5478 3.5478 3.5503 3.5503 3.8489 3.8489 3.8507 3.8507 5.2011 5.2011 5.2013 5.2013 11.3874 11.3874 11.3894 11.3894 12.3254 12.3254 12.3328 12.3328 12.8931 12.8931 k =-0.1806 0.1117 0.5380 ( 4330 PWs) bands (ev): -13.3255 -13.3255 -13.3252 -13.3252 -10.2886 -10.2886 -10.2881 -10.2881 -8.9722 -8.9722 -8.9710 -8.9710 -3.7793 -3.7793 -3.7764 -3.7764 -0.8672 -0.8672 -0.8654 -0.8654 0.0813 0.0813 0.0839 0.0839 0.9085 0.9085 0.9101 0.9101 1.5587 1.5587 1.5610 1.5610 2.7888 2.7888 2.7914 2.7914 3.5330 3.5330 3.5357 3.5357 3.8350 3.8350 3.8368 3.8368 5.1876 5.1876 5.1879 5.1879 11.3942 11.3942 11.3962 11.3962 12.3594 12.3594 12.3674 12.3674 12.9035 12.9035 k =-0.1944 0.1203 0.5380 ( 4338 PWs) bands (ev): -13.3194 -13.3194 -13.3191 -13.3191 -10.3065 -10.3065 -10.3060 -10.3060 -8.9718 -8.9718 -8.9705 -8.9705 -3.7390 -3.7390 -3.7360 -3.7360 -0.9080 -0.9080 -0.9061 -0.9061 0.1099 0.1099 0.1125 0.1125 0.9347 0.9347 0.9364 0.9364 1.5241 1.5241 1.5266 1.5266 2.7977 2.7977 2.8004 2.8004 3.5172 3.5172 3.5202 3.5202 3.8230 3.8230 3.8249 3.8249 5.1724 5.1724 5.1728 5.1728 11.4021 11.4021 11.4042 11.4042 12.3930 12.3930 12.4015 12.4015 12.9155 12.9155 k =-0.2083 0.1289 0.5380 ( 4332 PWs) bands (ev): -13.3130 -13.3130 -13.3127 -13.3127 -10.3248 -10.3248 -10.3244 -10.3244 -8.9714 -8.9714 -8.9701 -8.9701 -3.6965 -3.6965 -3.6933 -3.6933 -0.9498 -0.9498 -0.9478 -0.9478 0.1385 0.1385 0.1411 0.1411 0.9619 0.9619 0.9637 0.9637 1.4891 1.4891 1.4917 1.4917 2.8043 2.8043 2.8071 2.8071 3.5007 3.5007 3.5039 3.5039 3.8134 3.8134 3.8153 3.8153 5.1556 5.1556 5.1562 5.1562 11.4112 11.4112 11.4133 11.4133 12.4256 12.4256 12.4346 12.4346 12.9296 12.9296 k =-0.2222 0.1375 0.5380 ( 4328 PWs) bands (ev): -13.3065 -13.3065 -13.3062 -13.3062 -10.3436 -10.3436 -10.3431 -10.3431 -8.9712 -8.9712 -8.9699 -8.9699 -3.6518 -3.6518 -3.6485 -3.6485 -0.9925 -0.9925 -0.9905 -0.9905 0.1670 0.1670 0.1696 0.1696 0.9898 0.9898 0.9919 0.9919 1.4542 1.4542 1.4571 1.4571 2.8081 2.8081 2.8111 2.8111 3.4834 3.4834 3.4868 3.4868 3.8065 3.8065 3.8084 3.8084 5.1373 5.1373 5.1379 5.1379 11.4212 11.4212 11.4233 11.4233 12.4565 12.4565 12.4661 12.4661 12.9462 12.9462 k =-0.2361 0.1461 0.5380 ( 4324 PWs) bands (ev): -13.2998 -13.2998 -13.2994 -13.2994 -10.3625 -10.3625 -10.3620 -10.3620 -8.9710 -8.9710 -8.9697 -8.9697 -3.6052 -3.6052 -3.6019 -3.6019 -1.0361 -1.0361 -1.0341 -1.0341 0.1953 0.1953 0.1979 0.1979 1.0180 1.0180 1.0202 1.0202 1.4201 1.4201 1.4232 1.4232 2.8091 2.8091 2.8122 2.8122 3.4655 3.4655 3.4690 3.4690 3.8025 3.8025 3.8044 3.8044 5.1175 5.1175 5.1182 5.1182 11.4320 11.4320 11.4341 11.4341 12.4853 12.4853 12.4952 12.4952 12.9657 12.9657 k =-0.2500 0.1547 0.5380 ( 4320 PWs) bands (ev): -13.2929 -13.2929 -13.2926 -13.2926 -10.3814 -10.3814 -10.3810 -10.3810 -8.9709 -8.9709 -8.9697 -8.9697 -3.5569 -3.5569 -3.5534 -3.5534 -1.0805 -1.0805 -1.0785 -1.0785 0.2233 0.2233 0.2259 0.2259 1.0456 1.0456 1.0480 1.0480 1.3879 1.3879 1.3911 1.3911 2.8069 2.8069 2.8101 2.8101 3.4469 3.4469 3.4506 3.4506 3.8016 3.8016 3.8035 3.8035 5.0963 5.0963 5.0972 5.0972 11.4435 11.4435 11.4456 11.4456 12.5113 12.5113 12.5216 12.5216 12.9885 12.9885 k =-0.2639 0.1633 0.5380 ( 4320 PWs) bands (ev): -13.2860 -13.2860 -13.2857 -13.2857 -10.4003 -10.4003 -10.3999 -10.3999 -8.9709 -8.9709 -8.9697 -8.9697 -3.5070 -3.5070 -3.5034 -3.5034 -1.1257 -1.1257 -1.1236 -1.1236 0.2509 0.2509 0.2535 0.2535 1.0709 1.0709 1.0737 1.0737 1.3590 1.3590 1.3625 1.3625 2.8016 2.8016 2.8048 2.8048 3.4280 3.4280 3.4318 3.4318 3.8037 3.8037 3.8056 3.8056 5.0740 5.0740 5.0750 5.0750 11.4555 11.4555 11.4576 11.4576 12.5343 12.5343 12.5448 12.5448 13.0148 13.0148 k =-0.2778 0.1719 0.5380 ( 4328 PWs) bands (ev): -13.2791 -13.2791 -13.2788 -13.2788 -10.4190 -10.4190 -10.4186 -10.4186 -8.9710 -8.9710 -8.9698 -8.9698 -3.4557 -3.4557 -3.4521 -3.4521 -1.1716 -1.1716 -1.1694 -1.1694 0.2779 0.2779 0.2805 0.2805 1.0915 1.0915 1.0946 1.0946 1.3364 1.3364 1.3400 1.3400 2.7932 2.7932 2.7964 2.7964 3.4088 3.4088 3.4126 3.4126 3.8088 3.8088 3.8107 3.8107 5.0507 5.0507 5.0518 5.0518 11.4679 11.4679 11.4700 11.4700 12.5541 12.5541 12.5647 12.5647 13.0446 13.0446 k =-0.2917 0.1805 0.5380 ( 4332 PWs) bands (ev): -13.2723 -13.2723 -13.2720 -13.2720 -10.4373 -10.4373 -10.4369 -10.4369 -8.9711 -8.9711 -8.9700 -8.9700 -3.4032 -3.4032 -3.3996 -3.3996 -1.2180 -1.2180 -1.2158 -1.2158 0.3045 0.3045 0.3070 0.3070 1.1034 1.1034 1.1066 1.1066 1.3241 1.3241 1.3277 1.3277 2.7817 2.7817 2.7849 2.7849 3.3894 3.3894 3.3933 3.3933 3.8167 3.8167 3.8186 3.8186 5.0267 5.0267 5.0279 5.0279 11.4805 11.4805 11.4827 11.4827 12.5708 12.5708 12.5814 12.5814 13.0775 13.0775 k =-0.3056 0.1891 0.5380 ( 4328 PWs) bands (ev): -13.2655 -13.2655 -13.2652 -13.2652 -10.4551 -10.4551 -10.4547 -10.4547 -8.9714 -8.9714 -8.9702 -8.9702 -3.3500 -3.3500 -3.3463 -3.3463 -1.2649 -1.2649 -1.2627 -1.2627 0.3303 0.3303 0.3329 0.3329 1.1031 1.1031 1.1062 1.1062 1.3258 1.3258 1.3291 1.3291 2.7674 2.7674 2.7706 2.7706 3.3700 3.3700 3.3739 3.3739 3.8272 3.8272 3.8290 3.8290 5.0020 5.0020 5.0033 5.0033 11.4932 11.4932 11.4954 11.4954 12.5847 12.5847 12.5951 12.5951 13.1132 13.1132 k =-0.3194 0.1977 0.5380 ( 4320 PWs) bands (ev): -13.2589 -13.2589 -13.2586 -13.2586 -10.4724 -10.4724 -10.4720 -10.4720 -8.9716 -8.9716 -8.9706 -8.9706 -3.2961 -3.2961 -3.2924 -3.2924 -1.3121 -1.3121 -1.3099 -1.3099 0.3555 0.3555 0.3580 0.3580 1.0907 1.0907 1.0936 1.0936 1.3414 1.3414 1.3441 1.3441 2.7504 2.7504 2.7536 2.7536 3.3508 3.3508 3.3546 3.3546 3.8398 3.8398 3.8415 3.8415 4.9770 4.9770 4.9784 4.9784 11.5059 11.5059 11.5080 11.5080 12.5960 12.5960 12.6062 12.6062 13.1510 13.1510 k =-0.3333 0.2063 0.5380 ( 4316 PWs) bands (ev): -13.2525 -13.2525 -13.2522 -13.2522 -10.4888 -10.4888 -10.4885 -10.4885 -8.9719 -8.9719 -8.9709 -8.9709 -3.2419 -3.2419 -3.2383 -3.2383 -1.3594 -1.3594 -1.3572 -1.3572 0.3799 0.3799 0.3824 0.3824 1.0697 1.0697 1.0724 1.0724 1.3669 1.3669 1.3692 1.3692 2.7312 2.7312 2.7342 2.7342 3.3320 3.3320 3.3357 3.3357 3.8542 3.8542 3.8559 3.8559 4.9520 4.9520 4.9534 4.9534 11.5182 11.5182 11.5203 11.5203 12.6052 12.6052 12.6151 12.6151 13.1900 13.1900 k =-0.3472 0.2149 0.5380 ( 4320 PWs) bands (ev): -13.2464 -13.2464 -13.2461 -13.2461 -10.5045 -10.5045 -10.5041 -10.5041 -8.9723 -8.9723 -8.9713 -8.9713 -3.1878 -3.1878 -3.1843 -3.1843 -1.4066 -1.4066 -1.4044 -1.4044 0.4035 0.4035 0.4060 0.4060 1.0440 1.0440 1.0466 1.0466 1.3984 1.3984 1.4004 1.4004 2.7099 2.7099 2.7128 2.7128 3.3139 3.3139 3.3174 3.3174 3.8700 3.8700 3.8717 3.8717 4.9271 4.9271 4.9285 4.9285 11.5302 11.5302 11.5323 11.5323 12.6128 12.6128 12.6222 12.6222 13.2294 13.2294 k =-0.3611 0.2234 0.5380 ( 4324 PWs) bands (ev): -13.2406 -13.2406 -13.2403 -13.2403 -10.5192 -10.5192 -10.5188 -10.5188 -8.9726 -8.9726 -8.9718 -8.9718 -3.1343 -3.1343 -3.1308 -3.1308 -1.4535 -1.4535 -1.4513 -1.4513 0.4262 0.4262 0.4287 0.4287 1.0161 1.0161 1.0187 1.0187 1.4333 1.4333 1.4350 1.4350 2.6870 2.6870 2.6897 2.6897 3.2965 3.2965 3.2998 3.2998 3.8867 3.8867 3.8883 3.8883 4.9026 4.9026 4.9041 4.9041 11.5417 11.5417 11.5437 11.5437 12.6190 12.6190 12.6278 12.6278 13.2683 13.2683 k =-0.3750 0.2320 0.5380 ( 4326 PWs) bands (ev): -13.2351 -13.2351 -13.2349 -13.2349 -10.5328 -10.5328 -10.5325 -10.5325 -8.9730 -8.9730 -8.9722 -8.9722 -3.0817 -3.0817 -3.0783 -3.0783 -1.4995 -1.4995 -1.4973 -1.4973 0.4481 0.4481 0.4505 0.4505 0.9877 0.9877 0.9902 0.9902 1.4697 1.4697 1.4713 1.4713 2.6628 2.6628 2.6654 2.6654 3.2802 3.2802 3.2833 3.2833 3.9039 3.9039 3.9055 3.9055 4.8789 4.8789 4.8803 4.8803 11.5526 11.5526 11.5544 11.5544 12.6241 12.6241 12.6324 12.6324 13.3056 13.3056 k =-0.3889 0.2406 0.5380 ( 4338 PWs) bands (ev): -13.2301 -13.2301 -13.2299 -13.2299 -10.5452 -10.5452 -10.5450 -10.5450 -8.9734 -8.9734 -8.9727 -8.9727 -3.0307 -3.0307 -3.0275 -3.0275 -1.5444 -1.5444 -1.5422 -1.5422 0.4690 0.4690 0.4714 0.4714 0.9596 0.9596 0.9621 0.9621 1.5065 1.5065 1.5080 1.5080 2.6379 2.6379 2.6404 2.6404 3.2650 3.2650 3.2679 3.2679 3.9211 3.9211 3.9226 3.9226 4.8562 4.8562 4.8576 4.8576 11.5626 11.5626 11.5644 11.5644 12.6285 12.6285 12.6361 12.6361 13.3404 13.3404 k =-0.4028 0.2492 0.5380 ( 4342 PWs) bands (ev): -13.2256 -13.2256 -13.2254 -13.2254 -10.5564 -10.5564 -10.5562 -10.5562 -8.9737 -8.9737 -8.9731 -8.9731 -2.9819 -2.9819 -2.9789 -2.9789 -1.5874 -1.5874 -1.5853 -1.5853 0.4888 0.4888 0.4912 0.4912 0.9326 0.9326 0.9350 0.9350 1.5426 1.5426 1.5440 1.5440 2.6129 2.6129 2.6151 2.6151 3.2513 3.2513 3.2538 3.2538 3.9379 3.9379 3.9393 3.9393 4.8350 4.8350 4.8363 4.8363 11.5718 11.5718 11.5734 11.5734 12.6323 12.6323 12.6391 12.6391 13.3717 13.3717 k =-0.4167 0.2578 0.5380 ( 4342 PWs) bands (ev): -13.2215 -13.2215 -13.2213 -13.2213 -10.5663 -10.5663 -10.5661 -10.5661 -8.9740 -8.9740 -8.9735 -8.9735 -2.9362 -2.9362 -2.9335 -2.9335 -1.6278 -1.6278 -1.6259 -1.6259 0.5075 0.5075 0.5097 0.5097 0.9073 0.9073 0.9095 0.9095 1.5770 1.5770 1.5783 1.5783 2.5885 2.5885 2.5904 2.5904 3.2391 3.2391 3.2413 3.2413 3.9538 3.9538 3.9550 3.9550 4.8155 4.8155 4.8167 4.8167 11.5800 11.5800 11.5814 11.5814 12.6355 12.6355 12.6416 12.6416 13.3986 13.3986 k =-0.4306 0.2664 0.5380 ( 4350 PWs) bands (ev): -13.2180 -13.2180 -13.2179 -13.2179 -10.5748 -10.5748 -10.5746 -10.5746 -8.9743 -8.9743 -8.9738 -8.9738 -2.8945 -2.8945 -2.8921 -2.8921 -1.6648 -1.6648 -1.6631 -1.6631 0.5248 0.5248 0.5269 0.5269 0.8840 0.8840 0.8861 0.8861 1.6089 1.6089 1.6100 1.6100 2.5653 2.5653 2.5670 2.5670 3.2286 3.2286 3.2305 3.2305 3.9683 3.9683 3.9694 3.9694 4.7981 4.7981 4.7992 4.7992 11.5871 11.5871 11.5884 11.5884 12.6384 12.6384 12.6435 12.6435 13.4204 13.4204 k =-0.4444 0.2750 0.5380 ( 4352 PWs) bands (ev): -13.2151 -13.2151 -13.2150 -13.2150 -10.5818 -10.5818 -10.5817 -10.5817 -8.9745 -8.9745 -8.9742 -8.9742 -2.8579 -2.8579 -2.8558 -2.8558 -1.6974 -1.6974 -1.6959 -1.6959 0.5404 0.5404 0.5422 0.5422 0.8634 0.8634 0.8652 0.8652 1.6371 1.6371 1.6381 1.6381 2.5444 2.5444 2.5458 2.5458 3.2199 3.2199 3.2214 3.2214 3.9810 3.9810 3.9819 3.9819 4.7833 4.7833 4.7842 4.7842 11.5931 11.5931 11.5941 11.5941 12.6408 12.6408 12.6451 12.6451 13.4370 13.4370 k =-0.4583 0.2836 0.5380 ( 4356 PWs) bands (ev): -13.2128 -13.2128 -13.2127 -13.2127 -10.5873 -10.5873 -10.5872 -10.5872 -8.9747 -8.9747 -8.9744 -8.9744 -2.8275 -2.8275 -2.8259 -2.8259 -1.7245 -1.7245 -1.7233 -1.7233 0.5537 0.5537 0.5552 0.5552 0.8461 0.8461 0.8476 0.8476 1.6606 1.6606 1.6614 1.6614 2.5267 2.5267 2.5279 2.5279 3.2131 3.2131 3.2142 3.2142 3.9914 3.9914 3.9921 3.9921 4.7713 4.7713 4.7720 4.7720 11.5978 11.5978 11.5986 11.5986 12.6429 12.6429 12.6461 12.6461 13.4488 13.4488 k =-0.4722 0.2922 0.5380 ( 4360 PWs) bands (ev): -13.2111 -13.2111 -13.2111 -13.2111 -10.5913 -10.5913 -10.5912 -10.5912 -8.9748 -8.9748 -8.9746 -8.9746 -2.8046 -2.8046 -2.8035 -2.8035 -1.7448 -1.7448 -1.7440 -1.7440 0.5642 0.5642 0.5653 0.5653 0.8329 0.8329 0.8341 0.8341 1.6784 1.6784 1.6790 1.6790 2.5133 2.5133 2.5140 2.5140 3.2082 3.2082 3.2090 3.2090 3.9992 3.9992 3.9997 3.9997 4.7625 4.7625 4.7630 4.7630 11.6013 11.6013 11.6018 11.6018 12.6446 12.6446 12.6467 12.6467 13.4565 13.4565 k =-0.4861 0.3008 0.5380 ( 4368 PWs) bands (ev): -13.2101 -13.2101 -13.2101 -13.2101 -10.5937 -10.5937 -10.5936 -10.5936 -8.9749 -8.9749 -8.9748 -8.9748 -2.7902 -2.7902 -2.7896 -2.7896 -1.7574 -1.7574 -1.7570 -1.7570 0.5710 0.5710 0.5716 0.5716 0.8247 0.8247 0.8253 0.8253 1.6896 1.6896 1.6899 1.6899 2.5048 2.5048 2.5052 2.5052 3.2053 3.2053 3.2057 3.2057 4.0040 4.0040 4.0043 4.0043 4.7572 4.7572 4.7574 4.7574 11.6035 11.6035 11.6037 11.6037 12.6458 12.6458 12.6469 12.6469 13.4609 13.4609 k =-0.5000 0.3094 0.5380 ( 4368 PWs) bands (ev): -13.2098 -13.2098 -13.2098 -13.2098 -10.5944 -10.5944 -10.5944 -10.5944 -8.9749 -8.9749 -8.9749 -8.9749 -2.7852 -2.7852 -2.7852 -2.7852 -1.7616 -1.7616 -1.7616 -1.7616 0.5736 0.5736 0.5736 0.5736 0.8221 0.8221 0.8221 0.8221 1.6935 1.6935 1.6935 1.6935 2.5021 2.5021 2.5021 2.5021 3.2045 3.2045 3.2045 3.2045 4.0058 4.0058 4.0058 4.0058 4.7555 4.7555 4.7555 4.7555 11.6043 11.6043 11.6043 11.6043 12.6466 12.6466 12.6466 12.6466 13.4629 13.4629 Writing output data file Si2N2O.save init_run : 4.38s CPU 15.06s WALL ( 1 calls) electrons : 1286.77s CPU 1301.57s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.41s CPU 1.55s WALL ( 1 calls) Called by electrons: c_bands : 1286.75s CPU 1301.31s WALL ( 1 calls) v_of_rho : 0.12s CPU 0.94s WALL ( 1 calls) v_h : 0.03s CPU 0.03s WALL ( 1 calls) v_xc : 0.08s CPU 0.64s WALL ( 1 calls) newd : 0.47s CPU 0.58s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.12s WALL ( 374 calls) cegterg : 1196.09s CPU 1206.38s WALL ( 1220 calls) Called by sum_band: Called by *egterg: h_psi : 424.41s CPU 438.76s WALL ( 23274 calls) s_psi : 66.61s CPU 67.14s WALL ( 23274 calls) g_psi : 0.95s CPU 1.03s WALL ( 21680 calls) cdiaghg : 541.54s CPU 538.26s WALL ( 22054 calls) cegterg:over : 91.02s CPU 87.20s WALL ( 21680 calls) cegterg:upda : 19.34s CPU 25.19s WALL ( 21680 calls) cegterg:last : 15.81s CPU 16.80s WALL ( 2723 calls) Called by h_psi: h_psi:vloc : 286.13s CPU 297.60s WALL ( 23274 calls) h_psi:vnl : 137.87s CPU 140.07s WALL ( 23274 calls) add_vuspsi : 49.84s CPU 56.67s WALL ( 23274 calls) General routines calbec : 87.94s CPU 83.28s WALL ( 23274 calls) fft : 0.40s CPU 1.32s WALL ( 19 calls) ffts : 0.00s CPU 0.01s WALL ( 4 calls) fftw : 268.33s CPU 276.62s WALL ( 1807872 calls) interpolate : 0.10s CPU 0.14s WALL ( 4 calls) davcio : 0.02s CPU 2.92s WALL ( 748 calls) Parallel routines fft_scatter : 168.60s CPU 175.37s WALL ( 1807895 calls) PWSCF : 22m44.54s CPU 24m38.77s WALL This run was terminated on: 7:15: 4 24Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=