Program PWSCF v.5.1.1 starts on 24Nov2015 at 17:13:44 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 26 7 1604 701 109 Max 47 27 8 1607 717 114 Sum 2215 1291 379 77027 34033 5371 bravais-lattice index = 14 lattice parameter (alat) = 9.8013 a.u. unit-cell volume = 782.2100 (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)= 9.801258 celldm(2)= 1.000000 celldm(3)= 0.929510 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.448534 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.448534 0.893766 0.000000 ) a(3) = ( 0.000000 0.000000 0.929510 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.501847 -0.000000 ) b(2) = ( 0.000000 1.118861 -0.000000 ) b(3) = ( 0.000000 0.000000 1.075835 ) 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 ) ( 0.4647551 ) 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) = ( 0.0086294 0.0139858 -0.0000000), wk = 0.0026738 k( 3) = ( 0.0172588 0.0279715 -0.0000000), wk = 0.0026738 k( 4) = ( 0.0258882 0.0419573 -0.0000000), wk = 0.0026738 k( 5) = ( 0.0345177 0.0559431 -0.0000000), wk = 0.0026738 k( 6) = ( 0.0431471 0.0699288 -0.0000000), wk = 0.0026738 k( 7) = ( 0.0517765 0.0839146 -0.0000000), wk = 0.0026738 k( 8) = ( 0.0604059 0.0979004 -0.0000000), wk = 0.0026738 k( 9) = ( 0.0690353 0.1118861 -0.0000000), wk = 0.0026738 k( 10) = ( 0.0776647 0.1258719 -0.0000000), wk = 0.0026738 k( 11) = ( 0.0862942 0.1398577 -0.0000000), wk = 0.0026738 k( 12) = ( 0.0949236 0.1538434 -0.0000000), wk = 0.0026738 k( 13) = ( 0.1035530 0.1678292 -0.0000000), wk = 0.0026738 k( 14) = ( 0.1121824 0.1818150 -0.0000000), wk = 0.0026738 k( 15) = ( 0.1208118 0.1958007 -0.0000000), wk = 0.0026738 k( 16) = ( 0.1294412 0.2097865 -0.0000000), wk = 0.0026738 k( 17) = ( 0.1380706 0.2237723 -0.0000000), wk = 0.0026738 k( 18) = ( 0.1467000 0.2377580 -0.0000000), wk = 0.0026738 k( 19) = ( 0.1553295 0.2517438 -0.0000000), wk = 0.0026738 k( 20) = ( 0.1639589 0.2657296 -0.0000000), wk = 0.0026738 k( 21) = ( 0.1725883 0.2797153 -0.0000000), wk = 0.0026738 k( 22) = ( 0.1812177 0.2937011 -0.0000000), wk = 0.0026738 k( 23) = ( 0.1898471 0.3076869 -0.0000000), wk = 0.0026738 k( 24) = ( 0.1984765 0.3216726 -0.0000000), wk = 0.0026738 k( 25) = ( 0.2071060 0.3356584 -0.0000000), wk = 0.0026738 k( 26) = ( 0.2157354 0.3496442 -0.0000000), wk = 0.0026738 k( 27) = ( 0.2243648 0.3636299 -0.0000000), wk = 0.0026738 k( 28) = ( 0.2329942 0.3776157 -0.0000000), wk = 0.0026738 k( 29) = ( 0.2416236 0.3916015 -0.0000000), wk = 0.0026738 k( 30) = ( 0.2502530 0.4055872 -0.0000000), wk = 0.0026738 k( 31) = ( 0.2588824 0.4195730 -0.0000000), wk = 0.0026738 k( 32) = ( 0.2675118 0.4335588 -0.0000000), wk = 0.0026738 k( 33) = ( 0.2761413 0.4475445 -0.0000000), wk = 0.0026738 k( 34) = ( 0.2847707 0.4615303 -0.0000000), wk = 0.0026738 k( 35) = ( 0.2934001 0.4755161 -0.0000000), wk = 0.0026738 k( 36) = ( 0.3020295 0.4895018 -0.0000000), wk = 0.0026738 k( 37) = ( 0.3106589 0.5034876 -0.0000000), wk = 0.0026738 k( 38) = ( 0.3192883 0.5174734 -0.0000000), wk = 0.0026738 k( 39) = ( 0.3279178 0.5314591 -0.0000000), wk = 0.0026738 k( 40) = ( 0.3365472 0.5454449 -0.0000000), wk = 0.0026738 k( 41) = ( 0.3451766 0.5594307 -0.0000000), wk = 0.0026738 k( 42) = ( 0.3451766 0.5594307 -0.0000000), wk = 0.0026738 k( 43) = ( 0.3287396 0.5594307 -0.0000000), wk = 0.0026738 k( 44) = ( 0.3123026 0.5594307 -0.0000000), wk = 0.0026738 k( 45) = ( 0.2958656 0.5594307 -0.0000000), wk = 0.0026738 k( 46) = ( 0.2794287 0.5594307 -0.0000000), wk = 0.0026738 k( 47) = ( 0.2629917 0.5594307 -0.0000000), wk = 0.0026738 k( 48) = ( 0.2465547 0.5594307 -0.0000000), wk = 0.0026738 k( 49) = ( 0.2301177 0.5594307 -0.0000000), wk = 0.0026738 k( 50) = ( 0.2136807 0.5594307 -0.0000000), wk = 0.0026738 k( 51) = ( 0.1972438 0.5594307 -0.0000000), wk = 0.0026738 k( 52) = ( 0.1808068 0.5594307 -0.0000000), wk = 0.0026738 k( 53) = ( 0.1643698 0.5594307 -0.0000000), wk = 0.0026738 k( 54) = ( 0.1479328 0.5594307 -0.0000000), wk = 0.0026738 k( 55) = ( 0.1314958 0.5594307 -0.0000000), wk = 0.0026738 k( 56) = ( 0.1150589 0.5594307 -0.0000000), wk = 0.0026738 k( 57) = ( 0.0986219 0.5594307 -0.0000000), wk = 0.0026738 k( 58) = ( 0.0821849 0.5594307 -0.0000000), wk = 0.0026738 k( 59) = ( 0.0657479 0.5594307 -0.0000000), wk = 0.0026738 k( 60) = ( 0.0493109 0.5594307 -0.0000000), wk = 0.0026738 k( 61) = ( 0.0328740 0.5594307 -0.0000000), wk = 0.0026738 k( 62) = ( 0.0164370 0.5594307 -0.0000000), wk = 0.0026738 k( 63) = ( 0.0000000 0.5594307 -0.0000000), wk = 0.0026738 k( 64) = ( 0.0000000 0.5594307 -0.0000000), wk = 0.0026738 k( 65) = ( 0.0000000 0.5594307 0.0163005), wk = 0.0026738 k( 66) = ( 0.0000000 0.5594307 0.0326011), wk = 0.0026738 k( 67) = ( 0.0000000 0.5594307 0.0489016), wk = 0.0026738 k( 68) = ( 0.0000000 0.5594307 0.0652021), wk = 0.0026738 k( 69) = ( 0.0000000 0.5594307 0.0815027), wk = 0.0026738 k( 70) = ( 0.0000000 0.5594307 0.0978032), wk = 0.0026738 k( 71) = ( 0.0000000 0.5594307 0.1141038), wk = 0.0026738 k( 72) = ( 0.0000000 0.5594307 0.1304043), wk = 0.0026738 k( 73) = ( 0.0000000 0.5594307 0.1467048), wk = 0.0026738 k( 74) = ( 0.0000000 0.5594307 0.1630054), wk = 0.0026738 k( 75) = ( 0.0000000 0.5594307 0.1793059), wk = 0.0026738 k( 76) = ( 0.0000000 0.5594307 0.1956064), wk = 0.0026738 k( 77) = ( 0.0000000 0.5594307 0.2119070), wk = 0.0026738 k( 78) = ( 0.0000000 0.5594307 0.2282075), wk = 0.0026738 k( 79) = ( 0.0000000 0.5594307 0.2445081), wk = 0.0026738 k( 80) = ( 0.0000000 0.5594307 0.2608086), wk = 0.0026738 k( 81) = ( 0.0000000 0.5594307 0.2771091), wk = 0.0026738 k( 82) = ( 0.0000000 0.5594307 0.2934097), wk = 0.0026738 k( 83) = ( 0.0000000 0.5594307 0.3097102), wk = 0.0026738 k( 84) = ( 0.0000000 0.5594307 0.3260107), wk = 0.0026738 k( 85) = ( 0.0000000 0.5594307 0.3423113), wk = 0.0026738 k( 86) = ( 0.0000000 0.5594307 0.3586118), wk = 0.0026738 k( 87) = ( 0.0000000 0.5594307 0.3749124), wk = 0.0026738 k( 88) = ( 0.0000000 0.5594307 0.3912129), wk = 0.0026738 k( 89) = ( 0.0000000 0.5594307 0.4075134), wk = 0.0026738 k( 90) = ( 0.0000000 0.5594307 0.4238140), wk = 0.0026738 k( 91) = ( 0.0000000 0.5594307 0.4401145), wk = 0.0026738 k( 92) = ( 0.0000000 0.5594307 0.4564150), wk = 0.0026738 k( 93) = ( 0.0000000 0.5594307 0.4727156), wk = 0.0026738 k( 94) = ( 0.0000000 0.5594307 0.4890161), wk = 0.0026738 k( 95) = ( 0.0000000 0.5594307 0.5053167), wk = 0.0026738 k( 96) = ( 0.0000000 0.5594307 0.5216172), wk = 0.0026738 k( 97) = ( 0.0000000 0.5594307 0.5379177), wk = 0.0026738 k( 98) = ( 0.0000000 0.5594307 0.5379177), wk = 0.0026738 k( 99) = ( 0.0164370 0.5594307 0.5379177), wk = 0.0026738 k( 100) = ( 0.0328740 0.5594307 0.5379177), wk = 0.0026738 k( 101) = ( 0.0493109 0.5594307 0.5379177), wk = 0.0026738 k( 102) = ( 0.0657479 0.5594307 0.5379177), wk = 0.0026738 k( 103) = ( 0.0821849 0.5594307 0.5379177), wk = 0.0026738 k( 104) = ( 0.0986219 0.5594307 0.5379177), wk = 0.0026738 k( 105) = ( 0.1150589 0.5594307 0.5379177), wk = 0.0026738 k( 106) = ( 0.1314958 0.5594307 0.5379177), wk = 0.0026738 k( 107) = ( 0.1479328 0.5594307 0.5379177), wk = 0.0026738 k( 108) = ( 0.1643698 0.5594307 0.5379177), wk = 0.0026738 k( 109) = ( 0.1808068 0.5594307 0.5379177), wk = 0.0026738 k( 110) = ( 0.1972438 0.5594307 0.5379177), wk = 0.0026738 k( 111) = ( 0.2136807 0.5594307 0.5379177), wk = 0.0026738 k( 112) = ( 0.2301177 0.5594307 0.5379177), wk = 0.0026738 k( 113) = ( 0.2465547 0.5594307 0.5379177), wk = 0.0026738 k( 114) = ( 0.2629917 0.5594307 0.5379177), wk = 0.0026738 k( 115) = ( 0.2794287 0.5594307 0.5379177), wk = 0.0026738 k( 116) = ( 0.2958656 0.5594307 0.5379177), wk = 0.0026738 k( 117) = ( 0.3123026 0.5594307 0.5379177), wk = 0.0026738 k( 118) = ( 0.3287396 0.5594307 0.5379177), wk = 0.0026738 k( 119) = ( 0.3451766 0.5594307 0.5379177), wk = 0.0026738 k( 120) = ( 0.3451766 0.5594307 0.5379177), wk = 0.0026738 k( 121) = ( 0.3365472 0.5454449 0.5379177), wk = 0.0026738 k( 122) = ( 0.3279178 0.5314591 0.5379177), wk = 0.0026738 k( 123) = ( 0.3192883 0.5174734 0.5379177), wk = 0.0026738 k( 124) = ( 0.3106589 0.5034876 0.5379177), wk = 0.0026738 k( 125) = ( 0.3020295 0.4895018 0.5379177), wk = 0.0026738 k( 126) = ( 0.2934001 0.4755161 0.5379177), wk = 0.0026738 k( 127) = ( 0.2847707 0.4615303 0.5379177), wk = 0.0026738 k( 128) = ( 0.2761413 0.4475445 0.5379177), wk = 0.0026738 k( 129) = ( 0.2675118 0.4335588 0.5379177), wk = 0.0026738 k( 130) = ( 0.2588824 0.4195730 0.5379177), wk = 0.0026738 k( 131) = ( 0.2502530 0.4055872 0.5379177), wk = 0.0026738 k( 132) = ( 0.2416236 0.3916015 0.5379177), wk = 0.0026738 k( 133) = ( 0.2329942 0.3776157 0.5379177), wk = 0.0026738 k( 134) = ( 0.2243648 0.3636299 0.5379177), wk = 0.0026738 k( 135) = ( 0.2157354 0.3496442 0.5379177), wk = 0.0026738 k( 136) = ( 0.2071060 0.3356584 0.5379177), wk = 0.0026738 k( 137) = ( 0.1984765 0.3216726 0.5379177), wk = 0.0026738 k( 138) = ( 0.1898471 0.3076869 0.5379177), wk = 0.0026738 k( 139) = ( 0.1812177 0.2937011 0.5379177), wk = 0.0026738 k( 140) = ( 0.1725883 0.2797153 0.5379177), wk = 0.0026738 k( 141) = ( 0.1639589 0.2657296 0.5379177), wk = 0.0026738 k( 142) = ( 0.1553295 0.2517438 0.5379177), wk = 0.0026738 k( 143) = ( 0.1467000 0.2377580 0.5379177), wk = 0.0026738 k( 144) = ( 0.1380706 0.2237723 0.5379177), wk = 0.0026738 k( 145) = ( 0.1294412 0.2097865 0.5379177), wk = 0.0026738 k( 146) = ( 0.1208118 0.1958007 0.5379177), wk = 0.0026738 k( 147) = ( 0.1121824 0.1818150 0.5379177), wk = 0.0026738 k( 148) = ( 0.1035530 0.1678292 0.5379177), wk = 0.0026738 k( 149) = ( 0.0949236 0.1538434 0.5379177), wk = 0.0026738 k( 150) = ( 0.0862942 0.1398577 0.5379177), wk = 0.0026738 k( 151) = ( 0.0776647 0.1258719 0.5379177), wk = 0.0026738 k( 152) = ( 0.0690353 0.1118861 0.5379177), wk = 0.0026738 k( 153) = ( 0.0604059 0.0979004 0.5379177), wk = 0.0026738 k( 154) = ( 0.0517765 0.0839146 0.5379177), wk = 0.0026738 k( 155) = ( 0.0431471 0.0699288 0.5379177), wk = 0.0026738 k( 156) = ( 0.0345177 0.0559431 0.5379177), wk = 0.0026738 k( 157) = ( 0.0258882 0.0419573 0.5379177), wk = 0.0026738 k( 158) = ( 0.0172588 0.0279715 0.5379177), wk = 0.0026738 k( 159) = ( 0.0086294 0.0139858 0.5379177), wk = 0.0026738 k( 160) = ( 0.0000000 0.0000000 0.5379177), wk = 0.0026738 k( 161) = ( 0.0000000 0.0000000 0.5379177), wk = 0.0026738 k( 162) = ( 0.0000000 0.0000000 0.5216172), wk = 0.0026738 k( 163) = ( 0.0000000 0.0000000 0.5053167), wk = 0.0026738 k( 164) = ( 0.0000000 0.0000000 0.4890161), wk = 0.0026738 k( 165) = ( 0.0000000 0.0000000 0.4727156), wk = 0.0026738 k( 166) = ( 0.0000000 0.0000000 0.4564150), wk = 0.0026738 k( 167) = ( 0.0000000 0.0000000 0.4401145), wk = 0.0026738 k( 168) = ( 0.0000000 0.0000000 0.4238140), wk = 0.0026738 k( 169) = ( 0.0000000 0.0000000 0.4075134), wk = 0.0026738 k( 170) = ( 0.0000000 0.0000000 0.3912129), wk = 0.0026738 k( 171) = ( 0.0000000 0.0000000 0.3749124), wk = 0.0026738 k( 172) = ( 0.0000000 0.0000000 0.3586118), wk = 0.0026738 k( 173) = ( 0.0000000 0.0000000 0.3423113), wk = 0.0026738 k( 174) = ( 0.0000000 0.0000000 0.3260107), wk = 0.0026738 k( 175) = ( 0.0000000 0.0000000 0.3097102), wk = 0.0026738 k( 176) = ( 0.0000000 0.0000000 0.2934097), wk = 0.0026738 k( 177) = ( 0.0000000 0.0000000 0.2771091), wk = 0.0026738 k( 178) = ( 0.0000000 0.0000000 0.2608086), wk = 0.0026738 k( 179) = ( 0.0000000 0.0000000 0.2445081), wk = 0.0026738 k( 180) = ( 0.0000000 0.0000000 0.2282075), wk = 0.0026738 k( 181) = ( 0.0000000 0.0000000 0.2119070), wk = 0.0026738 k( 182) = ( 0.0000000 0.0000000 0.1956064), wk = 0.0026738 k( 183) = ( 0.0000000 0.0000000 0.1793059), wk = 0.0026738 k( 184) = ( 0.0000000 0.0000000 0.1630054), wk = 0.0026738 k( 185) = ( 0.0000000 0.0000000 0.1467048), wk = 0.0026738 k( 186) = ( 0.0000000 0.0000000 0.1304043), wk = 0.0026738 k( 187) = ( 0.0000000 0.0000000 0.1141038), wk = 0.0026738 k( 188) = ( 0.0000000 0.0000000 0.0978032), wk = 0.0026738 k( 189) = ( 0.0000000 0.0000000 0.0815027), wk = 0.0026738 k( 190) = ( 0.0000000 0.0000000 0.0652021), wk = 0.0026738 k( 191) = ( 0.0000000 0.0000000 0.0489016), wk = 0.0026738 k( 192) = ( 0.0000000 0.0000000 0.0326011), wk = 0.0026738 k( 193) = ( 0.0000000 0.0000000 0.0163005), 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 0.0085696 0.0000000), wk = 0.0026738 k( 197) = ( -0.0277778 0.0171393 0.0000000), wk = 0.0026738 k( 198) = ( -0.0416667 0.0257089 0.0000000), wk = 0.0026738 k( 199) = ( -0.0555556 0.0342786 0.0000000), wk = 0.0026738 k( 200) = ( -0.0694444 0.0428482 -0.0000000), wk = 0.0026738 k( 201) = ( -0.0833333 0.0514178 0.0000000), wk = 0.0026738 k( 202) = ( -0.0972222 0.0599875 -0.0000000), wk = 0.0026738 k( 203) = ( -0.1111111 0.0685571 0.0000000), wk = 0.0026738 k( 204) = ( -0.1250000 0.0771268 -0.0000000), wk = 0.0026738 k( 205) = ( -0.1388889 0.0856964 -0.0000000), wk = 0.0026738 k( 206) = ( -0.1527778 0.0942660 -0.0000000), wk = 0.0026738 k( 207) = ( -0.1666667 0.1028357 0.0000000), wk = 0.0026738 k( 208) = ( -0.1805556 0.1114053 -0.0000000), wk = 0.0026738 k( 209) = ( -0.1944444 0.1199750 -0.0000000), wk = 0.0026738 k( 210) = ( -0.2083333 0.1285446 -0.0000000), wk = 0.0026738 k( 211) = ( -0.2222222 0.1371142 0.0000000), wk = 0.0026738 k( 212) = ( -0.2361111 0.1456839 -0.0000000), wk = 0.0026738 k( 213) = ( -0.2500000 0.1542535 -0.0000000), wk = 0.0026738 k( 214) = ( -0.2638889 0.1628232 -0.0000000), wk = 0.0026738 k( 215) = ( -0.2777778 0.1713928 -0.0000000), wk = 0.0026738 k( 216) = ( -0.2916667 0.1799624 -0.0000000), wk = 0.0026738 k( 217) = ( -0.3055556 0.1885321 -0.0000000), wk = 0.0026738 k( 218) = ( -0.3194444 0.1971017 -0.0000000), wk = 0.0026738 k( 219) = ( -0.3333333 0.2056713 -0.0000000), wk = 0.0026738 k( 220) = ( -0.3472222 0.2142410 -0.0000000), wk = 0.0026738 k( 221) = ( -0.3611111 0.2228106 -0.0000000), wk = 0.0026738 k( 222) = ( -0.3750000 0.2313803 0.0000000), wk = 0.0026738 k( 223) = ( -0.3888889 0.2399499 0.0000000), wk = 0.0026738 k( 224) = ( -0.4027778 0.2485195 -0.0000000), wk = 0.0026738 k( 225) = ( -0.4166667 0.2570892 -0.0000000), wk = 0.0026738 k( 226) = ( -0.4305556 0.2656588 -0.0000000), wk = 0.0026738 k( 227) = ( -0.4444444 0.2742285 0.0000000), wk = 0.0026738 k( 228) = ( -0.4583333 0.2827981 -0.0000000), wk = 0.0026738 k( 229) = ( -0.4722222 0.2913677 -0.0000000), wk = 0.0026738 k( 230) = ( -0.4861111 0.2999374 -0.0000000), wk = 0.0026738 k( 231) = ( -0.5000000 0.3085070 -0.0000000), wk = 0.0026738 k( 232) = ( -0.5000000 0.3085070 -0.0000000), wk = 0.0026738 k( 233) = ( -0.4913987 0.3224472 -0.0000000), wk = 0.0026738 k( 234) = ( -0.4827974 0.3363874 -0.0000000), wk = 0.0026738 k( 235) = ( -0.4741961 0.3503276 -0.0000000), wk = 0.0026738 k( 236) = ( -0.4655948 0.3642678 -0.0000000), wk = 0.0026738 k( 237) = ( -0.4569935 0.3782080 -0.0000000), wk = 0.0026738 k( 238) = ( -0.4483922 0.3921482 -0.0000000), wk = 0.0026738 k( 239) = ( -0.4397909 0.4060884 -0.0000000), wk = 0.0026738 k( 240) = ( -0.4311896 0.4200286 -0.0000000), wk = 0.0026738 k( 241) = ( -0.4225883 0.4339689 -0.0000000), wk = 0.0026738 k( 242) = ( -0.4139870 0.4479091 -0.0000000), wk = 0.0026738 k( 243) = ( -0.4053857 0.4618493 -0.0000000), wk = 0.0026738 k( 244) = ( -0.3967844 0.4757895 -0.0000000), wk = 0.0026738 k( 245) = ( -0.3881831 0.4897297 -0.0000000), wk = 0.0026738 k( 246) = ( -0.3795818 0.5036699 -0.0000000), wk = 0.0026738 k( 247) = ( -0.3709805 0.5176101 -0.0000000), wk = 0.0026738 k( 248) = ( -0.3623792 0.5315503 -0.0000000), wk = 0.0026738 k( 249) = ( -0.3537779 0.5454905 -0.0000000), wk = 0.0026738 k( 250) = ( -0.3451766 0.5594307 -0.0000000), wk = 0.0026738 k( 251) = ( -0.3451766 0.5594307 -0.0000000), wk = 0.0026738 k( 252) = ( -0.3451766 0.5594307 0.0163005), wk = 0.0026738 k( 253) = ( -0.3451766 0.5594307 0.0326011), wk = 0.0026738 k( 254) = ( -0.3451766 0.5594307 0.0489016), wk = 0.0026738 k( 255) = ( -0.3451766 0.5594307 0.0652021), wk = 0.0026738 k( 256) = ( -0.3451766 0.5594307 0.0815027), wk = 0.0026738 k( 257) = ( -0.3451766 0.5594307 0.0978032), wk = 0.0026738 k( 258) = ( -0.3451766 0.5594307 0.1141038), wk = 0.0026738 k( 259) = ( -0.3451766 0.5594307 0.1304043), wk = 0.0026738 k( 260) = ( -0.3451766 0.5594307 0.1467048), wk = 0.0026738 k( 261) = ( -0.3451766 0.5594307 0.1630054), wk = 0.0026738 k( 262) = ( -0.3451766 0.5594307 0.1793059), wk = 0.0026738 k( 263) = ( -0.3451766 0.5594307 0.1956064), wk = 0.0026738 k( 264) = ( -0.3451766 0.5594307 0.2119070), wk = 0.0026738 k( 265) = ( -0.3451766 0.5594307 0.2282075), wk = 0.0026738 k( 266) = ( -0.3451766 0.5594307 0.2445081), wk = 0.0026738 k( 267) = ( -0.3451766 0.5594307 0.2608086), wk = 0.0026738 k( 268) = ( -0.3451766 0.5594307 0.2771091), wk = 0.0026738 k( 269) = ( -0.3451766 0.5594307 0.2934097), wk = 0.0026738 k( 270) = ( -0.3451766 0.5594307 0.3097102), wk = 0.0026738 k( 271) = ( -0.3451766 0.5594307 0.3260107), wk = 0.0026738 k( 272) = ( -0.3451766 0.5594307 0.3423113), wk = 0.0026738 k( 273) = ( -0.3451766 0.5594307 0.3586118), wk = 0.0026738 k( 274) = ( -0.3451766 0.5594307 0.3749124), wk = 0.0026738 k( 275) = ( -0.3451766 0.5594307 0.3912129), wk = 0.0026738 k( 276) = ( -0.3451766 0.5594307 0.4075134), wk = 0.0026738 k( 277) = ( -0.3451766 0.5594307 0.4238140), wk = 0.0026738 k( 278) = ( -0.3451766 0.5594307 0.4401145), wk = 0.0026738 k( 279) = ( -0.3451766 0.5594307 0.4564150), wk = 0.0026738 k( 280) = ( -0.3451766 0.5594307 0.4727156), wk = 0.0026738 k( 281) = ( -0.3451766 0.5594307 0.4890161), wk = 0.0026738 k( 282) = ( -0.3451766 0.5594307 0.5053167), wk = 0.0026738 k( 283) = ( -0.3451766 0.5594307 0.5216172), wk = 0.0026738 k( 284) = ( -0.3451766 0.5594307 0.5379177), wk = 0.0026738 k( 285) = ( -0.3451766 0.5594307 0.5379177), wk = 0.0026738 k( 286) = ( -0.3537779 0.5454905 0.5379177), wk = 0.0026738 k( 287) = ( -0.3623792 0.5315503 0.5379177), wk = 0.0026738 k( 288) = ( -0.3709805 0.5176101 0.5379177), wk = 0.0026738 k( 289) = ( -0.3795818 0.5036699 0.5379177), wk = 0.0026738 k( 290) = ( -0.3881831 0.4897297 0.5379177), wk = 0.0026738 k( 291) = ( -0.3967844 0.4757895 0.5379177), wk = 0.0026738 k( 292) = ( -0.4053857 0.4618493 0.5379177), wk = 0.0026738 k( 293) = ( -0.4139870 0.4479091 0.5379177), wk = 0.0026738 k( 294) = ( -0.4225883 0.4339689 0.5379177), wk = 0.0026738 k( 295) = ( -0.4311896 0.4200286 0.5379177), wk = 0.0026738 k( 296) = ( -0.4397909 0.4060884 0.5379177), wk = 0.0026738 k( 297) = ( -0.4483922 0.3921482 0.5379177), wk = 0.0026738 k( 298) = ( -0.4569935 0.3782080 0.5379177), wk = 0.0026738 k( 299) = ( -0.4655948 0.3642678 0.5379177), wk = 0.0026738 k( 300) = ( -0.4741961 0.3503276 0.5379177), wk = 0.0026738 k( 301) = ( -0.4827974 0.3363874 0.5379177), wk = 0.0026738 k( 302) = ( -0.4913987 0.3224472 0.5379177), wk = 0.0026738 k( 303) = ( -0.5000000 0.3085070 0.5379177), wk = 0.0026738 k( 304) = ( -0.5000000 0.3085070 0.5379177), wk = 0.0026738 k( 305) = ( -0.5000000 0.3085070 0.5216172), wk = 0.0026738 k( 306) = ( -0.5000000 0.3085070 0.5053167), wk = 0.0026738 k( 307) = ( -0.5000000 0.3085070 0.4890161), wk = 0.0026738 k( 308) = ( -0.5000000 0.3085070 0.4727156), wk = 0.0026738 k( 309) = ( -0.5000000 0.3085070 0.4564150), wk = 0.0026738 k( 310) = ( -0.5000000 0.3085070 0.4401145), wk = 0.0026738 k( 311) = ( -0.5000000 0.3085070 0.4238140), wk = 0.0026738 k( 312) = ( -0.5000000 0.3085070 0.4075134), wk = 0.0026738 k( 313) = ( -0.5000000 0.3085070 0.3912129), wk = 0.0026738 k( 314) = ( -0.5000000 0.3085070 0.3749124), wk = 0.0026738 k( 315) = ( -0.5000000 0.3085070 0.3586118), wk = 0.0026738 k( 316) = ( -0.5000000 0.3085070 0.3423113), wk = 0.0026738 k( 317) = ( -0.5000000 0.3085070 0.3260107), wk = 0.0026738 k( 318) = ( -0.5000000 0.3085070 0.3097102), wk = 0.0026738 k( 319) = ( -0.5000000 0.3085070 0.2934097), wk = 0.0026738 k( 320) = ( -0.5000000 0.3085070 0.2771091), wk = 0.0026738 k( 321) = ( -0.5000000 0.3085070 0.2608086), wk = 0.0026738 k( 322) = ( -0.5000000 0.3085070 0.2445081), wk = 0.0026738 k( 323) = ( -0.5000000 0.3085070 0.2282075), wk = 0.0026738 k( 324) = ( -0.5000000 0.3085070 0.2119070), wk = 0.0026738 k( 325) = ( -0.5000000 0.3085070 0.1956064), wk = 0.0026738 k( 326) = ( -0.5000000 0.3085070 0.1793059), wk = 0.0026738 k( 327) = ( -0.5000000 0.3085070 0.1630054), wk = 0.0026738 k( 328) = ( -0.5000000 0.3085070 0.1467048), wk = 0.0026738 k( 329) = ( -0.5000000 0.3085070 0.1304043), wk = 0.0026738 k( 330) = ( -0.5000000 0.3085070 0.1141038), wk = 0.0026738 k( 331) = ( -0.5000000 0.3085070 0.0978032), wk = 0.0026738 k( 332) = ( -0.5000000 0.3085070 0.0815027), wk = 0.0026738 k( 333) = ( -0.5000000 0.3085070 0.0652021), wk = 0.0026738 k( 334) = ( -0.5000000 0.3085070 0.0489016), wk = 0.0026738 k( 335) = ( -0.5000000 0.3085070 0.0326011), wk = 0.0026738 k( 336) = ( -0.5000000 0.3085070 0.0163005), wk = 0.0026738 k( 337) = ( -0.5000000 0.3085070 -0.0000000), wk = 0.0026738 k( 338) = ( 0.0000000 0.0000000 0.5379177), wk = 0.0026738 k( 339) = ( -0.0138889 0.0085696 0.5379177), wk = 0.0026738 k( 340) = ( -0.0277778 0.0171393 0.5379177), wk = 0.0026738 k( 341) = ( -0.0416667 0.0257089 0.5379177), wk = 0.0026738 k( 342) = ( -0.0555556 0.0342786 0.5379177), wk = 0.0026738 k( 343) = ( -0.0694444 0.0428482 0.5379177), wk = 0.0026738 k( 344) = ( -0.0833333 0.0514178 0.5379177), wk = 0.0026738 k( 345) = ( -0.0972222 0.0599875 0.5379177), wk = 0.0026738 k( 346) = ( -0.1111111 0.0685571 0.5379177), wk = 0.0026738 k( 347) = ( -0.1250000 0.0771268 0.5379177), wk = 0.0026738 k( 348) = ( -0.1388889 0.0856964 0.5379177), wk = 0.0026738 k( 349) = ( -0.1527778 0.0942660 0.5379177), wk = 0.0026738 k( 350) = ( -0.1666667 0.1028357 0.5379177), wk = 0.0026738 k( 351) = ( -0.1805556 0.1114053 0.5379177), wk = 0.0026738 k( 352) = ( -0.1944444 0.1199750 0.5379177), wk = 0.0026738 k( 353) = ( -0.2083333 0.1285446 0.5379177), wk = 0.0026738 k( 354) = ( -0.2222222 0.1371142 0.5379177), wk = 0.0026738 k( 355) = ( -0.2361111 0.1456839 0.5379177), wk = 0.0026738 k( 356) = ( -0.2500000 0.1542535 0.5379177), wk = 0.0026738 k( 357) = ( -0.2638889 0.1628232 0.5379177), wk = 0.0026738 k( 358) = ( -0.2777778 0.1713928 0.5379177), wk = 0.0026738 k( 359) = ( -0.2916667 0.1799624 0.5379177), wk = 0.0026738 k( 360) = ( -0.3055556 0.1885321 0.5379177), wk = 0.0026738 k( 361) = ( -0.3194444 0.1971017 0.5379177), wk = 0.0026738 k( 362) = ( -0.3333333 0.2056713 0.5379177), wk = 0.0026738 k( 363) = ( -0.3472222 0.2142410 0.5379177), wk = 0.0026738 k( 364) = ( -0.3611111 0.2228106 0.5379177), wk = 0.0026738 k( 365) = ( -0.3750000 0.2313803 0.5379177), wk = 0.0026738 k( 366) = ( -0.3888889 0.2399499 0.5379177), wk = 0.0026738 k( 367) = ( -0.4027778 0.2485195 0.5379177), wk = 0.0026738 k( 368) = ( -0.4166667 0.2570892 0.5379177), wk = 0.0026738 k( 369) = ( -0.4305556 0.2656588 0.5379177), wk = 0.0026738 k( 370) = ( -0.4444444 0.2742285 0.5379177), wk = 0.0026738 k( 371) = ( -0.4583333 0.2827981 0.5379177), wk = 0.0026738 k( 372) = ( -0.4722222 0.2913677 0.5379177), wk = 0.0026738 k( 373) = ( -0.4861111 0.2999374 0.5379177), wk = 0.0026738 k( 374) = ( -0.5000000 0.3085070 0.5379177), wk = 0.0026738 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 2) = ( 0.0086294 0.0086294 0.0000000), wk = 0.0026738 k( 3) = ( 0.0172588 0.0172588 0.0000000), wk = 0.0026738 k( 4) = ( 0.0258882 0.0258882 0.0000000), wk = 0.0026738 k( 5) = ( 0.0345177 0.0345177 0.0000000), wk = 0.0026738 k( 6) = ( 0.0431471 0.0431471 0.0000000), wk = 0.0026738 k( 7) = ( 0.0517765 0.0517765 0.0000000), wk = 0.0026738 k( 8) = ( 0.0604059 0.0604059 0.0000000), wk = 0.0026738 k( 9) = ( 0.0690353 0.0690353 0.0000000), wk = 0.0026738 k( 10) = ( 0.0776647 0.0776647 0.0000000), wk = 0.0026738 k( 11) = ( 0.0862942 0.0862941 0.0000000), wk = 0.0026738 k( 12) = ( 0.0949236 0.0949236 0.0000000), wk = 0.0026738 k( 13) = ( 0.1035530 0.1035530 0.0000000), wk = 0.0026738 k( 14) = ( 0.1121824 0.1121824 -0.0000000), wk = 0.0026738 k( 15) = ( 0.1208118 0.1208118 0.0000000), wk = 0.0026738 k( 16) = ( 0.1294412 0.1294412 0.0000000), wk = 0.0026738 k( 17) = ( 0.1380706 0.1380706 0.0000000), wk = 0.0026738 k( 18) = ( 0.1467000 0.1467000 0.0000000), wk = 0.0026738 k( 19) = ( 0.1553295 0.1553295 0.0000000), wk = 0.0026738 k( 20) = ( 0.1639589 0.1639589 0.0000000), wk = 0.0026738 k( 21) = ( 0.1725883 0.1725883 -0.0000000), wk = 0.0026738 k( 22) = ( 0.1812177 0.1812177 0.0000000), wk = 0.0026738 k( 23) = ( 0.1898471 0.1898471 0.0000000), wk = 0.0026738 k( 24) = ( 0.1984765 0.1984765 0.0000000), wk = 0.0026738 k( 25) = ( 0.2071060 0.2071060 0.0000000), wk = 0.0026738 k( 26) = ( 0.2157354 0.2157354 0.0000000), wk = 0.0026738 k( 27) = ( 0.2243648 0.2243648 -0.0000000), wk = 0.0026738 k( 28) = ( 0.2329942 0.2329942 0.0000000), wk = 0.0026738 k( 29) = ( 0.2416236 0.2416236 0.0000000), wk = 0.0026738 k( 30) = ( 0.2502530 0.2502530 0.0000000), wk = 0.0026738 k( 31) = ( 0.2588824 0.2588824 0.0000000), wk = 0.0026738 k( 32) = ( 0.2675118 0.2675118 0.0000000), wk = 0.0026738 k( 33) = ( 0.2761413 0.2761413 0.0000000), wk = 0.0026738 k( 34) = ( 0.2847707 0.2847707 0.0000000), wk = 0.0026738 k( 35) = ( 0.2934001 0.2934001 0.0000000), wk = 0.0026738 k( 36) = ( 0.3020295 0.3020295 0.0000000), wk = 0.0026738 k( 37) = ( 0.3106589 0.3106589 0.0000000), wk = 0.0026738 k( 38) = ( 0.3192883 0.3192883 0.0000000), wk = 0.0026738 k( 39) = ( 0.3279178 0.3279178 0.0000000), wk = 0.0026738 k( 40) = ( 0.3365472 0.3365472 0.0000000), wk = 0.0026738 k( 41) = ( 0.3451766 0.3451766 -0.0000000), wk = 0.0026738 k( 42) = ( 0.3451766 0.3451766 -0.0000000), wk = 0.0026738 k( 43) = ( 0.3287396 0.3525491 0.0000000), wk = 0.0026738 k( 44) = ( 0.3123026 0.3599217 0.0000000), wk = 0.0026738 k( 45) = ( 0.2958656 0.3672942 0.0000000), wk = 0.0026738 k( 46) = ( 0.2794287 0.3746668 0.0000000), wk = 0.0026738 k( 47) = ( 0.2629917 0.3820393 0.0000000), wk = 0.0026738 k( 48) = ( 0.2465547 0.3894119 0.0000000), wk = 0.0026738 k( 49) = ( 0.2301177 0.3967844 -0.0000000), wk = 0.0026738 k( 50) = ( 0.2136807 0.4041569 0.0000000), wk = 0.0026738 k( 51) = ( 0.1972438 0.4115295 0.0000000), wk = 0.0026738 k( 52) = ( 0.1808068 0.4189020 0.0000000), wk = 0.0026738 k( 53) = ( 0.1643698 0.4262746 0.0000000), wk = 0.0026738 k( 54) = ( 0.1479328 0.4336471 0.0000000), wk = 0.0026738 k( 55) = ( 0.1314958 0.4410197 0.0000000), wk = 0.0026738 k( 56) = ( 0.1150589 0.4483922 0.0000000), wk = 0.0026738 k( 57) = ( 0.0986219 0.4557647 0.0000000), wk = 0.0026738 k( 58) = ( 0.0821849 0.4631373 0.0000000), wk = 0.0026738 k( 59) = ( 0.0657479 0.4705098 0.0000000), wk = 0.0026738 k( 60) = ( 0.0493109 0.4778824 0.0000000), wk = 0.0026738 k( 61) = ( 0.0328740 0.4852549 -0.0000000), wk = 0.0026738 k( 62) = ( 0.0164370 0.4926275 -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 0.0454546), 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) = ( 0.0164370 0.4926275 0.5000000), wk = 0.0026738 k( 100) = ( 0.0328740 0.4852549 0.5000000), wk = 0.0026738 k( 101) = ( 0.0493109 0.4778824 0.5000000), wk = 0.0026738 k( 102) = ( 0.0657479 0.4705098 0.5000000), wk = 0.0026738 k( 103) = ( 0.0821849 0.4631373 0.5000000), wk = 0.0026738 k( 104) = ( 0.0986219 0.4557647 0.5000000), wk = 0.0026738 k( 105) = ( 0.1150589 0.4483922 0.5000000), wk = 0.0026738 k( 106) = ( 0.1314958 0.4410197 0.5000000), wk = 0.0026738 k( 107) = ( 0.1479328 0.4336471 0.5000000), wk = 0.0026738 k( 108) = ( 0.1643698 0.4262746 0.5000000), wk = 0.0026738 k( 109) = ( 0.1808068 0.4189020 0.5000000), wk = 0.0026738 k( 110) = ( 0.1972438 0.4115295 0.5000000), wk = 0.0026738 k( 111) = ( 0.2136807 0.4041569 0.5000000), wk = 0.0026738 k( 112) = ( 0.2301177 0.3967844 0.5000000), wk = 0.0026738 k( 113) = ( 0.2465547 0.3894119 0.5000000), wk = 0.0026738 k( 114) = ( 0.2629917 0.3820393 0.5000000), wk = 0.0026738 k( 115) = ( 0.2794287 0.3746668 0.5000000), wk = 0.0026738 k( 116) = ( 0.2958656 0.3672942 0.5000000), wk = 0.0026738 k( 117) = ( 0.3123026 0.3599217 0.5000000), wk = 0.0026738 k( 118) = ( 0.3287396 0.3525491 0.5000000), wk = 0.0026738 k( 119) = ( 0.3451766 0.3451766 0.5000000), wk = 0.0026738 k( 120) = ( 0.3451766 0.3451766 0.5000000), wk = 0.0026738 k( 121) = ( 0.3365472 0.3365472 0.5000000), wk = 0.0026738 k( 122) = ( 0.3279178 0.3279178 0.5000000), wk = 0.0026738 k( 123) = ( 0.3192883 0.3192883 0.5000000), wk = 0.0026738 k( 124) = ( 0.3106589 0.3106589 0.5000000), wk = 0.0026738 k( 125) = ( 0.3020295 0.3020295 0.5000000), wk = 0.0026738 k( 126) = ( 0.2934001 0.2934001 0.5000000), wk = 0.0026738 k( 127) = ( 0.2847707 0.2847707 0.5000000), wk = 0.0026738 k( 128) = ( 0.2761413 0.2761413 0.5000000), wk = 0.0026738 k( 129) = ( 0.2675118 0.2675118 0.5000000), wk = 0.0026738 k( 130) = ( 0.2588824 0.2588824 0.5000000), wk = 0.0026738 k( 131) = ( 0.2502530 0.2502530 0.5000000), wk = 0.0026738 k( 132) = ( 0.2416236 0.2416236 0.5000000), wk = 0.0026738 k( 133) = ( 0.2329942 0.2329942 0.5000000), wk = 0.0026738 k( 134) = ( 0.2243648 0.2243648 0.5000000), wk = 0.0026738 k( 135) = ( 0.2157354 0.2157354 0.5000000), wk = 0.0026738 k( 136) = ( 0.2071060 0.2071060 0.5000000), wk = 0.0026738 k( 137) = ( 0.1984765 0.1984765 0.5000000), wk = 0.0026738 k( 138) = ( 0.1898471 0.1898471 0.5000000), wk = 0.0026738 k( 139) = ( 0.1812177 0.1812177 0.5000000), wk = 0.0026738 k( 140) = ( 0.1725883 0.1725883 0.5000000), wk = 0.0026738 k( 141) = ( 0.1639589 0.1639589 0.5000000), wk = 0.0026738 k( 142) = ( 0.1553295 0.1553295 0.5000000), wk = 0.0026738 k( 143) = ( 0.1467000 0.1467000 0.5000000), wk = 0.0026738 k( 144) = ( 0.1380706 0.1380706 0.5000000), wk = 0.0026738 k( 145) = ( 0.1294412 0.1294412 0.5000000), wk = 0.0026738 k( 146) = ( 0.1208118 0.1208118 0.5000000), wk = 0.0026738 k( 147) = ( 0.1121824 0.1121824 0.5000000), wk = 0.0026738 k( 148) = ( 0.1035530 0.1035530 0.5000000), wk = 0.0026738 k( 149) = ( 0.0949236 0.0949236 0.5000000), wk = 0.0026738 k( 150) = ( 0.0862942 0.0862941 0.5000000), wk = 0.0026738 k( 151) = ( 0.0776647 0.0776647 0.5000000), wk = 0.0026738 k( 152) = ( 0.0690353 0.0690353 0.5000000), wk = 0.0026738 k( 153) = ( 0.0604059 0.0604059 0.5000000), wk = 0.0026738 k( 154) = ( 0.0517765 0.0517765 0.5000000), wk = 0.0026738 k( 155) = ( 0.0431471 0.0431471 0.5000000), wk = 0.0026738 k( 156) = ( 0.0345177 0.0345177 0.5000000), wk = 0.0026738 k( 157) = ( 0.0258882 0.0258882 0.5000000), wk = 0.0026738 k( 158) = ( 0.0172588 0.0172588 0.5000000), wk = 0.0026738 k( 159) = ( 0.0086294 0.0086294 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 0.0454546), 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) = ( -0.4913987 0.5086013 -0.0000000), wk = 0.0026738 k( 234) = ( -0.4827974 0.5172026 0.0000000), wk = 0.0026738 k( 235) = ( -0.4741961 0.5258039 -0.0000000), wk = 0.0026738 k( 236) = ( -0.4655948 0.5344052 -0.0000000), wk = 0.0026738 k( 237) = ( -0.4569935 0.5430065 -0.0000000), wk = 0.0026738 k( 238) = ( -0.4483922 0.5516078 0.0000000), wk = 0.0026738 k( 239) = ( -0.4397909 0.5602091 -0.0000000), wk = 0.0026738 k( 240) = ( -0.4311896 0.5688104 -0.0000000), wk = 0.0026738 k( 241) = ( -0.4225883 0.5774117 -0.0000000), wk = 0.0026738 k( 242) = ( -0.4139870 0.5860130 -0.0000000), wk = 0.0026738 k( 243) = ( -0.4053857 0.5946143 0.0000000), wk = 0.0026738 k( 244) = ( -0.3967844 0.6032156 0.0000000), wk = 0.0026738 k( 245) = ( -0.3881831 0.6118169 0.0000000), wk = 0.0026738 k( 246) = ( -0.3795818 0.6204182 0.0000000), wk = 0.0026738 k( 247) = ( -0.3709805 0.6290195 0.0000000), wk = 0.0026738 k( 248) = ( -0.3623792 0.6376208 -0.0000000), wk = 0.0026738 k( 249) = ( -0.3537779 0.6462221 0.0000000), wk = 0.0026738 k( 250) = ( -0.3451766 0.6548234 -0.0000000), wk = 0.0026738 k( 251) = ( -0.3451766 0.6548234 -0.0000000), wk = 0.0026738 k( 252) = ( -0.3451766 0.6548234 0.0151515), wk = 0.0026738 k( 253) = ( -0.3451766 0.6548234 0.0303030), wk = 0.0026738 k( 254) = ( -0.3451766 0.6548234 0.0454546), wk = 0.0026738 k( 255) = ( -0.3451766 0.6548234 0.0606061), wk = 0.0026738 k( 256) = ( -0.3451766 0.6548234 0.0757576), wk = 0.0026738 k( 257) = ( -0.3451766 0.6548234 0.0909091), wk = 0.0026738 k( 258) = ( -0.3451766 0.6548234 0.1060606), wk = 0.0026738 k( 259) = ( -0.3451766 0.6548234 0.1212121), wk = 0.0026738 k( 260) = ( -0.3451766 0.6548234 0.1363636), wk = 0.0026738 k( 261) = ( -0.3451766 0.6548234 0.1515151), wk = 0.0026738 k( 262) = ( -0.3451766 0.6548234 0.1666667), wk = 0.0026738 k( 263) = ( -0.3451766 0.6548234 0.1818182), wk = 0.0026738 k( 264) = ( -0.3451766 0.6548234 0.1969697), wk = 0.0026738 k( 265) = ( -0.3451766 0.6548234 0.2121212), wk = 0.0026738 k( 266) = ( -0.3451766 0.6548234 0.2272727), wk = 0.0026738 k( 267) = ( -0.3451766 0.6548234 0.2424242), wk = 0.0026738 k( 268) = ( -0.3451766 0.6548234 0.2575758), wk = 0.0026738 k( 269) = ( -0.3451766 0.6548234 0.2727273), wk = 0.0026738 k( 270) = ( -0.3451766 0.6548234 0.2878788), wk = 0.0026738 k( 271) = ( -0.3451766 0.6548234 0.3030303), wk = 0.0026738 k( 272) = ( -0.3451766 0.6548234 0.3181818), wk = 0.0026738 k( 273) = ( -0.3451766 0.6548234 0.3333333), wk = 0.0026738 k( 274) = ( -0.3451766 0.6548234 0.3484848), wk = 0.0026738 k( 275) = ( -0.3451766 0.6548234 0.3636364), wk = 0.0026738 k( 276) = ( -0.3451766 0.6548234 0.3787879), wk = 0.0026738 k( 277) = ( -0.3451766 0.6548234 0.3939394), wk = 0.0026738 k( 278) = ( -0.3451766 0.6548234 0.4090909), wk = 0.0026738 k( 279) = ( -0.3451766 0.6548234 0.4242424), wk = 0.0026738 k( 280) = ( -0.3451766 0.6548234 0.4393939), wk = 0.0026738 k( 281) = ( -0.3451766 0.6548234 0.4545454), wk = 0.0026738 k( 282) = ( -0.3451766 0.6548234 0.4696970), wk = 0.0026738 k( 283) = ( -0.3451766 0.6548234 0.4848485), wk = 0.0026738 k( 284) = ( -0.3451766 0.6548234 0.5000000), wk = 0.0026738 k( 285) = ( -0.3451766 0.6548234 0.5000000), wk = 0.0026738 k( 286) = ( -0.3537779 0.6462221 0.5000000), wk = 0.0026738 k( 287) = ( -0.3623792 0.6376208 0.5000000), wk = 0.0026738 k( 288) = ( -0.3709805 0.6290195 0.5000000), wk = 0.0026738 k( 289) = ( -0.3795818 0.6204182 0.5000000), wk = 0.0026738 k( 290) = ( -0.3881831 0.6118169 0.5000000), wk = 0.0026738 k( 291) = ( -0.3967844 0.6032156 0.5000000), wk = 0.0026738 k( 292) = ( -0.4053857 0.5946143 0.5000000), wk = 0.0026738 k( 293) = ( -0.4139870 0.5860130 0.5000000), wk = 0.0026738 k( 294) = ( -0.4225883 0.5774117 0.5000000), wk = 0.0026738 k( 295) = ( -0.4311896 0.5688104 0.5000000), wk = 0.0026738 k( 296) = ( -0.4397909 0.5602091 0.5000000), wk = 0.0026738 k( 297) = ( -0.4483922 0.5516078 0.5000000), wk = 0.0026738 k( 298) = ( -0.4569935 0.5430065 0.5000000), wk = 0.0026738 k( 299) = ( -0.4655948 0.5344052 0.5000000), wk = 0.0026738 k( 300) = ( -0.4741961 0.5258039 0.5000000), wk = 0.0026738 k( 301) = ( -0.4827974 0.5172026 0.5000000), wk = 0.0026738 k( 302) = ( -0.4913987 0.5086013 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 0.0454546), 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: 77027 G-vectors FFT dimensions: ( 60, 60, 54) Smooth grid: 34033 G-vectors FFT dimensions: ( 45, 45, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 194, 58) NL pseudopotentials 0.33 Mb ( 97, 220) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1607) G-vector shells 0.01 Mb ( 825) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.69 Mb ( 194, 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 44.6 secs Computing kpt #: 2 total cpu time spent up to now is 48.2 secs Computing kpt #: 3 total cpu time spent up to now is 51.7 secs Computing kpt #: 4 total cpu time spent up to now is 55.0 secs Computing kpt #: 5 total cpu time spent up to now is 57.8 secs Computing kpt #: 6 total cpu time spent up to now is 60.7 secs Computing kpt #: 7 total cpu time spent up to now is 63.4 secs Computing kpt #: 8 total cpu time spent up to now is 65.9 secs Computing kpt #: 9 total cpu time spent up to now is 68.4 secs Computing kpt #: 10 total cpu time spent up to now is 71.0 secs Computing kpt #: 11 total cpu time spent up to now is 73.3 secs Computing kpt #: 12 total cpu time spent up to now is 75.6 secs Computing kpt #: 13 total cpu time spent up to now is 77.8 secs Computing kpt #: 14 total cpu time spent up to now is 80.1 secs Computing kpt #: 15 total cpu time spent up to now is 82.4 secs Computing kpt #: 16 total cpu time spent up to now is 84.9 secs Computing kpt #: 17 total cpu time spent up to now is 87.6 secs Computing kpt #: 18 total cpu time spent up to now is 90.3 secs Computing kpt #: 19 total cpu time spent up to now is 93.1 secs Computing kpt #: 20 total cpu time spent up to now is 95.9 secs Computing kpt #: 21 total cpu time spent up to now is 98.9 secs Computing kpt #: 22 total cpu time spent up to now is 102.9 secs Computing kpt #: 23 total cpu time spent up to now is 106.2 secs Computing kpt #: 24 total cpu time spent up to now is 110.0 secs Computing kpt #: 25 total cpu time spent up to now is 113.4 secs Computing kpt #: 26 total cpu time spent up to now is 116.7 secs Computing kpt #: 27 total cpu time spent up to now is 119.8 secs Computing kpt #: 28 total cpu time spent up to now is 125.5 secs Computing kpt #: 29 total cpu time spent up to now is 128.0 secs Computing kpt #: 30 total cpu time spent up to now is 131.0 secs Computing kpt #: 31 total cpu time spent up to now is 134.2 secs Computing kpt #: 32 total cpu time spent up to now is 138.1 secs Computing kpt #: 33 total cpu time spent up to now is 141.1 secs Computing kpt #: 34 total cpu time spent up to now is 145.2 secs Computing kpt #: 35 total cpu time spent up to now is 148.5 secs Computing kpt #: 36 total cpu time spent up to now is 151.6 secs Computing kpt #: 37 total cpu time spent up to now is 154.9 secs Computing kpt #: 38 total cpu time spent up to now is 157.9 secs Computing kpt #: 39 total cpu time spent up to now is 161.0 secs Computing kpt #: 40 total cpu time spent up to now is 164.0 secs Computing kpt #: 41 total cpu time spent up to now is 167.8 secs Computing kpt #: 42 total cpu time spent up to now is 170.8 secs Computing kpt #: 43 total cpu time spent up to now is 173.8 secs Computing kpt #: 44 total cpu time spent up to now is 176.8 secs Computing kpt #: 45 total cpu time spent up to now is 179.8 secs Computing kpt #: 46 total cpu time spent up to now is 183.0 secs Computing kpt #: 47 total cpu time spent up to now is 186.2 secs Computing kpt #: 48 total cpu time spent up to now is 189.3 secs Computing kpt #: 49 total cpu time spent up to now is 192.7 secs Computing kpt #: 50 total cpu time spent up to now is 197.2 secs Computing kpt #: 51 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 202.8 secs Computing kpt #: 52 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 208.6 secs Computing kpt #: 53 total cpu time spent up to now is 213.2 secs Computing kpt #: 54 total cpu time spent up to now is 216.8 secs Computing kpt #: 55 total cpu time spent up to now is 221.0 secs Computing kpt #: 56 total cpu time spent up to now is 224.3 secs Computing kpt #: 57 total cpu time spent up to now is 227.5 secs Computing kpt #: 58 total cpu time spent up to now is 230.3 secs Computing kpt #: 59 total cpu time spent up to now is 233.0 secs Computing kpt #: 60 total cpu time spent up to now is 235.7 secs Computing kpt #: 61 total cpu time spent up to now is 238.3 secs Computing kpt #: 62 total cpu time spent up to now is 240.9 secs Computing kpt #: 63 total cpu time spent up to now is 243.4 secs Computing kpt #: 64 total cpu time spent up to now is 245.9 secs Computing kpt #: 65 total cpu time spent up to now is 248.4 secs Computing kpt #: 66 total cpu time spent up to now is 251.0 secs Computing kpt #: 67 total cpu time spent up to now is 253.8 secs Computing kpt #: 68 total cpu time spent up to now is 256.5 secs Computing kpt #: 69 total cpu time spent up to now is 259.3 secs Computing kpt #: 70 total cpu time spent up to now is 262.1 secs Computing kpt #: 71 total cpu time spent up to now is 265.2 secs Computing kpt #: 72 total cpu time spent up to now is 269.2 secs Computing kpt #: 73 total cpu time spent up to now is 272.2 secs Computing kpt #: 74 total cpu time spent up to now is 275.2 secs Computing kpt #: 75 total cpu time spent up to now is 278.4 secs Computing kpt #: 76 total cpu time spent up to now is 282.0 secs Computing kpt #: 77 total cpu time spent up to now is 285.9 secs Computing kpt #: 78 total cpu time spent up to now is 289.6 secs Computing kpt #: 79 total cpu time spent up to now is 293.8 secs Computing kpt #: 80 total cpu time spent up to now is 298.1 secs Computing kpt #: 81 total cpu time spent up to now is 302.4 secs Computing kpt #: 82 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 307.9 secs Computing kpt #: 83 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 315.1 secs Computing kpt #: 84 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 320.6 secs Computing kpt #: 85 total cpu time spent up to now is 324.8 secs Computing kpt #: 86 total cpu time spent up to now is 328.1 secs Computing kpt #: 87 total cpu time spent up to now is 331.6 secs Computing kpt #: 88 total cpu time spent up to now is 335.0 secs Computing kpt #: 89 total cpu time spent up to now is 338.2 secs Computing kpt #: 90 total cpu time spent up to now is 341.2 secs Computing kpt #: 91 total cpu time spent up to now is 344.6 secs Computing kpt #: 92 total cpu time spent up to now is 347.4 secs Computing kpt #: 93 total cpu time spent up to now is 350.1 secs Computing kpt #: 94 total cpu time spent up to now is 353.1 secs Computing kpt #: 95 total cpu time spent up to now is 355.9 secs Computing kpt #: 96 total cpu time spent up to now is 358.8 secs Computing kpt #: 97 total cpu time spent up to now is 362.0 secs Computing kpt #: 98 total cpu time spent up to now is 365.6 secs Computing kpt #: 99 total cpu time spent up to now is 368.9 secs Computing kpt #: 100 total cpu time spent up to now is 372.4 secs Computing kpt #: 101 total cpu time spent up to now is 375.7 secs Computing kpt #: 102 total cpu time spent up to now is 379.0 secs Computing kpt #: 103 total cpu time spent up to now is 382.2 secs Computing kpt #: 104 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 387.2 secs Computing kpt #: 105 total cpu time spent up to now is 390.5 secs Computing kpt #: 106 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 395.5 secs Computing kpt #: 107 total cpu time spent up to now is 398.8 secs Computing kpt #: 108 total cpu time spent up to now is 402.0 secs Computing kpt #: 109 total cpu time spent up to now is 405.2 secs Computing kpt #: 110 total cpu time spent up to now is 408.4 secs Computing kpt #: 111 total cpu time spent up to now is 411.6 secs Computing kpt #: 112 total cpu time spent up to now is 414.7 secs Computing kpt #: 113 total cpu time spent up to now is 417.7 secs Computing kpt #: 114 total cpu time spent up to now is 420.9 secs Computing kpt #: 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472.3 secs Computing kpt #: 130 total cpu time spent up to now is 475.5 secs Computing kpt #: 131 total cpu time spent up to now is 478.5 secs Computing kpt #: 132 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 483.6 secs Computing kpt #: 133 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 488.5 secs Computing kpt #: 134 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 493.3 secs Computing kpt #: 135 total cpu time spent up to now is 497.7 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 503.1 secs Computing kpt #: 137 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 508.4 secs Computing kpt #: 138 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 513.4 secs Computing kpt #: 139 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 518.6 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 523.8 secs Computing kpt #: 141 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 528.7 secs Computing kpt #: 142 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 533.7 secs Computing kpt #: 143 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 539.2 secs Computing kpt #: 144 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 544.0 secs Computing kpt #: 145 total cpu time spent up to now is 548.6 secs Computing kpt #: 146 total cpu time spent up to now is 552.2 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 557.2 secs Computing kpt #: 148 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 562.5 secs Computing kpt #: 149 total cpu time spent up to now is 565.7 secs Computing kpt #: 150 total cpu time spent up to now is 569.2 secs Computing kpt #: 151 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 574.2 secs Computing kpt #: 152 total cpu time spent up to now is 577.5 secs Computing kpt #: 153 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 582.9 secs Computing kpt #: 154 total cpu time spent up to now is 586.0 secs Computing kpt #: 155 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 590.8 secs Computing kpt #: 156 total cpu time spent up to now is 595.1 secs Computing kpt #: 157 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 600.1 secs Computing kpt #: 158 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 604.9 secs Computing kpt #: 159 total cpu time spent up to now is 607.3 secs Computing kpt #: 160 total cpu time spent up to now is 610.0 secs Computing kpt #: 161 total cpu time spent up to now is 613.5 secs Computing kpt #: 162 total cpu time spent up to now is 617.1 secs Computing kpt #: 163 total cpu time spent up to now is 619.9 secs Computing kpt #: 164 total cpu time spent up to now is 622.7 secs Computing kpt #: 165 total cpu time spent up to now is 625.4 secs Computing kpt #: 166 total cpu time spent up to now is 627.8 secs Computing kpt #: 167 total cpu time spent up to now is 630.6 secs Computing kpt #: 168 total cpu time spent up to now is 633.2 secs Computing kpt #: 169 total cpu time spent up to now is 636.1 secs Computing kpt #: 170 total cpu time spent up to now is 638.8 secs Computing kpt #: 171 total cpu time spent up to now is 641.9 secs Computing kpt #: 172 total cpu time spent up to now is 644.9 secs Computing kpt #: 173 total cpu time spent up to now is 648.1 secs Computing kpt #: 174 total cpu time spent up to now is 651.4 secs Computing kpt #: 175 total cpu time spent up to now is 656.3 secs Computing kpt #: 176 total cpu time spent up to now is 659.5 secs Computing kpt #: 177 total cpu time spent up to now is 662.5 secs Computing kpt #: 178 total cpu time spent up to now is 665.3 secs Computing kpt #: 179 total cpu time spent up to now is 667.9 secs Computing kpt #: 180 total cpu time spent up to now is 670.2 secs Computing kpt #: 181 total cpu time spent up to now is 672.6 secs Computing kpt #: 182 total cpu time spent up to now is 674.9 secs Computing kpt #: 183 total cpu time spent up to now is 677.2 secs Computing kpt #: 184 total cpu time spent up to now is 679.8 secs Computing kpt #: 185 total cpu time spent up to now is 682.9 secs Computing kpt #: 186 total cpu time spent up to now is 687.1 secs Computing kpt #: 187 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 692.9 secs Computing kpt #: 188 total cpu time spent up to now is 697.2 secs Computing kpt #: 189 total cpu time spent up to now is 701.5 secs Computing kpt #: 190 total cpu time spent up to now is 704.9 secs Computing kpt #: 191 total cpu time spent up to now is 708.8 secs Computing kpt #: 192 total cpu time spent up to now is 712.2 secs Computing kpt #: 193 total cpu time spent up to now is 715.8 secs Computing kpt #: 194 total cpu time spent up to now is 719.5 secs Computing kpt #: 195 total cpu time spent up to now is 723.1 secs Computing kpt #: 196 total cpu time spent up to now is 726.6 secs Computing kpt #: 197 total cpu time spent up to now is 730.6 secs Computing kpt #: 198 total cpu time spent up to now is 734.2 secs Computing kpt #: 199 total cpu time spent up to now is 737.6 secs Computing kpt #: 200 total cpu time spent up to now is 740.8 secs Computing kpt #: 201 total cpu time spent up to now is 743.8 secs Computing kpt #: 202 total cpu time spent up to now is 746.5 secs Computing kpt #: 203 total cpu time spent up to now is 749.1 secs Computing kpt #: 204 total cpu time spent up to now is 751.8 secs Computing kpt #: 205 total cpu time spent up to now is 754.3 secs Computing kpt #: 206 total cpu time spent up to now is 757.0 secs Computing kpt #: 207 total cpu time spent up to now is 760.1 secs Computing kpt #: 208 total cpu time spent up to now is 763.4 secs Computing kpt #: 209 total cpu time spent up to now is 765.9 secs Computing kpt #: 210 total cpu time spent up to now is 768.9 secs Computing kpt #: 211 total cpu time spent up to now is 771.9 secs Computing kpt #: 212 total cpu time spent up to now is 774.8 secs Computing kpt #: 213 total cpu time spent up to now is 777.7 secs Computing kpt #: 214 total cpu time spent up to now is 780.8 secs Computing kpt #: 215 total cpu time spent up to now is 783.5 secs Computing kpt #: 216 total cpu time spent up to now is 786.7 secs Computing kpt #: 217 total cpu time spent up to now is 789.6 secs Computing kpt #: 218 total cpu time spent up to now is 792.4 secs Computing kpt #: 219 total cpu time spent up to now is 795.1 secs Computing kpt #: 220 total cpu time spent up to now is 798.0 secs Computing kpt #: 221 total cpu time spent up to now is 800.8 secs Computing kpt #: 222 total cpu time spent up to now is 803.5 secs Computing kpt #: 223 total cpu time spent up to now is 806.3 secs Computing kpt #: 224 total cpu time spent up to now is 809.2 secs Computing kpt #: 225 total cpu time spent up to now is 811.8 secs Computing kpt #: 226 total cpu time spent up to now is 814.5 secs Computing kpt #: 227 total cpu time spent up to now is 817.1 secs Computing kpt #: 228 total cpu time spent up to now is 819.9 secs Computing kpt #: 229 total cpu time spent up to now is 822.8 secs Computing kpt #: 230 total cpu time spent up to now is 825.3 secs Computing kpt #: 231 total cpu time spent up to now is 828.5 secs Computing kpt #: 232 total cpu time spent up to now is 831.0 secs Computing kpt #: 233 total cpu time spent up to now is 833.7 secs Computing kpt #: 234 total cpu time spent up to now is 836.6 secs Computing kpt #: 235 total cpu time spent up to now is 839.5 secs Computing kpt #: 236 total cpu time spent up to now is 842.3 secs Computing kpt #: 237 total cpu time spent up to now is 845.9 secs Computing kpt #: 238 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 851.5 secs Computing kpt #: 239 total cpu time spent up to now is 855.1 secs Computing kpt #: 240 total cpu time spent up to now is 858.2 secs Computing kpt #: 241 total cpu time spent up to now is 861.4 secs Computing kpt #: 242 total cpu time spent up to now is 864.5 secs Computing kpt #: 243 total cpu time spent up to now is 867.6 secs Computing kpt #: 244 total cpu time spent up to now is 870.6 secs Computing kpt #: 245 total cpu time spent up to now is 873.5 secs Computing kpt #: 246 total cpu time spent up to now is 876.5 secs Computing kpt #: 247 total cpu time spent up to now is 879.5 secs Computing kpt #: 248 total cpu time spent up to now is 882.7 secs Computing kpt #: 249 total cpu time spent up to now is 885.9 secs Computing kpt #: 250 total cpu time spent up to now is 888.9 secs Computing kpt #: 251 total cpu time spent up to now is 892.1 secs Computing kpt #: 252 total cpu time spent up to now is 895.3 secs Computing kpt #: 253 total cpu time spent up to now is 898.5 secs Computing kpt #: 254 total cpu time spent up to now is 902.3 secs Computing kpt #: 255 total cpu time spent up to now is 905.3 secs Computing kpt #: 256 total cpu time spent up to now is 908.0 secs Computing kpt #: 257 total cpu time spent up to now is 911.7 secs Computing kpt #: 258 total cpu time spent up to now is 915.5 secs Computing kpt #: 259 total cpu time spent up to now is 918.3 secs Computing kpt #: 260 total cpu time spent up to now is 920.8 secs Computing kpt #: 261 total cpu time spent up to now is 923.4 secs Computing kpt #: 262 total cpu time spent up to now is 926.7 secs Computing kpt #: 263 total cpu time spent up to now is 930.2 secs Computing kpt #: 264 total cpu time spent up to now is 932.7 secs Computing kpt #: 265 total cpu time spent up to now is 935.2 secs Computing kpt #: 266 total cpu time spent up to now is 937.9 secs Computing kpt #: 267 total cpu time spent up to now is 940.2 secs Computing kpt #: 268 total cpu time spent up to now is 942.5 secs Computing kpt #: 269 total cpu time spent up to now is 944.9 secs Computing kpt #: 270 total cpu time spent up to now is 947.4 secs Computing kpt #: 271 total cpu time spent up to now is 949.8 secs Computing kpt #: 272 total cpu time spent up to now is 952.1 secs Computing kpt #: 273 total cpu time spent up to now is 954.7 secs Computing kpt #: 274 total cpu time spent up to now is 957.1 secs Computing kpt #: 275 total cpu time spent up to now is 959.5 secs Computing kpt #: 276 total cpu time spent up to now is 962.1 secs Computing kpt #: 277 total cpu time spent up to now is 964.9 secs Computing kpt #: 278 total cpu time spent up to now is 967.3 secs Computing kpt #: 279 total cpu time spent up to now is 970.0 secs Computing kpt #: 280 total cpu time spent up to now is 972.7 secs Computing kpt #: 281 total cpu time spent up to now is 975.3 secs Computing kpt #: 282 total cpu time spent up to now is 978.3 secs Computing kpt #: 283 total cpu time spent up to now is 982.0 secs Computing kpt #: 284 total cpu time spent up to now is 985.5 secs Computing kpt #: 285 total cpu time spent up to now is 990.0 secs Computing kpt #: 286 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 995.1 secs Computing kpt #: 287 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1000.2 secs Computing kpt #: 288 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1005.5 secs Computing kpt #: 289 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1010.8 secs Computing kpt #: 290 total cpu time spent up to now is 1015.5 secs Computing kpt #: 291 total cpu time spent up to now is 1017.7 secs Computing kpt #: 292 total cpu time spent up to now is 1020.0 secs Computing kpt #: 293 total cpu time spent up to now is 1022.3 secs Computing kpt #: 294 total cpu time spent up to now is 1025.5 secs Computing kpt #: 295 total cpu time spent up to now is 1028.8 secs Computing kpt #: 296 total cpu time spent up to now is 1031.3 secs Computing kpt #: 297 total cpu time spent up to now is 1034.6 secs Computing kpt #: 298 total cpu time spent up to now is 1037.7 secs Computing kpt #: 299 total cpu time spent up to now is 1040.9 secs Computing kpt #: 300 total cpu time spent up to now is 1043.8 secs Computing kpt #: 301 total cpu time spent up to now is 1046.0 secs Computing kpt #: 302 total cpu time spent up to now is 1048.7 secs Computing kpt #: 303 total cpu time spent up to now is 1051.1 secs Computing kpt #: 304 total cpu time spent up to now is 1053.5 secs Computing kpt #: 305 total cpu time spent up to now is 1056.5 secs Computing kpt #: 306 total cpu time spent up to now is 1059.2 secs Computing kpt #: 307 total cpu time spent up to now is 1061.9 secs Computing kpt #: 308 total cpu time spent up to now is 1064.5 secs Computing kpt #: 309 total cpu time spent up to now is 1067.1 secs Computing kpt #: 310 total cpu time spent up to now is 1069.7 secs Computing kpt #: 311 total cpu time spent up to now is 1072.2 secs Computing kpt #: 312 total cpu time spent up to now is 1074.9 secs Computing kpt #: 313 total cpu time spent up to now is 1077.3 secs Computing kpt #: 314 total cpu time spent up to now is 1079.6 secs Computing kpt #: 315 total cpu time spent up to now is 1082.1 secs Computing kpt #: 316 total cpu time spent up to now is 1084.5 secs Computing kpt #: 317 total cpu time spent up to now is 1086.8 secs Computing kpt #: 318 total cpu time spent up to now is 1089.0 secs Computing kpt #: 319 total cpu time spent up to now is 1091.5 secs Computing kpt #: 320 total cpu time spent up to now is 1093.9 secs Computing kpt #: 321 total cpu time spent up to now is 1096.5 secs Computing kpt #: 322 total cpu time spent up to now is 1099.1 secs Computing kpt #: 323 total cpu time spent up to now is 1102.2 secs Computing kpt #: 324 total cpu time spent up to now is 1105.4 secs Computing kpt #: 325 total cpu time spent up to now is 1108.4 secs Computing kpt #: 326 total cpu time spent up to now is 1111.4 secs Computing kpt #: 327 total cpu time spent up to now is 1114.4 secs Computing kpt #: 328 total cpu time spent up to now is 1116.9 secs Computing kpt #: 329 total cpu time spent up to now is 1119.3 secs Computing kpt #: 330 total cpu time spent up to now is 1121.7 secs Computing kpt #: 331 total cpu time spent up to now is 1124.5 secs Computing kpt #: 332 total cpu time spent up to now is 1127.5 secs Computing kpt #: 333 total cpu time spent up to now is 1130.3 secs Computing kpt #: 334 total cpu time spent up to now is 1133.0 secs Computing kpt #: 335 total cpu time spent up to now is 1135.5 secs Computing kpt #: 336 total cpu time spent up to now is 1138.1 secs Computing kpt #: 337 total cpu time spent up to now is 1140.8 secs Computing kpt #: 338 total cpu time spent up to now is 1143.0 secs Computing kpt #: 339 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1147.9 secs Computing kpt #: 340 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1152.6 secs Computing kpt #: 341 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1157.5 secs Computing kpt #: 342 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1162.6 secs Computing kpt #: 343 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1167.5 secs Computing kpt #: 344 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1172.3 secs Computing kpt #: 345 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1177.1 secs Computing kpt #: 346 total cpu time spent up to now is 1182.1 secs Computing kpt #: 347 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1187.1 secs Computing kpt #: 348 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1192.0 secs Computing kpt #: 349 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1196.8 secs Computing kpt #: 350 total cpu time spent up to now is 1201.3 secs Computing kpt #: 351 total cpu time spent up to now is 1204.7 secs Computing kpt #: 352 total cpu time spent up to now is 1209.9 secs Computing kpt #: 353 total cpu time spent up to now is 1214.7 secs Computing kpt #: 354 total cpu time spent up to now is 1218.6 secs Computing kpt #: 355 total cpu time spent up to now is 1221.8 secs Computing kpt #: 356 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1227.1 secs Computing kpt #: 357 total cpu time spent up to now is 1231.1 secs Computing kpt #: 358 total cpu time spent up to now is 1234.6 secs Computing kpt #: 359 total cpu time spent up to now is 1237.8 secs Computing kpt #: 360 total cpu time spent up to now is 1241.3 secs Computing kpt #: 361 total cpu time spent up to now is 1246.1 secs Computing kpt #: 362 total cpu time spent up to now is 1249.9 secs Computing kpt #: 363 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1254.8 secs Computing kpt #: 364 total cpu time spent up to now is 1258.5 secs Computing kpt #: 365 total cpu time spent up to now is 1261.9 secs Computing kpt #: 366 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1267.1 secs Computing kpt #: 367 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1272.6 secs Computing kpt #: 368 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1278.9 secs Computing kpt #: 369 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1284.1 secs Computing kpt #: 370 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1288.9 secs Computing kpt #: 371 total cpu time spent up to now is 1294.0 secs Computing kpt #: 372 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1299.0 secs Computing kpt #: 373 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1304.2 secs Computing kpt #: 374 total cpu time spent up to now is 1306.5 secs ethr = 2.08E-11, avg # of iterations = 56.3 total cpu time spent up to now is 1306.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4271 PWs) bands (ev): -13.6012 -13.6012 -13.0010 -13.0010 -10.7088 -10.7088 -9.0777 -9.0777 -8.8109 -8.8109 -8.7759 -8.7759 -3.2990 -3.2990 -3.1485 -3.1485 -2.8396 -2.8396 -0.5656 -0.5656 -0.0064 -0.0064 0.1027 0.1027 0.4473 0.4473 1.1857 1.1857 1.6169 1.6169 2.3237 2.3237 2.8191 2.8191 3.5299 3.5299 3.6976 3.6976 3.9111 3.9111 4.0072 4.0072 4.5709 4.5709 4.7463 4.7463 5.5669 5.5669 10.9595 10.9595 12.1743 12.1743 12.3486 12.3486 13.0876 13.0876 13.8751 13.8751 k = 0.0086 0.0140-0.0000 ( 4275 PWs) bands (ev): -13.6009 -13.6008 -13.0010 -13.0010 -10.7082 -10.7082 -9.0902 -9.0883 -8.8025 -8.8001 -8.7756 -8.7753 -3.3085 -3.3080 -3.1371 -3.1361 -2.8387 -2.8385 -0.5662 -0.5654 -0.0075 -0.0072 0.1006 0.1009 0.4467 0.4473 1.1903 1.1919 1.6155 1.6163 2.3217 2.3226 2.8189 2.8193 3.5278 3.5283 3.6977 3.6977 3.9091 3.9110 4.0037 4.0056 4.5710 4.5711 4.7463 4.7466 5.5659 5.5663 10.9624 10.9625 12.1749 12.1751 12.3500 12.3504 13.0878 13.0887 13.8725 13.8735 k = 0.0173 0.0280-0.0000 ( 4269 PWs) bands (ev): -13.5998 -13.5998 -13.0011 -13.0011 -10.7065 -10.7064 -9.1216 -9.1186 -8.7791 -8.7752 -8.7737 -8.7730 -3.3304 -3.3298 -3.1076 -3.1060 -2.8359 -2.8355 -0.5674 -0.5659 -0.0105 -0.0097 0.0947 0.0954 0.4458 0.4469 1.2054 1.2086 1.6120 1.6135 2.3165 2.3182 2.8186 2.8195 3.5219 3.5229 3.6982 3.6982 3.9050 3.9089 3.9952 3.9993 4.5714 4.5716 4.7465 4.7470 5.5636 5.5642 10.9712 10.9713 12.1768 12.1773 12.3546 12.3555 13.0894 13.0910 13.8655 13.8675 k = 0.0259 0.0420-0.0000 ( 4267 PWs) bands (ev): -13.5981 -13.5981 -13.0012 -13.0012 -10.7036 -10.7035 -9.1648 -9.1613 -8.7728 -8.7718 -8.7453 -8.7404 -3.3566 -3.3561 -3.0683 -3.0663 -2.8311 -2.8305 -0.5694 -0.5671 -0.0153 -0.0142 0.0856 0.0866 0.4452 0.4468 1.2301 1.2347 1.6064 1.6086 2.3081 2.3107 2.8183 2.8197 3.5125 3.5140 3.6990 3.6991 3.8981 3.9046 3.9820 3.9886 4.5722 4.5725 4.7467 4.7474 5.5598 5.5608 10.9859 10.9860 12.1800 12.1807 12.3623 12.3637 13.0923 13.0947 13.8533 13.8560 k = 0.0345 0.0559-0.0000 ( 4275 PWs) bands (ev): -13.5958 -13.5957 -13.0015 -13.0015 -10.6995 -10.6993 -9.2152 -9.2114 -8.7700 -8.7687 -8.7092 -8.7035 -3.3831 -3.3827 -3.0235 -3.0213 -2.8244 -2.8236 -0.5727 -0.5696 -0.0220 -0.0205 0.0741 0.0752 0.4458 0.4477 1.2632 1.2690 1.5987 1.6016 2.2964 2.2999 2.8178 2.8197 3.4998 3.5019 3.7001 3.7003 3.8878 3.8974 3.9649 3.9748 4.5733 4.5736 4.7467 4.7476 5.5548 5.5561 11.0062 11.0064 12.1845 12.1854 12.3729 12.3748 13.0966 13.0997 13.8350 13.8382 k = 0.0431 0.0699-0.0000 ( 4269 PWs) bands (ev): -13.5928 -13.5927 -13.0018 -13.0017 -10.6942 -10.6940 -9.2699 -9.2662 -8.7664 -8.7648 -8.6722 -8.6660 -3.4080 -3.4078 -2.9751 -2.9726 -2.8157 -2.8147 -0.5778 -0.5738 -0.0306 -0.0287 0.0614 0.0625 0.4484 0.4504 1.3034 1.3102 1.5889 1.5924 2.2817 2.2859 2.8171 2.8196 3.4841 3.4868 3.7016 3.7018 3.8728 3.8856 3.9459 3.9592 4.5747 4.5751 4.7463 4.7474 5.5486 5.5503 11.0320 11.0323 12.1901 12.1913 12.3864 12.3887 13.1026 13.1063 13.8106 13.8141 k = 0.0518 0.0839-0.0000 ( 4263 PWs) bands (ev): -13.5891 -13.5890 -13.0021 -13.0021 -10.6877 -10.6875 -9.3276 -9.3240 -8.7621 -8.7601 -8.6359 -8.6293 -3.4306 -3.4305 -2.9239 -2.9212 -2.8051 -2.8039 -0.5853 -0.5805 -0.0411 -0.0389 0.0488 0.0500 0.4534 0.4556 1.3492 1.3569 1.5769 1.5811 2.2637 2.2687 2.8162 2.8192 3.4661 3.4693 3.7035 3.7038 3.8515 3.8665 3.9280 3.9436 4.5764 4.5769 4.7450 4.7462 5.5415 5.5435 11.0632 11.0635 12.1969 12.1984 12.4024 12.4052 13.1103 13.1145 13.7809 13.7845 k = 0.0604 0.0979-0.0000 ( 4263 PWs) bands (ev): -13.5848 -13.5847 -13.0025 -13.0025 -10.6801 -10.6799 -9.3874 -9.3839 -8.7569 -8.7547 -8.6013 -8.5943 -3.4506 -3.4503 -2.8706 -2.8677 -2.7925 -2.7911 -0.5960 -0.5904 -0.0536 -0.0510 0.0380 0.0390 0.4611 0.4634 1.3996 1.4080 1.5627 1.5676 2.2426 2.2483 2.8148 2.8185 3.4461 3.4498 3.7058 3.7062 3.8232 3.8383 3.9134 3.9293 4.5785 4.5791 4.7424 4.7438 5.5336 5.5359 11.0995 11.0998 12.2046 12.2064 12.4208 12.4240 13.1198 13.1244 13.7474 13.7510 k = 0.0690 0.1119-0.0000 ( 4267 PWs) bands (ev): -13.5798 -13.5798 -13.0030 -13.0029 -10.6712 -10.6710 -9.4488 -9.4454 -8.7510 -8.7485 -8.5688 -8.5615 -3.4676 -3.4671 -2.8156 -2.8125 -2.7780 -2.7764 -0.6105 -0.6040 -0.0682 -0.0652 0.0303 0.0311 0.4717 0.4742 1.4533 1.4623 1.5464 1.5519 2.2184 2.2247 2.8130 2.8174 3.4246 3.4288 3.7084 3.7092 3.7884 3.8019 3.9015 3.9164 4.5810 4.5817 4.7383 4.7398 5.5251 5.5277 11.1405 11.1409 12.2132 12.2152 12.4412 12.4448 13.1313 13.1362 13.7117 13.7152 k = 0.0777 0.1259-0.0000 ( 4255 PWs) bands (ev): -13.5743 -13.5742 -13.0035 -13.0034 -10.6612 -10.6609 -9.5113 -9.5081 -8.7443 -8.7415 -8.5387 -8.5312 -3.4815 -3.4808 -2.7618 -2.7599 -2.7590 -2.7558 -0.6291 -0.6219 -0.0847 -0.0814 0.0270 0.0276 0.4853 0.4879 1.5095 1.5185 1.5284 1.5339 2.1911 2.1980 2.8106 2.8157 3.4021 3.4069 3.7106 3.7126 3.7485 3.7595 3.8909 3.9044 4.5839 4.5847 4.7323 4.7339 5.5161 5.5191 11.1861 11.1866 12.2225 12.2248 12.4635 12.4675 13.1449 13.1500 13.6753 13.6787 k = 0.0863 0.1399-0.0000 ( 4259 PWs) bands (ev): -13.5682 -13.5681 -13.0040 -13.0040 -10.6499 -10.6496 -9.5747 -9.5716 -8.7370 -8.7338 -8.5114 -8.5036 -3.4923 -3.4914 -2.7434 -2.7413 -2.7015 -2.6981 -0.6520 -0.6441 -0.1035 -0.0997 0.0288 0.0291 0.5018 0.5044 1.5066 1.5134 1.5678 1.5779 2.1608 2.1682 2.8075 2.8134 3.3791 3.3845 3.6961 3.7104 3.7185 3.7212 3.8805 3.8930 4.5872 4.5880 4.7239 4.7257 5.5069 5.5102 11.2358 11.2364 12.2323 12.2350 12.4874 12.4918 13.1606 13.1657 13.6394 13.6425 k = 0.0949 0.1538-0.0000 ( 4259 PWs) bands (ev): -13.5615 -13.5614 -13.0047 -13.0046 -10.6374 -10.6371 -9.6386 -9.6357 -8.7289 -8.7254 -8.4869 -8.4789 -3.4999 -3.4988 -2.7232 -2.7209 -2.6429 -2.6394 -0.6789 -0.6704 -0.1244 -0.1202 0.0361 0.0362 0.5211 0.5239 1.4834 1.4907 1.6270 1.6375 2.1277 2.1356 2.8036 2.8103 3.3560 3.3620 3.6491 3.6609 3.7220 3.7232 3.8700 3.8816 4.5909 4.5918 4.7131 4.7150 5.4975 5.5012 11.2893 11.2900 12.2425 12.2455 12.5129 12.5176 13.1784 13.1834 13.6050 13.6079 k = 0.1036 0.1678-0.0000 ( 4253 PWs) bands (ev): -13.5543 -13.5542 -13.0053 -13.0053 -10.6238 -10.6234 -9.7029 -9.7002 -8.7201 -8.7164 -8.4654 -8.4572 -3.5044 -3.5031 -2.7011 -2.6987 -2.5835 -2.5800 -0.7093 -0.7005 -0.1475 -0.1430 0.0487 0.0488 0.5433 0.5463 1.4576 1.4655 1.6870 1.6978 2.0919 2.1002 2.7988 2.8064 3.3331 3.3396 3.5967 3.6073 3.7276 3.7284 3.8592 3.8701 4.5951 4.5961 4.6997 4.7016 5.4880 5.4920 11.3463 11.3471 12.2529 12.2562 12.5397 12.5448 13.1981 13.2028 13.5731 13.5758 k = 0.1122 0.1818-0.0000 ( 4247 PWs) bands (ev): -13.5466 -13.5465 -13.0060 -13.0060 -10.6088 -10.6084 -9.7674 -9.7648 -8.7108 -8.7067 -8.4468 -8.4385 -3.5059 -3.5045 -2.6771 -2.6745 -2.5237 -2.5200 -0.7427 -0.7335 -0.1729 -0.1681 0.0665 0.0665 0.5684 0.5716 1.4294 1.4377 1.7471 1.7582 2.0535 2.0623 2.7930 2.8015 3.3103 3.3173 3.5421 3.5518 3.7341 3.7348 3.8480 3.8584 4.5998 4.6008 4.6835 4.6855 5.4784 5.4826 11.4063 11.4073 12.2633 12.2669 12.5679 12.5733 13.2191 13.2234 13.5447 13.5470 k = 0.1208 0.1958-0.0000 ( 4247 PWs) bands (ev): -13.5384 -13.5383 -13.0068 -13.0068 -10.5927 -10.5922 -9.8320 -9.8295 -8.7008 -8.6964 -8.4313 -8.4228 -3.5046 -3.5031 -2.6513 -2.6485 -2.4634 -2.4597 -0.7782 -0.7688 -0.2007 -0.1955 0.0890 0.0890 0.5964 0.5998 1.3985 1.4072 1.8070 1.8184 2.0129 2.0220 2.7863 2.7956 3.2874 3.2949 3.4865 3.4956 3.7415 3.7422 3.8364 3.8463 4.6050 4.6061 4.6645 4.6665 5.4685 5.4731 11.4690 11.4702 12.2736 12.2775 12.5974 12.6031 13.2408 13.2444 13.5211 13.5229 k = 0.1294 0.2098-0.0000 ( 4247 PWs) bands (ev): -13.5298 -13.5297 -13.0076 -13.0076 -10.5753 -10.5748 -9.8964 -9.8941 -8.6903 -8.6856 -8.4187 -8.4100 -3.5007 -3.4990 -2.6237 -2.6207 -2.4030 -2.3992 -0.8151 -0.8056 -0.2310 -0.2254 0.1155 0.1155 0.6273 0.6309 1.3648 1.3740 1.8664 1.8780 1.9703 1.9798 2.7786 2.7887 3.2635 3.2715 3.4316 3.4404 3.7500 3.7507 3.8243 3.8338 4.6107 4.6119 4.6428 4.6449 5.4584 5.4633 11.5340 11.5353 12.2835 12.2877 12.6282 12.6341 13.2618 13.2646 13.5037 13.5049 k = 0.1381 0.2238-0.0000 ( 4255 PWs) bands (ev): -13.5208 -13.5207 -13.0085 -13.0084 -10.5567 -10.5561 -9.9606 -9.9585 -8.6792 -8.6743 -8.4089 -8.4002 -3.4943 -3.4926 -2.5942 -2.5910 -2.3426 -2.3388 -0.8527 -0.8431 -0.2636 -0.2577 0.1455 0.1456 0.6612 0.6650 1.3283 1.3379 1.9235 1.9274 1.9355 1.9371 2.7699 2.7808 3.2369 3.2450 3.3801 3.3887 3.7595 3.7604 3.8119 3.8210 4.6170 4.6177 4.6191 4.6207 5.4479 5.4530 11.6008 11.6024 12.2928 12.2975 12.6601 12.6664 13.2804 13.2821 13.4947 13.4950 k = 0.1467 0.2378-0.0000 ( 4251 PWs) bands (ev): -13.5114 -13.5112 -13.0093 -13.0093 -10.5368 -10.5362 -10.0244 -10.0224 -8.6677 -8.6625 -8.4021 -8.3933 -3.4858 -3.4840 -2.5629 -2.5595 -2.2824 -2.2785 -0.8903 -0.8807 -0.2988 -0.2925 0.1785 0.1787 0.6980 0.7021 1.2889 1.2988 1.8804 1.8905 1.9823 1.9944 2.7603 2.7719 3.2043 3.2124 3.3356 3.3443 3.7697 3.7713 3.7997 3.8080 4.5917 4.5939 4.6240 4.6253 5.4369 5.4423 11.6692 11.6709 12.3016 12.3066 12.6931 12.6997 13.2945 13.2952 13.4954 13.4960 k = 0.1553 0.2517-0.0000 ( 4263 PWs) bands (ev): -13.5016 -13.5015 -13.0102 -13.0102 -10.5156 -10.5150 -10.0877 -10.0859 -8.6558 -8.6504 -8.3979 -8.3891 -3.4755 -3.4736 -2.5299 -2.5263 -2.2224 -2.2185 -0.9274 -0.9178 -0.3364 -0.3299 0.2140 0.2143 0.7378 0.7423 1.2464 1.2566 1.8340 1.8443 2.0384 2.0506 2.7497 2.7620 3.1631 3.1710 3.3012 3.3102 3.7766 3.7823 3.7918 3.7958 4.5627 4.5648 4.6316 4.6329 5.4252 5.4308 11.7386 11.7406 12.3097 12.3151 12.7270 12.7338 13.3032 13.3035 13.5071 13.5084 k = 0.1640 0.2657-0.0000 ( 4255 PWs) bands (ev): -13.4916 -13.4914 -13.0112 -13.0111 -10.4932 -10.4925 -10.1505 -10.1487 -8.6436 -8.6379 -8.3963 -8.3875 -3.4635 -3.4616 -2.4951 -2.4913 -2.1629 -2.1591 -0.9635 -0.9539 -0.3765 -0.3697 0.2515 0.2519 0.7807 0.7855 1.2006 1.2111 1.7870 1.7976 2.0928 2.1052 2.7384 2.7512 3.1140 3.1217 3.2765 3.2859 3.7682 3.7784 3.7997 3.8003 4.5315 4.5337 4.6399 4.6413 5.4127 5.4185 11.8087 11.8110 12.3169 12.3227 12.7612 12.7683 13.3079 13.3088 13.5289 13.5305 k = 0.1726 0.2797-0.0000 ( 4257 PWs) bands (ev): -13.4812 -13.4811 -13.0121 -13.0121 -10.4695 -10.4687 -10.2125 -10.2109 -8.6311 -8.6251 -8.3972 -8.3883 -3.4503 -3.4483 -2.4586 -2.4546 -2.1041 -2.1002 -0.9980 -0.9884 -0.4191 -0.4119 0.2905 0.2911 0.8266 0.8317 1.1516 1.1623 1.7398 1.7507 2.1456 2.1581 2.7263 2.7396 3.0603 3.0677 3.2588 3.2685 3.7550 3.7649 3.8147 3.8150 4.4984 4.5006 4.6489 4.6503 5.3992 5.4052 11.8793 11.8818 12.3234 12.3296 12.7951 12.8025 13.3122 13.3135 13.5583 13.5600 k = 0.1812 0.2937-0.0000 ( 4249 PWs) bands (ev): -13.4707 -13.4706 -13.0131 -13.0130 -10.4445 -10.4437 -10.2738 -10.2723 -8.6183 -8.6121 -8.4003 -8.3915 -3.4361 -3.4342 -2.4204 -2.4162 -2.0460 -2.0422 -1.0305 -1.0211 -0.4640 -0.4566 0.3307 0.3314 0.8755 0.8809 1.0991 1.1099 1.6929 1.7040 2.1964 2.2091 2.7136 2.7273 3.0046 3.0119 3.2455 3.2554 3.7409 3.7507 3.8319 3.8321 4.4637 4.4659 4.6587 4.6601 5.3846 5.3908 11.9499 11.9527 12.3291 12.3357 12.8276 12.8353 13.3193 13.3208 13.5928 13.5943 k = 0.1898 0.3077-0.0000 ( 4249 PWs) bands (ev): -13.4600 -13.4598 -13.0140 -13.0140 -10.4182 -10.4174 -10.3342 -10.3328 -8.6054 -8.5989 -8.4056 -8.3969 -3.4214 -3.4195 -2.3806 -2.3762 -1.9888 -1.9851 -1.0607 -1.0514 -0.5112 -0.5035 0.3717 0.3726 0.9274 0.9331 1.0432 1.0541 1.6465 1.6578 2.2453 2.2581 2.7002 2.7141 2.9489 2.9561 3.2349 3.2449 3.7266 3.7362 3.8510 3.8510 4.4275 4.4297 4.6692 4.6707 5.3688 5.3751 12.0203 12.0234 12.3341 12.3411 12.8574 12.8653 13.3318 13.3333 13.6304 13.6317 k = 0.1985 0.3217-0.0000 ( 4245 PWs) bands (ev): -13.4491 -13.4490 -13.0150 -13.0149 -10.3940 -10.3925 -10.3904 -10.3897 -8.5925 -8.5857 -8.4129 -8.4042 -3.4064 -3.4045 -2.3391 -2.3346 -1.9326 -1.9290 -1.0883 -1.0791 -0.5606 -0.5527 0.4132 0.4142 0.9820 0.9838 0.9881 0.9947 1.6010 1.6124 2.2920 2.3050 2.6860 2.7001 2.8944 2.9015 3.2261 3.2361 3.7122 3.7217 3.8720 3.8720 4.3900 4.3922 4.6806 4.6822 5.3518 5.3583 12.0902 12.0936 12.3385 12.3459 12.8832 12.8911 13.3518 13.3535 13.6698 13.6708 k = 0.2071 0.3357-0.0000 ( 4249 PWs) bands (ev): -13.4381 -13.4380 -13.0159 -13.0159 -10.4521 -10.4509 -10.3619 -10.3609 -8.5795 -8.5726 -8.4220 -8.4133 -3.3915 -3.3896 -2.2961 -2.2913 -1.8777 -1.8741 -1.1129 -1.1038 -0.6119 -0.6037 0.4549 0.4561 0.9208 0.9317 1.0393 1.0457 1.5565 1.5680 2.3366 2.3498 2.6708 2.6850 2.8423 2.8492 3.2184 3.2283 3.6978 3.7074 3.8948 3.8950 4.3514 4.3535 4.6929 4.6945 5.3335 5.3401 12.1595 12.1631 12.3423 12.3501 12.9039 12.9116 13.3807 13.3827 13.7099 13.7106 k = 0.2157 0.3496-0.0000 ( 4249 PWs) bands (ev): -13.4271 -13.4270 -13.0168 -13.0168 -10.5095 -10.5084 -10.3318 -10.3308 -8.5667 -8.5595 -8.4326 -8.4241 -3.3770 -3.3752 -2.2515 -2.2466 -1.8240 -1.8206 -1.1342 -1.1252 -0.6649 -0.6566 0.4966 0.4980 0.8546 0.8654 1.0991 1.1059 1.5131 1.5248 2.3791 2.3924 2.6541 2.6680 2.7936 2.8003 3.2112 3.2210 3.6837 3.6932 3.9196 3.9199 4.3119 4.3140 4.7060 4.7077 5.3138 5.3205 12.2279 12.2318 12.3458 12.3540 12.9190 12.9264 13.4190 13.4214 13.7498 13.7503 k = 0.2244 0.3636-0.0000 ( 4251 PWs) bands (ev): -13.4161 -13.4159 -13.0177 -13.0177 -10.5657 -10.5646 -10.3005 -10.2994 -8.5541 -8.5467 -8.4448 -8.4364 -3.3632 -3.3614 -2.2055 -2.2005 -1.7719 -1.7687 -1.1520 -1.1431 -0.7194 -0.7109 0.5381 0.5396 0.7851 0.7957 1.1612 1.1683 1.4711 1.4828 2.4195 2.4329 2.6349 2.6479 2.7502 2.7560 3.2043 3.2138 3.6700 3.6795 3.9464 3.9467 4.2716 4.2737 4.7201 4.7218 5.2929 5.2997 12.2952 12.2994 12.3490 12.3576 12.9287 12.9358 13.4663 13.4691 13.7887 13.7891 k = 0.2330 0.3776-0.0000 ( 4259 PWs) bands (ev): -13.4051 -13.4049 -13.0186 -13.0185 -10.6206 -10.6197 -10.2679 -10.2668 -8.5417 -8.5341 -8.4582 -8.4499 -3.3504 -3.3487 -2.1582 -2.1529 -1.7214 -1.7183 -1.1660 -1.1573 -0.7752 -0.7665 0.5790 0.5807 0.7126 0.7230 1.2253 1.2327 1.4303 1.4421 2.4579 2.4714 2.6117 2.6227 2.7143 2.7182 3.1973 3.2065 3.6568 3.6662 3.9752 3.9756 4.2308 4.2329 4.7350 4.7368 5.2706 5.2775 12.3519 12.3597 12.3627 12.3660 12.9339 12.9407 13.5214 13.5247 13.8244 13.8264 k = 0.2416 0.3916-0.0000 ( 4251 PWs) bands (ev): -13.3941 -13.3940 -13.0194 -13.0193 -10.6743 -10.6735 -10.2341 -10.2329 -8.5298 -8.5220 -8.4727 -8.4646 -3.3388 -3.3371 -2.1095 -2.1041 -1.6727 -1.6698 -1.1761 -1.1675 -0.8317 -0.8230 0.6193 0.6212 0.6372 0.6474 1.2911 1.2989 1.3907 1.4026 2.4942 2.5079 2.5834 2.5915 2.6869 2.6882 3.1898 3.1986 3.6443 3.6536 4.0058 4.0064 4.1897 4.1916 4.7510 4.7528 5.2471 5.2540 12.3551 12.3646 12.4258 12.4307 12.9359 12.9423 13.5828 13.5866 13.7945 13.8049 k = 0.2503 0.4056-0.0000 ( 4247 PWs) bands (ev): -13.3833 -13.3831 -13.0201 -13.0201 -10.7267 -10.7259 -10.1991 -10.1978 -8.5183 -8.5103 -8.4881 -8.4802 -3.3286 -3.3270 -2.0597 -2.0542 -1.6260 -1.6233 -1.1821 -1.1736 -0.8888 -0.8799 0.5594 0.5693 0.6587 0.6608 1.3524 1.3574 1.3653 1.3666 2.5287 2.5424 2.5508 2.5561 2.6655 2.6666 3.1815 3.1898 3.6326 3.6419 4.0384 4.0390 4.1483 4.1502 4.7679 4.7697 5.2224 5.2294 12.3584 12.3683 12.4882 12.4933 12.9358 12.9419 13.6488 13.6530 13.7434 13.7530 k = 0.2589 0.4196-0.0000 ( 4251 PWs) bands (ev): -13.3726 -13.3725 -13.0208 -13.0208 -10.7777 -10.7769 -10.1629 -10.1615 -8.5074 -8.5044 -8.4993 -8.4966 -3.3200 -3.3184 -2.0088 -2.0032 -1.5815 -1.5790 -1.1838 -1.1755 -0.9458 -0.9369 0.4792 0.4888 0.6971 0.6994 1.3150 1.3267 1.4271 1.4354 2.5158 2.5191 2.5615 2.5754 2.6481 2.6507 3.1723 3.1801 3.6219 3.6311 4.0727 4.0734 4.1069 4.1086 4.7857 4.7876 5.1967 5.2037 12.3619 12.3722 12.5475 12.5529 12.9353 12.9411 13.6866 13.6955 13.7180 13.7226 k = 0.2675 0.4336-0.0000 ( 4247 PWs) bands (ev): -13.3621 -13.3620 -13.0214 -13.0214 -10.8272 -10.8266 -10.1255 -10.1240 -8.5212 -8.5137 -8.4973 -8.4890 -3.3130 -3.3114 -1.9571 -1.9514 -1.5392 -1.5369 -1.1812 -1.1730 -1.0025 -0.9935 0.3971 0.4064 0.7342 0.7367 1.2785 1.2902 1.4964 1.5051 2.4803 2.4825 2.5927 2.6067 2.6343 2.6376 3.1620 3.1691 3.6124 3.6214 4.0655 4.0669 4.1089 4.1099 4.8044 4.8065 5.1699 5.1770 12.3658 12.3765 12.6025 12.6080 12.9364 12.9419 13.6262 13.6346 13.7878 13.7929 k = 0.2761 0.4475-0.0000 ( 4239 PWs) bands (ev): -13.3519 -13.3517 -13.0219 -13.0219 -10.8753 -10.8747 -10.0870 -10.0854 -8.5386 -8.5312 -8.4880 -8.4796 -3.3078 -3.3062 -1.9048 -1.8990 -1.4994 -1.4973 -1.1743 -1.1663 -1.0581 -1.0490 0.3133 0.3223 0.7699 0.7725 1.2427 1.2544 1.5663 1.5752 2.4456 2.4471 2.6196 2.6256 2.6257 2.6374 3.1504 3.1567 3.6040 3.6129 4.0245 4.0257 4.1466 4.1477 4.8241 4.8262 5.1423 5.1494 12.3700 12.3811 12.6505 12.6560 12.9420 12.9470 13.5635 13.5714 13.8559 13.8614 k = 0.2848 0.4615-0.0000 ( 4243 PWs) bands (ev): -13.3419 -13.3417 -13.0223 -13.0223 -10.9219 -10.9213 -10.0474 -10.0456 -8.5563 -8.5491 -8.4797 -8.4712 -3.3043 -3.3028 -1.8523 -1.8465 -1.4621 -1.4602 -1.1634 -1.1553 -1.1118 -1.1028 0.2283 0.2369 0.8039 0.8068 1.2073 1.2191 1.6364 1.6456 2.4124 2.4134 2.6123 2.6158 2.6518 2.6658 3.1374 3.1428 3.5968 3.6057 3.9839 3.9848 4.1859 4.1871 4.8447 4.8469 5.1140 5.1210 12.3747 12.3862 12.6884 12.6934 12.9559 12.9601 13.5000 13.5075 13.9170 13.9224 k = 0.2934 0.4755-0.0000 ( 4243 PWs) bands (ev): -13.3322 -13.3320 -13.0227 -13.0227 -10.9669 -10.9664 -10.0067 -10.0049 -8.5742 -8.5673 -8.4724 -8.4638 -3.3025 -3.3010 -1.8003 -1.7945 -1.4272 -1.4256 -1.1647 -1.1541 -1.1467 -1.1403 0.1422 0.1504 0.8361 0.8392 1.1722 1.1840 1.7063 1.7158 2.3808 2.3816 2.6038 2.6069 2.6793 2.6935 3.1229 3.1275 3.5909 3.5996 3.9439 3.9444 4.2266 4.2280 4.8661 4.8684 5.0850 5.0919 12.3798 12.3917 12.7129 12.7170 12.9814 12.9843 13.4369 13.4440 13.9619 13.9662 k = 0.3020 0.4895-0.0000 ( 4249 PWs) bands (ev): -13.3228 -13.3227 -13.0229 -13.0229 -11.0103 -11.0098 -9.9650 -9.9630 -8.5922 -8.5855 -8.4663 -8.4576 -3.3023 -3.3008 -1.7498 -1.7441 -1.3947 -1.3932 -1.2111 -1.2013 -1.1288 -1.1218 0.0554 0.0633 0.8664 0.8696 1.1371 1.1489 1.7758 1.7856 2.3512 2.3519 2.5964 2.5989 2.7060 2.7203 3.1071 3.1107 3.5861 3.5948 3.9047 3.9047 4.2686 4.2702 4.8883 4.8907 5.0555 5.0624 12.3853 12.3974 12.7238 12.7268 13.0189 13.0204 13.3751 13.3819 13.9886 13.9915 k = 0.3107 0.5035-0.0000 ( 4251 PWs) bands (ev): -13.3138 -13.3137 -13.0230 -13.0230 -11.0521 -11.0516 -9.9223 -9.9203 -8.6102 -8.6037 -8.4616 -8.4528 -3.3036 -3.3022 -1.7024 -1.6969 -1.3643 -1.3629 -1.2524 -1.2425 -1.1069 -1.1002 -0.0318 -0.0243 0.8945 0.8979 1.1018 1.1136 1.8445 1.8545 2.3237 2.3244 2.5900 2.5918 2.7320 2.7463 3.0899 3.0924 3.5824 3.5912 3.8658 3.8664 4.3118 4.3135 4.9111 4.9137 5.0258 5.0326 12.3911 12.4035 12.7236 12.7257 13.0655 13.0658 13.3156 13.3220 14.0045 14.0065 k = 0.3193 0.5175-0.0000 ( 4247 PWs) bands (ev): -13.3052 -13.3051 -13.0230 -13.0230 -11.0922 -11.0918 -9.8787 -9.8766 -8.6280 -8.6218 -8.4582 -8.4494 -3.3064 -3.3050 -1.6612 -1.6560 -1.3358 -1.3344 -1.2846 -1.2744 -1.0825 -1.0760 -0.1191 -0.1119 0.9205 0.9239 1.0661 1.0780 1.9122 1.9223 2.2983 2.2990 2.5845 2.5855 2.7574 2.7717 3.0714 3.0729 3.5796 3.5886 3.8280 3.8292 4.3561 4.3580 4.9346 4.9372 4.9958 5.0025 12.3970 12.4095 12.7157 12.7171 13.1172 13.1178 13.2592 13.2653 14.0146 14.0160 k = 0.3279 0.5315-0.0000 ( 4249 PWs) bands (ev): -13.2970 -13.2969 -13.0229 -13.0228 -11.1306 -11.1303 -9.8343 -9.8321 -8.6456 -8.6397 -8.4564 -8.4476 -3.3104 -3.3091 -1.6309 -1.6260 -1.3102 -1.3074 -1.3013 -1.2922 -1.0560 -1.0498 -0.2061 -0.1993 0.9441 0.9476 1.0298 1.0417 1.9783 1.9887 2.2749 2.2757 2.5799 2.5799 2.7823 2.7966 3.0519 3.0523 3.5775 3.5869 3.7912 3.7934 4.4013 4.4033 4.9586 4.9613 4.9658 4.9725 12.4028 12.4155 12.7027 12.7037 13.1719 13.1734 13.2068 13.2124 14.0209 14.0219 k = 0.3365 0.5454-0.0000 ( 4247 PWs) bands (ev): -13.2892 -13.2891 -13.0226 -13.0226 -11.1673 -11.1670 -9.7892 -9.7868 -8.6629 -8.6573 -8.4563 -8.4475 -3.3155 -3.3142 -1.6165 -1.6119 -1.3024 -1.2908 -1.2820 -1.2816 -1.0281 -1.0223 -0.2926 -0.2861 0.9653 0.9687 0.9929 1.0047 2.0428 2.0533 2.2537 2.2546 2.5750 2.5761 2.8067 2.8210 3.0307 3.0315 3.5758 3.5859 3.7559 3.7592 4.4471 4.4494 4.9359 4.9423 4.9830 4.9859 12.4083 12.4209 12.6865 12.6872 13.1583 13.1638 13.2293 13.2309 14.0243 14.0250 k = 0.3452 0.5594-0.0000 ( 4243 PWs) bands (ev): -13.2819 -13.2818 -13.0222 -13.0222 -11.2023 -11.2020 -9.7433 -9.7408 -8.6798 -8.6744 -8.4579 -8.4491 -3.3215 -3.3202 -1.6190 -1.6144 -1.2806 -1.2691 -1.2572 -1.2568 -0.9994 -0.9939 -0.3782 -0.3721 0.9543 0.9661 0.9846 0.9881 2.1052 2.1158 2.2346 2.2355 2.5708 2.5729 2.8308 2.8449 3.0085 3.0104 3.5742 3.5853 3.7221 3.7271 4.4936 4.4960 4.9064 4.9126 5.0076 5.0106 12.4132 12.4256 12.6682 12.6687 13.1157 13.1205 13.2871 13.2891 14.0253 14.0258 k = 0.3452 0.5594-0.0000 ( 4243 PWs) bands (ev): -13.2819 -13.2818 -13.0222 -13.0222 -11.2023 -11.2020 -9.7433 -9.7408 -8.6798 -8.6744 -8.4579 -8.4491 -3.3215 -3.3202 -1.6190 -1.6144 -1.2806 -1.2691 -1.2572 -1.2568 -0.9994 -0.9939 -0.3782 -0.3721 0.9543 0.9661 0.9846 0.9881 2.1052 2.1158 2.2346 2.2355 2.5708 2.5729 2.8308 2.8449 3.0085 3.0104 3.5742 3.5853 3.7221 3.7271 4.4936 4.4960 4.9064 4.9126 5.0076 5.0106 12.4132 12.4256 12.6682 12.6687 13.1157 13.1205 13.2871 13.2891 14.0253 14.0258 k = 0.3287 0.5594-0.0000 ( 4249 PWs) bands (ev): -13.2860 -13.2858 -13.0226 -13.0225 -11.1832 -11.1830 -9.7679 -9.7654 -8.6709 -8.6654 -8.4567 -8.4479 -3.3179 -3.3166 -1.6239 -1.6195 -1.2941 -1.2827 -1.2677 -1.2673 -1.0111 -1.0055 -0.3317 -0.3255 0.9697 0.9743 0.9808 0.9903 2.0713 2.0819 2.2454 2.2463 2.5712 2.5728 2.8186 2.8327 3.0213 3.0228 3.5749 3.5854 3.7397 3.7438 4.4693 4.4716 4.9209 4.9271 4.9965 4.9993 12.4111 12.4236 12.6770 12.6778 13.1342 13.1394 13.2580 13.2598 14.0186 14.0192 k = 0.3123 0.5594-0.0000 ( 4247 PWs) bands (ev): -13.2905 -13.2904 -13.0232 -13.0231 -11.1620 -11.1617 -9.7931 -9.7907 -8.6618 -8.6562 -8.4559 -8.4471 -3.3136 -3.3123 -1.6485 -1.6445 -1.3052 -1.2950 -1.2711 -1.2699 -1.0152 -1.0095 -0.2824 -0.2760 0.9580 0.9616 1.0032 1.0149 2.0344 2.0449 2.2585 2.2593 2.5675 2.5689 2.8083 2.8222 3.0356 3.0370 3.5752 3.5853 3.7574 3.7610 4.4459 4.4480 4.9312 4.9363 4.9923 4.9940 12.4098 12.4223 12.6834 12.6847 13.1456 13.1508 13.2339 13.2351 14.0100 14.0109 k = 0.2959 0.5594-0.0000 ( 4253 PWs) bands (ev): -13.2955 -13.2953 -13.0240 -13.0240 -11.1386 -11.1383 -9.8191 -9.8168 -8.6525 -8.6467 -8.4553 -8.4465 -3.3085 -3.3072 -1.6890 -1.6853 -1.3179 -1.3091 -1.2678 -1.2656 -1.0103 -1.0045 -0.2310 -0.2244 0.9419 0.9454 1.0309 1.0427 1.9947 2.0052 2.2737 2.2743 2.5587 2.5602 2.8011 2.8145 3.0507 3.0522 3.5749 3.5847 3.7745 3.7778 4.4239 4.4259 4.9330 4.9360 4.9982 4.9993 12.4100 12.4225 12.6874 12.6893 13.1445 13.1488 13.2195 13.2204 14.0053 14.0063 k = 0.2794 0.5594-0.0000 ( 4254 PWs) bands (ev): -13.3008 -13.3006 -13.0251 -13.0251 -11.1132 -11.1129 -9.8458 -9.8435 -8.6431 -8.6372 -8.4551 -8.4463 -3.3026 -3.3012 -1.7401 -1.7369 -1.3319 -1.3239 -1.2632 -1.2607 -0.9953 -0.9897 -0.1782 -0.1716 0.9238 0.9271 1.0612 1.0731 1.9526 1.9630 2.2906 2.2910 2.5443 2.5462 2.7979 2.8104 3.0664 3.0682 3.5741 3.5838 3.7900 3.7933 4.4041 4.4059 4.9274 4.9290 5.0114 5.0140 12.4119 12.4244 12.6894 12.6919 13.1291 13.1322 13.2148 13.2174 14.0061 14.0073 k = 0.2630 0.5594-0.0000 ( 4250 PWs) bands (ev): -13.3062 -13.3061 -13.0264 -13.0264 -11.0861 -11.0857 -9.8732 -9.8710 -8.6336 -8.6275 -8.4551 -8.4463 -3.2956 -3.2942 -1.7978 -1.7950 -1.3463 -1.3389 -1.2613 -1.2589 -0.9706 -0.9652 -0.1248 -0.1182 0.9041 0.9073 1.0940 1.1058 1.9083 1.9187 2.3088 2.3092 2.5248 2.5271 2.7983 2.8099 3.0825 3.0845 3.5725 3.5822 3.8031 3.8066 4.3870 4.3886 4.9188 4.9199 5.0286 5.0321 12.4158 12.4282 12.6898 12.6927 13.1058 13.1083 13.2139 13.2177 14.0130 14.0142 k = 0.2466 0.5594-0.0000 ( 4248 PWs) bands (ev): -13.3118 -13.3117 -13.0279 -13.0279 -11.0573 -11.0569 -9.9013 -9.8991 -8.6240 -8.6178 -8.4555 -8.4467 -3.2875 -3.2861 -1.8595 -1.8570 -1.3606 -1.3537 -1.2631 -1.2608 -0.9380 -0.9328 -0.0712 -0.0646 0.8835 0.8865 1.1289 1.1407 1.8619 1.8723 2.3274 2.3284 2.5012 2.5036 2.8017 2.8124 3.0987 3.1009 3.5701 3.5799 3.8133 3.8172 4.3731 4.3744 4.9098 4.9109 5.0474 5.0514 12.4219 12.4342 12.6890 12.6924 13.0799 13.0822 13.2115 13.2159 14.0261 14.0272 k = 0.2301 0.5594-0.0000 ( 4251 PWs) bands (ev): -13.3175 -13.3173 -13.0296 -13.0296 -11.0271 -11.0266 -9.9300 -9.9280 -8.6144 -8.6080 -8.4561 -8.4474 -3.2782 -3.2767 -1.9233 -1.9211 -1.3747 -1.3682 -1.2677 -1.2655 -0.8996 -0.8948 -0.0181 -0.0116 0.8625 0.8652 1.1657 1.1775 1.8139 1.8242 2.3453 2.3478 2.4756 2.4774 2.8073 2.8170 3.1150 3.1174 3.5667 3.5766 3.8201 3.8244 4.3626 4.3637 4.9014 4.9026 5.0666 5.0708 12.4301 12.4423 12.6875 12.6914 13.0535 13.0557 13.2058 13.2107 14.0448 14.0458 k = 0.2137 0.5594-0.0000 ( 4252 PWs) bands (ev): -13.3230 -13.3229 -13.0314 -13.0313 -10.9955 -10.9951 -9.9595 -9.9575 -8.6048 -8.5983 -8.4570 -8.4483 -3.2674 -3.2659 -1.9880 -1.9861 -1.3884 -1.3823 -1.2742 -1.2721 -0.8577 -0.8530 0.0340 0.0404 0.8417 0.8442 1.2042 1.2160 1.7643 1.7746 2.3589 2.3643 2.4516 2.4521 2.8141 2.8231 3.1311 3.1337 3.5622 3.5722 3.8234 3.8282 4.3556 4.3566 4.8944 4.8957 5.0856 5.0899 12.4403 12.4524 12.6858 12.6901 13.0273 13.0295 13.1966 13.2018 14.0676 14.0687 k = 0.1972 0.5594-0.0000 ( 4250 PWs) bands (ev): -13.3285 -13.3284 -13.0333 -13.0332 -10.9629 -10.9624 -9.9895 -9.9876 -8.5953 -8.5887 -8.4583 -8.4496 -3.2553 -3.2537 -2.0527 -2.0510 -1.4015 -1.3959 -1.2815 -1.2795 -0.8137 -0.8093 0.0843 0.0905 0.8220 0.8241 1.2442 1.2559 1.7135 1.7236 2.3582 2.3683 2.4366 2.4411 2.8216 2.8298 3.1470 3.1498 3.5562 3.5663 3.8235 3.8287 4.3516 4.3527 4.8890 4.8903 5.1039 5.1082 12.4525 12.4645 12.6845 12.6891 13.0019 13.0041 13.1842 13.1895 14.0895 14.0923 k = 0.1808 0.5594-0.0000 ( 4254 PWs) bands (ev): -13.3337 -13.3336 -13.0352 -13.0351 -10.9294 -10.9289 -10.0201 -10.0183 -8.5859 -8.5792 -8.4598 -8.4512 -3.2417 -3.2401 -2.1168 -2.1152 -1.4141 -1.4089 -1.2890 -1.2872 -0.7688 -0.7646 0.1321 0.1379 0.8046 0.8062 1.2853 1.2969 1.6617 1.6717 2.3369 2.3484 2.4439 2.4493 2.8290 2.8367 3.1626 3.1655 3.5487 3.5588 3.8210 3.8266 4.3503 4.3515 4.8853 4.8867 5.1212 5.1255 12.4664 12.4782 12.6839 12.6888 12.9774 12.9796 13.1692 13.1746 14.0887 14.0944 k = 0.1644 0.5594-0.0000 ( 4256 PWs) bands (ev): -13.3387 -13.3386 -13.0371 -13.0370 -10.8953 -10.8947 -10.0511 -10.0494 -8.5767 -8.5699 -8.4616 -8.4531 -3.2266 -3.2251 -2.1795 -2.1781 -1.4259 -1.4212 -1.2963 -1.2947 -0.7240 -0.7200 0.1763 0.1816 0.7905 0.7916 1.3270 1.3386 1.6092 1.6192 2.3039 2.3153 2.4631 2.4678 2.8361 2.8432 3.1779 3.1810 3.5395 3.5495 3.8166 3.8225 4.3510 4.3523 4.8833 4.8848 5.1375 5.1416 12.4817 12.4933 12.6843 12.6895 12.9542 12.9563 13.1520 13.1575 14.0639 14.0691 k = 0.1479 0.5594-0.0000 ( 4262 PWs) bands (ev): -13.3434 -13.3433 -13.0389 -13.0389 -10.8608 -10.8602 -10.0823 -10.0807 -8.5678 -8.5608 -8.4638 -8.4553 -3.2102 -3.2087 -2.2404 -2.2391 -1.4369 -1.4327 -1.3033 -1.3017 -0.6800 -0.6762 0.2156 0.2203 0.7814 0.7819 1.3687 1.3800 1.5570 1.5669 2.2663 2.2773 2.4857 2.4898 2.8425 2.8492 3.1928 3.1960 3.5285 3.5383 3.8113 3.8172 4.3530 4.3544 4.8831 4.8845 5.1524 5.1564 12.4980 12.5094 12.6861 12.6915 12.9325 12.9346 13.1332 13.1389 14.0341 14.0388 k = 0.1315 0.5594-0.0000 ( 4260 PWs) bands (ev): -13.3477 -13.3476 -13.0407 -13.0407 -10.8263 -10.8257 -10.1137 -10.1121 -8.5590 -8.5520 -8.4662 -8.4578 -3.1925 -3.1910 -2.2989 -2.2976 -1.4471 -1.4433 -1.3096 -1.3082 -0.6375 -0.6340 0.2487 0.2526 0.7783 0.7794 1.4069 1.4178 1.5081 1.5183 2.2263 2.2372 2.5092 2.5129 2.8480 2.8543 3.2073 3.2105 3.5159 3.5254 3.8056 3.8114 4.3557 4.3571 4.8844 4.8858 5.1659 5.1696 12.5149 12.5260 12.6893 12.6948 12.9129 12.9150 13.1132 13.1189 14.0033 14.0077 k = 0.1151 0.5594-0.0000 ( 4264 PWs) bands (ev): -13.3517 -13.3516 -13.0424 -13.0423 -10.7920 -10.7914 -10.1448 -10.1434 -8.5506 -8.5435 -8.4690 -8.4607 -3.1738 -3.1724 -2.3543 -2.3531 -1.4562 -1.4529 -1.3152 -1.3140 -0.5972 -0.5940 0.2744 0.2774 0.7830 0.7851 1.4178 1.4276 1.4862 1.4978 2.1851 2.1959 2.5325 2.5358 2.8525 2.8584 3.2214 3.2246 3.5019 3.5108 3.8003 3.8057 4.3586 4.3599 4.8869 4.8883 5.1779 5.1813 12.5318 12.5425 12.6936 12.6991 12.8961 12.8982 13.0922 13.0981 13.9729 13.9769 k = 0.0986 0.5594-0.0000 ( 4266 PWs) bands (ev): -13.3551 -13.3551 -13.0439 -13.0438 -10.7586 -10.7580 -10.1754 -10.1741 -8.5425 -8.5353 -8.4721 -8.4639 -3.1545 -3.1532 -2.4060 -2.4049 -1.4642 -1.4615 -1.3201 -1.3190 -0.5598 -0.5569 0.2923 0.2943 0.7965 0.7998 1.3777 1.3869 1.5156 1.5270 2.1434 2.1540 2.5548 2.5579 2.8560 2.8613 3.2350 3.2382 3.4869 3.4951 3.7956 3.8005 4.3614 4.3626 4.8904 4.8917 5.1882 5.1913 12.5483 12.5585 12.6982 12.7037 12.8831 12.8856 13.0704 13.0764 13.9438 13.9473 k = 0.0822 0.5594-0.0000 ( 4270 PWs) bands (ev): -13.3581 -13.3581 -13.0452 -13.0451 -10.7266 -10.7260 -10.2048 -10.2036 -8.5347 -8.5276 -8.4755 -8.4675 -3.1352 -3.1339 -2.4532 -2.4522 -1.4711 -1.4688 -1.3242 -1.3233 -0.5260 -0.5235 0.3027 0.3039 0.8188 0.8232 1.3261 1.3350 1.5561 1.5670 2.1020 2.1123 2.5756 2.5783 2.8584 2.8632 3.2480 3.2511 3.4715 3.4789 3.7918 3.7960 4.3638 4.3649 4.8944 4.8955 5.1970 5.1997 12.5640 12.5735 12.7020 12.7074 12.8751 12.8785 13.0479 13.0540 13.9169 13.9200 k = 0.0657 0.5594-0.0000 ( 4273 PWs) bands (ev): -13.3606 -13.3606 -13.0463 -13.0462 -10.6969 -10.6963 -10.2323 -10.2312 -8.5274 -8.5202 -8.4792 -8.4713 -3.1166 -3.1155 -2.4948 -2.4939 -1.4769 -1.4750 -1.3275 -1.3268 -0.4967 -0.4945 0.3071 0.3078 0.8487 0.8539 1.2732 1.2818 1.5973 1.6075 2.0617 2.0715 2.5941 2.5964 2.8599 2.8640 3.2602 3.2632 3.4565 3.4628 3.7889 3.7923 4.3658 4.3667 4.8984 4.8994 5.2042 5.2064 12.5785 12.5872 12.7036 12.7089 12.8737 12.8782 13.0247 13.0311 13.8933 13.8958 k = 0.0493 0.5594-0.0000 ( 4271 PWs) bands (ev): -13.3626 -13.3625 -13.0472 -13.0471 -10.6707 -10.6702 -10.2566 -10.2557 -8.5205 -8.5135 -8.4831 -8.4755 -3.0998 -3.0989 -2.5295 -2.5288 -1.4813 -1.4799 -1.3301 -1.3296 -0.4726 -0.4709 0.3077 0.3079 0.8842 0.8899 1.2214 1.2296 1.6364 1.6456 2.0241 2.0330 2.6096 2.6115 2.8607 2.8640 3.2714 3.2740 3.4428 3.4479 3.7868 3.7894 4.3673 4.3680 4.9021 4.9029 5.2098 5.2115 12.5916 12.5991 12.7025 12.7075 12.8795 12.8851 13.0011 13.0077 13.8739 13.8758 k = 0.0329 0.5594-0.0000 ( 4264 PWs) bands (ev): -13.3640 -13.3639 -13.0478 -13.0478 -10.6497 -10.6493 -10.2762 -10.2755 -8.5142 -8.5077 -8.4868 -8.4800 -3.0862 -3.0855 -2.5560 -2.5554 -1.4844 -1.4835 -1.3319 -1.3316 -0.4546 -0.4534 0.3063 0.3064 0.9222 0.9279 1.1731 1.1803 1.6709 1.6783 1.9918 1.9990 2.6214 2.6228 2.8612 2.8635 3.2807 3.2828 3.4316 3.4353 3.7855 3.7872 4.3683 4.3688 4.9051 4.9056 5.2138 5.2150 12.6028 12.6086 12.6996 12.7038 12.8918 12.8982 12.9774 12.9841 13.8594 13.8608 k = 0.0164 0.5594-0.0000 ( 4262 PWs) bands (ev): -13.3648 -13.3648 -13.0482 -13.0482 -10.6358 -10.6355 -10.2891 -10.2887 -8.5086 -8.5040 -8.4892 -8.4844 -3.0772 -3.0768 -2.5726 -2.5723 -1.4862 -1.4858 -1.3330 -1.3328 -0.4433 -0.4427 0.3047 0.3048 0.9572 0.9615 1.1337 1.1388 1.6967 1.7010 1.9694 1.9737 2.6290 2.6297 2.8616 2.8628 3.2874 3.2885 3.4244 3.4264 3.7849 3.7858 4.3690 4.3692 4.9071 4.9073 5.2164 5.2170 12.6112 12.6144 12.6971 12.6995 12.9091 12.9157 12.9541 12.9608 13.8506 13.8513 k = 0.0000 0.5594-0.0000 ( 4258 PWs) bands (ev): -13.3651 -13.3651 -13.0483 -13.0483 -10.6308 -10.6308 -10.2935 -10.2935 -8.5045 -8.5045 -8.4882 -8.4882 -3.0739 -3.0739 -2.5782 -2.5782 -1.4867 -1.4867 -1.3333 -1.3333 -0.4393 -0.4393 0.3041 0.3041 0.9753 0.9753 1.1183 1.1183 1.7080 1.7080 1.9625 1.9625 2.6319 2.6319 2.8621 2.8621 3.2902 3.2902 3.4226 3.4226 3.7850 3.7850 4.3693 4.3693 4.9078 4.9078 5.2174 5.2174 12.6154 12.6154 12.6968 12.6968 12.9277 12.9277 12.9403 12.9403 13.8479 13.8479 k = 0.0000 0.5594-0.0000 ( 4258 PWs) bands (ev): -13.3651 -13.3651 -13.0483 -13.0483 -10.6308 -10.6308 -10.2935 -10.2935 -8.5045 -8.5045 -8.4882 -8.4882 -3.0739 -3.0739 -2.5782 -2.5782 -1.4867 -1.4867 -1.3333 -1.3333 -0.4393 -0.4393 0.3041 0.3041 0.9753 0.9753 1.1183 1.1183 1.7080 1.7080 1.9625 1.9625 2.6319 2.6319 2.8621 2.8621 3.2902 3.2902 3.4226 3.4226 3.7850 3.7850 4.3693 4.3693 4.9078 4.9078 5.2174 5.2174 12.6154 12.6154 12.6968 12.6968 12.9277 12.9277 12.9403 12.9403 13.8479 13.8479 k = 0.0000 0.5594 0.0163 ( 4258 PWs) bands (ev): -13.3649 -13.3649 -13.0484 -13.0484 -10.6300 -10.6300 -10.2929 -10.2928 -8.5062 -8.5061 -8.4900 -8.4900 -3.0735 -3.0733 -2.5776 -2.5774 -1.4861 -1.4860 -1.3307 -1.3305 -0.4378 -0.4376 0.3036 0.3037 0.9730 0.9731 1.1162 1.1165 1.7080 1.7081 1.9634 1.9634 2.6296 2.6297 2.8628 2.8629 3.2919 3.2920 3.4233 3.4234 3.7844 3.7846 4.3696 4.3697 4.9079 4.9079 5.2172 5.2172 12.6113 12.6117 12.6915 12.6920 12.9302 12.9312 12.9387 12.9387 13.8515 13.8515 k = 0.0000 0.5594 0.0326 ( 4260 PWs) bands (ev): -13.3641 -13.3641 -13.0487 -13.0487 -10.6275 -10.6274 -10.2910 -10.2909 -8.5111 -8.5108 -8.4954 -8.4953 -3.0721 -3.0719 -2.5756 -2.5752 -1.4842 -1.4841 -1.3228 -1.3223 -0.4331 -0.4327 0.3022 0.3025 0.9663 0.9665 1.1101 1.1107 1.7081 1.7082 1.9659 1.9659 2.6230 2.6231 2.8651 2.8652 3.2970 3.2971 3.4256 3.4259 3.7828 3.7831 4.3705 4.3708 4.9081 4.9082 5.2164 5.2164 12.5996 12.6005 12.6769 12.6777 12.9278 12.9289 12.9442 12.9450 13.8619 13.8620 k = 0.0000 0.5594 0.0489 ( 4262 PWs) bands (ev): -13.3629 -13.3629 -13.0493 -13.0492 -10.6233 -10.6233 -10.2878 -10.2876 -8.5191 -8.5187 -8.5043 -8.5043 -3.0698 -3.0694 -2.5724 -2.5717 -1.4811 -1.4810 -1.3096 -1.3089 -0.4252 -0.4246 0.2998 0.3003 0.9554 0.9557 1.1003 1.1012 1.7081 1.7083 1.9699 1.9699 2.6125 2.6126 2.8687 2.8689 3.3052 3.3054 3.4295 3.4300 3.7802 3.7806 4.3721 4.3725 4.9085 4.9086 5.2150 5.2150 12.5808 12.5820 12.6554 12.6562 12.9166 12.9177 12.9596 12.9610 13.8777 13.8780 k = 0.0000 0.5594 0.0652 ( 4260 PWs) bands (ev): -13.3612 -13.3612 -13.0500 -13.0500 -10.6174 -10.6174 -10.2833 -10.2831 -8.5303 -8.5297 -8.5168 -8.5167 -3.0665 -3.0660 -2.5678 -2.5670 -1.4769 -1.4767 -1.2913 -1.2904 -0.4141 -0.4133 0.2964 0.2970 0.9409 0.9412 1.0871 1.0882 1.7078 1.7081 1.9750 1.9750 2.5985 2.5986 2.8737 2.8739 3.3160 3.3163 3.4350 3.4357 3.7765 3.7770 4.3743 4.3748 4.9091 4.9092 5.2132 5.2132 12.5556 12.5569 12.6289 12.6298 12.9015 12.9028 12.9789 12.9804 13.8971 13.8976 k = 0.0000 0.5594 0.0815 ( 4260 PWs) bands (ev): -13.3590 -13.3590 -13.0510 -13.0509 -10.6099 -10.6099 -10.2775 -10.2773 -8.5445 -8.5438 -8.5326 -8.5324 -3.0623 -3.0617 -2.5621 -2.5611 -1.4716 -1.4713 -1.2681 -1.2670 -0.3997 -0.3987 0.2918 0.2926 0.9232 0.9237 1.0708 1.0722 1.7071 1.7075 1.9809 1.9810 2.5816 2.5818 2.8797 2.8799 3.3289 3.3292 3.4422 3.4429 3.7718 3.7724 4.3770 4.3776 4.9098 4.9099 5.2108 5.2108 12.5249 12.5263 12.5994 12.6001 12.8840 12.8854 13.0003 13.0019 13.9177 13.9185 k = 0.0000 0.5594 0.0978 ( 4262 PWs) bands (ev): -13.3564 -13.3564 -13.0521 -13.0521 -10.6008 -10.6007 -10.2705 -10.2702 -8.5618 -8.5609 -8.5516 -8.5513 -3.0570 -3.0563 -2.5553 -2.5542 -1.4652 -1.4649 -1.2402 -1.2388 -0.3819 -0.3807 0.2858 0.2868 0.9032 0.9038 1.0519 1.0536 1.7058 1.7063 1.9872 1.9872 2.5625 2.5627 2.8865 2.8868 3.3431 3.3435 3.4509 3.4518 3.7660 3.7666 4.3802 4.3809 4.9105 4.9107 5.2079 5.2079 12.4899 12.4913 12.5680 12.5685 12.8648 12.8661 13.0230 13.0244 13.9374 13.9385 k = 0.0000 0.5594 0.1141 ( 4262 PWs) bands (ev): -13.3533 -13.3532 -13.0535 -13.0535 -10.5900 -10.5899 -10.2622 -10.2619 -8.5821 -8.5811 -8.5736 -8.5732 -3.0507 -3.0499 -2.5477 -2.5464 -1.4580 -1.4576 -1.2079 -1.2063 -0.3609 -0.3595 0.2784 0.2796 0.8815 0.8822 1.0309 1.0328 1.7037 1.7042 1.9933 1.9933 2.5420 2.5421 2.8938 2.8941 3.3582 3.3586 3.4612 3.4622 3.7590 3.7598 4.3838 4.3846 4.9114 4.9115 5.2045 5.2045 12.4517 12.4530 12.5358 12.5361 12.8445 12.8458 13.0464 13.0476 13.9542 13.9556 k = 0.0000 0.5594 0.1304 ( 4262 PWs) bands (ev): -13.3498 -13.3497 -13.0552 -13.0551 -10.5775 -10.5774 -10.2526 -10.2522 -8.6057 -8.6045 -8.5980 -8.5976 -3.0434 -3.0425 -2.5393 -2.5379 -1.4499 -1.4496 -1.1716 -1.1698 -0.3365 -0.3349 0.2692 0.2706 0.8590 0.8598 1.0081 1.0102 1.7006 1.7012 1.9986 1.9988 2.5206 2.5207 2.9014 2.9017 3.3736 3.3741 3.4731 3.4741 3.7511 3.7520 4.3876 4.3886 4.9122 4.9124 5.2005 5.2006 12.4117 12.4128 12.5039 12.5039 12.8236 12.8248 13.0700 13.0709 13.9670 13.9687 k = 0.0000 0.5594 0.1467 ( 4256 PWs) bands (ev): -13.3458 -13.3457 -13.0570 -13.0570 -10.5634 -10.5633 -10.2417 -10.2413 -8.6326 -8.6315 -8.6244 -8.6241 -3.0350 -3.0340 -2.5303 -2.5288 -1.4411 -1.4408 -1.1316 -1.1296 -0.3087 -0.3069 0.2581 0.2597 0.8365 0.8375 0.9840 0.9864 1.6965 1.6971 2.0028 2.0030 2.4991 2.4991 2.9089 2.9091 3.3889 3.3893 3.4863 3.4874 3.7421 3.7431 4.3916 4.3927 4.9132 4.9133 5.1961 5.1962 12.3710 12.3719 12.4726 12.4728 12.8026 12.8037 13.0935 13.0941 13.9752 13.9772 k = 0.0000 0.5594 0.1630 ( 4260 PWs) bands (ev): -13.3414 -13.3413 -13.0591 -13.0590 -10.5476 -10.5476 -10.2295 -10.2291 -8.6628 -8.6619 -8.6524 -8.6524 -3.0256 -3.0245 -2.5209 -2.5194 -1.4316 -1.4313 -1.0885 -1.0862 -0.2776 -0.2757 0.2449 0.2467 0.8149 0.8159 0.9591 0.9618 1.6912 1.6918 2.0052 2.0055 2.4780 2.4780 2.9159 2.9161 3.4035 3.4040 3.5008 3.5019 3.7322 3.7334 4.3956 4.3968 4.9141 4.9143 5.1911 5.1912 12.3306 12.3314 12.4431 12.4435 12.7817 12.7827 13.1166 13.1168 13.9791 13.9813 k = 0.0000 0.5594 0.1793 ( 4264 PWs) bands (ev): -13.3366 -13.3365 -13.0614 -13.0614 -10.5303 -10.5302 -10.2161 -10.2157 -8.6960 -8.6952 -8.6825 -8.6822 -3.0150 -3.0139 -2.5114 -2.5098 -1.4215 -1.4213 -1.0427 -1.0403 -0.2434 -0.2412 0.2295 0.2315 0.7948 0.7960 0.9338 0.9367 1.6848 1.6854 2.0053 2.0057 2.4580 2.4581 2.9222 2.9223 3.4172 3.4177 3.5162 3.5174 3.7218 3.7230 4.3994 4.4007 4.9150 4.9152 5.1857 5.1858 12.2917 12.2922 12.4159 12.4166 12.7614 12.7622 13.1387 13.1389 13.9793 13.9817 k = 0.0000 0.5594 0.1956 ( 4264 PWs) bands (ev): -13.3314 -13.3313 -13.0640 -13.0639 -10.5113 -10.5112 -10.2014 -10.2010 -8.7318 -8.7312 -8.7144 -8.7139 -3.0034 -3.0022 -2.5019 -2.5003 -1.4109 -1.4107 -0.9950 -0.9923 -0.2060 -0.2037 0.2120 0.2141 0.7770 0.7783 0.9086 0.9117 1.6771 1.6778 2.0025 2.0031 2.4397 2.4399 2.9274 2.9275 3.4297 3.4302 3.5321 3.5332 3.7112 3.7125 4.4028 4.4042 4.9159 4.9161 5.1798 5.1799 12.2551 12.2554 12.3917 12.3926 12.7419 12.7425 13.1593 13.1599 13.9769 13.9794 k = 0.0000 0.5594 0.2119 ( 4260 PWs) bands (ev): -13.3259 -13.3258 -13.0668 -13.0667 -10.4907 -10.4906 -10.1855 -10.1850 -8.7699 -8.7693 -8.7480 -8.7474 -2.9908 -2.9895 -2.4926 -2.4911 -1.3997 -1.3996 -0.9459 -0.9431 -0.1658 -0.1634 0.1925 0.1948 0.7620 0.7635 0.8837 0.8871 1.6684 1.6691 1.9966 1.9972 2.4235 2.4238 2.9313 2.9314 3.4407 3.4413 3.5474 3.5484 3.7015 3.7029 4.4057 4.4071 4.9169 4.9171 5.1734 5.1735 12.2216 12.2217 12.3711 12.3723 12.7235 12.7240 13.1782 13.1793 13.9727 13.9753 k = 0.0000 0.5594 0.2282 ( 4258 PWs) bands (ev): -13.3200 -13.3199 -13.0698 -13.0698 -10.4685 -10.4684 -10.1684 -10.1678 -8.8101 -8.8095 -8.7833 -8.7826 -2.9771 -2.9757 -2.4838 -2.4823 -1.3879 -1.3878 -0.8965 -0.8934 -0.1230 -0.1205 0.1715 0.1739 0.7503 0.7518 0.8597 0.8633 1.6585 1.6592 1.9871 1.9879 2.4098 2.4103 2.9336 2.9337 3.4500 3.4506 3.5604 3.5613 3.6943 3.6956 4.4078 4.4093 4.9180 4.9182 5.1665 5.1667 12.1919 12.1919 12.3546 12.3559 12.7066 12.7070 13.1949 13.1964 13.9677 13.9703 k = 0.0000 0.5594 0.2445 ( 4256 PWs) bands (ev): -13.3138 -13.3137 -13.0732 -13.0731 -10.4448 -10.4447 -10.1500 -10.1494 -8.8520 -8.8515 -8.8200 -8.8192 -2.9623 -2.9609 -2.4757 -2.4743 -1.3755 -1.3754 -0.8476 -0.8443 -0.0780 -0.0753 0.1495 0.1521 0.7421 0.7437 0.8369 0.8408 1.6476 1.6483 1.9739 1.9748 2.3989 2.3995 2.9340 2.9342 3.4576 3.4583 3.5687 3.5692 3.6923 3.6935 4.4089 4.4104 4.9192 4.9194 5.1592 5.1595 12.1665 12.1667 12.3425 12.3441 12.6914 12.6916 13.2089 13.2109 13.9624 13.9650 k = 0.0000 0.5594 0.2608 ( 4260 PWs) bands (ev): -13.3073 -13.3072 -13.0767 -13.0767 -10.4196 -10.4194 -10.1304 -10.1298 -8.8956 -8.8951 -8.8580 -8.8572 -2.9466 -2.9451 -2.4685 -2.4672 -1.3624 -1.3622 -0.8004 -0.7970 -0.0313 -0.0285 0.1276 0.1303 0.7376 0.7393 0.8158 0.8199 1.6356 1.6364 1.9570 1.9581 2.3907 2.3914 2.9324 2.9328 3.4634 3.4640 3.5696 3.5697 3.6980 3.6988 4.4087 4.4103 4.9206 4.9207 5.1515 5.1518 12.1461 12.1464 12.3353 12.3370 12.6781 12.6782 13.2198 13.2222 13.9573 13.9600 k = 0.0000 0.5594 0.2771 ( 4262 PWs) bands (ev): -13.3006 -13.3005 -13.0806 -13.0805 -10.3928 -10.3927 -10.1097 -10.1090 -8.9406 -8.9401 -8.8972 -8.8963 -2.9299 -2.9284 -2.4624 -2.4612 -1.3485 -1.3481 -0.7563 -0.7527 0.0165 0.0194 0.1070 0.1097 0.7368 0.7386 0.7969 0.8013 1.6227 1.6234 1.9367 1.9378 2.3853 2.3860 2.9286 2.9291 3.4674 3.4679 3.5625 3.5631 3.7116 3.7120 4.4072 4.4087 4.9223 4.9224 5.1435 5.1438 12.1311 12.1315 12.3331 12.3351 12.6669 12.6670 13.2271 13.2300 13.9529 13.9555 k = 0.0000 0.5594 0.2934 ( 4264 PWs) bands (ev): -13.2935 -13.2934 -13.0847 -13.0846 -10.3645 -10.3644 -10.0878 -10.0870 -8.9867 -8.9863 -8.9374 -8.9364 -2.9123 -2.9107 -2.4575 -2.4565 -1.3337 -1.3331 -0.7168 -0.7131 0.0644 0.0673 0.0891 0.0918 0.7399 0.7417 0.7808 0.7854 1.6088 1.6095 1.9131 1.9143 2.3823 2.3831 2.9225 2.9230 3.4695 3.4700 3.5499 3.5509 3.7310 3.7312 4.4040 4.4056 4.9243 4.9243 5.1352 5.1355 12.1218 12.1223 12.3363 12.3384 12.6580 12.6581 13.2305 13.2339 13.9493 13.9519 k = 0.0000 0.5594 0.3097 ( 4264 PWs) bands (ev): -13.2863 -13.2862 -13.0890 -13.0889 -10.3348 -10.3347 -10.0647 -10.0640 -9.0338 -9.0334 -8.9783 -8.9773 -2.8938 -2.8922 -2.4542 -2.4533 -1.3177 -1.3170 -0.6835 -0.6797 0.0743 0.0772 0.1124 0.1155 0.7468 0.7485 0.7683 0.7731 1.5940 1.5947 1.8866 1.8878 2.3816 2.3824 2.9139 2.9145 3.4699 3.4703 3.5340 3.5353 3.7543 3.7544 4.3991 4.4007 4.9267 4.9267 5.1265 5.1269 12.1186 12.1191 12.3448 12.3471 12.6515 12.6516 13.2298 13.2336 13.9465 13.9479 k = 0.0000 0.5594 0.3260 ( 4262 PWs) bands (ev): -13.2789 -13.2788 -13.0937 -13.0936 -10.3037 -10.3035 -10.0407 -10.0399 -9.0817 -9.0813 -9.0199 -9.0189 -2.8746 -2.8729 -2.4525 -2.4518 -1.3006 -1.2997 -0.6583 -0.6544 0.0657 0.0687 0.1580 0.1610 0.7570 0.7576 0.7618 0.7656 1.5783 1.5789 1.8575 1.8587 2.3829 2.3838 2.9026 2.9033 3.4685 3.4689 3.5165 3.5180 3.7800 3.7800 4.3924 4.3939 4.9294 4.9295 5.1177 5.1181 12.1216 12.1221 12.3586 12.3612 12.6475 12.6477 13.2248 13.2291 13.8997 13.9022 k = 0.0000 0.5594 0.3423 ( 4266 PWs) bands (ev): -13.2713 -13.2711 -13.0985 -13.0984 -10.2712 -10.2710 -10.0156 -10.0148 -9.1301 -9.1297 -9.0619 -9.0609 -2.8545 -2.8529 -2.4525 -2.4520 -1.2821 -1.2810 -0.6422 -0.6383 0.0635 0.0666 0.2004 0.2034 0.7568 0.7614 0.7733 0.7746 1.5616 1.5622 1.8260 1.8272 2.3861 2.3870 2.8886 2.8894 3.4657 3.4659 3.4983 3.5001 3.8073 3.8073 4.3837 4.3852 4.9327 4.9328 5.1087 5.1092 12.1309 12.1314 12.3778 12.3805 12.6461 12.6463 13.2156 13.2205 13.8355 13.8382 k = 0.0000 0.5594 0.3586 ( 4264 PWs) bands (ev): -13.2635 -13.2634 -13.1037 -13.1036 -10.2374 -10.2372 -9.9896 -9.9888 -9.1787 -9.1784 -9.1042 -9.1032 -2.8339 -2.8322 -2.4543 -2.4540 -1.2621 -1.2609 -0.6359 -0.6321 0.0682 0.0714 0.2382 0.2410 0.7607 0.7654 0.7917 0.7932 1.5440 1.5445 1.7923 1.7936 2.3911 2.3919 2.8718 2.8726 3.4614 3.4616 3.4803 3.4823 3.8356 3.8356 4.3731 4.3746 4.9365 4.9366 5.0996 5.1001 12.1465 12.1471 12.4019 12.4049 12.6473 12.6476 13.2025 13.2079 13.7659 13.7689 k = 0.0000 0.5594 0.3749 ( 4268 PWs) bands (ev): -13.2556 -13.2555 -13.1091 -13.1090 -10.2023 -10.2021 -9.9629 -9.9620 -9.2274 -9.2271 -9.1467 -9.1456 -2.8127 -2.8110 -2.4581 -2.4580 -1.2405 -1.2391 -0.6393 -0.6355 0.0792 0.0825 0.2699 0.2723 0.7720 0.7765 0.8143 0.8157 1.5254 1.5259 1.7568 1.7580 2.3977 2.3985 2.8522 2.8531 3.4559 3.4561 3.4631 3.4654 3.8646 3.8646 4.3607 4.3620 4.9407 4.9409 5.0904 5.0909 12.1685 12.1690 12.4305 12.4338 12.6510 12.6514 13.1856 13.1915 13.6925 13.6957 k = 0.0000 0.5594 0.3912 ( 4266 PWs) bands (ev): -13.2477 -13.2475 -13.1148 -13.1147 -10.1661 -10.1659 -9.9355 -9.9346 -9.2758 -9.2755 -9.1891 -9.1880 -2.7909 -2.7892 -2.4638 -2.4638 -1.2174 -1.2158 -0.6514 -0.6477 0.0954 0.0988 0.2944 0.2963 0.7911 0.7954 0.8408 0.8421 1.5058 1.5062 1.7196 1.7207 2.4061 2.4068 2.8300 2.8308 3.4471 3.4479 3.4498 3.4513 3.8940 3.8940 4.3463 4.3476 4.9454 4.9457 5.0812 5.0818 12.1966 12.1970 12.4632 12.4667 12.6572 12.6578 13.1653 13.1717 13.6172 13.6207 k = 0.0000 0.5594 0.4075 ( 4260 PWs) bands (ev): -13.2396 -13.2395 -13.1207 -13.1206 -10.1288 -10.1286 -9.9079 -9.9069 -9.3236 -9.3232 -9.2312 -9.2301 -2.7689 -2.7672 -2.4716 -2.4714 -1.1925 -1.1908 -0.6707 -0.6671 0.1153 0.1188 0.3116 0.3129 0.8178 0.8216 0.8709 0.8721 1.4853 1.4856 1.6807 1.6819 2.4162 2.4169 2.8053 2.8062 3.4329 3.4347 3.4426 3.4433 3.9236 3.9236 4.3302 4.3314 4.9506 4.9509 5.0721 5.0727 12.2306 12.2309 12.4989 12.5026 12.6658 12.6666 13.1416 13.1485 13.5424 13.5460 k = 0.0000 0.5594 0.4238 ( 4254 PWs) bands (ev): -13.2316 -13.2314 -13.1268 -13.1267 -10.0905 -10.0903 -9.8803 -9.8794 -9.3701 -9.3697 -9.2729 -9.2718 -2.7465 -2.7448 -2.4813 -2.4809 -1.1660 -1.1641 -0.6958 -0.6923 0.1373 0.1408 0.3220 0.3226 0.8508 0.8540 0.9041 0.9052 1.4639 1.4642 1.6406 1.6416 2.4282 2.4288 2.7785 2.7793 3.4205 3.4225 3.4350 3.4357 3.9533 3.9533 4.3125 4.3136 4.9561 4.9566 5.0630 5.0636 12.2703 12.2704 12.5364 12.5404 12.6767 12.6777 13.1143 13.1216 13.4710 13.4745 k = 0.0000 0.5594 0.4401 ( 4258 PWs) bands (ev): -13.2235 -13.2233 -13.1332 -13.1331 -10.0515 -10.0513 -9.8535 -9.8526 -9.4146 -9.4142 -9.3140 -9.3129 -2.7240 -2.7223 -2.4928 -2.4922 -1.1378 -1.1357 -0.7253 -0.7218 0.1602 0.1636 0.3264 0.3264 0.8882 0.8910 0.9397 0.9406 1.4419 1.4421 1.5993 1.6003 2.4421 2.4427 2.7499 2.7506 3.4102 3.4122 3.4272 3.4281 3.9828 3.9829 4.2932 4.2942 4.9621 4.9626 5.0541 5.0547 12.3151 12.3152 12.5740 12.5783 12.6896 12.6910 13.0827 13.0901 13.4069 13.4102 k = 0.0000 0.5594 0.4564 ( 4260 PWs) bands (ev): -13.2154 -13.2152 -13.1399 -13.1397 -10.0119 -10.0117 -9.8286 -9.8277 -9.4559 -9.4555 -9.3541 -9.3530 -2.7015 -2.6998 -2.5060 -2.5052 -1.1079 -1.1057 -0.7578 -0.7545 0.1828 0.1862 0.3255 0.3260 0.9282 0.9306 0.9767 0.9774 1.4198 1.4199 1.5573 1.5583 2.4581 2.4586 2.7200 2.7207 3.4020 3.4040 3.4195 3.4206 4.0121 4.0123 4.2725 4.2734 4.9684 4.9689 5.0453 5.0459 12.3644 12.3646 12.6093 12.6137 12.7045 12.7062 13.0455 13.0523 13.3552 13.3577 k = 0.0000 0.5594 0.4727 ( 4262 PWs) bands (ev): -13.2073 -13.2072 -13.1467 -13.1466 -9.9721 -9.9718 -9.8077 -9.8068 -9.4919 -9.4914 -9.3929 -9.3918 -2.6790 -2.6774 -2.5208 -2.5199 -1.0766 -1.0742 -0.7925 -0.7892 0.2046 0.2079 0.3208 0.3218 0.9686 0.9706 1.0133 1.0137 1.3985 1.3987 1.5153 1.5162 2.4762 2.4767 2.6894 2.6900 3.3960 3.3980 3.4122 3.4134 4.0411 4.0413 4.2505 4.2513 4.9750 4.9755 5.0366 5.0373 12.4174 12.4178 12.6390 12.6435 12.7211 12.7232 13.0017 13.0072 13.3211 13.3223 k = 0.0000 0.5594 0.4890 ( 4260 PWs) bands (ev): -13.1993 -13.1992 -13.1537 -13.1536 -9.9325 -9.9322 -9.7940 -9.7932 -9.5192 -9.5187 -9.4299 -9.4288 -2.6568 -2.6552 -2.5370 -2.5360 -1.0438 -1.0412 -0.8284 -0.8253 0.2251 0.2282 0.3132 0.3146 1.0074 1.0091 1.0468 1.0470 1.3801 1.3802 1.4741 1.4750 2.4965 2.4970 2.6586 2.6592 3.3921 3.3941 3.4056 3.4069 4.0697 4.0699 4.2274 4.2281 4.9819 4.9824 5.0282 5.0288 12.4730 12.4736 12.6596 12.6636 12.7394 12.7419 12.9522 12.9559 13.3077 13.3081 k = 0.0000 0.5594 0.5053 ( 4262 PWs) bands (ev): -13.1914 -13.1913 -13.1610 -13.1608 -9.8940 -9.8936 -9.7915 -9.7908 -9.5338 -9.5332 -9.4642 -9.4632 -2.6350 -2.6335 -2.5546 -2.5534 -1.0097 -1.0070 -0.8651 -0.8620 0.2441 0.2470 0.3031 0.3050 1.0422 1.0436 1.0733 1.0734 1.3676 1.3679 1.4355 1.4363 2.5191 2.5195 2.6281 2.6287 3.3902 3.3921 3.3998 3.4013 4.0977 4.0980 4.2031 4.2038 4.9890 4.9896 5.0199 5.0205 12.5291 12.5299 12.6667 12.6698 12.7598 12.7626 12.9010 12.9026 13.3150 13.3165 k = 0.0000 0.5594 0.5216 ( 4270 PWs) bands (ev): -13.1836 -13.1835 -13.1684 -13.1682 -9.8578 -9.8574 -9.8029 -9.8023 -9.5331 -9.5323 -9.4945 -9.4936 -2.6137 -2.6122 -2.5734 -2.5721 -0.9745 -0.9718 -0.9019 -0.8990 0.2614 0.2641 0.2910 0.2932 1.0698 1.0709 1.0876 1.0880 1.3656 1.3661 1.4019 1.4027 2.5437 2.5442 2.5986 2.5991 3.3902 3.3920 3.3952 3.3968 4.1252 4.1256 4.1780 4.1785 4.9964 4.9970 5.0118 5.0125 12.5826 12.5831 12.6567 12.6582 12.7836 12.7864 12.8534 12.8540 13.3425 13.3448 k = 0.0000 0.5594 0.5379 ( 4268 PWs) bands (ev): -13.1759 -13.1759 -13.1758 -13.1758 -9.8263 -9.8263 -9.8258 -9.8258 -9.5187 -9.5187 -9.5178 -9.5178 -2.5931 -2.5931 -2.5917 -2.5917 -0.9385 -0.9385 -0.9357 -0.9357 0.2771 0.2771 0.2795 0.2795 1.0862 1.0862 1.0870 1.0870 1.3774 1.3774 1.3780 1.3780 2.5703 2.5703 2.5708 2.5708 3.3919 3.3919 3.3936 3.3936 4.1520 4.1520 4.1524 4.1524 5.0040 5.0040 5.0046 5.0046 12.6277 12.6277 12.6279 12.6279 12.8136 12.8136 12.8157 12.8157 13.3871 13.3871 k = 0.0000 0.5594 0.5379 ( 4268 PWs) bands (ev): -13.1759 -13.1759 -13.1758 -13.1758 -9.8263 -9.8263 -9.8258 -9.8258 -9.5187 -9.5187 -9.5178 -9.5178 -2.5931 -2.5931 -2.5917 -2.5917 -0.9385 -0.9385 -0.9357 -0.9357 0.2771 0.2771 0.2795 0.2795 1.0862 1.0862 1.0870 1.0870 1.3774 1.3774 1.3780 1.3780 2.5703 2.5703 2.5708 2.5708 3.3919 3.3919 3.3936 3.3936 4.1520 4.1520 4.1524 4.1524 5.0040 5.0040 5.0046 5.0046 12.6277 12.6277 12.6279 12.6279 12.8136 12.8136 12.8157 12.8157 13.3871 13.3871 k = 0.0164 0.5594 0.5379 ( 4268 PWs) bands (ev): -13.1757 -13.1757 -13.1756 -13.1756 -9.8287 -9.8287 -9.8281 -9.8281 -9.5166 -9.5166 -9.5157 -9.5157 -2.5913 -2.5913 -2.5899 -2.5899 -0.9419 -0.9419 -0.9390 -0.9390 0.2789 0.2789 0.2814 0.2814 1.0838 1.0838 1.0856 1.0856 1.3790 1.3790 1.3812 1.3812 2.5692 2.5692 2.5699 2.5699 3.3930 3.3930 3.3948 3.3948 4.1525 4.1525 4.1530 4.1530 5.0020 5.0020 5.0027 5.0027 12.6267 12.6267 12.6277 12.6277 12.8141 12.8141 12.8165 12.8165 13.3861 13.3861 k = 0.0329 0.5594 0.5379 ( 4256 PWs) bands (ev): -13.1753 -13.1753 -13.1751 -13.1751 -9.8355 -9.8355 -9.8348 -9.8348 -9.5107 -9.5107 -9.5097 -9.5097 -2.5860 -2.5860 -2.5846 -2.5846 -0.9518 -0.9518 -0.9490 -0.9490 0.2845 0.2845 0.2870 0.2870 1.0776 1.0776 1.0809 1.0809 1.3851 1.3851 1.3891 1.3891 2.5662 2.5662 2.5673 2.5673 3.3963 3.3963 3.3981 3.3981 4.1542 4.1542 4.1549 4.1549 4.9962 4.9962 4.9970 4.9970 12.6247 12.6247 12.6265 12.6265 12.8156 12.8156 12.8187 12.8187 13.3831 13.3831 k = 0.0493 0.5594 0.5379 ( 4256 PWs) bands (ev): -13.1745 -13.1745 -13.1743 -13.1743 -9.8464 -9.8464 -9.8454 -9.8454 -9.5014 -9.5014 -9.5002 -9.5002 -2.5771 -2.5771 -2.5757 -2.5757 -0.9682 -0.9682 -0.9654 -0.9654 0.2935 0.2935 0.2961 0.2961 1.0684 1.0684 1.0730 1.0730 1.3954 1.3954 1.4011 1.4011 2.5614 2.5614 2.5629 2.5629 3.4016 3.4016 3.4036 3.4036 4.1571 4.1571 4.1579 4.1579 4.9865 4.9865 4.9875 4.9875 12.6217 12.6217 12.6243 12.6243 12.8182 12.8182 12.8222 12.8222 13.3781 13.3781 k = 0.0657 0.5594 0.5379 ( 4260 PWs) bands (ev): -13.1733 -13.1733 -13.1732 -13.1732 -9.8605 -9.8605 -9.8594 -9.8594 -9.4893 -9.4893 -9.4880 -9.4880 -2.5647 -2.5647 -2.5632 -2.5632 -0.9907 -0.9907 -0.9879 -0.9879 0.3056 0.3056 0.3084 0.3084 1.0570 1.0570 1.0625 1.0625 1.4093 1.4093 1.4162 1.4162 2.5550 2.5550 2.5569 2.5569 3.4087 3.4087 3.4109 3.4109 4.1611 4.1611 4.1621 4.1621 4.9731 4.9731 4.9743 4.9743 12.6178 12.6178 12.6211 12.6211 12.8219 12.8219 12.8267 12.8267 13.3715 13.3715 k = 0.0822 0.5594 0.5379 ( 4256 PWs) bands (ev): -13.1719 -13.1719 -13.1718 -13.1718 -9.8772 -9.8772 -9.8760 -9.8760 -9.4751 -9.4751 -9.4736 -9.4736 -2.5489 -2.5489 -2.5474 -2.5474 -1.0188 -1.0188 -1.0160 -1.0160 0.3205 0.3205 0.3234 0.3234 1.0440 1.0440 1.0502 1.0502 1.4260 1.4260 1.4339 1.4339 2.5471 2.5471 2.5495 2.5495 3.4175 3.4175 3.4198 3.4198 4.1665 4.1665 4.1677 4.1677 4.9562 4.9562 4.9576 4.9576 12.6132 12.6132 12.6170 12.6170 12.8266 12.8266 12.8322 12.8322 13.3633 13.3633 k = 0.0986 0.5594 0.5379 ( 4252 PWs) bands (ev): -13.1703 -13.1703 -13.1701 -13.1701 -9.8959 -9.8959 -9.8945 -9.8945 -9.4592 -9.4592 -9.4577 -9.4577 -2.5298 -2.5298 -2.5281 -2.5281 -1.0520 -1.0520 -1.0493 -1.0493 0.3377 0.3377 0.3408 0.3408 1.0299 1.0299 1.0366 1.0366 1.4448 1.4448 1.4536 1.4536 2.5381 2.5381 2.5408 2.5408 3.4274 3.4274 3.4299 3.4299 4.1733 4.1733 4.1746 4.1746 4.9360 4.9360 4.9376 4.9376 12.6078 12.6078 12.6120 12.6120 12.8323 12.8323 12.8386 12.8386 13.3540 13.3540 k = 0.1151 0.5594 0.5379 ( 4248 PWs) bands (ev): -13.1683 -13.1683 -13.1682 -13.1682 -9.9160 -9.9160 -9.9146 -9.9146 -9.4423 -9.4423 -9.4407 -9.4407 -2.5073 -2.5073 -2.5056 -2.5056 -1.0899 -1.0899 -1.0873 -1.0873 0.3567 0.3567 0.3600 0.3600 1.0153 1.0153 1.0223 1.0223 1.4652 1.4652 1.4747 1.4747 2.5282 2.5282 2.5312 2.5312 3.4383 3.4383 3.4408 3.4408 4.1814 4.1814 4.1829 4.1829 4.9126 4.9126 4.9144 4.9144 12.6018 12.6018 12.6063 12.6063 12.8389 12.8389 12.8457 12.8457 13.3437 13.3437 k = 0.1315 0.5594 0.5379 ( 4250 PWs) bands (ev): -13.1662 -13.1662 -13.1660 -13.1660 -9.9372 -9.9372 -9.9357 -9.9357 -9.4246 -9.4246 -9.4229 -9.4229 -2.4817 -2.4817 -2.4799 -2.4799 -1.1321 -1.1321 -1.1295 -1.1295 0.3771 0.3771 0.3806 0.3806 1.0005 1.0005 1.0077 1.0077 1.4867 1.4867 1.4967 1.4967 2.5176 2.5176 2.5209 2.5209 3.4496 3.4496 3.4522 3.4522 4.1912 4.1912 4.1928 4.1928 4.8864 4.8864 4.8885 4.8885 12.5952 12.5952 12.5998 12.5998 12.8462 12.8462 12.8536 12.8536 13.3328 13.3328 k = 0.1479 0.5594 0.5379 ( 4238 PWs) bands (ev): -13.1638 -13.1638 -13.1636 -13.1636 -9.9591 -9.9591 -9.9576 -9.9576 -9.4064 -9.4064 -9.4047 -9.4047 -2.4530 -2.4530 -2.4511 -2.4511 -1.1780 -1.1780 -1.1754 -1.1754 0.3986 0.3986 0.4022 0.4022 0.9858 0.9858 0.9930 0.9930 1.5090 1.5090 1.5193 1.5193 2.5066 2.5066 2.5101 2.5101 3.4611 3.4611 3.4636 3.4636 4.2025 4.2025 4.2042 4.2042 4.8578 4.8578 4.8600 4.8600 12.5879 12.5879 12.5925 12.5925 12.8542 12.8542 12.8621 12.8621 13.3216 13.3216 k = 0.1644 0.5594 0.5379 ( 4236 PWs) bands (ev): -13.1612 -13.1612 -13.1611 -13.1611 -9.9814 -9.9814 -9.9799 -9.9799 -9.3878 -9.3878 -9.3862 -9.3862 -2.4214 -2.4214 -2.4194 -2.4194 -1.2272 -1.2272 -1.2246 -1.2246 0.4207 0.4207 0.4245 0.4245 0.9713 0.9713 0.9785 0.9785 1.5316 1.5316 1.5423 1.5423 2.4955 2.4955 2.4991 2.4991 3.4723 3.4723 3.4748 3.4748 4.2155 4.2155 4.2174 4.2174 4.8269 4.8269 4.8293 4.8293 12.5798 12.5798 12.5844 12.5844 12.8628 12.8628 12.8711 12.8711 13.3105 13.3105 k = 0.1808 0.5594 0.5379 ( 4234 PWs) bands (ev): -13.1586 -13.1586 -13.1584 -13.1584 -10.0039 -10.0039 -10.0024 -10.0024 -9.3692 -9.3692 -9.3675 -9.3675 -2.3870 -2.3870 -2.3850 -2.3850 -1.2793 -1.2793 -1.2768 -1.2768 0.4432 0.4432 0.4471 0.4471 0.9573 0.9573 0.9645 0.9645 1.5543 1.5543 1.5652 1.5652 2.4844 2.4844 2.4882 2.4882 3.4829 3.4829 3.4852 3.4852 4.2303 4.2303 4.2322 4.2322 4.7942 4.7942 4.7969 4.7969 12.5709 12.5709 12.5754 12.5754 12.8719 12.8719 12.8806 12.8806 13.2997 13.2997 k = 0.1972 0.5594 0.5379 ( 4232 PWs) bands (ev): -13.1558 -13.1558 -13.1556 -13.1556 -10.0264 -10.0264 -10.0249 -10.0249 -9.3505 -9.3505 -9.3488 -9.3488 -2.3500 -2.3500 -2.3479 -2.3479 -1.3341 -1.3341 -1.3316 -1.3316 0.4656 0.4656 0.4697 0.4697 0.9440 0.9440 0.9510 0.9510 1.5768 1.5768 1.5878 1.5878 2.4737 2.4737 2.4776 2.4776 3.4925 3.4925 3.4947 3.4947 4.2468 4.2468 4.2488 4.2488 4.7601 4.7601 4.7629 4.7629 12.5610 12.5610 12.5654 12.5654 12.8812 12.8812 12.8903 12.8903 13.2897 13.2897 k = 0.2137 0.5594 0.5379 ( 4236 PWs) bands (ev): -13.1529 -13.1529 -13.1528 -13.1528 -10.0488 -10.0488 -10.0472 -10.0472 -9.3319 -9.3319 -9.3302 -9.3302 -2.3105 -2.3105 -2.3083 -2.3083 -1.3911 -1.3911 -1.3886 -1.3886 0.4878 0.4878 0.4920 0.4920 0.9315 0.9315 0.9384 0.9384 1.5987 1.5987 1.6099 1.6099 2.4636 2.4636 2.4675 2.4675 3.5009 3.5009 3.5029 3.5029 4.2650 4.2650 4.2671 4.2671 4.7250 4.7250 4.7280 4.7280 12.5500 12.5500 12.5544 12.5544 12.8907 12.8907 12.9002 12.9002 13.2810 13.2810 k = 0.2301 0.5594 0.5379 ( 4238 PWs) bands (ev): -13.1500 -13.1500 -13.1499 -13.1499 -10.0708 -10.0708 -10.0692 -10.0692 -9.3133 -9.3133 -9.3116 -9.3116 -2.2688 -2.2688 -2.2664 -2.2664 -1.4502 -1.4502 -1.4477 -1.4477 0.5095 0.5095 0.5138 0.5138 0.9199 0.9199 0.9266 0.9266 1.6197 1.6197 1.6310 1.6310 2.4544 2.4544 2.4583 2.4583 3.5079 3.5079 3.5096 3.5096 4.2848 4.2848 4.2871 4.2871 4.6894 4.6894 4.6925 4.6925 12.5378 12.5378 12.5421 12.5421 12.9000 12.9000 12.9098 12.9098 13.2738 13.2738 k = 0.2466 0.5594 0.5379 ( 4244 PWs) bands (ev): -13.1472 -13.1472 -13.1470 -13.1470 -10.0923 -10.0923 -10.0908 -10.0908 -9.2950 -9.2950 -9.2933 -9.2933 -2.2249 -2.2249 -2.2225 -2.2225 -1.5111 -1.5111 -1.5086 -1.5086 0.5305 0.5305 0.5348 0.5348 0.9095 0.9095 0.9160 0.9160 1.6396 1.6396 1.6509 1.6509 2.4462 2.4462 2.4501 2.4501 3.5133 3.5133 3.5148 3.5148 4.3061 4.3061 4.3085 4.3085 4.6538 4.6538 4.6570 4.6570 12.5243 12.5243 12.5285 12.5285 12.9089 12.9089 12.9189 12.9189 13.2688 13.2688 k = 0.2630 0.5594 0.5379 ( 4252 PWs) bands (ev): -13.1444 -13.1444 -13.1442 -13.1442 -10.1132 -10.1132 -10.1117 -10.1117 -9.2768 -9.2768 -9.2751 -9.2751 -2.1791 -2.1791 -2.1766 -2.1766 -1.5735 -1.5735 -1.5710 -1.5710 0.5504 0.5504 0.5548 0.5548 0.9004 0.9004 0.9068 0.9068 1.6579 1.6579 1.6693 1.6693 2.4394 2.4394 2.4433 2.4433 3.5171 3.5171 3.5183 3.5183 4.3285 4.3285 4.3310 4.3310 4.6190 4.6190 4.6221 4.6221 12.5093 12.5093 12.5134 12.5134 12.9170 12.9170 12.9272 12.9272 13.2664 13.2664 k = 0.2794 0.5594 0.5379 ( 4250 PWs) bands (ev): -13.1417 -13.1417 -13.1415 -13.1415 -10.1334 -10.1334 -10.1319 -10.1319 -9.2588 -9.2588 -9.2572 -9.2572 -2.1317 -2.1317 -2.1291 -2.1291 -1.6373 -1.6373 -1.6347 -1.6347 0.5689 0.5689 0.5734 0.5734 0.8930 0.8930 0.8991 0.8991 1.6743 1.6743 1.6857 1.6857 2.4343 2.4343 2.4381 2.4381 3.5191 3.5191 3.5201 3.5201 4.3511 4.3511 4.3538 4.3538 4.5858 4.5858 4.5889 4.5889 12.4928 12.4928 12.4968 12.4968 12.9240 12.9240 12.9343 12.9343 13.2670 13.2670 k = 0.2959 0.5594 0.5379 ( 4250 PWs) bands (ev): -13.1391 -13.1391 -13.1390 -13.1390 -10.1527 -10.1527 -10.1512 -10.1512 -9.2411 -9.2411 -9.2394 -9.2394 -2.0827 -2.0827 -2.0802 -2.0802 -1.7022 -1.7022 -1.6996 -1.6996 0.5859 0.5859 0.5904 0.5904 0.8875 0.8875 0.8933 0.8933 1.6884 1.6884 1.6998 1.6998 2.4311 2.4311 2.4349 2.4349 3.5194 3.5194 3.5202 3.5202 4.3726 4.3726 4.3754 4.3754 4.5560 4.5560 4.5589 4.5589 12.4747 12.4747 12.4787 12.4787 12.9296 12.9296 12.9399 12.9399 13.2708 13.2708 k = 0.3123 0.5594 0.5379 ( 4254 PWs) bands (ev): -13.1368 -13.1368 -13.1367 -13.1367 -10.1710 -10.1710 -10.1696 -10.1696 -9.2236 -9.2236 -9.2220 -9.2220 -2.0327 -2.0327 -2.0301 -2.0301 -1.7679 -1.7679 -1.7653 -1.7653 0.6008 0.6008 0.6053 0.6053 0.8842 0.8842 0.8899 0.8899 1.6999 1.6999 1.7112 1.7112 2.4302 2.4302 2.4339 2.4339 3.5182 3.5182 3.5187 3.5187 4.3894 4.3894 4.3924 4.3924 4.5333 4.5333 4.5357 4.5357 12.4550 12.4550 12.4590 12.4590 12.9335 12.9335 12.9437 12.9437 13.2780 13.2780 k = 0.3287 0.5594 0.5379 ( 4256 PWs) bands (ev): -13.1347 -13.1347 -13.1345 -13.1345 -10.1883 -10.1883 -10.1870 -10.1870 -9.2064 -9.2064 -9.2048 -9.2048 -1.9822 -1.9822 -1.9798 -1.9798 -1.8336 -1.8336 -1.8313 -1.8313 0.6132 0.6132 0.6178 0.6178 0.8837 0.8837 0.8891 0.8891 1.7082 1.7082 1.7195 1.7195 2.4318 2.4318 2.4354 2.4354 3.5155 3.5155 3.5158 3.5158 4.3955 4.3955 4.3985 4.3985 4.5241 4.5241 4.5256 4.5256 12.4338 12.4338 12.4377 12.4377 12.9358 12.9358 12.9458 12.9458 13.2885 13.2885 k = 0.3452 0.5594 0.5379 ( 4260 PWs) bands (ev): -13.1328 -13.1328 -13.1327 -13.1327 -10.2045 -10.2045 -10.2031 -10.2031 -9.1894 -9.1894 -9.1878 -9.1878 -1.9376 -1.9376 -1.9371 -1.9371 -1.8914 -1.8914 -1.8913 -1.8913 0.6229 0.6229 0.6275 0.6275 0.8861 0.8861 0.8914 0.8914 1.7131 1.7131 1.7244 1.7244 2.4363 2.4363 2.4397 2.4397 3.5115 3.5115 3.5117 3.5117 4.3863 4.3863 4.3894 4.3894 4.5323 4.5323 4.5331 4.5331 12.4110 12.4110 12.4150 12.4150 12.9364 12.9364 12.9462 12.9462 13.3021 13.3021 k = 0.3452 0.5594 0.5379 ( 4260 PWs) bands (ev): -13.1328 -13.1328 -13.1327 -13.1327 -10.2045 -10.2045 -10.2031 -10.2031 -9.1894 -9.1894 -9.1878 -9.1878 -1.9376 -1.9376 -1.9371 -1.9371 -1.8914 -1.8914 -1.8913 -1.8913 0.6229 0.6229 0.6275 0.6275 0.8861 0.8861 0.8914 0.8914 1.7131 1.7131 1.7244 1.7244 2.4363 2.4363 2.4397 2.4397 3.5115 3.5115 3.5117 3.5117 4.3863 4.3863 4.3894 4.3894 4.5323 4.5323 4.5331 4.5331 12.4110 12.4110 12.4150 12.4150 12.9364 12.9364 12.9462 12.9462 13.3021 13.3021 k = 0.3365 0.5454 0.5379 ( 4260 PWs) bands (ev): -13.1361 -13.1361 -13.1360 -13.1360 -10.1742 -10.1742 -10.1727 -10.1727 -9.2217 -9.2217 -9.2201 -9.2201 -1.9813 -1.9813 -1.9808 -1.9808 -1.8189 -1.8189 -1.8188 -1.8188 0.6064 0.6064 0.6110 0.6110 0.8783 0.8783 0.8838 0.8838 1.7076 1.7076 1.7189 1.7189 2.4257 2.4257 2.4293 2.4293 3.5198 3.5198 3.5201 3.5201 4.4170 4.4170 4.4199 4.4199 4.5029 4.5029 4.5037 4.5037 12.4545 12.4545 12.4584 12.4584 12.9361 12.9361 12.9463 12.9463 13.2757 13.2757 k = 0.3279 0.5315 0.5379 ( 4252 PWs) bands (ev): -13.1396 -13.1396 -13.1394 -13.1394 -10.1424 -10.1424 -10.1409 -10.1409 -9.2544 -9.2544 -9.2527 -9.2527 -2.0271 -2.0271 -2.0266 -2.0266 -1.7448 -1.7448 -1.7446 -1.7446 0.5881 0.5881 0.5926 0.5926 0.8703 0.8703 0.8762 0.8762 1.7030 1.7030 1.7144 1.7144 2.4163 2.4163 2.4201 2.4201 3.5272 3.5272 3.5278 3.5278 4.4488 4.4488 4.4516 4.4516 4.4745 4.4745 4.4752 4.4752 12.4942 12.4942 12.4980 12.4980 12.9340 12.9340 12.9446 12.9446 13.2543 13.2543 k = 0.3193 0.5175 0.5379 ( 4246 PWs) bands (ev): -13.1431 -13.1431 -13.1430 -13.1430 -10.1093 -10.1093 -10.1078 -10.1078 -9.2874 -9.2874 -9.2857 -9.2857 -2.0749 -2.0749 -2.0745 -2.0745 -1.6694 -1.6694 -1.6691 -1.6691 0.5679 0.5679 0.5723 0.5723 0.8622 0.8622 0.8684 0.8684 1.6994 1.6994 1.7108 1.7108 2.4084 2.4084 2.4124 2.4124 3.5338 3.5338 3.5346 3.5346 4.4465 4.4465 4.4474 4.4474 4.4822 4.4822 4.4852 4.4852 12.5283 12.5283 12.5319 12.5319 12.9293 12.9293 12.9403 12.9403 13.2397 13.2397 k = 0.3107 0.5035 0.5379 ( 4240 PWs) bands (ev): -13.1469 -13.1469 -13.1467 -13.1467 -10.0749 -10.0749 -10.0733 -10.0733 -9.3205 -9.3205 -9.3188 -9.3188 -2.1247 -2.1247 -2.1243 -2.1243 -1.5931 -1.5931 -1.5926 -1.5926 0.5459 0.5459 0.5501 0.5501 0.8541 0.8541 0.8607 0.8607 1.6971 1.6971 1.7085 1.7085 2.4020 2.4020 2.4062 2.4062 3.5396 3.5396 3.5406 3.5406 4.4203 4.4203 4.4211 4.4211 4.5164 4.5164 4.5192 4.5192 12.5550 12.5550 12.5582 12.5582 12.9215 12.9215 12.9327 12.9327 13.2339 13.2339 k = 0.3020 0.4895 0.5379 ( 4244 PWs) bands (ev): -13.1507 -13.1507 -13.1506 -13.1506 -10.0392 -10.0392 -10.0376 -10.0376 -9.3536 -9.3536 -9.3519 -9.3519 -2.1763 -2.1763 -2.1760 -2.1760 -1.5160 -1.5160 -1.5153 -1.5153 0.5220 0.5220 0.5260 0.5260 0.8460 0.8460 0.8529 0.8529 1.6962 1.6962 1.7074 1.7074 2.3973 2.3973 2.4017 2.4017 3.5446 3.5446 3.5458 3.5458 4.3952 4.3952 4.3960 4.3960 4.5516 4.5516 4.5543 4.5543 12.5725 12.5725 12.5753 12.5753 12.9100 12.9100 12.9214 12.9214 13.2385 13.2385 k = 0.2934 0.4755 0.5379 ( 4256 PWs) bands (ev): -13.1547 -13.1547 -13.1546 -13.1546 -10.0023 -10.0023 -10.0006 -10.0006 -9.3867 -9.3867 -9.3850 -9.3850 -2.2298 -2.2298 -2.2295 -2.2295 -1.4386 -1.4386 -1.4377 -1.4377 0.4962 0.4962 0.5001 0.5001 0.8379 0.8379 0.8451 0.8451 1.6966 1.6966 1.7076 1.7076 2.3944 2.3944 2.3989 2.3989 3.5488 3.5488 3.5503 3.5503 4.3715 4.3715 4.3723 4.3723 4.5876 4.5876 4.5901 4.5901 12.5802 12.5802 12.5826 12.5826 12.8943 12.8943 12.9058 12.9058 13.2540 13.2540 k = 0.2848 0.4615 0.5379 ( 4260 PWs) bands (ev): -13.1588 -13.1588 -13.1586 -13.1586 -9.9643 -9.9643 -9.9626 -9.9626 -9.4195 -9.4195 -9.4178 -9.4178 -2.2850 -2.2850 -2.2848 -2.2848 -1.3611 -1.3611 -1.3600 -1.3600 0.4687 0.4687 0.4723 0.4723 0.8298 0.8298 0.8374 0.8374 1.6985 1.6985 1.7092 1.7092 2.3934 2.3934 2.3981 2.3981 3.5524 3.5524 3.5542 3.5542 4.3493 4.3493 4.3500 4.3500 4.6242 4.6242 4.6266 4.6266 12.5785 12.5785 12.5803 12.5803 12.8740 12.8740 12.8857 12.8857 13.2800 13.2800 k = 0.2761 0.4475 0.5379 ( 4252 PWs) bands (ev): -13.1630 -13.1630 -13.1628 -13.1628 -9.9252 -9.9252 -9.9234 -9.9234 -9.4521 -9.4521 -9.4504 -9.4504 -2.3418 -2.3418 -2.3416 -2.3416 -1.2838 -1.2838 -1.2824 -1.2824 0.4396 0.4396 0.4430 0.4430 0.8218 0.8218 0.8297 0.8297 1.7018 1.7018 1.7123 1.7123 2.3943 2.3943 2.3992 2.3992 3.5553 3.5553 3.5574 3.5574 4.3286 4.3286 4.3292 4.3292 4.6614 4.6614 4.6636 4.6636 12.5685 12.5685 12.5699 12.5699 12.8491 12.8491 12.8608 12.8608 13.3149 13.3149 k = 0.2675 0.4336 0.5379 ( 4252 PWs) bands (ev): -13.1673 -13.1673 -13.1671 -13.1671 -9.8851 -9.8851 -9.8833 -9.8833 -9.4843 -9.4843 -9.4826 -9.4826 -2.4001 -2.4001 -2.4000 -2.4000 -1.2070 -1.2070 -1.2054 -1.2054 0.4090 0.4090 0.4121 0.4121 0.8140 0.8140 0.8222 0.8222 1.7066 1.7066 1.7168 1.7168 2.3972 2.3972 2.4023 2.4023 3.5577 3.5577 3.5601 3.5601 4.3093 4.3093 4.3099 4.3099 4.6989 4.6989 4.7010 4.7010 12.5521 12.5521 12.5532 12.5532 12.8196 12.8196 12.8311 12.8311 13.3568 13.3568 k = 0.2589 0.4196 0.5379 ( 4256 PWs) bands (ev): -13.1716 -13.1716 -13.1715 -13.1715 -9.8441 -9.8441 -9.8422 -9.8422 -9.5160 -9.5160 -9.5144 -9.5144 -2.4598 -2.4598 -2.4598 -2.4598 -1.1310 -1.1310 -1.1292 -1.1292 0.3771 0.3771 0.3800 0.3800 0.8063 0.8063 0.8149 0.8149 1.7128 1.7128 1.7227 1.7227 2.4022 2.4022 2.4075 2.4075 3.5596 3.5596 3.5623 3.5623 4.2916 4.2916 4.2921 4.2921 4.7367 4.7367 4.7386 4.7386 12.5313 12.5313 12.5321 12.5321 12.7855 12.7855 12.7969 12.7969 13.4032 13.4032 k = 0.2503 0.4056 0.5379 ( 4254 PWs) bands (ev): -13.1761 -13.1761 -13.1759 -13.1759 -9.8022 -9.8022 -9.8003 -9.8003 -9.5472 -9.5472 -9.5456 -9.5456 -2.5208 -2.5208 -2.5208 -2.5208 -1.0562 -1.0562 -1.0540 -1.0540 0.3441 0.3441 0.3467 0.3467 0.7988 0.7988 0.8077 0.8077 1.7204 1.7204 1.7299 1.7299 2.4092 2.4092 2.4147 2.4147 3.5612 3.5612 3.5642 3.5642 4.2753 4.2753 4.2758 4.2758 4.7745 4.7745 4.7763 4.7763 12.5075 12.5075 12.5080 12.5080 12.7472 12.7472 12.7584 12.7584 13.4521 13.4521 k = 0.2416 0.3916 0.5379 ( 4260 PWs) bands (ev): -13.1805 -13.1805 -13.1804 -13.1804 -9.7595 -9.7595 -9.7576 -9.7576 -9.5778 -9.5778 -9.5762 -9.5762 -2.5829 -2.5829 -2.5828 -2.5828 -0.9827 -0.9827 -0.9803 -0.9803 0.3101 0.3101 0.3125 0.3125 0.7917 0.7917 0.8008 0.8008 1.7292 1.7292 1.7384 1.7384 2.4183 2.4183 2.4239 2.4239 3.5626 3.5626 3.5659 3.5659 4.2605 4.2605 4.2609 4.2609 4.8123 4.8123 4.8139 4.8139 12.4821 12.4821 12.4825 12.4825 12.7051 12.7051 12.7160 12.7160 13.5014 13.5014 k = 0.2330 0.3776 0.5379 ( 4264 PWs) bands (ev): -13.1851 -13.1851 -13.1849 -13.1849 -9.7161 -9.7161 -9.7142 -9.7142 -9.6076 -9.6076 -9.6061 -9.6061 -2.6461 -2.6461 -2.6459 -2.6459 -0.9110 -0.9110 -0.9082 -0.9082 0.2755 0.2755 0.2776 0.2776 0.7848 0.7848 0.7943 0.7943 1.7393 1.7393 1.7480 1.7480 2.4293 2.4293 2.4352 2.4352 3.5638 3.5638 3.5674 3.5674 4.2471 4.2471 4.2474 4.2474 4.8498 4.8498 4.8512 4.8512 12.4562 12.4562 12.4565 12.4565 12.6596 12.6596 12.6702 12.6702 13.5490 13.5490 k = 0.2244 0.3636 0.5379 ( 4264 PWs) bands (ev): -13.1896 -13.1896 -13.1895 -13.1895 -9.6723 -9.6723 -9.6703 -9.6703 -9.6367 -9.6367 -9.6352 -9.6352 -2.7100 -2.7100 -2.7098 -2.7098 -0.8411 -0.8411 -0.8380 -0.8380 0.2404 0.2404 0.2422 0.2422 0.7783 0.7783 0.7881 0.7881 1.7504 1.7504 1.7588 1.7588 2.4422 2.4422 2.4482 2.4482 3.5650 3.5650 3.5690 3.5690 4.2351 4.2351 4.2354 4.2354 4.8870 4.8870 4.8883 4.8883 12.4306 12.4306 12.4307 12.4307 12.6112 12.6112 12.6215 12.6215 13.5931 13.5931 k = 0.2157 0.3496 0.5379 ( 4268 PWs) bands (ev): -13.1942 -13.1942 -13.1941 -13.1941 -9.6652 -9.6652 -9.6637 -9.6637 -9.6277 -9.6277 -9.6258 -9.6258 -2.7746 -2.7746 -2.7743 -2.7743 -0.7734 -0.7734 -0.7700 -0.7700 0.2050 0.2050 0.2067 0.2067 0.7723 0.7723 0.7823 0.7823 1.7625 1.7625 1.7705 1.7705 2.4569 2.4569 2.4631 2.4631 3.5665 3.5665 3.5707 3.5707 4.2243 4.2243 4.2246 4.2246 4.9237 4.9237 4.9248 4.9248 12.4059 12.4059 12.4059 12.4059 12.5605 12.5605 12.5704 12.5704 13.6315 13.6315 k = 0.2071 0.3357 0.5379 ( 4268 PWs) bands (ev): -13.1988 -13.1988 -13.1986 -13.1986 -9.6927 -9.6927 -9.6912 -9.6912 -9.5830 -9.5830 -9.5811 -9.5811 -2.8396 -2.8396 -2.8393 -2.8393 -0.7082 -0.7082 -0.7045 -0.7045 0.1696 0.1696 0.1710 0.1710 0.7668 0.7668 0.7771 0.7771 1.7754 1.7754 1.7830 1.7830 2.4731 2.4731 2.4794 2.4794 3.5682 3.5682 3.5728 3.5728 4.2148 4.2148 4.2150 4.2150 4.9598 4.9598 4.9607 4.9607 12.3826 12.3826 12.3826 12.3826 12.5079 12.5079 12.5175 12.5175 13.6622 13.6622 k = 0.1985 0.3217 0.5379 ( 4268 PWs) bands (ev): -13.2033 -13.2033 -13.2032 -13.2032 -9.7193 -9.7193 -9.7178 -9.7178 -9.5380 -9.5380 -9.5361 -9.5361 -2.9049 -2.9049 -2.9045 -2.9045 -0.6456 -0.6456 -0.6415 -0.6415 0.1343 0.1343 0.1356 0.1356 0.7619 0.7619 0.7724 0.7724 1.7890 1.7890 1.7962 1.7962 2.4907 2.4907 2.4972 2.4972 3.5704 3.5704 3.5753 3.5753 4.2065 4.2065 4.2066 4.2066 4.9951 4.9951 4.9959 4.9959 12.3610 12.3610 12.3611 12.3611 12.4541 12.4541 12.4632 12.4632 13.6833 13.6833 k = 0.1898 0.3077 0.5379 ( 4264 PWs) bands (ev): -13.2079 -13.2079 -13.2077 -13.2077 -9.7449 -9.7449 -9.7435 -9.7435 -9.4929 -9.4929 -9.4910 -9.4910 -2.9703 -2.9703 -2.9698 -2.9698 -0.5858 -0.5858 -0.5814 -0.5814 0.0994 0.0994 0.1005 0.1005 0.7577 0.7577 0.7684 0.7684 1.8032 1.8032 1.8101 1.8101 2.5094 2.5094 2.5160 2.5160 3.5732 3.5732 3.5784 3.5784 4.1992 4.1992 4.1993 4.1993 5.0296 5.0296 5.0302 5.0302 12.3416 12.3416 12.3417 12.3417 12.3995 12.3995 12.4081 12.4081 13.6931 13.6931 k = 0.1812 0.2937 0.5379 ( 4276 PWs) bands (ev): -13.2124 -13.2124 -13.2122 -13.2122 -9.7696 -9.7696 -9.7683 -9.7683 -9.4479 -9.4479 -9.4460 -9.4460 -3.0355 -3.0355 -3.0350 -3.0350 -0.5291 -0.5291 -0.5244 -0.5244 0.0650 0.0650 0.0659 0.0659 0.7542 0.7542 0.7650 0.7650 1.8179 1.8179 1.8243 1.8243 2.5290 2.5290 2.5357 2.5357 3.5768 3.5768 3.5823 3.5823 4.1929 4.1929 4.1930 4.1930 5.0630 5.0630 5.0635 5.0635 12.3241 12.3241 12.3245 12.3245 12.3450 12.3450 12.3526 12.3526 13.6909 13.6909 k = 0.1726 0.2797 0.5379 ( 4276 PWs) bands (ev): -13.2168 -13.2168 -13.2166 -13.2166 -9.7933 -9.7933 -9.7920 -9.7920 -9.4030 -9.4030 -9.4011 -9.4011 -3.1003 -3.1003 -3.0997 -3.0997 -0.4754 -0.4754 -0.4705 -0.4705 0.0313 0.0313 0.0321 0.0321 0.7515 0.7515 0.7624 0.7624 1.8329 1.8329 1.8390 1.8390 2.5491 2.5491 2.5559 2.5559 3.5815 3.5815 3.5872 3.5872 4.1876 4.1876 4.1876 4.1876 5.0954 5.0954 5.0957 5.0957 12.2880 12.2880 12.2967 12.2967 12.3103 12.3103 12.3114 12.3114 13.6769 13.6769 k = 0.1640 0.2657 0.5379 ( 4284 PWs) bands (ev): -13.2211 -13.2211 -13.2210 -13.2210 -9.8160 -9.8160 -9.8147 -9.8147 -9.3585 -9.3585 -9.3566 -9.3566 -3.1645 -3.1645 -3.1638 -3.1638 -0.4251 -0.4251 -0.4199 -0.4199 -0.0015 -0.0015 -0.0008 -0.0008 0.7496 0.7496 0.7607 0.7607 1.8481 1.8481 1.8538 1.8538 2.5694 2.5694 2.5763 2.5763 3.5872 3.5872 3.5932 3.5932 4.1830 4.1830 4.1831 4.1831 5.1265 5.1265 5.1267 5.1267 12.2338 12.2338 12.2418 12.2418 12.2982 12.2982 12.2990 12.2990 13.6525 13.6525 k = 0.1553 0.2517 0.5379 ( 4280 PWs) bands (ev): -13.2253 -13.2253 -13.2252 -13.2252 -9.8376 -9.8376 -9.8364 -9.8364 -9.3144 -9.3144 -9.3126 -9.3126 -3.2277 -3.2277 -3.2271 -3.2271 -0.3780 -0.3780 -0.3726 -0.3726 -0.0333 -0.0333 -0.0327 -0.0327 0.7487 0.7487 0.7597 0.7597 1.8633 1.8633 1.8687 1.8687 2.5896 2.5896 2.5965 2.5965 3.5943 3.5943 3.6004 3.6004 4.1793 4.1793 4.1794 4.1794 5.1564 5.1564 5.1564 5.1564 12.1800 12.1800 12.1875 12.1875 12.2889 12.2889 12.2897 12.2897 13.6195 13.6195 k = 0.1467 0.2378 0.5379 ( 4264 PWs) bands (ev): -13.2295 -13.2295 -13.2293 -13.2293 -9.8581 -9.8581 -9.8569 -9.8569 -9.2710 -9.2710 -9.2692 -9.2692 -3.2899 -3.2899 -3.2892 -3.2892 -0.3344 -0.3344 -0.3288 -0.3288 -0.0639 -0.0639 -0.0635 -0.0635 0.7486 0.7486 0.7596 0.7596 1.8786 1.8786 1.8836 1.8836 2.6093 2.6093 2.6162 2.6162 3.6027 3.6027 3.6089 3.6089 4.1762 4.1762 4.1764 4.1764 5.1847 5.1847 5.1849 5.1849 12.1273 12.1273 12.1343 12.1343 12.2822 12.2822 12.2831 12.2831 13.5801 13.5801 k = 0.1381 0.2238 0.5379 ( 4256 PWs) bands (ev): -13.2334 -13.2334 -13.2333 -13.2333 -9.8775 -9.8775 -9.8764 -9.8764 -9.2285 -9.2285 -9.2268 -9.2268 -3.3506 -3.3506 -3.3499 -3.3499 -0.2942 -0.2942 -0.2885 -0.2885 -0.0933 -0.0933 -0.0930 -0.0930 0.7495 0.7495 0.7603 0.7603 1.8936 1.8936 1.8984 1.8984 2.6283 2.6283 2.6352 2.6352 3.6125 3.6125 3.6189 3.6189 4.1738 4.1738 4.1740 4.1740 5.2116 5.2116 5.2119 5.2119 12.0759 12.0759 12.0825 12.0825 12.2782 12.2782 12.2790 12.2790 13.5366 13.5366 k = 0.1294 0.2098 0.5379 ( 4256 PWs) bands (ev): -13.2373 -13.2373 -13.2372 -13.2372 -9.8958 -9.8958 -9.8948 -9.8948 -9.1871 -9.1871 -9.1854 -9.1854 -3.4096 -3.4096 -3.4089 -3.4089 -0.2574 -0.2574 -0.2516 -0.2516 -0.1214 -0.1214 -0.1211 -0.1211 0.7513 0.7513 0.7619 0.7619 1.9084 1.9084 1.9128 1.9128 2.6463 2.6463 2.6530 2.6530 3.6238 3.6238 3.6302 3.6302 4.1719 4.1719 4.1721 4.1721 5.2370 5.2370 5.2373 5.2373 12.0263 12.0263 12.0325 12.0325 12.2765 12.2765 12.2774 12.2774 13.4907 13.4907 k = 0.1208 0.1958 0.5379 ( 4260 PWs) bands (ev): -13.2410 -13.2410 -13.2408 -13.2408 -9.9129 -9.9129 -9.9120 -9.9120 -9.1469 -9.1469 -9.1453 -9.1453 -3.4667 -3.4667 -3.4659 -3.4659 -0.2240 -0.2240 -0.2182 -0.2182 -0.1479 -0.1479 -0.1478 -0.1478 0.7539 0.7539 0.7642 0.7642 1.9228 1.9228 1.9269 1.9269 2.6630 2.6630 2.6695 2.6695 3.6365 3.6365 3.6428 3.6428 4.1705 4.1705 4.1707 4.1707 5.2608 5.2608 5.2612 5.2612 11.9786 11.9786 11.9844 11.9844 12.2772 12.2772 12.2781 12.2781 13.4442 13.4442 k = 0.1122 0.1818 0.5379 ( 4260 PWs) bands (ev): -13.2445 -13.2445 -13.2443 -13.2443 -9.9289 -9.9289 -9.9281 -9.9281 -9.1082 -9.1082 -9.1066 -9.1066 -3.5215 -3.5215 -3.5207 -3.5207 -0.1943 -0.1943 -0.1882 -0.1882 -0.1728 -0.1728 -0.1725 -0.1725 0.7573 0.7573 0.7673 0.7673 1.9367 1.9367 1.9405 1.9405 2.6783 2.6783 2.6846 2.6846 3.6504 3.6504 3.6567 3.6567 4.1695 4.1695 4.1697 4.1697 5.2829 5.2829 5.2834 5.2834 11.9332 11.9332 11.9386 11.9386 12.2798 12.2798 12.2807 12.2807 13.3983 13.3983 k = 0.1036 0.1678 0.5379 ( 4260 PWs) bands (ev): -13.2478 -13.2478 -13.2477 -13.2477 -9.9438 -9.9438 -9.9430 -9.9430 -9.0711 -9.0711 -9.0696 -9.0696 -3.5737 -3.5737 -3.5730 -3.5730 -0.1970 -0.1970 -0.1965 -0.1965 -0.1661 -0.1661 -0.1610 -0.1610 0.7614 0.7614 0.7709 0.7709 1.9501 1.9501 1.9535 1.9535 2.6920 2.6920 2.6981 2.6981 3.6655 3.6655 3.6715 3.6715 4.1689 4.1689 4.1691 4.1691 5.3034 5.3034 5.3040 5.3040 11.8903 11.8903 11.8953 11.8953 12.2841 12.2841 12.2851 12.2851 13.3543 13.3543 k = 0.0949 0.1538 0.5379 ( 4260 PWs) bands (ev): -13.2509 -13.2509 -13.2508 -13.2508 -9.9575 -9.9575 -9.9567 -9.9567 -9.0360 -9.0360 -9.0346 -9.0346 -3.6232 -3.6232 -3.6224 -3.6224 -0.2186 -0.2186 -0.2183 -0.2183 -0.1423 -0.1423 -0.1372 -0.1372 0.7660 0.7660 0.7751 0.7751 1.9627 1.9627 1.9659 1.9659 2.7042 2.7042 2.7099 2.7099 3.6813 3.6813 3.6871 3.6871 4.1685 4.1685 4.1688 4.1688 5.3222 5.3222 5.3228 5.3228 11.8500 11.8500 11.8546 11.8546 12.2898 12.2898 12.2907 12.2907 13.3130 13.3130 k = 0.0863 0.1399 0.5379 ( 4258 PWs) bands (ev): -13.2537 -13.2537 -13.2537 -13.2537 -9.9700 -9.9700 -9.9693 -9.9693 -9.0029 -9.0029 -9.0016 -9.0016 -3.6695 -3.6695 -3.6688 -3.6688 -0.2385 -0.2385 -0.2383 -0.2383 -0.1212 -0.1212 -0.1163 -0.1163 0.7711 0.7711 0.7795 0.7795 1.9746 1.9746 1.9774 1.9774 2.7147 2.7147 2.7200 2.7200 3.6977 3.6977 3.7031 3.7031 4.1684 4.1684 4.1686 4.1686 5.3393 5.3393 5.3400 5.3400 11.8127 11.8127 11.8168 11.8168 12.2964 12.2964 12.2973 12.2973 13.2750 13.2750 k = 0.0777 0.1259 0.5379 ( 4254 PWs) bands (ev): -13.2564 -13.2564 -13.2563 -13.2563 -9.9813 -9.9813 -9.9807 -9.9807 -8.9722 -8.9722 -8.9710 -8.9710 -3.7123 -3.7123 -3.7117 -3.7117 -0.2568 -0.2568 -0.2566 -0.2566 -0.1027 -0.1027 -0.0981 -0.0981 0.7764 0.7764 0.7842 0.7842 1.9856 1.9856 1.9881 1.9881 2.7237 2.7237 2.7286 2.7286 3.7142 3.7142 3.7193 3.7193 4.1685 4.1685 4.1687 4.1687 5.3548 5.3548 5.3554 5.3554 11.7783 11.7783 11.7821 11.7821 12.3036 12.3036 12.3045 12.3045 13.2410 13.2410 k = 0.0690 0.1119 0.5379 ( 4242 PWs) bands (ev): -13.2588 -13.2588 -13.2587 -13.2587 -9.9915 -9.9915 -9.9909 -9.9909 -8.9440 -8.9440 -8.9429 -8.9429 -3.7516 -3.7516 -3.7510 -3.7510 -0.2732 -0.2732 -0.2731 -0.2731 -0.0867 -0.0867 -0.0825 -0.0825 0.7818 0.7818 0.7889 0.7889 1.9956 1.9956 1.9979 1.9979 2.7313 2.7313 2.7358 2.7358 3.7304 3.7304 3.7351 3.7351 4.1687 4.1687 4.1689 4.1689 5.3685 5.3685 5.3691 5.3691 11.7472 11.7472 11.7506 11.7506 12.3109 12.3109 12.3117 12.3117 13.2112 13.2112 k = 0.0604 0.0979 0.5379 ( 4246 PWs) bands (ev): -13.2609 -13.2609 -13.2609 -13.2609 -10.0004 -10.0004 -9.9999 -9.9999 -8.9186 -8.9186 -8.9176 -8.9176 -3.7869 -3.7869 -3.7863 -3.7863 -0.2878 -0.2878 -0.2877 -0.2877 -0.0730 -0.0730 -0.0693 -0.0693 0.7872 0.7872 0.7935 0.7935 2.0047 2.0047 2.0067 2.0067 2.7376 2.7376 2.7415 2.7415 3.7460 3.7460 3.7501 3.7501 4.1690 4.1690 4.1691 4.1691 5.3805 5.3805 5.3811 5.3811 11.7194 11.7194 11.7224 11.7224 12.3180 12.3180 12.3187 12.3187 13.1860 13.1860 k = 0.0518 0.0839 0.5379 ( 4246 PWs) bands (ev): -13.2628 -13.2628 -13.2627 -13.2627 -10.0082 -10.0082 -10.0078 -10.0078 -8.8961 -8.8961 -8.8952 -8.8952 -3.8180 -3.8180 -3.8175 -3.8175 -0.3005 -0.3005 -0.3004 -0.3004 -0.0615 -0.0615 -0.0582 -0.0582 0.7923 0.7923 0.7977 0.7977 2.0127 2.0127 2.0144 2.0144 2.7427 2.7427 2.7461 2.7461 3.7605 3.7605 3.7641 3.7641 4.1693 4.1693 4.1694 4.1694 5.3909 5.3909 5.3915 5.3915 11.6952 11.6952 11.6977 11.6977 12.3245 12.3245 12.3252 12.3252 13.1651 13.1651 k = 0.0431 0.0699 0.5379 ( 4246 PWs) bands (ev): -13.2644 -13.2644 -13.2644 -13.2644 -10.0148 -10.0148 -10.0144 -10.0144 -8.8767 -8.8767 -8.8760 -8.8760 -3.8447 -3.8447 -3.8443 -3.8443 -0.3112 -0.3112 -0.3112 -0.3112 -0.0520 -0.0520 -0.0493 -0.0493 0.7969 0.7969 0.8015 0.8015 2.0196 2.0196 2.0210 2.0210 2.7467 2.7467 2.7496 2.7496 3.7735 3.7735 3.7766 3.7766 4.1696 4.1696 4.1698 4.1698 5.3997 5.3997 5.4002 5.4002 11.6744 11.6744 11.6765 11.6765 12.3302 12.3302 12.3308 12.3308 13.1485 13.1485 k = 0.0345 0.0559 0.5379 ( 4246 PWs) bands (ev): -13.2657 -13.2657 -13.2657 -13.2657 -10.0201 -10.0201 -10.0198 -10.0198 -8.8606 -8.8606 -8.8600 -8.8600 -3.8668 -3.8668 -3.8665 -3.8665 -0.3201 -0.3201 -0.3201 -0.3201 -0.0444 -0.0444 -0.0422 -0.0422 0.8010 0.8010 0.8048 0.8048 2.0253 2.0253 2.0265 2.0265 2.7499 2.7499 2.7522 2.7522 3.7848 3.7848 3.7873 3.7873 4.1700 4.1700 4.1701 4.1701 5.4068 5.4068 5.4072 5.4072 11.6574 11.6574 11.6591 11.6591 12.3350 12.3350 12.3354 12.3354 13.1359 13.1359 k = 0.0259 0.0420 0.5379 ( 4230 PWs) bands (ev): -13.2668 -13.2668 -13.2667 -13.2667 -10.0243 -10.0243 -10.0241 -10.0241 -8.8479 -8.8479 -8.8474 -8.8474 -3.8842 -3.8842 -3.8840 -3.8840 -0.3270 -0.3270 -0.3270 -0.3270 -0.0385 -0.0385 -0.0368 -0.0368 0.8045 0.8045 0.8073 0.8073 2.0299 2.0299 2.0307 2.0307 2.7523 2.7523 2.7541 2.7541 3.7940 3.7940 3.7959 3.7959 4.1702 4.1702 4.1703 4.1703 5.4123 5.4123 5.4126 5.4126 11.6441 11.6441 11.6454 11.6454 12.3387 12.3387 12.3390 12.3390 13.1268 13.1268 k = 0.0173 0.0280 0.5379 ( 4230 PWs) bands (ev): -13.2675 -13.2675 -13.2675 -13.2675 -10.0273 -10.0273 -10.0271 -10.0271 -8.8387 -8.8387 -8.8384 -8.8384 -3.8967 -3.8967 -3.8966 -3.8966 -0.3319 -0.3319 -0.3319 -0.3319 -0.0343 -0.0343 -0.0332 -0.0332 0.8072 0.8072 0.8090 0.8090 2.0332 2.0332 2.0337 2.0337 2.7540 2.7540 2.7552 2.7552 3.8008 3.8008 3.8021 3.8021 4.1705 4.1705 4.1705 4.1705 5.4163 5.4163 5.4165 5.4165 11.6347 11.6347 11.6355 11.6355 12.3413 12.3413 12.3415 12.3415 13.1207 13.1207 k = 0.0086 0.0140 0.5379 ( 4234 PWs) bands (ev): -13.2679 -13.2679 -13.2679 -13.2679 -10.0290 -10.0290 -10.0290 -10.0290 -8.8331 -8.8331 -8.8330 -8.8330 -3.9043 -3.9043 -3.9042 -3.9042 -0.3349 -0.3349 -0.3349 -0.3349 -0.0317 -0.0317 -0.0312 -0.0312 0.8090 0.8090 0.8099 0.8099 2.0352 2.0352 2.0355 2.0355 2.7551 2.7551 2.7557 2.7557 3.8051 3.8051 3.8057 3.8057 4.1706 4.1706 4.1706 4.1706 5.4187 5.4187 5.4188 5.4188 11.6290 11.6290 11.6295 11.6295 12.3428 12.3428 12.3429 12.3429 13.1172 13.1173 k = 0.0000 0.0000 0.5379 ( 4228 PWs) bands (ev): -13.2681 -13.2681 -13.2681 -13.2681 -10.0296 -10.0296 -10.0296 -10.0296 -8.8312 -8.8312 -8.8312 -8.8312 -3.9068 -3.9068 -3.9068 -3.9068 -0.3359 -0.3359 -0.3359 -0.3359 -0.0307 -0.0307 -0.0307 -0.0307 0.8099 0.8099 0.8099 0.8099 2.0360 2.0360 2.0360 2.0360 2.7557 2.7557 2.7557 2.7557 3.8067 3.8067 3.8067 3.8067 4.1707 4.1707 4.1707 4.1707 5.4195 5.4195 5.4195 5.4195 11.6273 11.6273 11.6273 11.6273 12.3434 12.3434 12.3434 12.3434 13.1161 13.1161 k = 0.0000 0.0000 0.5379 ( 4228 PWs) bands (ev): -13.2681 -13.2681 -13.2681 -13.2681 -10.0296 -10.0296 -10.0296 -10.0296 -8.8312 -8.8312 -8.8312 -8.8312 -3.9068 -3.9068 -3.9068 -3.9068 -0.3359 -0.3359 -0.3359 -0.3359 -0.0307 -0.0307 -0.0307 -0.0307 0.8099 0.8099 0.8099 0.8099 2.0360 2.0360 2.0360 2.0360 2.7557 2.7557 2.7557 2.7557 3.8067 3.8067 3.8067 3.8067 4.1707 4.1707 4.1707 4.1707 5.4195 5.4195 5.4195 5.4195 11.6273 11.6273 11.6273 11.6273 12.3434 12.3434 12.3434 12.3434 13.1161 13.1161 k = 0.0000 0.0000 0.5216 ( 4228 PWs) bands (ev): -13.2825 -13.2825 -13.2538 -13.2538 -10.0707 -10.0707 -9.9874 -9.9874 -8.8384 -8.8384 -8.8246 -8.8246 -3.9065 -3.9065 -3.9043 -3.9043 -0.3586 -0.3586 -0.3127 -0.3127 -0.1307 -0.1307 0.0581 0.0581 0.8116 0.8116 0.8195 0.8195 2.0070 2.0070 2.0602 2.0602 2.7542 2.7542 2.7590 2.7590 3.7964 3.7964 3.8168 3.8168 4.1472 4.1472 4.1931 4.1931 5.4008 5.4008 5.4368 5.4368 11.6204 11.6204 11.6442 11.6442 12.3310 12.3310 12.3550 12.3550 13.0730 13.0730 k = 0.0000 0.0000 0.5053 ( 4234 PWs) bands (ev): -13.2971 -13.2971 -13.2396 -13.2396 -10.1106 -10.1106 -9.9441 -9.9441 -8.8460 -8.8460 -8.8186 -8.8186 -3.9036 -3.9036 -3.8992 -3.8992 -0.3810 -0.3810 -0.2894 -0.2894 -0.2386 -0.2386 0.1320 0.1320 0.8216 0.8216 0.8434 0.8434 1.9733 1.9733 2.0795 2.0795 2.7544 2.7544 2.7642 2.7642 3.7860 3.7860 3.8267 3.8267 4.1229 4.1229 4.2145 4.2145 5.3808 5.3808 5.4527 5.4527 11.6234 11.6234 11.6708 11.6708 12.3188 12.3188 12.3645 12.3645 13.0294 13.0294 k = 0.0000 0.0000 0.4890 ( 4234 PWs) bands (ev): -13.3118 -13.3118 -13.2257 -13.2257 -10.1493 -10.1493 -9.8997 -9.8997 -8.8542 -8.8542 -8.8131 -8.8131 -3.8979 -3.8979 -3.8915 -3.8915 -0.4027 -0.4027 -0.3525 -0.3525 -0.2654 -0.2654 0.1885 0.1885 0.8377 0.8377 0.8840 0.8840 1.9352 1.9352 2.0938 2.0938 2.7560 2.7560 2.7717 2.7717 3.7753 3.7753 3.8363 3.8363 4.0977 4.0977 4.2348 4.2348 5.3596 5.3596 5.4672 5.4672 11.6364 11.6364 11.7071 11.7071 12.3074 12.3074 12.3698 12.3698 12.9882 12.9882 k = 0.0000 0.0000 0.4727 ( 4238 PWs) bands (ev): -13.3265 -13.3265 -13.2121 -13.2121 -10.1867 -10.1867 -9.8544 -9.8544 -8.8627 -8.8627 -8.8082 -8.8082 -3.8895 -3.8895 -3.8814 -3.8814 -0.4696 -0.4696 -0.4238 -0.4238 -0.2417 -0.2417 0.2269 0.2269 0.8583 0.8583 0.9416 0.9416 1.8929 1.8929 2.1029 2.1029 2.7588 2.7588 2.7816 2.7816 3.7646 3.7646 3.8456 3.8456 4.0720 4.0720 4.2541 4.2541 5.3371 5.3371 5.4804 5.4804 11.6591 11.6591 11.7527 11.7527 12.2971 12.2971 12.3686 12.3686 12.9526 12.9526 k = 0.0000 0.0000 0.4564 ( 4234 PWs) bands (ev): -13.3412 -13.3412 -13.1987 -13.1987 -10.2229 -10.2229 -9.8082 -9.8082 -8.8717 -8.8717 -8.8039 -8.8039 -3.8783 -3.8783 -3.8689 -3.8689 -0.5891 -0.5891 -0.4442 -0.4442 -0.2180 -0.2180 0.2491 0.2491 0.8823 0.8823 1.0138 1.0138 1.8466 1.8466 2.1068 2.1068 2.7627 2.7627 2.7942 2.7942 3.7537 3.7537 3.8546 3.8546 4.0459 4.0459 4.2724 4.2724 5.3136 5.3136 5.4921 5.4921 11.6916 11.6916 11.8074 11.8074 12.2884 12.2884 12.3581 12.3581 12.9260 12.9260 k = 0.0000 0.0000 0.4401 ( 4234 PWs) bands (ev): -13.3559 -13.3559 -13.1856 -13.1856 -10.2578 -10.2578 -9.7612 -9.7612 -8.8810 -8.8810 -8.8002 -8.8002 -3.8644 -3.8644 -3.8541 -3.8541 -0.7099 -0.7099 -0.4637 -0.4637 -0.1943 -0.1943 0.2588 0.2588 0.9088 0.9088 1.0965 1.0965 1.7964 1.7964 2.1055 2.1055 2.7675 2.7675 2.8097 2.8097 3.7427 3.7427 3.8633 3.8633 4.0197 4.0197 4.2898 4.2898 5.2890 5.2890 5.5025 5.5025 11.7334 11.7334 11.8707 11.8707 12.2812 12.2812 12.3361 12.3361 12.9114 12.9114 k = 0.0000 0.0000 0.4238 ( 4236 PWs) bands (ev): -13.3705 -13.3705 -13.1729 -13.1729 -10.2913 -10.2913 -9.7135 -9.7135 -8.8907 -8.8907 -8.7970 -8.7970 -3.8480 -3.8480 -3.8371 -3.8371 -0.8311 -0.8311 -0.4822 -0.4822 -0.1708 -0.1708 0.2593 0.2593 0.9373 0.9373 1.1857 1.1857 1.7428 1.7428 2.0988 2.0988 2.7730 2.7730 2.8285 2.8285 3.7317 3.7317 3.8718 3.8718 3.9937 3.9937 4.3064 4.3064 5.2636 5.2636 5.5115 5.5115 11.7844 11.7844 11.9422 11.9422 12.2757 12.2757 12.3019 12.3019 12.9099 12.9099 k = 0.0000 0.0000 0.4075 ( 4246 PWs) bands (ev): -13.3850 -13.3850 -13.1605 -13.1605 -10.3236 -10.3236 -9.6651 -9.6651 -8.9006 -8.9006 -8.7944 -8.7944 -3.8289 -3.8289 -3.8182 -3.8182 -0.9521 -0.9521 -0.4998 -0.4998 -0.1475 -0.1475 0.2537 0.2537 0.9674 0.9674 1.2781 1.2781 1.6858 1.6858 2.0870 2.0870 2.7791 2.7791 2.8508 2.8508 3.7207 3.7207 3.8798 3.8798 3.9680 3.9680 4.3223 4.3223 5.2374 5.2374 5.5193 5.5193 11.8442 11.8442 12.0215 12.0215 12.2563 12.2563 12.2719 12.2719 12.9210 12.9210 k = 0.0000 0.0000 0.3912 ( 4246 PWs) bands (ev): -13.3993 -13.3993 -13.1484 -13.1484 -10.3545 -10.3545 -9.6163 -9.6163 -8.9107 -8.9107 -8.7924 -8.7924 -3.8074 -3.8074 -3.7974 -3.7974 -1.0725 -1.0725 -0.5162 -0.5162 -0.1246 -0.1246 0.2439 0.2439 0.9988 0.9988 1.3710 1.3710 1.6260 1.6260 2.0700 2.0700 2.7856 2.7856 2.8769 2.8769 3.7097 3.7097 3.8875 3.8875 3.9431 3.9431 4.3376 4.3376 5.2105 5.2105 5.5259 5.5259 11.9124 11.9124 12.1078 12.1078 12.2017 12.2017 12.2697 12.2697 12.9429 12.9429 k = 0.0000 0.0000 0.3749 ( 4252 PWs) bands (ev): -13.4135 -13.4135 -13.1368 -13.1368 -10.3841 -10.3841 -9.5671 -9.5671 -8.9209 -8.9209 -8.7908 -8.7908 -3.7835 -3.7835 -3.7750 -3.7750 -1.1917 -1.1917 -0.5315 -0.5315 -0.1022 -0.1022 0.2314 0.2314 1.0311 1.0311 1.4625 1.4625 1.5636 1.5636 2.0480 2.0480 2.7923 2.7923 2.9071 2.9071 3.6988 3.6988 3.8941 3.8941 3.9198 3.9198 4.3523 4.3523 5.1832 5.1832 5.5315 5.5315 11.9886 11.9886 12.1401 12.1401 12.2005 12.2005 12.2690 12.2690 12.9735 12.9735 k = 0.0000 0.0000 0.3586 ( 4260 PWs) bands (ev): -13.4274 -13.4274 -13.1256 -13.1256 -10.4123 -10.4123 -9.5176 -9.5176 -8.9313 -8.9313 -8.7898 -8.7898 -3.7574 -3.7574 -3.7511 -3.7511 -1.3093 -1.3093 -0.5456 -0.5456 -0.0803 -0.0803 0.2172 0.2172 1.0642 1.0642 1.4989 1.4989 1.5510 1.5510 2.0212 2.0212 2.7992 2.7992 2.9415 2.9415 3.6880 3.6880 3.8915 3.8915 3.9065 3.9065 4.3666 4.3666 5.1554 5.1554 5.5360 5.5360 12.0711 12.0711 12.0748 12.0748 12.2696 12.2696 12.2986 12.2986 13.0110 13.0110 k = 0.0000 0.0000 0.3423 ( 4264 PWs) bands (ev): -13.4410 -13.4410 -13.1148 -13.1148 -10.4392 -10.4392 -9.4680 -9.4680 -8.9416 -8.9416 -8.7892 -8.7892 -3.7292 -3.7292 -3.7259 -3.7259 -1.4249 -1.4249 -0.5583 -0.5583 -0.0590 -0.0590 0.2019 0.2019 1.0979 1.0979 1.4324 1.4324 1.6354 1.6354 1.9898 1.9898 2.8059 2.8059 2.9805 2.9805 3.6773 3.6773 3.8720 3.8720 3.9112 3.9112 4.3806 4.3806 5.1275 5.1275 5.5396 5.5396 12.0040 12.0040 12.1630 12.1630 12.2717 12.2717 12.4006 12.4006 13.0539 13.0539 k = 0.0000 0.0000 0.3260 ( 4262 PWs) bands (ev): -13.4543 -13.4543 -13.1044 -13.1044 -10.4648 -10.4648 -9.4186 -9.4186 -8.9520 -8.9520 -8.7890 -8.7890 -3.6996 -3.6996 -3.6991 -3.6991 -1.5383 -1.5383 -0.5696 -0.5696 -0.0384 -0.0384 0.1861 0.1861 1.1319 1.1319 1.3644 1.3644 1.7148 1.7148 1.9542 1.9542 2.8124 2.8124 3.0238 3.0238 3.6669 3.6669 3.8518 3.8518 3.9176 3.9176 4.3942 4.3942 5.0995 5.0995 5.5424 5.5424 11.9323 11.9323 12.2602 12.2602 12.2748 12.2748 12.5047 12.5047 13.1010 13.1010 k = 0.0000 0.0000 0.3097 ( 4262 PWs) bands (ev): -13.4673 -13.4673 -13.0945 -13.0945 -10.4891 -10.4891 -9.3693 -9.3693 -8.9622 -8.9622 -8.7892 -8.7892 -3.6724 -3.6724 -3.6673 -3.6673 -1.6491 -1.6491 -0.5795 -0.5795 -0.0187 -0.0187 0.1701 0.1701 1.1663 1.1663 1.2954 1.2954 1.7885 1.7885 1.9147 1.9147 2.8185 2.8185 3.0715 3.0715 3.6566 3.6566 3.8329 3.8329 3.9241 3.9241 4.4076 4.4076 5.0716 5.0716 5.5446 5.5446 11.8597 11.8597 12.2788 12.2788 12.3634 12.3634 12.6073 12.6073 13.1513 13.1513 k = 0.0000 0.0000 0.2934 ( 4266 PWs) bands (ev): -13.4798 -13.4798 -13.0851 -13.0851 -10.5120 -10.5120 -9.3205 -9.3205 -8.9724 -8.9724 -8.7897 -8.7897 -3.6445 -3.6445 -3.6340 -3.6340 -1.7568 -1.7568 -0.5879 -0.5879 0.0002 0.0002 0.1542 0.1542 1.2005 1.2005 1.2259 1.2259 1.8563 1.8563 1.8720 1.8720 2.8241 2.8241 3.1231 3.1231 3.6466 3.6466 3.8155 3.8155 3.9304 3.9304 4.4208 4.4208 5.0439 5.0439 5.5462 5.5462 11.7867 11.7867 12.2836 12.2836 12.4719 12.4719 12.7011 12.7011 13.1742 13.1742 k = 0.0000 0.0000 0.2771 ( 4268 PWs) bands (ev): -13.4919 -13.4919 -13.0761 -13.0761 -10.5336 -10.5336 -9.2723 -9.2723 -8.9823 -8.9823 -8.7906 -8.7906 -3.6163 -3.6163 -3.5994 -3.5994 -1.8613 -1.8613 -0.5948 -0.5948 0.0180 0.0180 0.1386 0.1386 1.1558 1.1558 1.2352 1.2352 1.8260 1.8260 1.9182 1.9182 2.8291 2.8291 3.1781 3.1781 3.6371 3.6371 3.7995 3.7995 3.9366 3.9366 4.4338 4.4338 5.0167 5.0167 5.5474 5.5474 11.7142 11.7142 12.2890 12.2890 12.5851 12.5851 12.7716 12.7716 13.1589 13.1589 k = 0.0000 0.0000 0.2608 ( 4256 PWs) bands (ev): -13.5035 -13.5035 -13.0676 -13.0676 -10.5539 -10.5539 -9.2249 -9.2249 -8.9919 -8.9919 -8.7916 -8.7916 -3.5879 -3.5879 -3.5638 -3.5638 -1.9622 -1.9622 -0.6001 -0.6001 0.0348 0.0348 0.1234 0.1234 1.0865 1.0865 1.2693 1.2693 1.7778 1.7778 1.9741 1.9741 2.8333 2.8333 3.2358 3.2358 3.6280 3.6280 3.7851 3.7851 3.9426 3.9426 4.4465 4.4465 4.9900 4.9900 5.5483 5.5483 11.6425 11.6425 12.2948 12.2948 12.7025 12.7025 12.7984 12.7984 13.1443 13.1443 k = 0.0000 0.0000 0.2445 ( 4248 PWs) bands (ev): -13.5147 -13.5147 -13.0596 -13.0596 -10.5729 -10.5729 -9.1785 -9.1785 -9.0013 -9.0013 -8.7929 -8.7929 -3.5595 -3.5595 -3.5274 -3.5274 -2.0592 -2.0592 -0.6040 -0.6040 0.0503 0.0503 0.1087 0.1087 1.0180 1.0180 1.3031 1.3031 1.7278 1.7278 2.0243 2.0243 2.8366 2.8366 3.2953 3.2953 3.6195 3.6195 3.7721 3.7721 3.9485 3.9485 4.4590 4.4590 4.9641 4.9641 5.5490 5.5490 11.5722 11.5722 12.3007 12.3007 12.7775 12.7775 12.8237 12.8237 13.1311 13.1311 k = 0.0000 0.0000 0.2282 ( 4254 PWs) bands (ev): -13.5252 -13.5252 -13.0521 -13.0521 -10.5907 -10.5907 -9.1335 -9.1335 -9.0103 -9.0103 -8.7944 -8.7944 -3.5315 -3.5315 -3.4907 -3.4907 -2.1520 -2.1520 -0.6064 -0.6064 0.0645 0.0645 0.0948 0.0948 0.9509 0.9509 1.3362 1.3362 1.6765 1.6765 2.0691 2.0691 2.8391 2.8391 3.3554 3.3554 3.6120 3.6120 3.7605 3.7605 3.9543 3.9543 4.4711 4.4711 4.9390 4.9390 5.5496 5.5496 11.5038 11.5038 12.3067 12.3067 12.7289 12.7289 12.9472 12.9472 13.1194 13.1194 k = 0.0000 0.0000 0.2119 ( 4258 PWs) bands (ev): -13.5352 -13.5352 -13.0451 -13.0451 -10.6071 -10.6071 -9.0900 -9.0900 -9.0189 -9.0189 -8.7959 -8.7959 -3.5040 -3.5040 -3.4539 -3.4539 -2.2402 -2.2402 -0.6073 -0.6073 0.0766 0.0766 0.0821 0.0821 0.8858 0.8858 1.3687 1.3687 1.6246 1.6246 2.1090 2.1090 2.8407 2.8407 3.4145 3.4145 3.6060 3.6060 3.7502 3.7502 3.9600 3.9600 4.4830 4.4830 4.9149 4.9149 5.5503 5.5503 11.4376 11.4376 12.3126 12.3126 12.6686 12.6686 13.0728 13.0728 13.1093 13.1093 k = 0.0000 0.0000 0.1956 ( 4262 PWs) bands (ev): -13.5446 -13.5446 -13.0386 -13.0386 -10.6223 -10.6223 -9.0484 -9.0484 -9.0270 -9.0270 -8.7976 -8.7976 -3.4774 -3.4774 -3.4174 -3.4174 -2.3236 -2.3236 -0.6068 -0.6068 0.0687 0.0687 0.0888 0.0888 0.8233 0.8233 1.4001 1.4001 1.5728 1.5728 2.1443 2.1443 2.8413 2.8413 3.4701 3.4701 3.6032 3.6032 3.7412 3.7412 3.9655 3.9655 4.4944 4.4944 4.8919 4.8919 5.5511 5.5511 11.3742 11.3742 12.3182 12.3182 12.6051 12.6051 13.1009 13.1009 13.1998 13.1998 k = 0.0000 0.0000 0.1793 ( 4270 PWs) bands (ev): -13.5534 -13.5534 -13.0326 -13.0326 -10.6362 -10.6362 -9.0348 -9.0348 -9.0085 -9.0085 -8.7992 -8.7992 -3.4518 -3.4518 -3.3816 -3.3816 -2.4017 -2.4017 -0.6051 -0.6051 0.0571 0.0571 0.0982 0.0982 0.7639 0.7639 1.4304 1.4304 1.5216 1.5216 2.1756 2.1756 2.8411 2.8411 3.5162 3.5162 3.6087 3.6087 3.7333 3.7333 3.9709 3.9709 4.5053 4.5053 4.8702 4.8702 5.5520 5.5520 11.3138 11.3138 12.3234 12.3234 12.5424 12.5424 13.0943 13.0943 13.3272 13.3272 k = 0.0000 0.0000 0.1630 ( 4282 PWs) bands (ev): -13.5615 -13.5615 -13.0271 -13.0271 -10.6489 -10.6489 -9.0419 -9.0419 -8.9711 -8.9711 -8.8009 -8.8009 -3.4275 -3.4275 -3.3468 -3.3468 -2.4744 -2.4744 -0.6024 -0.6024 0.0463 0.0463 0.1059 0.1059 0.7084 0.7084 1.4592 1.4592 1.4718 1.4718 2.2032 2.2032 2.8400 2.8400 3.5418 3.5418 3.6326 3.6326 3.7265 3.7265 3.9761 3.9761 4.5157 4.5157 4.8499 4.8499 5.5532 5.5532 11.2569 11.2569 12.3281 12.3281 12.4826 12.4826 13.0893 13.0893 13.4540 13.4540 k = 0.0000 0.0000 0.1467 ( 4286 PWs) bands (ev): -13.5688 -13.5688 -13.0222 -13.0222 -10.6604 -10.6604 -9.0485 -9.0485 -8.9363 -8.9363 -8.8025 -8.8025 -3.4048 -3.4048 -3.3135 -3.3135 -2.5413 -2.5413 -0.5987 -0.5987 0.0365 0.0365 0.1116 0.1116 0.6574 0.6574 1.4239 1.4239 1.4865 1.4865 2.2274 2.2274 2.8383 2.8383 3.5484 3.5484 3.6725 3.6725 3.7210 3.7210 3.9811 3.9811 4.5254 4.5254 4.8312 4.8312 5.5546 5.5546 11.2038 11.2038 12.3324 12.3324 12.4267 12.4267 13.0859 13.0859 13.5793 13.5793 k = 0.0000 0.0000 0.1304 ( 4286 PWs) bands (ev): -13.5755 -13.5755 -13.0177 -13.0177 -10.6706 -10.6706 -9.0544 -9.0544 -8.9043 -8.9043 -8.8041 -8.8041 -3.3838 -3.3838 -3.2822 -3.2822 -2.6021 -2.6021 -0.5943 -0.5943 0.0276 0.0276 0.1152 0.1152 0.6114 0.6114 1.3788 1.3788 1.5118 1.5118 2.2485 2.2485 2.8360 2.8360 3.5477 3.5477 3.7097 3.7097 3.7230 3.7230 3.9859 3.9859 4.5344 4.5344 4.8140 4.8140 5.5562 5.5562 11.1551 11.1551 12.3361 12.3361 12.3755 12.3755 13.0838 13.0838 13.7016 13.7016 k = 0.0000 0.0000 0.1141 ( 4284 PWs) bands (ev): -13.5815 -13.5815 -13.0138 -13.0138 -10.6796 -10.6796 -9.0598 -9.0598 -8.8754 -8.8754 -8.8055 -8.8055 -3.3647 -3.3647 -3.2532 -3.2532 -2.6565 -2.6565 -0.5894 -0.5894 0.0197 0.0197 0.1168 0.1168 0.5709 0.5709 1.3370 1.3370 1.5350 1.5350 2.2666 2.2666 2.8333 2.8333 3.5448 3.5448 3.7098 3.7098 3.7609 3.7609 3.9904 3.9904 4.5426 4.5426 4.7986 4.7986 5.5579 5.5579 11.1110 11.1110 12.3294 12.3294 12.3393 12.3393 13.0829 13.0829 13.7618 13.7618 k = 0.0000 0.0000 0.0978 ( 4284 PWs) bands (ev): -13.5866 -13.5866 -13.0104 -13.0104 -10.6873 -10.6873 -9.0644 -9.0644 -8.8498 -8.8498 -8.8068 -8.8068 -3.3478 -3.3478 -3.2269 -3.2269 -2.7042 -2.7042 -0.5844 -0.5844 0.0129 0.0129 0.1166 0.1166 0.5363 0.5363 1.2991 1.2991 1.5558 1.5558 2.2821 2.2821 2.8304 2.8304 3.5415 3.5415 3.7066 3.7066 3.7990 3.7990 3.9945 3.9945 4.5498 4.5498 4.7851 4.7851 5.5598 5.5598 11.0720 11.0720 12.2890 12.2890 12.3419 12.3419 13.0829 13.0829 13.7931 13.7931 k = 0.0000 0.0000 0.0815 ( 4280 PWs) bands (ev): -13.5911 -13.5911 -13.0075 -13.0075 -10.6939 -10.6939 -9.0684 -9.0684 -8.8278 -8.8278 -8.8079 -8.8079 -3.3332 -3.3332 -3.2039 -3.2039 -2.7451 -2.7451 -0.5794 -0.5794 0.0070 0.0070 0.1147 0.1147 0.5078 0.5078 1.2659 1.2659 1.5738 1.5738 2.2950 2.2950 2.8275 2.8275 3.5382 3.5382 3.7038 3.7038 3.8324 3.8324 3.9981 3.9981 4.5561 4.5561 4.7734 4.7734 5.5616 5.5616 11.0383 11.0383 12.2543 12.2543 12.3441 12.3441 13.0836 13.0836 13.8191 13.8191 k = 0.0000 0.0000 0.0652 ( 4270 PWs) bands (ev): -13.5947 -13.5947 -13.0052 -13.0052 -10.6993 -10.6993 -9.0717 -9.0717 -8.8108 -8.8108 -8.8075 -8.8075 -3.3210 -3.3210 -3.1845 -3.1845 -2.7788 -2.7788 -0.5749 -0.5749 0.0022 0.0022 0.1119 0.1119 0.4851 0.4851 1.2378 1.2378 1.5890 1.5890 2.3054 2.3054 2.8248 2.8248 3.5354 3.5354 3.7015 3.7015 3.8603 3.8603 4.0013 4.0013 4.5614 4.5614 4.7638 4.7638 5.5633 5.5633 11.0103 11.0103 12.2257 12.2257 12.3458 12.3458 13.0846 13.0846 13.8398 13.8398 k = 0.0000 0.0000 0.0489 ( 4269 PWs) bands (ev): -13.5975 -13.5975 -13.0033 -13.0033 -10.7034 -10.7034 -9.0743 -9.0743 -8.8100 -8.8100 -8.7946 -8.7946 -3.3115 -3.3115 -3.1690 -3.1690 -2.8053 -2.8053 -0.5710 -0.5710 -0.0016 -0.0016 0.1085 0.1085 0.4681 0.4681 1.2153 1.2153 1.6011 1.6011 2.3135 2.3135 2.8224 2.8224 3.5331 3.5331 3.6998 3.6998 3.8824 3.8824 4.0038 4.0038 4.5655 4.5655 4.7562 4.7562 5.5648 5.5648 10.9883 10.9883 12.2033 12.2033 12.3470 12.3470 13.0857 13.0857 13.8555 13.8555 k = 0.0000 0.0000 0.0326 ( 4265 PWs) bands (ev): -13.5996 -13.5996 -13.0020 -13.0020 -10.7064 -10.7064 -9.0762 -9.0762 -8.8105 -8.8105 -8.7843 -8.7843 -3.3045 -3.3045 -3.1577 -3.1577 -2.8243 -2.8243 -0.5681 -0.5681 -0.0043 -0.0043 0.1055 0.1055 0.4564 0.4564 1.1990 1.1990 1.6098 1.6098 2.3192 2.3192 2.8206 2.8206 3.5313 3.5313 3.6985 3.6985 3.8983 3.8983 4.0057 4.0057 4.5685 4.5685 4.7507 4.7507 5.5659 5.5659 10.9723 10.9723 12.1873 12.1873 12.3479 12.3479 13.0867 13.0867 13.8665 13.8665 k = 0.0000 0.0000 0.0163 ( 4271 PWs) bands (ev): -13.6008 -13.6008 -13.0012 -13.0012 -10.7082 -10.7082 -9.0773 -9.0773 -8.8108 -8.8108 -8.7780 -8.7780 -3.3004 -3.3004 -3.1509 -3.1509 -2.8358 -2.8358 -0.5662 -0.5662 -0.0059 -0.0059 0.1034 0.1034 0.4496 0.4496 1.1891 1.1891 1.6152 1.6152 2.3226 2.3226 2.8195 2.8195 3.5303 3.5303 3.6978 3.6978 3.9079 3.9079 4.0068 4.0068 4.5703 4.5703 4.7474 4.7474 5.5666 5.5666 10.9627 10.9627 12.1776 12.1776 12.3484 12.3484 13.0874 13.0874 13.8729 13.8729 k = 0.0000 0.0000 0.0000 ( 4271 PWs) bands (ev): -13.6012 -13.6012 -13.0010 -13.0010 -10.7088 -10.7088 -9.0777 -9.0777 -8.8109 -8.8109 -8.7759 -8.7759 -3.2990 -3.2990 -3.1485 -3.1485 -2.8396 -2.8396 -0.5656 -0.5656 -0.0064 -0.0064 0.1027 0.1027 0.4473 0.4473 1.1857 1.1857 1.6169 1.6169 2.3237 2.3237 2.8191 2.8191 3.5299 3.5299 3.6976 3.6976 3.9111 3.9111 4.0072 4.0072 4.5709 4.5709 4.7463 4.7463 5.5669 5.5669 10.9595 10.9595 12.1743 12.1743 12.3486 12.3486 13.0876 13.0876 13.8751 13.8751 k = 0.0000 0.0000 0.0000 ( 4271 PWs) bands (ev): -13.6012 -13.6012 -13.0010 -13.0010 -10.7088 -10.7088 -9.0777 -9.0777 -8.8109 -8.8109 -8.7759 -8.7759 -3.2990 -3.2990 -3.1485 -3.1485 -2.8396 -2.8396 -0.5656 -0.5656 -0.0064 -0.0064 0.1027 0.1027 0.4473 0.4473 1.1857 1.1857 1.6169 1.6169 2.3237 2.3237 2.8191 2.8191 3.5299 3.5299 3.6976 3.6976 3.9111 3.9111 4.0072 4.0072 4.5709 4.5709 4.7463 4.7463 5.5669 5.5669 10.9595 10.9595 12.1743 12.1743 12.3486 12.3486 13.0876 13.0876 13.8751 13.8751 k =-0.0139 0.0086 0.0000 ( 4271 PWs) bands (ev): -13.6006 -13.6006 -13.0010 -13.0010 -10.7103 -10.7103 -9.0775 -9.0774 -8.8127 -8.8115 -8.7753 -8.7740 -3.2967 -3.2965 -3.1516 -3.1515 -2.8356 -2.8353 -0.5665 -0.5662 -0.0048 -0.0048 0.1014 0.1015 0.4457 0.4459 1.1847 1.1848 1.6183 1.6183 2.3249 2.3251 2.8187 2.8188 3.5287 3.5293 3.6945 3.6952 3.9103 3.9106 4.0065 4.0065 4.5701 4.5704 4.7481 4.7483 5.5662 5.5662 10.9628 10.9628 12.1617 12.1628 12.3611 12.3611 13.0877 13.0878 13.8730 13.8735 k =-0.0278 0.0171 0.0000 ( 4271 PWs) bands (ev): -13.5990 -13.5990 -13.0011 -13.0010 -10.7149 -10.7149 -9.0769 -9.0767 -8.8162 -8.8142 -8.7726 -8.7703 -3.2897 -3.2892 -3.1602 -3.1600 -2.8237 -2.8232 -0.5689 -0.5683 -0.0001 0.0000 0.0977 0.0978 0.4410 0.4415 1.1816 1.1818 1.6223 1.6224 2.3287 2.3289 2.8175 2.8176 3.5253 3.5265 3.6861 3.6875 3.9084 3.9088 4.0044 4.0045 4.5682 4.5688 4.7534 4.7537 5.5644 5.5644 10.9728 10.9728 12.1322 12.1340 12.3915 12.3917 13.0879 13.0882 13.8675 13.8686 k =-0.0417 0.0257 0.0000 ( 4267 PWs) bands (ev): -13.5962 -13.5962 -13.0012 -13.0011 -10.7225 -10.7224 -9.0759 -9.0757 -8.8207 -8.8183 -8.7684 -8.7655 -3.2779 -3.2772 -3.1731 -3.1728 -2.8052 -2.8044 -0.5727 -0.5718 0.0078 0.0079 0.0916 0.0917 0.4333 0.4340 1.1766 1.1769 1.6290 1.6291 2.3348 2.3352 2.8155 2.8158 3.5195 3.5214 3.6728 3.6749 3.9053 3.9058 4.0010 4.0011 4.5655 4.5663 4.7618 4.7622 5.5613 5.5613 10.9893 10.9894 12.0955 12.0978 12.4299 12.4305 13.0883 13.0887 13.8590 13.8604 k =-0.0556 0.0343 0.0000 ( 4267 PWs) bands (ev): -13.5923 -13.5923 -13.0013 -13.0011 -10.7330 -10.7329 -9.0745 -9.0742 -8.8257 -8.8230 -8.7635 -8.7602 -3.2615 -3.2606 -3.1891 -3.1886 -2.7814 -2.7803 -0.5780 -0.5767 0.0187 0.0189 0.0831 0.0832 0.4227 0.4236 1.1696 1.1700 1.6384 1.6385 2.3434 2.3439 2.8128 2.8132 3.5108 3.5135 3.6553 3.6581 3.9010 3.9016 3.9961 3.9962 4.5625 4.5635 4.7728 4.7732 5.5570 5.5571 11.0122 11.0124 12.0565 12.0594 12.4716 12.4726 13.0888 13.0893 13.8478 13.8497 k =-0.0694 0.0428-0.0000 ( 4269 PWs) bands (ev): -13.5874 -13.5873 -13.0015 -13.0013 -10.7463 -10.7462 -9.0728 -9.0724 -8.8308 -8.8281 -8.7582 -8.7547 -3.2404 -3.2393 -3.2068 -3.2062 -2.7535 -2.7522 -0.5844 -0.5829 0.0326 0.0329 0.0722 0.0723 0.4093 0.4104 1.1606 1.1611 1.6503 1.6504 2.3542 2.3548 2.8094 2.8099 3.4983 3.5016 3.6346 3.6381 3.8955 3.8962 3.9899 3.9900 4.5597 4.5607 4.7858 4.7862 5.5516 5.5517 11.0414 11.0416 12.0177 12.0211 12.5142 12.5156 13.0893 13.0899 13.8347 13.8368 k =-0.0833 0.0514 0.0000 ( 4257 PWs) bands (ev): -13.5813 -13.5813 -13.0017 -13.0014 -10.7624 -10.7622 -9.0708 -9.0703 -8.8359 -8.8331 -8.7529 -8.7491 -3.2255 -3.2249 -3.2147 -3.2134 -2.7225 -2.7209 -0.5921 -0.5902 0.0494 0.0496 0.0590 0.0591 0.3933 0.3946 1.1498 1.1503 1.6648 1.6649 2.3673 2.3680 2.8053 2.8059 3.4807 3.4846 3.6125 3.6164 3.8890 3.8897 3.9822 3.9824 4.5573 4.5584 4.8003 4.8007 5.5451 5.5452 11.0765 11.0768 11.9802 11.9840 12.5567 12.5585 13.0897 13.0904 13.8200 13.8224 k =-0.0972 0.0600-0.0000 ( 4263 PWs) bands (ev): -13.5742 -13.5742 -13.0019 -13.0016 -10.7810 -10.7808 -9.0685 -9.0680 -8.8409 -8.8381 -8.7475 -8.7436 -3.2444 -3.2436 -3.1847 -3.1831 -2.6890 -2.6872 -0.6008 -0.5987 0.0435 0.0437 0.0689 0.0693 0.3748 0.3762 1.1370 1.1377 1.6817 1.6819 2.3823 2.3831 2.8006 2.8013 3.4566 3.4608 3.5907 3.5948 3.8813 3.8820 3.9731 3.9733 4.5557 4.5568 4.8158 4.8161 5.5376 5.5377 11.1174 11.1177 11.9448 11.9489 12.5983 12.6005 13.0900 13.0908 13.8044 13.8069 k =-0.1111 0.0686 0.0000 ( 4254 PWs) bands (ev): -13.5661 -13.5661 -13.0021 -13.0018 -10.8020 -10.8019 -9.0660 -9.0654 -8.8457 -8.8429 -8.7424 -8.7383 -3.2631 -3.2621 -3.1502 -3.1485 -2.6536 -2.6516 -0.6104 -0.6080 0.0260 0.0260 0.0911 0.0915 0.3539 0.3555 1.1224 1.1231 1.7010 1.7012 2.3993 2.4002 2.7954 2.7961 3.4250 3.4293 3.5706 3.5744 3.8728 3.8734 3.9626 3.9628 4.5550 4.5560 4.8320 4.8322 5.5291 5.5292 11.1637 11.1640 11.9120 11.9165 12.6387 12.6412 13.0900 13.0909 13.7881 13.7908 k =-0.1250 0.0771-0.0000 ( 4250 PWs) bands (ev): -13.5571 -13.5570 -13.0024 -13.0021 -10.8253 -10.8251 -9.0633 -9.0627 -8.8502 -8.8475 -8.7374 -8.7333 -3.2812 -3.2801 -3.1116 -3.1096 -2.6167 -2.6144 -0.6209 -0.6182 0.0063 0.0064 0.1158 0.1161 0.3310 0.3326 1.1059 1.1067 1.7226 1.7228 2.4179 2.4189 2.7896 2.7905 3.3861 3.3900 3.5523 3.5557 3.8633 3.8639 3.9507 3.9508 4.5551 4.5561 4.8486 4.8486 5.5198 5.5199 11.2151 11.2155 11.8823 11.8872 12.6774 12.6802 13.0898 13.0907 13.7716 13.7743 k =-0.1389 0.0857-0.0000 ( 4258 PWs) bands (ev): -13.5470 -13.5470 -13.0027 -13.0024 -10.8507 -10.8505 -9.0605 -9.0598 -8.8544 -8.8517 -8.7327 -8.7285 -3.2985 -3.2974 -3.0689 -3.0667 -2.5785 -2.5760 -0.6321 -0.6291 -0.0154 -0.0152 0.1428 0.1432 0.3062 0.3079 1.0877 1.0885 1.7464 1.7466 2.4381 2.4392 2.7834 2.7844 3.3406 3.3440 3.5353 3.5380 3.8531 3.8535 3.9374 3.9375 4.5562 4.5571 4.8651 4.8652 5.5097 5.5098 11.2711 11.2716 11.8560 11.8612 12.7143 12.7173 13.0893 13.0903 13.7551 13.7578 k =-0.1528 0.0943-0.0000 ( 4252 PWs) bands (ev): -13.5360 -13.5360 -13.0030 -13.0027 -10.8779 -10.8777 -9.0577 -9.0570 -8.8582 -8.8555 -8.7284 -8.7241 -3.3149 -3.3136 -3.0222 -3.0198 -2.5393 -2.5366 -0.6438 -0.6406 -0.0390 -0.0386 0.1721 0.1726 0.2797 0.2814 1.0675 1.0684 1.7724 1.7725 2.4595 2.4608 2.7768 2.7779 3.2896 3.2927 3.5186 3.5206 3.8423 3.8426 3.9227 3.9229 4.5580 4.5589 4.8815 4.8817 5.4990 5.4991 11.3315 11.3321 11.8334 11.8389 12.7489 12.7521 13.0887 13.0897 13.7388 13.7415 k =-0.1667 0.1028 0.0000 ( 4252 PWs) bands (ev): -13.5242 -13.5241 -13.0034 -13.0030 -10.9067 -10.9065 -9.0548 -9.0540 -8.8616 -8.8590 -8.7245 -8.7201 -3.3301 -3.3288 -2.9718 -2.9692 -2.4993 -2.4963 -0.6562 -0.6527 -0.0644 -0.0637 0.2035 0.2040 0.2518 0.2534 1.0456 1.0465 1.8003 1.8003 2.4821 2.4835 2.7699 2.7711 3.2343 3.2371 3.5015 3.5029 3.8309 3.8311 3.9067 3.9069 4.5606 4.5613 4.8975 4.8979 5.4877 5.4878 11.3959 11.3965 11.8147 11.8204 12.7810 12.7843 13.0882 13.0891 13.7229 13.7256 k =-0.1806 0.1114-0.0000 ( 4244 PWs) bands (ev): -13.5116 -13.5115 -13.0037 -13.0033 -10.9370 -10.9368 -9.0519 -9.0511 -8.8646 -8.8620 -8.7210 -8.7166 -3.3443 -3.3429 -2.9178 -2.9150 -2.4586 -2.4554 -0.6689 -0.6652 -0.0913 -0.0904 0.2219 0.2240 0.2377 0.2377 1.0218 1.0227 1.8301 1.8301 2.5056 2.5070 2.7628 2.7641 3.1757 3.1782 3.4835 3.4843 3.8192 3.8192 3.8895 3.8897 4.5637 4.5644 4.9132 4.9136 5.4759 5.4761 11.4639 11.4645 11.8001 11.8060 12.8101 12.8134 13.0880 13.0889 13.7075 13.7101 k =-0.1944 0.1200-0.0000 ( 4236 PWs) bands (ev): -13.4981 -13.4981 -13.0041 -13.0037 -10.9685 -10.9684 -9.0491 -9.0483 -8.8672 -8.8646 -8.7179 -8.7134 -3.3572 -3.3558 -2.8604 -2.8574 -2.4175 -2.4140 -0.6820 -0.6780 -0.1197 -0.1184 0.1920 0.1937 0.2727 0.2730 0.9961 0.9971 1.8616 1.8616 2.5296 2.5312 2.7555 2.7569 3.1147 3.1170 3.4641 3.4644 3.8071 3.8073 3.8711 3.8713 4.5673 4.5678 4.9283 4.9289 5.4639 5.4640 11.5350 11.5357 11.7897 11.7957 12.8357 12.8389 13.0888 13.0896 13.6927 13.6953 k =-0.2083 0.1285-0.0000 ( 4236 PWs) bands (ev): -13.4840 -13.4839 -13.0045 -13.0040 -11.0011 -11.0009 -9.0463 -9.0455 -8.8694 -8.8668 -8.7153 -8.7108 -3.3689 -3.3674 -2.7999 -2.7966 -2.3760 -2.3723 -0.6955 -0.6912 -0.1494 -0.1477 0.1610 0.1624 0.3098 0.3101 0.9685 0.9695 1.8947 1.8949 2.5540 2.5557 2.7480 2.7496 3.0519 3.0541 3.4431 3.4433 3.7949 3.7952 3.8515 3.8518 4.5710 4.5715 4.9427 4.9435 5.4517 5.4518 11.6088 11.6096 11.7835 11.7897 12.8570 12.8601 13.0910 13.0917 13.6786 13.6810 k =-0.2222 0.1371 0.0000 ( 4240 PWs) bands (ev): -13.4693 -13.4692 -13.0048 -13.0044 -11.0344 -11.0343 -9.0437 -9.0429 -8.8710 -8.8685 -8.7131 -8.7086 -3.3793 -3.3779 -2.7363 -2.7328 -2.3343 -2.3304 -0.7092 -0.7046 -0.1801 -0.1780 0.1292 0.1305 0.3484 0.3487 0.9390 0.9401 1.9293 1.9296 2.5782 2.5801 2.7405 2.7422 2.9884 2.9905 3.4202 3.4208 3.7827 3.7832 3.8308 3.8311 4.5749 4.5753 4.9566 4.9574 5.4394 5.4395 11.6851 11.6859 11.7817 11.7880 12.8734 12.8762 13.0956 13.0961 13.6651 13.6674 k =-0.2361 0.1457-0.0000 ( 4244 PWs) bands (ev): -13.4540 -13.4539 -13.0052 -13.0048 -11.0684 -11.0682 -9.0411 -9.0403 -8.8723 -8.8697 -8.7115 -8.7070 -3.3886 -3.3871 -2.6700 -2.6663 -2.2925 -2.2884 -0.7231 -0.7183 -0.2116 -0.2091 0.0970 0.0981 0.3884 0.3887 0.9076 0.9087 1.9653 1.9656 2.6018 2.6038 2.7330 2.7349 2.9251 2.9271 3.3957 3.3967 3.7705 3.7710 3.8092 3.8096 4.5787 4.5790 4.9697 4.9706 5.4271 5.4272 11.7633 11.7642 11.7841 11.7904 12.8841 12.8866 13.1030 13.1032 13.6523 13.6545 k =-0.2500 0.1543-0.0000 ( 4240 PWs) bands (ev): -13.4382 -13.4382 -13.0056 -13.0052 -11.1026 -11.1024 -9.0387 -9.0380 -8.8730 -8.8705 -8.7103 -8.7058 -3.3966 -3.3951 -2.6012 -2.5973 -2.2508 -2.2465 -0.7371 -0.7321 -0.2438 -0.2408 0.0645 0.0653 0.4295 0.4298 0.8744 0.8755 2.0025 2.0029 2.6235 2.6258 2.7256 2.7276 2.8633 2.8654 3.3697 3.3710 3.7581 3.7587 3.7869 3.7874 4.5823 4.5825 4.9821 4.9831 5.4150 5.4151 11.7907 11.7971 11.8431 11.8441 12.8890 12.8910 13.1134 13.1135 13.6402 13.6422 k =-0.2639 0.1628-0.0000 ( 4226 PWs) bands (ev): -13.4221 -13.4220 -13.0060 -13.0056 -11.1370 -11.1368 -9.0365 -9.0357 -8.8733 -8.8708 -8.7096 -8.7051 -3.4035 -3.4021 -2.5302 -2.5261 -2.2093 -2.2048 -0.7514 -0.7460 -0.2764 -0.2729 0.0320 0.0325 0.4714 0.4717 0.8394 0.8406 2.0407 2.0413 2.6408 2.6434 2.7184 2.7205 2.8061 2.8083 3.3423 3.3440 3.7448 3.7454 3.7649 3.7656 4.5856 4.5857 4.9938 4.9948 5.4031 5.4033 11.8015 11.8079 11.9241 11.9251 12.8883 12.8899 13.1264 13.1267 13.6288 13.6306 k =-0.2778 0.1714-0.0000 ( 4224 PWs) bands (ev): -13.4057 -13.4056 -13.0064 -13.0060 -11.1712 -11.1711 -9.0344 -9.0337 -8.8732 -8.8706 -8.7094 -8.7050 -3.4093 -3.4079 -2.4572 -2.4528 -2.1682 -2.1635 -0.7657 -0.7601 -0.3091 -0.3051 -0.0005 -0.0003 0.5135 0.5138 0.8031 0.8043 2.0797 2.0805 2.6457 2.6483 2.7113 2.7136 2.7620 2.7639 3.3139 3.3159 3.7280 3.7285 3.7458 3.7467 4.5885 4.5886 5.0048 5.0058 5.3916 5.3917 11.8163 11.8227 12.0058 12.0069 12.8825 12.8837 13.1416 13.1421 13.6180 13.6197 k =-0.2917 0.1800-0.0000 ( 4228 PWs) bands (ev): -13.3892 -13.3891 -13.0068 -13.0064 -11.2051 -11.2050 -9.0325 -9.0318 -8.8726 -8.8701 -8.7097 -8.7053 -3.4141 -3.4127 -2.3825 -2.3780 -2.1276 -2.1227 -0.7803 -0.7743 -0.3418 -0.3373 -0.0328 -0.0327 0.5548 0.5551 0.7663 0.7676 2.1194 2.1203 2.6238 2.6252 2.7045 2.7070 2.7463 2.7469 3.2849 3.2872 3.7057 3.7062 3.7317 3.7327 4.5909 4.5910 5.0151 5.0161 5.3804 5.3806 11.8349 11.8413 12.0880 12.0891 12.8723 12.8732 13.1582 13.1588 13.6078 13.6094 k =-0.3056 0.1885-0.0000 ( 4228 PWs) bands (ev): -13.3727 -13.3726 -13.0072 -13.0068 -11.2384 -11.2383 -9.0307 -9.0300 -8.8716 -8.8691 -8.7104 -8.7061 -3.4179 -3.4165 -2.3065 -2.3017 -2.0876 -2.0827 -0.7950 -0.7888 -0.3741 -0.3691 -0.0648 -0.0644 0.5922 0.5925 0.7320 0.7333 2.1595 2.1606 2.5795 2.5800 2.6981 2.7008 2.7527 2.7532 3.2557 3.2583 3.6804 3.6809 3.7202 3.7212 4.5929 4.5929 5.0247 5.0257 5.3698 5.3699 11.8572 11.8635 12.1700 12.1713 12.8584 12.8589 13.1756 13.1762 13.5984 13.5998 k =-0.3194 0.1971-0.0000 ( 4230 PWs) bands (ev): -13.3562 -13.3561 -13.0075 -13.0071 -11.2709 -11.2708 -9.0291 -9.0284 -8.8703 -8.8678 -8.7115 -8.7073 -3.4209 -3.4195 -2.2295 -2.2245 -2.0486 -2.0436 -0.8099 -0.8034 -0.4058 -0.4004 -0.0962 -0.0955 0.6142 0.6149 0.7115 0.7125 2.1998 2.2011 2.5285 2.5286 2.6920 2.6949 2.7656 2.7668 3.2271 3.2299 3.6536 3.6543 3.7098 3.7109 4.5943 4.5943 5.0336 5.0347 5.3597 5.3599 11.8829 11.8891 12.2516 12.2529 12.8412 12.8414 13.1933 13.1939 13.5895 13.5908 k =-0.3333 0.2057-0.0000 ( 4218 PWs) bands (ev): -13.3400 -13.3399 -13.0079 -13.0075 -11.3023 -11.3022 -9.0276 -9.0270 -8.8686 -8.8662 -8.7130 -8.7089 -3.4230 -3.4218 -2.1519 -2.1467 -2.0107 -2.0056 -0.8251 -0.8183 -0.4366 -0.4308 -0.1268 -0.1258 0.6008 0.6019 0.7249 0.7255 2.2399 2.2415 2.4771 2.4772 2.6864 2.6896 2.7792 2.7808 3.1998 3.2028 3.6262 3.6269 3.7001 3.7011 4.5953 4.5953 5.0419 5.0429 5.3502 5.3504 11.9118 11.9179 12.3323 12.3336 12.8209 12.8210 13.2108 13.2114 13.5814 13.5825 k =-0.3472 0.2142-0.0000 ( 4212 PWs) bands (ev): -13.3242 -13.3241 -13.0082 -13.0079 -11.3324 -11.3323 -9.0263 -9.0258 -8.8666 -8.8642 -8.7148 -8.7108 -3.4245 -3.4233 -2.0742 -2.0688 -1.9741 -1.9690 -0.8407 -0.8337 -0.4662 -0.4602 -0.1562 -0.1550 0.5649 0.5662 0.7592 0.7596 2.2796 2.2814 2.4274 2.4277 2.6814 2.6848 2.7909 2.7927 3.1748 3.1779 3.5982 3.5990 3.6909 3.6919 4.5957 4.5958 5.0495 5.0505 5.3414 5.3416 11.9437 11.9497 12.4115 12.4129 12.7978 12.7981 13.2279 13.2284 13.5740 13.5749 k =-0.3611 0.2228-0.0000 ( 4218 PWs) bands (ev): -13.3090 -13.3089 -13.0085 -13.0082 -11.3610 -11.3609 -9.0252 -9.0247 -8.8644 -8.8620 -8.7169 -8.7130 -3.4254 -3.4243 -1.9968 -1.9912 -1.9391 -1.9341 -0.8568 -0.8495 -0.4945 -0.4883 -0.1843 -0.1829 0.5223 0.5237 0.7987 0.7990 2.3184 2.3205 2.3807 2.3809 2.6769 2.6806 2.7992 2.8012 3.1529 3.1561 3.5701 3.5709 3.6822 3.6831 4.5958 4.5959 5.0565 5.0574 5.3333 5.3334 11.9782 11.9840 12.4887 12.4901 12.7721 12.7726 13.2443 13.2447 13.5675 13.5682 k =-0.3750 0.2314 0.0000 ( 4222 PWs) bands (ev): -13.2945 -13.2945 -13.0088 -13.0085 -11.3878 -11.3877 -9.0242 -9.0237 -8.8619 -8.8596 -8.7191 -8.7155 -3.4258 -3.4247 -1.9203 -1.9145 -1.9059 -1.9010 -0.8735 -0.8659 -0.5211 -0.5148 -0.2109 -0.2092 0.4778 0.4792 0.8387 0.8390 2.3373 2.3375 2.3560 2.3584 2.6732 2.6772 2.8035 2.8055 3.1352 3.1384 3.5421 3.5429 3.6739 3.6748 4.5956 4.5956 5.0628 5.0637 5.3259 5.3260 12.0150 12.0207 12.5632 12.5647 12.7440 12.7448 13.2598 13.2601 13.5618 13.5624 k =-0.3889 0.2399 0.0000 ( 4210 PWs) bands (ev): -13.2809 -13.2809 -13.0091 -13.0088 -11.4125 -11.4125 -9.0233 -9.0228 -8.8593 -8.8572 -8.7215 -8.7181 -3.4258 -3.4248 -1.8749 -1.8702 -1.8454 -1.8394 -0.8908 -0.8831 -0.5458 -0.5396 -0.2356 -0.2338 0.4332 0.4347 0.8777 0.8779 2.2976 2.2978 2.3917 2.3945 2.6704 2.6746 2.8033 2.8052 3.1221 3.1251 3.5146 3.5154 3.6662 3.6671 4.5950 4.5951 5.0686 5.0694 5.3192 5.3193 12.0540 12.0595 12.6345 12.6360 12.7136 12.7147 13.2742 13.2744 13.5572 13.5576 k =-0.4028 0.2485-0.0000 ( 4216 PWs) bands (ev): -13.2684 -13.2684 -13.0093 -13.0090 -11.4350 -11.4350 -9.0225 -9.0221 -8.8567 -8.8546 -8.7240 -8.7208 -3.4255 -3.4247 -1.8463 -1.8419 -1.7728 -1.7667 -0.9090 -0.9012 -0.5683 -0.5623 -0.2582 -0.2564 0.3898 0.3913 0.9146 0.9149 2.2619 2.2621 2.4250 2.4281 2.6685 2.6730 2.7989 2.8007 3.1137 3.1164 3.4880 3.4888 3.6591 3.6599 4.5943 4.5944 5.0736 5.0743 5.3133 5.3134 12.0947 12.0999 12.6809 12.6821 12.7019 12.7032 13.2874 13.2875 13.5538 13.5541 k =-0.4167 0.2571-0.0000 ( 4224 PWs) bands (ev): -13.2572 -13.2571 -13.0095 -13.0093 -11.4550 -11.4550 -9.0219 -9.0215 -8.8541 -8.8522 -8.7264 -8.7235 -3.4250 -3.4243 -1.8205 -1.8164 -1.7035 -1.6974 -0.9278 -0.9201 -0.5883 -0.5827 -0.2784 -0.2767 0.3488 0.3503 0.9488 0.9489 2.2304 2.2305 2.4553 2.4586 2.6678 2.6724 2.7913 2.7929 3.1093 3.1117 3.4628 3.4636 3.6527 3.6534 4.5935 4.5935 5.0780 5.0787 5.3082 5.3083 12.1368 12.1418 12.6463 12.6479 12.7638 12.7652 13.2992 13.2992 13.5517 13.5518 k =-0.4306 0.2657-0.0000 ( 4224 PWs) bands (ev): -13.2473 -13.2473 -13.0097 -13.0095 -11.4724 -11.4723 -9.0213 -9.0210 -8.8516 -8.8499 -8.7286 -8.7261 -3.4245 -3.4239 -1.7978 -1.7942 -1.6387 -1.6328 -0.9472 -0.9397 -0.6057 -0.6007 -0.2960 -0.2944 0.3114 0.3128 0.9793 0.9795 2.2032 2.2034 2.4817 2.4852 2.6684 2.6730 2.7817 2.7830 3.1080 3.1100 3.4397 3.4405 3.6470 3.6477 4.5926 4.5927 5.0818 5.0823 5.3038 5.3039 12.1800 12.1847 12.6097 12.6116 12.8197 12.8210 13.3095 13.3095 13.5510 13.5510 k =-0.4444 0.2742 0.0000 ( 4226 PWs) bands (ev): -13.2390 -13.2390 -13.0098 -13.0097 -11.4868 -11.4868 -9.0209 -9.0206 -8.8493 -8.8479 -8.7306 -8.7285 -3.4239 -3.4234 -1.7785 -1.7755 -1.5800 -1.5744 -0.9666 -0.9596 -0.6202 -0.6159 -0.3108 -0.3094 0.2788 0.2800 1.0055 1.0057 2.1806 2.1807 2.5038 2.5071 2.6703 2.6746 2.7717 2.7727 3.1086 3.1102 3.4193 3.4200 3.6422 3.6428 4.5918 4.5919 5.0849 5.0853 5.3003 5.3003 12.2239 12.2284 12.5714 12.5736 12.8682 12.8693 13.3181 13.3181 13.5516 13.5516 k =-0.4583 0.2828-0.0000 ( 4214 PWs) bands (ev): -13.2324 -13.2324 -13.0099 -13.0098 -11.4983 -11.4983 -9.0205 -9.0204 -8.8473 -8.8462 -8.7322 -8.7306 -3.4233 -3.4229 -1.7631 -1.7607 -1.5292 -1.5243 -0.9848 -0.9788 -0.6316 -0.6281 -0.3224 -0.3213 0.2520 0.2530 1.0268 1.0269 2.1628 2.1629 2.5210 2.5239 2.6732 2.6769 2.7625 2.7632 3.1102 3.1114 3.4024 3.4029 3.6384 3.6388 4.5911 4.5912 5.0874 5.0877 5.2975 5.2975 12.2683 12.2725 12.5316 12.5340 12.9079 12.9088 13.3250 13.3250 13.5533 13.5534 k =-0.4722 0.2914-0.0000 ( 4216 PWs) bands (ev): -13.2276 -13.2276 -13.0100 -13.0099 -11.5066 -11.5065 -9.0203 -9.0202 -8.8457 -8.8450 -8.7333 -8.7322 -3.4229 -3.4226 -1.7517 -1.7500 -1.4891 -1.4854 -1.0003 -0.9958 -0.6396 -0.6372 -0.3308 -0.3300 0.2321 0.2328 1.0425 1.0425 2.1499 2.1499 2.5333 2.5354 2.6765 2.6792 2.7551 2.7556 3.1119 3.1127 3.3896 3.3900 3.6356 3.6359 4.5906 4.5906 5.0891 5.0893 5.2955 5.2955 12.3126 12.3166 12.4906 12.4933 12.9375 12.9382 13.3300 13.3300 13.5556 13.5557 k =-0.4861 0.2999-0.0000 ( 4224 PWs) bands (ev): -13.2247 -13.2247 -13.0100 -13.0100 -11.5116 -11.5115 -9.0201 -9.0201 -8.8447 -8.8443 -8.7339 -8.7334 -3.4225 -3.4224 -1.7446 -1.7437 -1.4626 -1.4606 -1.0105 -1.0081 -0.6442 -0.6430 -0.3358 -0.3354 0.2199 0.2203 1.0521 1.0521 2.1421 2.1421 2.5407 2.5419 2.6793 2.6807 2.7505 2.7507 3.1132 3.1136 3.3818 3.3820 3.6339 3.6341 4.5903 4.5903 5.0902 5.0903 5.2943 5.2943 12.3561 12.3596 12.4493 12.4522 12.9559 12.9563 13.3330 13.3330 13.5575 13.5576 k =-0.5000 0.3085-0.0000 ( 4226 PWs) bands (ev): -13.2237 -13.2237 -13.0100 -13.0100 -11.5132 -11.5132 -9.0200 -9.0200 -8.8442 -8.8442 -8.7340 -8.7340 -3.4224 -3.4224 -1.7419 -1.7419 -1.4527 -1.4527 -1.0134 -1.0134 -0.6454 -0.6454 -0.3374 -0.3374 0.2159 0.2159 1.0554 1.0554 2.1395 2.1395 2.5436 2.5436 2.6808 2.6808 2.7489 2.7489 3.1138 3.1138 3.3791 3.3791 3.6334 3.6334 4.5901 4.5901 5.0906 5.0906 5.2939 5.2939 12.3890 12.3890 12.4203 12.4203 12.9623 12.9623 13.3340 13.3340 13.5583 13.5583 k =-0.5000 0.3085-0.0000 ( 4226 PWs) bands (ev): -13.2237 -13.2237 -13.0100 -13.0100 -11.5132 -11.5132 -9.0200 -9.0200 -8.8442 -8.8442 -8.7340 -8.7340 -3.4224 -3.4224 -1.7419 -1.7419 -1.4527 -1.4527 -1.0134 -1.0134 -0.6454 -0.6454 -0.3374 -0.3374 0.2159 0.2159 1.0554 1.0554 2.1395 2.1395 2.5436 2.5436 2.6808 2.6808 2.7489 2.7489 3.1138 3.1138 3.3791 3.3791 3.6334 3.6334 4.5901 4.5901 5.0906 5.0906 5.2939 5.2939 12.3890 12.3890 12.4203 12.4203 12.9623 12.9623 13.3340 13.3340 13.5583 13.5583 k =-0.4914 0.3224-0.0000 ( 4218 PWs) bands (ev): -13.2239 -13.2239 -13.0101 -13.0101 -11.5123 -11.5122 -9.0273 -9.0258 -8.8438 -8.8435 -8.7300 -8.7280 -3.4220 -3.4219 -1.7445 -1.7441 -1.4462 -1.4458 -1.0142 -1.0142 -0.6470 -0.6467 -0.3473 -0.3446 0.2222 0.2251 1.0554 1.0557 2.1393 2.1396 2.5426 2.5451 2.6786 2.6796 2.7486 2.7510 3.1121 3.1133 3.3800 3.3805 3.6331 3.6334 4.5911 4.5916 5.0875 5.0882 5.2926 5.2933 12.3886 12.3888 12.4212 12.4213 12.9673 12.9679 13.3176 13.3247 13.5708 13.5779 k =-0.4828 0.3364-0.0000 ( 4218 PWs) bands (ev): -13.2243 -13.2243 -13.0103 -13.0103 -11.5093 -11.5093 -9.0460 -9.0433 -8.8422 -8.8416 -8.7172 -8.7136 -3.4207 -3.4205 -1.7511 -1.7503 -1.4273 -1.4266 -1.0167 -1.0167 -0.6514 -0.6509 -0.3728 -0.3678 0.2428 0.2483 1.0558 1.0564 2.1390 2.1397 2.5423 2.5471 2.6729 2.6750 2.7501 2.7546 3.1080 3.1105 3.3829 3.3840 3.6323 3.6330 4.5944 4.5953 5.0791 5.0804 5.2893 5.2907 12.3879 12.3881 12.4241 12.4242 12.9826 12.9836 13.2847 13.2957 13.6092 13.6202 k =-0.4742 0.3503-0.0000 ( 4226 PWs) bands (ev): -13.2251 -13.2251 -13.0107 -13.0107 -11.5045 -11.5044 -9.0735 -9.0701 -8.8396 -8.8386 -8.6982 -8.6934 -3.4186 -3.4183 -1.7599 -1.7586 -1.3979 -1.3968 -1.0209 -1.0208 -0.6587 -0.6579 -0.4105 -0.4038 0.2747 0.2821 1.0564 1.0574 2.1388 2.1397 2.5425 2.5494 2.6638 2.6670 2.7534 2.7600 3.1018 3.1055 3.3880 3.3897 3.6313 3.6323 4.6001 4.6014 5.0655 5.0674 5.2840 5.2860 12.3871 12.3873 12.4289 12.4290 13.0076 13.0088 13.2458 13.2588 13.6619 13.6747 k =-0.4656 0.3643-0.0000 ( 4230 PWs) bands (ev): -13.2262 -13.2262 -13.0111 -13.0111 -11.4977 -11.4976 -9.1071 -9.1033 -8.8358 -8.8345 -8.6757 -8.6701 -3.4156 -3.4152 -1.7689 -1.7673 -1.3600 -1.3584 -1.0266 -1.0265 -0.6688 -0.6676 -0.4571 -0.4493 0.3144 0.3232 1.0573 1.0586 2.1387 2.1399 2.5432 2.5519 2.6513 2.6554 2.7587 2.7670 3.0934 3.0983 3.3952 3.3975 3.6299 3.6313 4.6080 4.6098 5.0470 5.0494 5.2767 5.2793 12.3868 12.3869 12.4355 12.4357 13.0411 13.0417 13.2069 13.2214 13.7226 13.7361 k =-0.4570 0.3782-0.0000 ( 4230 PWs) bands (ev): -13.2276 -13.2276 -13.0117 -13.0117 -11.4889 -11.4889 -9.1450 -9.1410 -8.8309 -8.8294 -8.6517 -8.6455 -3.4117 -3.4113 -1.7766 -1.7746 -1.3152 -1.3132 -1.0340 -1.0339 -0.6814 -0.6800 -0.5098 -0.5013 0.3591 0.3689 1.0582 1.0598 2.1388 2.1403 2.5442 2.5544 2.6352 2.6403 2.7661 2.7758 3.0829 3.0890 3.4044 3.4073 3.6282 3.6300 4.6181 4.6204 5.0240 5.0268 5.2673 5.2703 12.3871 12.3874 12.4440 12.4441 13.0783 13.0796 13.1728 13.1896 13.7881 13.8020 k =-0.4484 0.3921-0.0000 ( 4234 PWs) bands (ev): -13.2294 -13.2293 -13.0124 -13.0124 -11.4782 -11.4781 -9.1858 -9.1818 -8.8250 -8.8231 -8.6275 -8.6208 -3.4072 -3.4066 -1.7820 -1.7796 -1.2649 -1.2624 -1.0430 -1.0429 -0.6965 -0.6948 -0.5666 -0.5576 0.4068 0.4173 1.0590 1.0609 2.1394 2.1410 2.5455 2.5567 2.6156 2.6216 2.7756 2.7863 3.0706 3.0778 3.4156 3.4193 3.6263 3.6286 4.6305 4.6331 4.9969 5.0000 5.2560 5.2593 12.3884 12.3891 12.4542 12.4544 13.1008 13.1029 13.1644 13.1819 13.8505 13.8519 k =-0.4398 0.4061-0.0000 ( 4218 PWs) bands (ev): -13.2315 -13.2314 -13.0132 -13.0132 -11.4656 -11.4655 -9.2289 -9.2248 -8.8179 -8.8157 -8.6039 -8.5968 -3.4019 -3.4013 -1.7843 -1.7815 -1.2099 -1.2070 -1.0535 -1.0534 -0.7140 -0.7119 -0.6259 -0.6168 0.4560 0.4670 1.0596 1.0617 2.1405 2.1422 2.5469 2.5587 2.5925 2.5993 2.7873 2.7985 3.0565 3.0647 3.4287 3.4332 3.6241 3.6270 4.6449 4.6480 4.9661 4.9693 5.2427 5.2462 12.3908 12.3922 12.4661 12.4663 13.0851 13.0882 13.2074 13.2193 13.8341 13.8360 k =-0.4312 0.4200-0.0000 ( 4222 PWs) bands (ev): -13.2340 -13.2339 -13.0141 -13.0141 -11.4510 -11.4510 -9.2734 -9.2695 -8.8099 -8.8074 -8.5814 -8.5740 -3.3959 -3.3952 -1.7833 -1.7801 -1.1513 -1.1478 -1.0656 -1.0655 -0.7336 -0.7311 -0.6864 -0.6774 0.5058 0.5171 1.0596 1.0619 2.1424 2.1441 2.5482 2.5603 2.5659 2.5733 2.8010 2.8124 3.0408 3.0500 3.4436 3.4490 3.6218 3.6254 4.6613 4.6647 4.9319 4.9353 5.2274 5.2311 12.3944 12.3967 12.4797 12.4799 13.0598 13.0644 13.2681 13.2778 13.8077 13.8100 k =-0.4226 0.4340-0.0000 ( 4228 PWs) bands (ev): -13.2368 -13.2367 -13.0150 -13.0150 -11.4346 -11.4345 -9.3192 -9.3153 -8.8008 -8.7980 -8.5603 -8.5527 -3.3893 -3.3886 -1.7785 -1.7751 -1.0914 -1.0865 -1.0784 -1.0778 -0.7565 -0.7522 -0.7456 -0.7382 0.5555 0.5670 1.0588 1.0614 2.1451 2.1469 2.5345 2.5433 2.5507 2.5617 2.8167 2.8278 3.0237 3.0338 3.4601 3.4667 3.6196 3.6239 4.6795 4.6834 4.8948 4.8983 5.2104 5.2142 12.3990 12.4022 12.4947 12.4949 13.0372 13.0419 13.3362 13.3450 13.7715 13.7740 k =-0.4140 0.4479-0.0000 ( 4234 PWs) bands (ev): -13.2401 -13.2400 -13.0160 -13.0160 -11.4162 -11.4161 -9.3657 -9.3620 -8.7907 -8.7876 -8.5410 -8.5331 -3.3823 -3.3815 -1.7701 -1.7663 -1.0948 -1.0942 -1.0282 -1.0234 -0.8057 -0.7965 -0.7772 -0.7750 0.6046 0.6163 1.0572 1.0600 2.1489 2.1507 2.5006 2.5098 2.5520 2.5627 2.8342 2.8448 3.0054 3.0163 3.4779 3.4860 3.6175 3.6229 4.6995 4.7037 4.8553 4.8587 5.1918 5.1956 12.4041 12.4085 12.5111 12.5113 13.0195 13.0234 13.4096 13.4180 13.7278 13.7304 k =-0.4054 0.4618-0.0000 ( 4230 PWs) bands (ev): -13.2437 -13.2436 -13.0169 -13.0169 -11.3959 -11.3958 -9.4128 -9.4093 -8.7797 -8.7763 -8.5236 -8.5155 -3.3748 -3.3739 -1.7579 -1.7539 -1.1111 -1.1106 -0.9785 -0.9712 -0.8488 -0.8419 -0.8021 -0.7993 0.6528 0.6646 1.0543 1.0573 2.1540 2.1558 2.4629 2.4725 2.5535 2.5635 2.8532 2.8631 2.9860 2.9976 3.4968 3.5066 3.6158 3.6226 4.7211 4.7257 4.8137 4.8171 5.1717 5.1755 12.4093 12.4149 12.5288 12.5289 13.0075 13.0104 13.4873 13.4954 13.6790 13.6817 k =-0.3968 0.4758-0.0000 ( 4238 PWs) bands (ev): -13.2478 -13.2477 -13.0179 -13.0178 -11.3738 -11.3737 -9.4603 -9.4569 -8.7677 -8.7641 -8.5081 -8.4998 -3.3670 -3.3661 -1.7423 -1.7380 -1.1288 -1.1282 -0.9809 -0.9703 -0.8380 -0.8328 -0.8269 -0.8249 0.6999 0.7118 1.0500 1.0532 2.1604 2.1621 2.4215 2.4316 2.5552 2.5642 2.8735 2.8825 2.9657 2.9778 3.5159 3.5281 3.6151 3.6239 4.7442 4.7491 4.7704 4.7738 5.1504 5.1542 12.4140 12.4210 12.5474 12.5476 13.0020 13.0037 13.5685 13.5765 13.6270 13.6296 k =-0.3882 0.4897-0.0000 ( 4242 PWs) bands (ev): -13.2524 -13.2523 -13.0188 -13.0188 -11.3498 -11.3496 -9.5079 -9.5046 -8.7549 -8.7510 -8.4947 -8.4862 -3.3591 -3.3581 -1.7234 -1.7190 -1.1478 -1.1471 -1.0279 -1.0171 -0.8555 -0.8516 -0.7764 -0.7726 0.7457 0.7577 1.0441 1.0474 2.1683 2.1700 2.3767 2.3870 2.5570 2.5649 2.8949 2.9028 2.9446 2.9573 3.5341 3.5492 3.6165 3.6278 4.7257 4.7288 4.7689 4.7739 5.1281 5.1317 12.4178 12.4260 12.5670 12.5672 13.0035 13.0038 13.5726 13.5752 13.6531 13.6609 k =-0.3796 0.5037-0.0000 ( 4237 PWs) bands (ev): -13.2573 -13.2572 -13.0196 -13.0196 -11.3239 -11.3238 -9.5555 -9.5524 -8.7413 -8.7370 -8.4833 -8.4747 -3.3511 -3.3500 -1.7019 -1.6973 -1.1679 -1.1671 -1.0841 -1.0734 -0.8834 -0.8792 -0.7035 -0.6991 0.7902 0.8022 1.0364 1.0398 2.1779 2.1794 2.3284 2.3390 2.5591 2.5658 2.9162 2.9237 2.9238 2.9360 3.5498 3.5672 3.6231 3.6363 4.6800 4.6831 4.7945 4.7999 5.1049 5.1084 12.4201 12.4296 12.5871 12.5874 13.0114 13.0124 13.5170 13.5195 13.7399 13.7477 k =-0.3710 0.5176-0.0000 ( 4241 PWs) bands (ev): -13.2628 -13.2627 -13.0204 -13.0204 -11.2962 -11.2960 -9.6030 -9.6000 -8.7269 -8.7224 -8.4740 -8.4653 -3.3432 -3.3420 -1.6787 -1.6740 -1.1891 -1.1882 -1.1405 -1.1300 -0.9119 -0.9075 -0.6257 -0.6208 0.8333 0.8453 1.0267 1.0302 2.1892 2.1906 2.2769 2.2877 2.5614 2.5670 2.9002 2.9139 2.9400 2.9454 3.5611 3.5783 3.6384 3.6509 4.6337 4.6366 4.8213 4.8269 5.0810 5.0845 12.4208 12.4313 12.6077 12.6079 13.0266 13.0288 13.4603 13.4628 13.8289 13.8366 k =-0.3624 0.5316-0.0000 ( 4233 PWs) bands (ev): -13.2687 -13.2686 -13.0211 -13.0211 -11.2667 -11.2665 -9.6502 -9.6474 -8.7118 -8.7070 -8.4667 -8.4579 -3.3355 -3.3343 -1.6551 -1.6504 -1.2116 -1.2102 -1.1938 -1.1837 -0.9410 -0.9362 -0.5450 -0.5398 0.8750 0.8869 1.0148 1.0184 2.2022 2.2036 2.2225 2.2334 2.5641 2.5685 2.8775 2.8914 2.9629 2.9672 3.5680 3.5830 3.6620 3.6718 4.5870 4.5898 4.8489 4.8548 5.0567 5.0601 12.4197 12.4311 12.6283 12.6286 13.0493 13.0526 13.4029 13.4053 13.9194 13.9272 k =-0.3538 0.5455-0.0000 ( 4241 PWs) bands (ev): -13.2751 -13.2750 -13.0217 -13.0217 -11.2354 -11.2352 -9.6970 -9.6943 -8.6961 -8.6910 -8.4613 -8.4525 -3.3282 -3.3270 -1.6338 -1.6292 -1.2436 -1.2331 -1.2326 -1.2315 -0.9702 -0.9651 -0.4624 -0.4567 0.9153 0.9273 1.0008 1.0044 2.1651 2.1757 2.2176 2.2186 2.5672 2.5704 2.8543 2.8684 2.9858 2.9889 3.5719 3.5846 3.6906 3.6976 4.5403 4.5428 4.8774 4.8834 5.0322 5.0354 12.4171 12.4291 12.6486 12.6490 13.0792 13.0833 13.3450 13.3472 14.0111 14.0188 k =-0.3452 0.5594-0.0000 ( 4243 PWs) bands (ev): -13.2819 -13.2818 -13.0222 -13.0222 -11.2023 -11.2020 -9.7433 -9.7408 -8.6798 -8.6744 -8.4579 -8.4491 -3.3215 -3.3202 -1.6190 -1.6144 -1.2806 -1.2691 -1.2572 -1.2568 -0.9994 -0.9939 -0.3782 -0.3721 0.9543 0.9661 0.9846 0.9881 2.1052 2.1158 2.2346 2.2355 2.5708 2.5729 2.8308 2.8449 3.0085 3.0104 3.5742 3.5853 3.7221 3.7271 4.4936 4.4960 4.9064 4.9126 5.0076 5.0106 12.4132 12.4256 12.6682 12.6687 13.1157 13.1205 13.2871 13.2891 14.0253 14.0258 k =-0.3452 0.5594-0.0000 ( 4243 PWs) bands (ev): -13.2819 -13.2818 -13.0222 -13.0222 -11.2023 -11.2020 -9.7433 -9.7408 -8.6798 -8.6744 -8.4579 -8.4491 -3.3215 -3.3202 -1.6190 -1.6144 -1.2806 -1.2691 -1.2572 -1.2568 -0.9994 -0.9939 -0.3782 -0.3721 0.9543 0.9661 0.9846 0.9881 2.1052 2.1158 2.2346 2.2355 2.5708 2.5729 2.8308 2.8449 3.0085 3.0104 3.5742 3.5853 3.7221 3.7271 4.4936 4.4960 4.9064 4.9126 5.0076 5.0106 12.4132 12.4256 12.6682 12.6687 13.1157 13.1205 13.2871 13.2891 14.0253 14.0258 k =-0.3452 0.5594 0.0163 ( 4247 PWs) bands (ev): -13.2817 -13.2816 -13.0223 -13.0223 -11.2013 -11.2010 -9.7428 -9.7402 -8.6822 -8.6768 -8.4589 -8.4500 -3.3189 -3.3177 -1.6296 -1.6249 -1.2679 -1.2572 -1.2568 -1.2558 -0.9980 -0.9925 -0.3820 -0.3760 0.9562 0.9679 0.9852 0.9887 2.1032 2.1137 2.2337 2.2346 2.5711 2.5732 2.8301 2.8441 3.0104 3.0123 3.5733 3.5843 3.7236 3.7284 4.4934 4.4958 4.9061 4.9124 5.0069 5.0100 12.4101 12.4224 12.6665 12.6670 13.1179 13.1226 13.2829 13.2849 14.0227 14.0232 k =-0.3452 0.5594 0.0326 ( 4248 PWs) bands (ev): -13.2812 -13.2810 -13.0226 -13.0226 -11.1984 -11.1981 -9.7411 -9.7386 -8.6894 -8.6840 -8.4617 -8.4529 -3.3113 -3.3101 -1.6576 -1.6527 -1.2595 -1.2582 -1.2303 -1.2201 -0.9939 -0.9884 -0.3934 -0.3875 0.9616 0.9731 0.9870 0.9905 2.0971 2.1074 2.2310 2.2319 2.5721 2.5740 2.8279 2.8416 3.0161 3.0180 3.5709 3.5816 3.7279 3.7324 4.4927 4.4951 4.9054 4.9116 5.0050 5.0080 12.4010 12.4132 12.6614 12.6619 13.1242 13.1286 13.2705 13.2725 14.0155 14.0161 k =-0.3452 0.5594 0.0489 ( 4251 PWs) bands (ev): -13.2802 -13.2801 -13.0231 -13.0231 -11.1935 -11.1932 -9.7384 -9.7359 -8.7012 -8.6959 -8.4664 -8.4577 -3.2987 -3.2975 -1.6954 -1.6903 -1.2610 -1.2600 -1.1794 -1.1692 -0.9869 -0.9814 -0.4119 -0.4063 0.9704 0.9813 0.9902 0.9934 2.0871 2.0970 2.2266 2.2275 2.5738 2.5755 2.8241 2.8375 3.0254 3.0272 3.5671 3.5774 3.7346 3.7388 4.4915 4.4939 4.9041 4.9103 5.0018 5.0048 12.3868 12.3988 12.6531 12.6535 13.1343 13.1381 13.2499 13.2519 14.0053 14.0060 k =-0.3452 0.5594 0.0652 ( 4244 PWs) bands (ev): -13.2789 -13.2788 -13.0239 -13.0238 -11.1866 -11.1864 -9.7346 -9.7321 -8.7177 -8.7125 -8.4731 -8.4644 -3.2812 -3.2801 -1.7374 -1.7322 -1.2637 -1.2627 -1.1188 -1.1087 -0.9769 -0.9715 -0.4371 -0.4318 0.9818 0.9910 0.9956 0.9977 2.0732 2.0827 2.2206 2.2214 2.5765 2.5779 2.8187 2.8315 3.0382 3.0398 3.5623 3.5720 3.7435 3.7473 4.4900 4.4923 4.9023 4.9084 4.9973 5.0003 12.3686 12.3803 12.6417 12.6421 13.1472 13.1504 13.2217 13.2236 13.9937 13.9944 k =-0.3452 0.5594 0.0815 ( 4246 PWs) bands (ev): -13.2772 -13.2771 -13.0248 -13.0248 -11.1778 -11.1776 -9.7297 -9.7272 -8.7387 -8.7335 -8.4815 -8.4730 -3.2591 -3.2581 -1.7805 -1.7753 -1.2674 -1.2665 -1.0520 -1.0419 -0.9638 -0.9585 -0.4683 -0.4634 0.9952 0.9981 1.0034 1.0070 2.0557 2.0646 2.2130 2.2139 2.5803 2.5814 2.8116 2.8236 3.0539 3.0554 3.5566 3.5659 3.7540 3.7575 4.4880 4.4902 4.8999 4.9060 4.9915 4.9944 12.3476 12.3591 12.6274 12.6278 13.1623 13.1648 13.1865 13.1884 13.9820 13.9828 k =-0.3452 0.5594 0.0978 ( 4253 PWs) bands (ev): -13.2752 -13.2751 -13.0259 -13.0259 -11.1671 -11.1669 -9.7237 -9.7213 -8.7639 -8.7589 -8.4918 -8.4833 -3.2325 -3.2316 -1.8230 -1.8178 -1.2723 -1.2714 -0.9810 -0.9707 -0.9472 -0.9422 -0.5048 -0.5004 1.0048 1.0074 1.0129 1.0213 2.0347 2.0429 2.2041 2.2049 2.5852 2.5859 2.8025 2.8137 3.0724 3.0737 3.5505 3.5593 3.7660 3.7692 4.4856 4.4878 4.8968 4.9029 4.9844 4.9873 12.3253 12.3366 12.6105 12.6108 13.1447 13.1467 13.1799 13.1814 13.9709 13.9718 k =-0.3452 0.5594 0.1141 ( 4259 PWs) bands (ev): -13.2728 -13.2727 -13.0272 -13.0272 -11.1544 -11.1542 -9.7166 -9.7143 -8.7933 -8.7883 -8.5038 -8.4955 -3.2017 -3.2010 -1.8638 -1.8588 -1.2784 -1.2776 -0.9285 -0.9225 -0.9057 -0.8963 -0.5458 -0.5418 1.0125 1.0161 1.0280 1.0367 2.0104 2.0178 2.1941 2.1949 2.5914 2.5918 2.7913 2.8016 3.0933 3.0944 3.5440 3.5524 3.7790 3.7820 4.4829 4.4850 4.8931 4.8990 4.9760 4.9789 12.3027 12.3139 12.5910 12.5913 13.0993 13.1010 13.1980 13.1988 13.9606 13.9614 k =-0.3452 0.5594 0.1304 ( 4257 PWs) bands (ev): -13.2700 -13.2699 -13.0288 -13.0288 -11.1398 -11.1396 -9.7085 -9.7062 -8.8265 -8.8216 -8.5175 -8.5094 -3.1671 -3.1665 -1.9025 -1.8976 -1.2859 -1.2851 -0.9049 -0.8994 -0.8297 -0.8199 -0.5901 -0.5865 1.0212 1.0251 1.0442 1.0524 1.9830 1.9896 2.1832 2.1840 2.5988 2.5989 2.7779 2.7871 3.1162 3.1172 3.5373 3.5454 3.7930 3.7958 4.4799 4.4819 4.8885 4.8944 4.9664 4.9691 12.2811 12.2922 12.5689 12.5692 13.0511 13.0528 13.2172 13.2172 13.9505 13.9513 k =-0.3452 0.5594 0.1467 ( 4252 PWs) bands (ev): -13.2670 -13.2668 -13.0305 -13.0305 -11.1232 -11.1231 -9.6993 -9.6970 -8.8633 -8.8586 -8.5329 -8.5249 -3.1290 -3.1286 -1.9386 -1.9338 -1.2949 -1.2940 -0.8781 -0.8727 -0.7541 -0.7444 -0.6350 -0.6317 1.0311 1.0351 1.0601 1.0677 1.9528 1.9585 2.1718 2.1726 2.6070 2.6074 2.7620 2.7701 3.1408 3.1416 3.5306 3.5384 3.8077 3.8104 4.4766 4.4786 4.8831 4.8889 4.9555 4.9582 12.2613 12.2723 12.5442 12.5444 13.0024 13.0039 13.2363 13.2370 13.9402 13.9409 k =-0.3452 0.5594 0.1630 ( 4252 PWs) bands (ev): -13.2636 -13.2634 -13.0325 -13.0325 -11.1048 -11.1047 -9.6890 -9.6868 -8.9034 -8.8989 -8.5499 -8.5421 -3.0877 -3.0874 -1.9719 -1.9673 -1.3053 -1.3045 -0.8477 -0.8425 -0.7122 -0.7071 -0.6473 -0.6397 1.0422 1.0463 1.0754 1.0823 1.9199 1.9248 2.1602 2.1611 2.6162 2.6169 2.7436 2.7506 3.1668 3.1675 3.5239 3.5314 3.8230 3.8257 4.4731 4.4751 4.8768 4.8824 4.9433 4.9460 12.2441 12.2551 12.5166 12.5167 12.9550 12.9564 13.2559 13.2573 13.9289 13.9296 k =-0.3452 0.5594 0.1793 ( 4250 PWs) bands (ev): -13.2599 -13.2597 -13.0347 -13.0347 -11.0844 -11.0843 -9.6776 -9.6755 -8.9467 -8.9422 -8.5684 -8.5608 -3.0436 -3.0434 -2.0022 -1.9979 -1.3172 -1.3164 -0.8137 -0.8086 -0.7530 -0.7503 -0.5777 -0.5682 1.0544 1.0587 1.0894 1.0957 1.8846 1.8886 2.1487 2.1496 2.6261 2.6272 2.7225 2.7282 3.1939 3.1944 3.5173 3.5245 3.8389 3.8416 4.4696 4.4714 4.8694 4.8750 4.9301 4.9326 12.2302 12.2412 12.4859 12.4859 12.9109 12.9121 13.2759 13.2781 13.9159 13.9165 k =-0.3452 0.5594 0.1956 ( 4252 PWs) bands (ev): -13.2558 -13.2557 -13.0371 -13.0371 -11.0622 -11.0621 -9.6652 -9.6632 -8.9927 -8.9884 -8.5884 -8.5810 -2.9970 -2.9970 -2.0295 -2.0254 -1.3306 -1.3298 -0.8068 -0.8044 -0.7756 -0.7710 -0.4964 -0.4867 1.0678 1.0722 1.1020 1.1076 1.8471 1.8503 2.1376 2.1387 2.6365 2.6379 2.6985 2.7031 3.2218 3.2221 3.5109 3.5179 3.8553 3.8580 4.4659 4.4677 4.8610 4.8664 4.9156 4.9181 12.2199 12.2309 12.4522 12.4523 12.8715 12.8726 13.2962 13.2990 13.9005 13.9010 k =-0.3452 0.5594 0.2119 ( 4258 PWs) bands (ev): -13.2515 -13.2514 -13.0397 -13.0397 -11.0381 -11.0381 -9.6517 -9.6498 -9.0413 -9.0372 -8.6097 -8.6026 -2.9485 -2.9483 -2.0536 -2.0497 -1.3455 -1.3447 -0.8627 -0.8608 -0.7345 -0.7299 -0.4132 -0.4034 1.0823 1.0869 1.1129 1.1178 1.8076 1.8099 2.1275 2.1287 2.6470 2.6485 2.6718 2.6752 3.2501 3.2502 3.5047 3.5115 3.8721 3.8749 4.4624 4.4641 4.8514 4.8567 4.9001 4.9025 12.2138 12.2249 12.4157 12.4159 12.8380 12.8390 13.3165 13.3200 13.8820 13.8825 k =-0.3452 0.5594 0.2282 ( 4260 PWs) bands (ev): -13.2470 -13.2468 -13.0425 -13.0425 -11.0122 -11.0122 -9.6372 -9.6354 -9.0922 -9.0882 -8.6324 -8.6255 -2.8982 -2.8979 -2.0746 -2.0709 -1.3619 -1.3611 -0.9201 -0.9186 -0.6896 -0.6852 -0.3294 -0.3196 1.0980 1.1026 1.1219 1.1261 1.7663 1.7678 2.1185 2.1199 2.6415 2.6434 2.6580 2.6599 3.2784 3.2785 3.4989 3.5054 3.8894 3.8923 4.4590 4.4606 4.8405 4.8456 4.8837 4.8859 12.2121 12.2232 12.3772 12.3776 12.8107 12.8117 13.3366 13.3408 13.8599 13.8604 k =-0.3452 0.5594 0.2445 ( 4248 PWs) bands (ev): -13.2422 -13.2420 -13.0455 -13.0455 -10.9844 -10.9844 -9.6217 -9.6200 -9.1451 -9.1413 -8.6563 -8.6497 -2.8466 -2.8461 -2.0923 -2.0889 -1.3798 -1.3790 -0.9783 -0.9771 -0.6412 -0.6370 -0.2455 -0.2358 1.1147 1.1193 1.1291 1.1325 1.7234 1.7240 2.1110 2.1126 2.6090 2.6098 2.6676 2.6696 3.3064 3.3067 3.4935 3.4998 3.9072 3.9101 4.4558 4.4574 4.8283 4.8333 4.8663 4.8684 12.2150 12.2261 12.3377 12.3384 12.7897 12.7906 13.3561 13.3610 13.8336 13.8341 k =-0.3452 0.5594 0.2608 ( 4255 PWs) bands (ev): -13.2371 -13.2370 -13.0487 -13.0487 -10.9548 -10.9548 -9.6051 -9.6035 -9.1997 -9.1961 -8.6813 -8.6749 -2.7939 -2.7933 -2.1069 -2.1037 -1.3991 -1.3984 -1.0369 -1.0359 -0.5893 -0.5854 -0.1621 -0.1524 1.1319 1.1326 1.1373 1.1387 1.6789 1.6789 2.1055 2.1072 2.5730 2.5734 2.6764 2.6787 3.3338 3.3342 3.4885 3.4947 3.9256 3.9286 4.4530 4.4546 4.8148 4.8196 4.8481 4.8501 12.2226 12.2337 12.2986 12.2996 12.7746 12.7755 13.3746 13.3801 13.8024 13.8030 k =-0.3452 0.5594 0.2771 ( 4255 PWs) bands (ev): -13.2318 -13.2317 -13.0522 -13.0522 -10.9235 -10.9234 -9.5875 -9.5861 -9.2559 -9.2524 -8.7073 -8.7012 -2.7404 -2.7397 -2.1182 -2.1152 -1.4199 -1.4192 -1.0955 -1.0948 -0.5341 -0.5304 -0.0795 -0.0698 1.1360 1.1384 1.1518 1.1570 1.6325 1.6333 2.1021 2.1040 2.5333 2.5349 2.6840 2.6864 3.3600 3.3608 3.4843 3.4903 3.9446 3.9477 4.4506 4.4522 4.7998 4.8045 4.8293 4.8311 12.2349 12.2459 12.2612 12.2626 12.7646 12.7655 13.3914 13.3976 13.7657 13.7664 k =-0.3452 0.5594 0.2934 ( 4253 PWs) bands (ev): -13.2263 -13.2262 -13.0558 -13.0558 -10.8904 -10.8902 -9.5690 -9.5676 -9.3133 -9.3100 -8.7343 -8.7285 -2.6864 -2.6856 -2.1263 -2.1235 -1.4421 -1.4415 -1.1539 -1.1534 -0.4756 -0.4723 0.0019 0.0115 1.1366 1.1385 1.1712 1.1766 1.5853 1.5866 2.1012 2.1033 2.4909 2.4936 2.6898 2.6924 3.3848 3.3858 3.4809 3.4868 3.9644 3.9676 4.4488 4.4503 4.7834 4.7879 4.8099 4.8115 12.2265 12.2278 12.2521 12.2635 12.7593 12.7602 13.4056 13.4126 13.7226 13.7236 k =-0.3452 0.5594 0.3097 ( 4249 PWs) bands (ev): -13.2207 -13.2205 -13.0597 -13.0597 -10.8555 -10.8553 -9.5494 -9.5482 -9.3718 -9.3686 -8.7621 -8.7566 -2.6322 -2.6314 -2.1312 -2.1287 -1.4658 -1.4652 -1.2120 -1.2116 -0.4141 -0.4111 0.0818 0.0913 1.1350 1.1363 1.1911 1.1965 1.5376 1.5394 2.1031 2.1054 2.4460 2.4498 2.6935 2.6963 3.4075 3.4088 3.4786 3.4844 3.9851 3.9883 4.4476 4.4491 4.7655 4.7699 4.7900 4.7915 12.1958 12.1974 12.2738 12.2852 12.7579 12.7588 13.4164 13.4240 13.6727 13.6741 k =-0.3452 0.5594 0.3260 ( 4250 PWs) bands (ev): -13.2149 -13.2147 -13.0638 -13.0637 -10.8189 -10.8186 -9.5289 -9.5279 -9.4312 -9.4281 -8.7907 -8.7854 -2.5781 -2.5771 -2.1329 -2.1307 -1.4908 -1.4902 -1.2694 -1.2691 -0.3496 -0.3471 0.1597 0.1690 1.1313 1.1320 1.2106 1.2158 1.4906 1.4925 2.1080 2.1105 2.3986 2.4036 2.6949 2.6978 3.4272 3.4289 3.4782 3.4838 4.0068 4.0101 4.4472 4.4487 4.7462 4.7504 4.7698 4.7712 12.1698 12.1717 12.3001 12.3114 12.7595 12.7605 13.4224 13.4307 13.6159 13.6178 k =-0.3452 0.5594 0.3423 ( 4254 PWs) bands (ev): -13.2089 -13.2087 -13.0680 -13.0680 -10.7807 -10.7803 -9.5075 -9.5066 -9.4911 -9.4882 -8.8199 -8.8150 -2.5241 -2.5231 -2.1316 -2.1296 -1.5172 -1.5167 -1.3259 -1.3258 -0.2825 -0.2804 0.2352 0.2444 1.1254 1.1256 1.2279 1.2324 1.4463 1.4478 2.1161 2.1188 2.3492 2.3551 2.6935 2.6965 3.4430 3.4447 3.4807 3.4859 4.0297 4.0330 4.4475 4.4490 4.7254 4.7294 4.7495 4.7506 12.1493 12.1515 12.3307 12.3420 12.7635 12.7644 13.4226 13.4314 13.5528 13.5553 k =-0.3452 0.5594 0.3586 ( 4256 PWs) bands (ev): -13.2028 -13.2026 -13.0725 -13.0724 -10.7407 -10.7403 -9.5517 -9.5489 -9.4851 -9.4843 -8.8497 -8.8451 -2.4706 -2.4696 -2.1271 -2.1253 -1.5451 -1.5446 -1.3815 -1.3815 -0.2129 -0.2112 0.3082 0.3172 1.1172 1.1175 1.2381 1.2409 1.4100 1.4101 2.1275 2.1303 2.2979 2.3048 2.6891 2.6922 3.4538 3.4548 3.4874 3.4914 4.0538 4.0571 4.4488 4.4502 4.7032 4.7071 4.7291 4.7300 12.1347 12.1372 12.3655 12.3767 12.7685 12.7694 13.4157 13.4249 13.4853 13.4884 k =-0.3452 0.5594 0.3749 ( 4254 PWs) bands (ev): -13.1966 -13.1964 -13.0772 -13.0771 -10.6992 -10.6987 -9.6124 -9.6098 -9.4618 -9.4612 -8.8800 -8.8756 -2.4176 -2.4165 -2.1197 -2.1181 -1.5742 -1.5738 -1.4361 -1.4360 -0.1411 -0.1399 0.3782 0.3870 1.1066 1.1075 1.2315 1.2320 1.3885 1.3918 2.1423 2.1453 2.2451 2.2529 2.6815 2.6847 3.4604 3.4604 3.4970 3.4995 4.0793 4.0825 4.4510 4.4524 4.6796 4.6834 4.7087 4.7095 12.1266 12.1294 12.4042 12.4154 12.7732 12.7740 13.4010 13.4103 13.4164 13.4202 k =-0.3452 0.5594 0.3912 ( 4259 PWs) bands (ev): -13.1903 -13.1901 -13.0820 -13.0819 -10.6561 -10.6555 -9.6733 -9.6708 -9.4377 -9.4373 -8.9106 -8.9066 -2.3653 -2.3642 -2.1093 -2.1079 -1.6047 -1.6044 -1.4894 -1.4892 -0.0673 -0.0667 0.4449 0.4535 1.0941 1.0954 1.1995 1.2028 1.3900 1.3961 2.1605 2.1636 2.1913 2.1998 2.6706 2.6739 3.4642 3.4648 3.5067 3.5081 4.1061 4.1093 4.4542 4.4556 4.6547 4.6584 4.6886 4.6892 12.1253 12.1282 12.4465 12.4576 12.7754 12.7760 13.3497 13.3535 13.3783 13.3881 k =-0.3452 0.5594 0.4075 ( 4259 PWs) bands (ev): -13.1839 -13.1838 -13.0870 -13.0870 -10.6114 -10.6108 -9.7342 -9.7318 -9.4127 -9.4125 -8.9416 -8.9378 -2.3137 -2.3127 -2.0959 -2.0947 -1.6366 -1.6363 -1.5412 -1.5410 0.0080 0.0081 0.5083 0.5165 1.0796 1.0814 1.1523 1.1571 1.4079 1.4156 2.1364 2.1457 2.1822 2.1854 2.6562 2.6596 3.4679 3.4687 3.5148 3.5156 4.1341 4.1372 4.4584 4.4598 4.6286 4.6322 4.6688 4.6692 12.1308 12.1340 12.4922 12.5032 12.7721 12.7724 13.2899 13.2938 13.3479 13.3576 k =-0.3452 0.5594 0.4238 ( 4261 PWs) bands (ev): -13.1775 -13.1774 -13.0923 -13.0922 -10.5653 -10.5646 -9.7948 -9.7926 -9.3870 -9.3870 -8.9727 -8.9692 -2.2631 -2.2621 -2.0797 -2.0787 -1.6697 -1.6695 -1.5915 -1.5912 0.0841 0.0846 0.5680 0.5760 1.0630 1.0652 1.0972 1.1026 1.4345 1.4431 2.0812 2.0912 2.2068 2.2101 2.6384 2.6418 3.4719 3.4728 3.5208 3.5212 4.1633 4.1664 4.4638 4.4651 4.6013 4.6048 4.6494 4.6496 12.1433 12.1467 12.5409 12.5518 12.7594 12.7596 13.2419 13.2457 13.3104 13.3201 k =-0.3452 0.5594 0.4401 ( 4263 PWs) bands (ev): -13.1711 -13.1709 -13.0976 -13.0975 -10.5177 -10.5169 -9.8552 -9.8531 -9.3607 -9.3605 -9.0040 -9.0008 -2.2134 -2.2124 -2.0607 -2.0598 -1.7041 -1.7041 -1.6401 -1.6399 0.1611 0.1622 0.6241 0.6317 1.0369 1.0425 1.0448 1.0474 1.4661 1.4752 2.0261 2.0365 2.2344 2.2377 2.6173 2.6208 3.4766 3.4773 3.5247 3.5247 4.1935 4.1965 4.4702 4.4715 4.5729 4.5763 4.6305 4.6305 12.1627 12.1663 12.5922 12.6030 12.7339 12.7348 13.2101 13.2134 13.2671 13.2767 k =-0.3452 0.5594 0.4564 ( 4267 PWs) bands (ev): -13.1646 -13.1645 -13.1032 -13.1031 -10.4686 -10.4678 -9.9151 -9.9132 -9.3336 -9.3332 -9.0352 -9.0323 -2.1647 -2.1638 -2.0389 -2.0382 -1.7399 -1.7399 -1.6870 -1.6867 0.2386 0.2404 0.6765 0.6837 0.9739 0.9797 1.0238 1.0270 1.5011 1.5107 1.9712 1.9821 2.2645 2.2679 2.5931 2.5966 3.4818 3.4824 3.5263 3.5264 4.2245 4.2276 4.4778 4.4789 4.5436 4.5469 4.6121 4.6123 12.1890 12.1928 12.6456 12.6566 12.6954 12.6967 13.1959 13.1987 13.2190 13.2284 k =-0.3452 0.5594 0.4727 ( 4265 PWs) bands (ev): -13.1582 -13.1581 -13.1088 -13.1087 -10.4183 -10.4173 -9.9745 -9.9727 -9.3059 -9.3053 -9.0665 -9.0638 -2.1170 -2.1162 -2.0145 -2.0140 -1.7769 -1.7768 -1.7320 -1.7317 0.3164 0.3188 0.7252 0.7321 0.9079 0.9137 1.0010 1.0046 1.5389 1.5490 1.9171 1.9282 2.2967 2.3001 2.5660 2.5695 3.4875 3.4880 3.5260 3.5263 4.2563 4.2593 4.4864 4.4875 4.5135 4.5166 4.5944 4.5947 12.2219 12.2258 12.6448 12.6478 12.7022 12.7122 13.1663 13.1760 13.1983 13.2002 k =-0.3452 0.5594 0.4890 ( 4261 PWs) bands (ev): -13.1518 -13.1516 -13.1147 -13.1146 -10.3666 -10.3656 -10.0332 -10.0316 -9.2776 -9.2768 -9.0976 -9.0952 -2.0704 -2.0697 -1.9875 -1.9871 -1.8152 -1.8151 -1.7750 -1.7748 0.3941 0.3970 0.7704 0.7768 0.8396 0.8453 0.9760 0.9800 1.5792 1.5896 1.8639 1.8752 2.3305 2.3339 2.5363 2.5398 3.4936 3.4939 3.5241 3.5244 4.2885 4.2915 4.4822 4.4855 4.4963 4.4976 4.5775 4.5780 12.2611 12.2651 12.5885 12.5918 12.7592 12.7693 13.1114 13.1210 13.2126 13.2141 k =-0.3452 0.5594 0.5053 ( 4265 PWs) bands (ev): -13.1454 -13.1453 -13.1206 -13.1205 -10.3137 -10.3126 -10.0912 -10.0896 -9.2487 -9.2476 -9.1285 -9.1264 -2.0250 -2.0243 -1.9579 -1.9577 -1.8548 -1.8545 -1.8160 -1.8158 0.4712 0.4748 0.7690 0.7744 0.8123 0.8184 0.9486 0.9530 1.6217 1.6325 1.8121 1.8234 2.3655 2.3689 2.5045 2.5080 3.4998 3.4999 3.5209 3.5212 4.3211 4.3240 4.4508 4.4539 4.5072 4.5082 4.5615 4.5621 12.3061 12.3101 12.5289 12.5325 12.8176 12.8276 13.0542 13.0639 13.2363 13.2374 k =-0.3452 0.5594 0.5216 ( 4263 PWs) bands (ev): -13.1391 -13.1390 -13.1267 -13.1266 -10.2597 -10.2584 -10.1483 -10.1469 -9.2193 -9.2180 -9.1591 -9.1573 -1.9807 -1.9801 -1.9260 -1.9259 -1.8954 -1.8951 -1.8548 -1.8547 0.5476 0.5517 0.6968 0.7018 0.8507 0.8564 0.9187 0.9236 1.6664 1.6774 1.7617 1.7731 2.4009 2.4043 2.4710 2.4744 3.5058 3.5059 3.5166 3.5169 4.3537 4.3567 4.4187 4.4218 4.5192 4.5202 4.5464 4.5471 12.3564 12.3604 12.4690 12.4728 12.8768 12.8867 12.9957 13.0054 13.2667 13.2676 k =-0.3452 0.5594 0.5379 ( 4260 PWs) bands (ev): -13.1328 -13.1328 -13.1327 -13.1327 -10.2045 -10.2045 -10.2031 -10.2031 -9.1894 -9.1894 -9.1878 -9.1878 -1.9376 -1.9376 -1.9371 -1.9371 -1.8914 -1.8914 -1.8913 -1.8913 0.6229 0.6229 0.6275 0.6275 0.8861 0.8861 0.8914 0.8914 1.7131 1.7131 1.7244 1.7244 2.4363 2.4363 2.4397 2.4397 3.5115 3.5115 3.5117 3.5117 4.3863 4.3863 4.3894 4.3894 4.5323 4.5323 4.5331 4.5331 12.4110 12.4110 12.4150 12.4150 12.9364 12.9364 12.9462 12.9462 13.3021 13.3021 k =-0.3452 0.5594 0.5379 ( 4260 PWs) bands (ev): -13.1328 -13.1328 -13.1327 -13.1327 -10.2045 -10.2045 -10.2031 -10.2031 -9.1894 -9.1894 -9.1878 -9.1878 -1.9376 -1.9376 -1.9371 -1.9371 -1.8914 -1.8914 -1.8913 -1.8913 0.6229 0.6229 0.6275 0.6275 0.8861 0.8861 0.8914 0.8914 1.7131 1.7131 1.7244 1.7244 2.4363 2.4363 2.4397 2.4397 3.5115 3.5115 3.5117 3.5117 4.3863 4.3863 4.3894 4.3894 4.5323 4.5323 4.5331 4.5331 12.4110 12.4110 12.4150 12.4150 12.9364 12.9364 12.9462 12.9462 13.3021 13.3021 k =-0.3538 0.5455 0.5379 ( 4270 PWs) bands (ev): -13.1297 -13.1297 -13.1296 -13.1296 -10.2333 -10.2333 -10.2320 -10.2320 -9.1578 -9.1578 -9.1562 -9.1562 -1.9621 -1.9621 -1.9619 -1.9619 -1.8960 -1.8960 -1.8955 -1.8955 0.6376 0.6376 0.6422 0.6422 0.8939 0.8939 0.8988 0.8988 1.7195 1.7195 1.7305 1.7305 2.4479 2.4479 2.4512 2.4512 3.5024 3.5024 3.5024 3.5024 4.3572 4.3572 4.3603 4.3603 4.5623 4.5623 4.5631 4.5631 12.3656 12.3656 12.3695 12.3695 12.9354 12.9354 12.9448 12.9448 13.3317 13.3318 k =-0.3624 0.5316 0.5379 ( 4270 PWs) bands (ev): -13.1267 -13.1267 -13.1266 -13.1266 -10.2607 -10.2607 -10.2594 -10.2594 -9.1268 -9.1268 -9.1253 -9.1253 -2.0304 -2.0304 -2.0301 -2.0301 -1.8567 -1.8567 -1.8562 -1.8562 0.6507 0.6507 0.6552 0.6552 0.9014 0.9014 0.9061 0.9061 1.7264 1.7264 1.7371 1.7371 2.4605 2.4605 2.4636 2.4636 3.4924 3.4924 3.4925 3.4925 4.3297 4.3297 4.3327 4.3327 4.5928 4.5928 4.5936 4.5936 12.3192 12.3192 12.3230 12.3230 12.9339 12.9339 12.9428 12.9428 13.3635 13.3635 k =-0.3710 0.5176 0.5379 ( 4282 PWs) bands (ev): -13.1239 -13.1239 -13.1238 -13.1238 -10.2865 -10.2865 -10.2854 -10.2854 -9.0966 -9.0966 -9.0952 -9.0952 -2.0962 -2.0962 -2.0959 -2.0959 -1.8197 -1.8197 -1.8192 -1.8192 0.6623 0.6623 0.6667 0.6667 0.9088 0.9088 0.9131 0.9131 1.7337 1.7337 1.7441 1.7441 2.4739 2.4739 2.4768 2.4768 3.4817 3.4817 3.4819 3.4819 4.3037 4.3037 4.3067 4.3067 4.6234 4.6234 4.6242 4.6242 12.2729 12.2729 12.2766 12.2766 12.9324 12.9324 12.9408 12.9408 13.3963 13.3964 k =-0.3796 0.5037 0.5379 ( 4270 PWs) bands (ev): -13.1213 -13.1213 -13.1212 -13.1212 -10.3108 -10.3108 -10.3097 -10.3097 -9.0674 -9.0674 -9.0661 -9.0661 -2.1594 -2.1594 -2.1590 -2.1590 -1.7849 -1.7849 -1.7843 -1.7843 0.6725 0.6725 0.6768 0.6768 0.9159 0.9159 0.9200 0.9200 1.7413 1.7413 1.7513 1.7513 2.4879 2.4879 2.4907 2.4907 3.4703 3.4703 3.4706 3.4706 4.2794 4.2794 4.2824 4.2824 4.6541 4.6541 4.6548 4.6548 12.2275 12.2275 12.2310 12.2310 12.9315 12.9315 12.9393 12.9393 13.4294 13.4294 k =-0.3882 0.4897 0.5379 ( 4278 PWs) bands (ev): -13.1188 -13.1188 -13.1187 -13.1187 -10.3336 -10.3336 -10.3325 -10.3325 -9.0394 -9.0394 -9.0381 -9.0381 -2.2196 -2.2196 -2.2192 -2.2192 -1.7524 -1.7524 -1.7518 -1.7518 0.6815 0.6815 0.6856 0.6856 0.9228 0.9228 0.9265 0.9265 1.7491 1.7491 1.7586 1.7586 2.5023 2.5023 2.5049 2.5049 3.4584 3.4584 3.4588 3.4588 4.2568 4.2568 4.2597 4.2597 4.6843 4.6843 4.6851 4.6851 12.1835 12.1835 12.1868 12.1868 12.9314 12.9314 12.9388 12.9388 13.4621 13.4621 k =-0.3968 0.4758 0.5379 ( 4276 PWs) bands (ev): -13.1165 -13.1165 -13.1165 -13.1165 -10.3547 -10.3547 -10.3538 -10.3538 -9.0126 -9.0126 -9.0113 -9.0113 -2.2765 -2.2765 -2.2761 -2.2761 -1.7221 -1.7221 -1.7216 -1.7216 0.6893 0.6893 0.6932 0.6932 0.9294 0.9294 0.9328 0.9328 1.7567 1.7567 1.7657 1.7657 2.5169 2.5169 2.5194 2.5194 3.4462 3.4462 3.4466 3.4466 4.2360 4.2360 4.2388 4.2388 4.7140 4.7140 4.7147 4.7147 12.1414 12.1414 12.1444 12.1444 12.9327 12.9327 12.9396 12.9396 13.4938 13.4938 k =-0.4054 0.4618 0.5379 ( 4272 PWs) bands (ev): -13.1144 -13.1144 -13.1143 -13.1143 -10.3743 -10.3743 -10.3734 -10.3734 -8.9872 -8.9872 -8.9861 -8.9861 -2.3299 -2.3299 -2.3295 -2.3295 -1.6943 -1.6943 -1.6938 -1.6938 0.6961 0.6961 0.6997 0.6997 0.9356 0.9356 0.9387 0.9387 1.7642 1.7642 1.7726 1.7726 2.5316 2.5316 2.5339 2.5339 3.4337 3.4337 3.4341 3.4341 4.2169 4.2169 4.2196 4.2196 4.7428 4.7428 4.7434 4.7434 12.1016 12.1016 12.1044 12.1044 12.9356 12.9356 12.9419 12.9419 13.5242 13.5242 k =-0.4140 0.4479 0.5379 ( 4264 PWs) bands (ev): -13.1125 -13.1125 -13.1124 -13.1124 -10.3922 -10.3922 -10.3914 -10.3914 -8.9635 -8.9635 -8.9624 -8.9624 -2.3796 -2.3796 -2.3791 -2.3791 -1.6688 -1.6688 -1.6683 -1.6683 0.7019 0.7019 0.7053 0.7053 0.9415 0.9415 0.9443 0.9443 1.7714 1.7714 1.7792 1.7792 2.5461 2.5461 2.5482 2.5482 3.4212 3.4212 3.4216 3.4216 4.1996 4.1996 4.2021 4.2021 4.7703 4.7703 4.7709 4.7709 12.0644 12.0644 12.0670 12.0670 12.9401 12.9401 12.9459 12.9459 13.5527 13.5528 k =-0.4226 0.4340 0.5379 ( 4260 PWs) bands (ev): -13.1107 -13.1107 -13.1107 -13.1107 -10.4084 -10.4084 -10.4077 -10.4077 -8.9414 -8.9414 -8.9404 -8.9404 -2.4253 -2.4253 -2.4248 -2.4248 -1.6456 -1.6456 -1.6452 -1.6452 0.7070 0.7070 0.7101 0.7101 0.9469 0.9469 0.9495 0.9495 1.7782 1.7782 1.7853 1.7853 2.5602 2.5602 2.5621 2.5621 3.4088 3.4088 3.4092 3.4092 4.1841 4.1841 4.1864 4.1864 4.7963 4.7963 4.7968 4.7968 12.0301 12.0301 12.0324 12.0324 12.9463 12.9463 12.9516 12.9516 13.5793 13.5794 k =-0.4312 0.4200 0.5379 ( 4264 PWs) bands (ev): -13.1091 -13.1091 -13.1091 -13.1091 -10.4230 -10.4230 -10.4224 -10.4224 -8.9212 -8.9212 -8.9203 -8.9203 -2.4668 -2.4668 -2.4664 -2.4664 -1.6249 -1.6249 -1.6245 -1.6245 0.7113 0.7113 0.7141 0.7141 0.9519 0.9519 0.9542 0.9542 1.7845 1.7845 1.7909 1.7909 2.5738 2.5738 2.5755 2.5755 3.3967 3.3967 3.3971 3.3971 4.1703 4.1703 4.1724 4.1724 4.8205 4.8205 4.8210 4.8210 11.9988 11.9988 12.0010 12.0010 12.9541 12.9541 12.9589 12.9589 13.6036 13.6037 k =-0.4398 0.4061 0.5379 ( 4266 PWs) bands (ev): -13.1078 -13.1078 -13.1077 -13.1077 -10.4359 -10.4359 -10.4353 -10.4353 -8.9031 -8.9031 -8.9023 -8.9023 -2.5039 -2.5039 -2.5035 -2.5035 -1.6066 -1.6066 -1.6062 -1.6062 0.7149 0.7149 0.7174 0.7174 0.9564 0.9564 0.9584 0.9584 1.7902 1.7902 1.7959 1.7959 2.5864 2.5864 2.5880 2.5880 3.3853 3.3853 3.3857 3.3857 4.1583 4.1583 4.1602 4.1602 4.8425 4.8425 4.8430 4.8430 11.9709 11.9709 11.9728 11.9728 12.9632 12.9632 12.9675 12.9675 13.6254 13.6255 k =-0.4484 0.3921 0.5379 ( 4266 PWs) bands (ev): -13.1065 -13.1065 -13.1065 -13.1065 -10.4471 -10.4471 -10.4466 -10.4466 -8.8870 -8.8870 -8.8863 -8.8863 -2.5365 -2.5365 -2.5361 -2.5361 -1.5907 -1.5907 -1.5904 -1.5904 0.7180 0.7180 0.7202 0.7202 0.9604 0.9604 0.9621 0.9621 1.7953 1.7953 1.8002 1.8002 2.5981 2.5981 2.5994 2.5994 3.3747 3.3747 3.3750 3.3750 4.1480 4.1480 4.1496 4.1496 4.8623 4.8623 4.8627 4.8627 11.9465 11.9465 11.9481 11.9481 12.9733 12.9733 12.9770 12.9770 13.6446 13.6447 k =-0.4570 0.3782 0.5379 ( 4268 PWs) bands (ev): -13.1055 -13.1055 -13.1055 -13.1055 -10.4566 -10.4566 -10.4562 -10.4562 -8.8733 -8.8733 -8.8727 -8.8727 -2.5643 -2.5643 -2.5640 -2.5640 -1.5772 -1.5772 -1.5769 -1.5769 0.7206 0.7206 0.7224 0.7224 0.9639 0.9639 0.9653 0.9653 1.7998 1.7998 1.8039 1.8039 2.6084 2.6084 2.6096 2.6096 3.3652 3.3652 3.3655 3.3655 4.1393 4.1393 4.1407 4.1407 4.8794 4.8794 4.8797 4.8797 11.9256 11.9256 11.9269 11.9269 12.9838 12.9838 12.9869 12.9869 13.6610 13.6611 k =-0.4656 0.3643 0.5379 ( 4264 PWs) bands (ev): -13.1047 -13.1047 -13.1047 -13.1047 -10.4644 -10.4644 -10.4640 -10.4640 -8.8618 -8.8618 -8.8613 -8.8613 -2.5873 -2.5873 -2.5870 -2.5870 -1.5662 -1.5662 -1.5660 -1.5660 0.7226 0.7226 0.7241 0.7241 0.9668 0.9668 0.9679 0.9679 1.8036 1.8036 1.8069 1.8069 2.6173 2.6173 2.6182 2.6182 3.3571 3.3571 3.3573 3.3573 4.1323 4.1323 4.1334 4.1334 4.8937 4.8937 4.8940 4.8940 11.9084 11.9084 11.9094 11.9094 12.9940 12.9940 12.9966 12.9966 13.6746 13.6746 k =-0.4742 0.3503 0.5379 ( 4264 PWs) bands (ev): -13.1040 -13.1040 -13.1040 -13.1040 -10.4704 -10.4704 -10.4702 -10.4702 -8.8528 -8.8528 -8.8525 -8.8525 -2.6053 -2.6053 -2.6051 -2.6051 -1.5576 -1.5576 -1.5574 -1.5574 0.7242 0.7242 0.7253 0.7253 0.9691 0.9691 0.9700 0.9700 1.8066 1.8066 1.8091 1.8091 2.6245 2.6245 2.6252 2.6252 3.3505 3.3505 3.3506 3.3506 4.1269 4.1269 4.1278 4.1278 4.9051 4.9051 4.9053 4.9053 11.8949 11.8949 11.8957 11.8957 13.0032 13.0032 13.0052 13.0052 13.6852 13.6853 k =-0.4828 0.3364 0.5379 ( 4264 PWs) bands (ev): -13.1036 -13.1036 -13.1036 -13.1036 -10.4747 -10.4747 -10.4746 -10.4746 -8.8463 -8.8463 -8.8461 -8.8461 -2.6182 -2.6182 -2.6180 -2.6180 -1.5514 -1.5514 -1.5513 -1.5513 0.7254 0.7254 0.7261 0.7261 0.9708 0.9708 0.9714 0.9714 1.8089 1.8089 1.8106 1.8106 2.6297 2.6297 2.6302 2.6302 3.3456 3.3456 3.3457 3.3457 4.1231 4.1231 4.1237 4.1237 4.9133 4.9133 4.9134 4.9134 11.8853 11.8853 11.8858 11.8858 13.0106 13.0106 13.0119 13.0119 13.6929 13.6929 k =-0.4914 0.3224 0.5379 ( 4264 PWs) bands (ev): -13.1033 -13.1033 -13.1033 -13.1033 -10.4773 -10.4773 -10.4772 -10.4772 -8.8424 -8.8424 -8.8423 -8.8423 -2.6259 -2.6259 -2.6259 -2.6259 -1.5477 -1.5477 -1.5477 -1.5477 0.7262 0.7262 0.7265 0.7265 0.9719 0.9719 0.9722 0.9722 1.8105 1.8105 1.8113 1.8113 2.6330 2.6330 2.6332 2.6332 3.3426 3.3426 3.3427 3.3427 4.1209 4.1209 4.1212 4.1212 4.9183 4.9183 4.9184 4.9184 11.8796 11.8796 11.8798 11.8798 13.0155 13.0155 13.0162 13.0162 13.6975 13.6975 k =-0.5000 0.3085 0.5379 ( 4256 PWs) bands (ev): -13.1032 -13.1032 -13.1032 -13.1032 -10.4781 -10.4781 -10.4781 -10.4781 -8.8410 -8.8410 -8.8410 -8.8410 -2.6285 -2.6285 -2.6285 -2.6285 -1.5465 -1.5465 -1.5465 -1.5465 0.7266 0.7266 0.7266 0.7266 0.9724 0.9724 0.9724 0.9724 1.8113 1.8113 1.8113 1.8113 2.6342 2.6342 2.6342 2.6342 3.3417 3.3417 3.3417 3.3417 4.1203 4.1203 4.1203 4.1203 4.9200 4.9200 4.9200 4.9200 11.8778 11.8778 11.8778 11.8778 13.0174 13.0174 13.0174 13.0174 13.6990 13.6990 k =-0.5000 0.3085 0.5379 ( 4256 PWs) bands (ev): -13.1032 -13.1032 -13.1032 -13.1032 -10.4781 -10.4781 -10.4781 -10.4781 -8.8410 -8.8410 -8.8410 -8.8410 -2.6285 -2.6285 -2.6285 -2.6285 -1.5465 -1.5465 -1.5465 -1.5465 0.7266 0.7266 0.7266 0.7266 0.9724 0.9724 0.9724 0.9724 1.8113 1.8113 1.8113 1.8113 2.6342 2.6342 2.6342 2.6342 3.3417 3.3417 3.3417 3.3417 4.1203 4.1203 4.1203 4.1203 4.9200 4.9200 4.9200 4.9200 11.8778 11.8778 11.8778 11.8778 13.0174 13.0174 13.0174 13.0174 13.6990 13.6990 k =-0.5000 0.3085 0.5216 ( 4264 PWs) bands (ev): -13.1083 -13.1083 -13.0981 -13.0981 -10.5358 -10.5358 -10.4193 -10.4193 -8.8481 -8.8481 -8.8341 -8.8341 -2.6349 -2.6349 -2.6190 -2.6190 -1.5918 -1.5918 -1.5040 -1.5040 0.6348 0.6348 0.8190 0.8190 0.9652 0.9652 0.9774 0.9774 1.7818 1.7818 1.8428 1.8428 2.6322 2.6322 2.6339 2.6339 3.3311 3.3311 3.3500 3.3500 4.0904 4.0904 4.1507 4.1507 4.9198 4.9198 4.9211 4.9211 11.8813 11.8813 11.8821 11.8821 13.0085 13.0085 13.0232 13.0232 13.6551 13.6551 k =-0.5000 0.3085 0.5053 ( 4260 PWs) bands (ev): -13.1135 -13.1135 -13.0931 -13.0931 -10.5923 -10.5923 -10.3595 -10.3595 -8.8553 -8.8553 -8.8274 -8.8274 -2.6381 -2.6381 -2.6064 -2.6064 -1.6401 -1.6401 -1.4644 -1.4644 0.5447 0.5447 0.9109 0.9109 0.9558 0.9558 0.9804 0.9804 1.7552 1.7552 1.8759 1.8759 2.6280 2.6280 2.6313 2.6313 3.3179 3.3179 3.3563 3.3563 4.0615 4.0615 4.1815 4.1815 4.9206 4.9206 4.9231 4.9231 11.8930 11.8930 11.8941 11.8941 12.9969 12.9969 13.0253 13.0253 13.6108 13.6108 k =-0.5000 0.3085 0.4890 ( 4264 PWs) bands (ev): -13.1188 -13.1188 -13.0882 -13.0882 -10.6475 -10.6475 -10.2986 -10.2986 -8.8627 -8.8627 -8.8209 -8.8209 -2.6381 -2.6381 -2.5907 -2.5907 -1.6915 -1.6915 -1.4273 -1.4273 0.4567 0.4567 0.9439 0.9439 0.9814 0.9814 1.0011 1.0011 1.7327 1.7327 1.9102 1.9102 2.6214 2.6214 2.6268 2.6268 3.3019 3.3019 3.3610 3.3610 4.0337 4.0337 4.2122 4.2122 4.9224 4.9224 4.9260 4.9260 11.9127 11.9127 11.9136 11.9136 12.9834 12.9834 13.0231 13.0231 13.5667 13.5667 k =-0.5000 0.3085 0.4727 ( 4252 PWs) bands (ev): -13.1240 -13.1240 -13.0833 -13.0833 -10.7013 -10.7013 -10.2369 -10.2369 -8.8701 -8.8701 -8.8146 -8.8146 -2.6350 -2.6350 -2.5719 -2.5719 -1.7461 -1.7461 -1.3926 -1.3926 0.3715 0.3715 0.9295 0.9295 0.9805 0.9805 1.0869 1.0869 1.7161 1.7161 1.9453 1.9453 2.6126 2.6126 2.6203 2.6203 3.2831 3.2831 3.3645 3.3645 4.0073 4.0073 4.2425 4.2425 4.9253 4.9253 4.9295 4.9295 11.9392 11.9392 11.9413 11.9413 12.9683 12.9683 13.0163 13.0163 13.5233 13.5233 k =-0.5000 0.3085 0.4564 ( 4256 PWs) bands (ev): -13.1293 -13.1293 -13.0786 -13.0786 -10.7538 -10.7538 -10.1744 -10.1744 -8.8776 -8.8776 -8.8085 -8.8085 -2.6288 -2.6288 -2.5502 -2.5502 -1.8038 -1.8038 -1.3603 -1.3603 0.2894 0.2894 0.9123 0.9123 0.9777 0.9777 1.1652 1.1652 1.7084 1.7084 1.9811 1.9811 2.6015 2.6015 2.6121 2.6121 3.2615 3.2615 3.3670 3.3670 3.9823 3.9823 4.2723 4.2723 4.9293 4.9293 4.9338 4.9338 11.9715 11.9715 11.9776 11.9776 12.9523 12.9523 13.0049 13.0049 13.4813 13.4813 k =-0.5000 0.3085 0.4401 ( 4266 PWs) bands (ev): -13.1346 -13.1346 -13.0740 -13.0740 -10.8048 -10.8048 -10.1113 -10.1113 -8.8852 -8.8852 -8.8027 -8.8027 -2.6194 -2.6194 -2.5255 -2.5255 -1.8647 -1.8647 -1.3302 -1.3302 0.2109 0.2109 0.8921 0.8921 0.9729 0.9729 1.2312 1.2312 1.7138 1.7138 2.0174 2.0174 2.5882 2.5882 2.6025 2.6025 3.2373 3.2373 3.3690 3.3690 3.9587 3.9587 4.3012 4.3012 4.9344 4.9344 4.9388 4.9388 12.0093 12.0093 12.0220 12.0220 12.9357 12.9357 12.9887 12.9887 13.4413 13.4413 k =-0.5000 0.3085 0.4238 ( 4270 PWs) bands (ev): -13.1398 -13.1398 -13.0695 -13.0695 -10.8543 -10.8543 -10.0476 -10.0476 -8.8928 -8.8928 -8.7971 -8.7971 -2.6069 -2.6069 -2.4980 -2.4980 -1.9286 -1.9286 -1.3021 -1.3021 0.1361 0.1361 0.8687 0.8687 0.9662 0.9662 1.2801 1.2801 1.7370 1.7370 2.0540 2.0540 2.5728 2.5728 2.5919 2.5919 3.2109 3.2109 3.3705 3.3705 3.9367 3.9367 4.3290 4.3290 4.9407 4.9407 4.9443 4.9443 12.0518 12.0518 12.0743 12.0743 12.9190 12.9190 12.9683 12.9683 13.4041 13.4041 k =-0.5000 0.3085 0.4075 ( 4278 PWs) bands (ev): -13.1450 -13.1450 -13.0651 -13.0651 -10.9023 -10.9023 -9.9834 -9.9834 -8.9005 -8.9005 -8.7917 -8.7917 -2.5913 -2.5913 -2.4678 -2.4678 -1.9954 -1.9954 -1.2758 -1.2758 0.0653 0.0653 0.8421 0.8421 0.9574 0.9574 1.3093 1.3093 1.7802 1.7802 2.0906 2.0906 2.5553 2.5553 2.5806 2.5806 3.1827 3.1827 3.3718 3.3718 3.9159 3.9159 4.3556 4.3556 4.9482 4.9482 4.9504 4.9504 12.0980 12.0980 12.1343 12.1343 12.9025 12.9025 12.9440 12.9440 13.3707 13.3707 k =-0.5000 0.3085 0.3912 ( 4272 PWs) bands (ev): -13.1502 -13.1502 -13.0609 -13.0609 -10.9486 -10.9486 -9.9190 -9.9190 -8.9081 -8.9081 -8.7866 -8.7866 -2.5727 -2.5727 -2.4348 -2.4348 -2.0650 -2.0650 -1.2514 -1.2514 -0.0014 -0.0014 0.8119 0.8119 0.9464 0.9464 1.3209 1.3209 1.8409 1.8409 2.1273 2.1273 2.5359 2.5359 2.5690 2.5690 3.1532 3.1532 3.3730 3.3730 3.8964 3.8964 4.3808 4.3808 4.9563 4.9563 4.9575 4.9575 12.1466 12.1466 12.2016 12.2016 12.8865 12.8865 12.9165 12.9165 13.3419 13.3419 k =-0.5000 0.3085 0.3749 ( 4270 PWs) bands (ev): -13.1553 -13.1553 -13.0568 -13.0568 -10.9934 -10.9934 -9.8544 -9.8544 -8.9156 -8.9156 -8.7818 -8.7818 -2.5511 -2.5511 -2.3992 -2.3992 -2.1369 -2.1369 -1.2286 -1.2286 -0.0640 -0.0640 0.7782 0.7782 0.9331 0.9331 1.3199 1.3199 1.9137 1.9137 2.1638 2.1638 2.5146 2.5146 2.5576 2.5576 3.1229 3.1229 3.3742 3.3742 3.8779 3.8779 4.4045 4.4045 4.9635 4.9635 4.9672 4.9672 12.1964 12.1964 12.2758 12.2758 12.8711 12.8711 12.8867 12.8867 13.3190 13.3190 k =-0.5000 0.3085 0.3586 ( 4270 PWs) bands (ev): -13.1603 -13.1603 -13.0529 -13.0529 -11.0365 -11.0365 -9.7898 -9.7898 -8.9231 -8.9231 -8.7773 -8.7773 -2.5266 -2.5266 -2.3612 -2.3612 -2.2110 -2.2110 -1.2075 -1.2075 -0.1225 -0.1225 0.7408 0.7408 0.9173 0.9173 1.3109 1.3109 1.9936 1.9936 2.2001 2.2001 2.4918 2.4918 2.5465 2.5465 3.0924 3.0924 3.3753 3.3753 3.8602 3.8602 4.4267 4.4267 4.9707 4.9707 4.9784 4.9784 12.2456 12.2456 12.3566 12.3566 12.8530 12.8530 12.8588 12.8588 13.3033 13.3033 k =-0.5000 0.3085 0.3423 ( 4274 PWs) bands (ev): -13.1653 -13.1653 -13.0491 -13.0491 -11.0778 -11.0778 -9.7254 -9.7254 -8.9305 -8.9305 -8.7730 -8.7730 -2.4993 -2.4993 -2.3208 -2.3208 -2.2867 -2.2867 -1.1877 -1.1877 -0.1770 -0.1770 0.6997 0.6997 0.8990 0.8990 1.2972 1.2972 2.0769 2.0769 2.2360 2.2360 2.4676 2.4676 2.5363 2.5363 3.0623 3.0623 3.3766 3.3766 3.8433 3.8433 4.4472 4.4472 4.9782 4.9782 4.9908 4.9908 12.2925 12.2925 12.4434 12.4434 12.8210 12.8210 12.8449 12.8449 13.2961 13.2961 k =-0.5000 0.3085 0.3260 ( 4266 PWs) bands (ev): -13.1701 -13.1701 -13.0455 -13.0455 -11.1175 -11.1175 -9.6614 -9.6614 -8.9377 -8.9377 -8.7689 -8.7689 -2.4693 -2.4693 -2.3638 -2.3638 -2.2782 -2.2782 -1.1694 -1.1694 -0.2275 -0.2275 0.6550 0.6550 0.8780 0.8780 1.2810 1.2810 2.1614 2.1614 2.2713 2.2713 2.4423 2.4423 2.5271 2.5271 3.0328 3.0328 3.3778 3.3778 3.8269 3.8269 4.4661 4.4661 4.9858 4.9858 5.0044 5.0044 12.3354 12.3354 12.5358 12.5358 12.7875 12.7875 12.8334 12.8334 13.2987 13.2987 k =-0.5000 0.3085 0.3097 ( 4270 PWs) bands (ev): -13.1748 -13.1748 -13.0421 -13.0421 -11.1553 -11.1553 -9.5979 -9.5979 -8.9448 -8.9448 -8.7651 -8.7651 -2.4419 -2.4419 -2.4365 -2.4365 -2.2335 -2.2335 -1.1524 -1.1524 -0.2744 -0.2744 0.6068 0.6068 0.8541 0.8541 1.2633 1.2633 2.2451 2.2451 2.3062 2.3062 2.4163 2.4163 2.5192 2.5192 3.0044 3.0044 3.3790 3.3790 3.8111 3.8111 4.4834 4.4834 4.9936 4.9936 5.0191 5.0191 12.3727 12.3727 12.6330 12.6330 12.7537 12.7537 12.8237 12.8237 13.3124 13.3124 k =-0.5000 0.3085 0.2934 ( 4270 PWs) bands (ev): -13.1793 -13.1793 -13.0388 -13.0388 -11.1914 -11.1914 -9.5352 -9.5352 -8.9517 -8.9517 -8.7616 -8.7616 -2.5199 -2.5199 -2.4016 -2.4016 -2.1870 -2.1870 -1.1367 -1.1367 -0.3175 -0.3175 0.5553 0.5553 0.8274 0.8274 1.2451 1.2451 2.3253 2.3253 2.3423 2.3423 2.3900 2.3900 2.5127 2.5127 2.9773 2.9773 3.3802 3.3802 3.7958 3.7958 4.4990 4.4990 5.0014 5.0014 5.0349 5.0349 12.4032 12.4032 12.7198 12.7198 12.7349 12.7349 12.8159 12.8159 13.3376 13.3376 k =-0.5000 0.3085 0.2771 ( 4274 PWs) bands (ev): -13.1837 -13.1837 -13.0357 -13.0357 -11.2257 -11.2257 -9.4734 -9.4734 -8.9584 -8.9584 -8.7583 -8.7583 -2.5979 -2.5979 -2.3643 -2.3643 -2.1387 -2.1387 -1.1221 -1.1221 -0.3573 -0.3573 0.5008 0.5008 0.7976 0.7976 1.2269 1.2269 2.3632 2.3632 2.3715 2.3715 2.4097 2.4097 2.5078 2.5078 2.9517 2.9517 3.3812 3.3812 3.7808 3.7808 4.5130 4.5130 5.0092 5.0092 5.0517 5.0517 12.4264 12.4264 12.6874 12.6874 12.8098 12.8098 12.8397 12.8397 13.3744 13.3744 k =-0.5000 0.3085 0.2608 ( 4270 PWs) bands (ev): -13.1880 -13.1880 -13.0328 -13.0328 -11.2581 -11.2581 -9.4129 -9.4129 -8.9649 -8.9649 -8.7553 -8.7553 -2.6753 -2.6753 -2.3247 -2.3247 -2.0890 -2.0890 -1.1086 -1.1086 -0.3938 -0.3938 0.4435 0.4435 0.7650 0.7650 1.2089 1.2089 2.3378 2.3378 2.4035 2.4035 2.4862 2.4862 2.5044 2.5044 2.9277 2.9277 3.3822 3.3822 3.7663 3.7663 4.5255 4.5255 5.0170 5.0170 5.0694 5.0694 12.4427 12.4427 12.6555 12.6555 12.8061 12.8061 12.9471 12.9471 13.4217 13.4217 k =-0.5000 0.3085 0.2445 ( 4266 PWs) bands (ev): -13.1920 -13.1920 -13.0300 -13.0300 -11.2886 -11.2886 -9.3539 -9.3539 -8.9711 -8.9711 -8.7525 -8.7525 -2.7515 -2.7515 -2.2832 -2.2832 -2.0381 -2.0381 -1.0962 -1.0962 -0.4272 -0.4272 0.3839 0.3839 0.7295 0.7295 1.1915 1.1915 2.3130 2.3130 2.4343 2.4343 2.5025 2.5025 2.5598 2.5598 2.9053 2.9053 3.3830 3.3830 3.7523 3.7523 4.5365 4.5365 5.0246 5.0246 5.0877 5.0877 12.4528 12.4528 12.6249 12.6249 12.8045 12.8045 13.0562 13.0562 13.4781 13.4781 k =-0.5000 0.3085 0.2282 ( 4264 PWs) bands (ev): -13.1959 -13.1959 -13.0274 -13.0274 -11.3173 -11.3173 -9.2967 -9.2967 -8.9770 -8.9770 -8.7499 -8.7499 -2.8259 -2.8259 -2.2400 -2.2400 -1.9862 -1.9862 -1.0849 -1.0849 -0.4576 -0.4576 0.3224 0.3224 0.6913 0.6913 1.1749 1.1749 2.2893 2.2893 2.4636 2.4636 2.5021 2.5021 2.6296 2.6296 2.8846 2.8846 3.3836 3.3836 3.7387 3.7387 4.5462 4.5462 5.0321 5.0321 5.1066 5.1066 12.4579 12.4579 12.5958 12.5958 12.8052 12.8052 13.1656 13.1656 13.5415 13.5415 k =-0.5000 0.3085 0.2119 ( 4264 PWs) bands (ev): -13.1995 -13.1995 -13.0250 -13.0250 -11.3441 -11.3441 -9.2414 -9.2414 -8.9826 -8.9826 -8.7476 -8.7476 -2.8981 -2.8981 -2.1954 -2.1954 -1.9337 -1.9337 -1.0745 -1.0745 -0.4854 -0.4854 0.2595 0.2595 0.6508 0.6508 1.1591 1.1591 2.2671 2.2671 2.4913 2.4913 2.5031 2.5031 2.6952 2.6952 2.8654 2.8654 3.3840 3.3840 3.7257 3.7257 4.5546 4.5546 5.0393 5.0393 5.1259 5.1259 12.4593 12.4593 12.5681 12.5681 12.8082 12.8082 13.2738 13.2738 13.5501 13.5501 k =-0.5000 0.3085 0.1956 ( 4262 PWs) bands (ev): -13.2030 -13.2030 -13.0228 -13.0228 -11.3689 -11.3689 -9.1886 -9.1886 -8.9879 -8.9879 -8.7454 -8.7454 -2.9676 -2.9676 -2.1497 -2.1497 -1.8810 -1.8810 -1.0650 -1.0650 -0.5105 -0.5105 0.1958 0.1958 0.6084 0.6084 1.1442 1.1442 2.2467 2.2467 2.5045 2.5045 2.5183 2.5183 2.7566 2.7566 2.8479 2.8479 3.3842 3.3842 3.7132 3.7132 4.5617 4.5617 5.0462 5.0462 5.1453 5.1453 12.4579 12.4579 12.5423 12.5423 12.8135 12.8135 13.3788 13.3788 13.5255 13.5255 k =-0.5000 0.3085 0.1793 ( 4268 PWs) bands (ev): -13.2062 -13.2062 -13.0208 -13.0208 -11.3918 -11.3918 -9.1383 -9.1383 -8.9928 -8.9928 -8.7435 -8.7435 -3.0338 -3.0338 -2.1032 -2.1032 -1.8285 -1.8285 -1.0564 -1.0564 -0.5331 -0.5331 0.1318 0.1318 0.5644 0.5644 1.1303 1.1303 2.2281 2.2281 2.5075 2.5075 2.5429 2.5429 2.8131 2.8131 2.8320 2.8320 3.3842 3.3842 3.7015 3.7015 4.5678 4.5678 5.0527 5.0527 5.1646 5.1646 12.4547 12.4547 12.5182 12.5182 12.8212 12.8212 13.4782 13.4782 13.5008 13.5008 k =-0.5000 0.3085 0.1630 ( 4252 PWs) bands (ev): -13.2091 -13.2091 -13.0189 -13.0189 -11.4128 -11.4128 -9.0910 -9.0910 -8.9974 -8.9974 -8.7418 -8.7418 -3.0962 -3.0962 -2.0565 -2.0565 -1.7766 -1.7766 -1.0487 -1.0487 -0.5534 -0.5534 0.0682 0.0682 0.5195 0.5195 1.1176 1.1176 2.2114 2.2114 2.5112 2.5112 2.5659 2.5659 2.8172 2.8172 2.8654 2.8654 3.3840 3.3840 3.6904 3.6904 4.5728 4.5728 5.0589 5.0589 5.1835 5.1835 12.4506 12.4506 12.4961 12.4961 12.8312 12.8312 13.4762 13.4762 13.5693 13.5693 k =-0.5000 0.3085 0.1467 ( 4256 PWs) bands (ev): -13.2118 -13.2118 -13.0172 -13.0172 -11.4318 -11.4318 -9.0470 -9.0470 -9.0016 -9.0016 -8.7402 -8.7402 -3.1544 -3.1544 -2.0100 -2.0100 -1.7259 -1.7259 -1.0418 -1.0418 -0.5715 -0.5715 0.0059 0.0059 0.4745 0.4745 1.1059 1.1059 2.1966 2.1966 2.5153 2.5153 2.5870 2.5870 2.8042 2.8042 2.9126 2.9126 3.3836 3.3836 3.6801 3.6801 4.5770 4.5770 5.0646 5.0646 5.2018 5.2018 12.4458 12.4458 12.4760 12.4760 12.8433 12.8433 13.4526 13.4526 13.6486 13.6486 k =-0.5000 0.3085 0.1304 ( 4240 PWs) bands (ev): -13.2143 -13.2143 -13.0157 -13.0157 -11.4489 -11.4489 -9.0069 -9.0069 -9.0049 -9.0049 -8.7389 -8.7389 -3.2079 -3.2079 -1.9644 -1.9644 -1.6771 -1.6771 -1.0357 -1.0357 -0.5874 -0.5874 -0.0545 -0.0545 0.4301 0.4301 1.0954 1.0954 2.1838 2.1838 2.5198 2.5198 2.6062 2.6062 2.7926 2.7926 2.9549 2.9549 3.3831 3.3831 3.6707 3.6707 4.5804 4.5804 5.0699 5.0699 5.2191 5.2191 12.4410 12.4410 12.4580 12.4580 12.8573 12.8573 13.4301 13.4301 13.7138 13.7138 k =-0.5000 0.3085 0.1141 ( 4232 PWs) bands (ev): -13.2165 -13.2165 -13.0144 -13.0144 -11.4639 -11.4639 -9.0088 -9.0088 -8.9699 -8.9699 -8.7377 -8.7377 -3.2563 -3.2563 -1.9204 -1.9204 -1.6309 -1.6309 -1.0304 -1.0304 -0.6013 -0.6013 -0.1120 -0.1120 0.3872 0.3872 1.0861 1.0861 2.1728 2.1728 2.5244 2.5244 2.6233 2.6233 2.7823 2.7823 2.9922 2.9922 3.3825 3.3825 3.6623 3.6623 4.5832 4.5832 5.0746 5.0746 5.2353 5.2353 12.4359 12.4359 12.4424 12.4424 12.8729 12.8729 13.4093 13.4093 13.7639 13.7639 k =-0.5000 0.3085 0.0978 ( 4228 PWs) bands (ev): -13.2184 -13.2184 -13.0132 -13.0132 -11.4770 -11.4770 -9.0117 -9.0117 -8.9375 -8.9375 -8.7367 -8.7367 -3.2991 -3.2991 -1.8789 -1.8789 -1.5882 -1.5882 -1.0258 -1.0258 -0.6131 -0.6131 -0.1655 -0.1655 0.3469 0.3469 1.0780 1.0780 2.1635 2.1635 2.5288 2.5288 2.6384 2.6384 2.7734 2.7734 3.0245 3.0245 3.3818 3.3818 3.6548 3.6548 4.5853 4.5853 5.0787 5.0787 5.2499 5.2499 12.4270 12.4270 12.4332 12.4332 12.8897 12.8897 13.3904 13.3904 13.7395 13.7395 k =-0.5000 0.3085 0.0815 ( 4234 PWs) bands (ev): -13.2200 -13.2200 -13.0122 -13.0122 -11.4880 -11.4880 -9.0142 -9.0142 -8.9096 -8.9096 -8.7358 -8.7358 -3.3361 -3.3361 -1.8410 -1.8410 -1.5497 -1.5497 -1.0220 -1.0220 -0.6231 -0.6231 -0.2139 -0.2139 0.3102 0.3102 1.0711 1.0711 2.1559 2.1559 2.5329 2.5329 2.6512 2.6512 2.7659 2.7659 3.0519 3.0519 3.3811 3.3811 3.6484 3.6484 4.5870 4.5870 5.0823 5.0823 5.2628 5.2628 12.4156 12.4156 12.4291 12.4291 12.9069 12.9069 13.3738 13.3738 13.6899 13.6899 k =-0.5000 0.3085 0.0652 ( 4228 PWs) bands (ev): -13.2213 -13.2213 -13.0114 -13.0114 -11.4971 -11.4971 -9.0163 -9.0163 -8.8863 -8.8863 -8.7352 -8.7352 -3.3668 -3.3668 -1.8076 -1.8076 -1.5164 -1.5164 -1.0189 -1.0189 -0.6312 -0.6312 -0.2559 -0.2559 0.2781 0.2781 1.0654 1.0654 2.1498 2.1498 2.5365 2.5365 2.6618 2.6618 2.7598 2.7598 3.0742 3.0742 3.3805 3.3805 3.6430 3.6430 4.5882 4.5882 5.0853 5.0853 5.2737 5.2737 12.4061 12.4061 12.4259 12.4259 12.9237 12.9237 13.3598 13.3598 13.6460 13.6460 k =-0.5000 0.3085 0.0489 ( 4222 PWs) bands (ev): -13.2224 -13.2224 -13.0108 -13.0108 -11.5042 -11.5042 -9.0179 -9.0179 -8.8680 -8.8680 -8.7346 -8.7346 -3.3909 -3.3909 -1.7799 -1.7799 -1.4893 -1.4893 -1.0165 -1.0165 -0.6374 -0.6374 -0.2904 -0.2904 0.2517 0.2517 1.0610 1.0610 2.1452 2.1452 2.5395 2.5395 2.6701 2.6701 2.7551 2.7551 3.0916 3.0916 3.3799 3.3799 3.6389 3.6389 4.5891 4.5891 5.0876 5.0876 5.2824 5.2824 12.3986 12.3986 12.4235 12.4235 12.9390 12.9390 13.3487 13.3487 13.6095 13.6095 k =-0.5000 0.3085 0.0326 ( 4216 PWs) bands (ev): -13.2231 -13.2231 -13.0104 -13.0104 -11.5092 -11.5092 -9.0191 -9.0191 -8.8548 -8.8548 -8.7343 -8.7343 -3.4083 -3.4083 -1.7592 -1.7592 -1.4692 -1.4692 -1.0148 -1.0148 -0.6418 -0.6418 -0.3161 -0.3161 0.2321 0.2321 1.0579 1.0579 2.1420 2.1420 2.5417 2.5417 2.6760 2.6760 2.7517 2.7517 3.1039 3.1039 3.3795 3.3795 3.6358 3.6358 4.5897 4.5897 5.0892 5.0892 5.2888 5.2888 12.3932 12.3932 12.4217 12.4217 12.9513 12.9513 13.3406 13.3406 13.5817 13.5817 k =-0.5000 0.3085 0.0163 ( 4224 PWs) bands (ev): -13.2236 -13.2236 -13.0101 -13.0101 -11.5122 -11.5122 -9.0198 -9.0198 -8.8469 -8.8469 -8.7340 -8.7340 -3.4189 -3.4189 -1.7463 -1.7463 -1.4568 -1.4568 -1.0137 -1.0137 -0.6445 -0.6445 -0.3320 -0.3320 0.2200 0.2200 1.0560 1.0560 2.1401 2.1401 2.5431 2.5431 2.6796 2.6796 2.7496 2.7496 3.1114 3.1114 3.3792 3.3792 3.6340 3.6340 4.5900 4.5900 5.0902 5.0902 5.2926 5.2926 12.3900 12.3900 12.4207 12.4207 12.9595 12.9595 13.3357 13.3357 13.5643 13.5643 k =-0.5000 0.3085-0.0000 ( 4226 PWs) bands (ev): -13.2237 -13.2237 -13.0100 -13.0100 -11.5132 -11.5132 -9.0200 -9.0200 -8.8442 -8.8442 -8.7340 -8.7340 -3.4224 -3.4224 -1.7419 -1.7419 -1.4527 -1.4527 -1.0134 -1.0134 -0.6454 -0.6454 -0.3374 -0.3374 0.2159 0.2159 1.0554 1.0554 2.1395 2.1395 2.5436 2.5436 2.6808 2.6808 2.7489 2.7489 3.1138 3.1138 3.3791 3.3791 3.6334 3.6334 4.5901 4.5901 5.0906 5.0906 5.2939 5.2939 12.3890 12.3890 12.4203 12.4203 12.9623 12.9623 13.3340 13.3340 13.5583 13.5583 k = 0.0000 0.0000 0.5379 ( 4228 PWs) bands (ev): -13.2681 -13.2681 -13.2681 -13.2681 -10.0296 -10.0296 -10.0296 -10.0296 -8.8312 -8.8312 -8.8312 -8.8312 -3.9068 -3.9068 -3.9068 -3.9068 -0.3359 -0.3359 -0.3359 -0.3359 -0.0307 -0.0307 -0.0307 -0.0307 0.8099 0.8099 0.8099 0.8099 2.0360 2.0360 2.0360 2.0360 2.7557 2.7557 2.7557 2.7557 3.8067 3.8067 3.8067 3.8067 4.1707 4.1707 4.1707 4.1707 5.4195 5.4195 5.4195 5.4195 11.6273 11.6273 11.6273 11.6273 12.3434 12.3434 12.3434 12.3434 13.1161 13.1161 k =-0.0139 0.0086 0.5379 ( 4238 PWs) bands (ev): -13.2678 -13.2678 -13.2678 -13.2678 -10.0305 -10.0305 -10.0305 -10.0305 -8.8312 -8.8312 -8.8311 -8.8311 -3.9052 -3.9052 -3.9049 -3.9049 -0.3396 -0.3396 -0.3392 -0.3392 -0.0278 -0.0278 -0.0273 -0.0273 0.8110 0.8110 0.8112 0.8112 2.0336 2.0336 2.0339 2.0339 2.7571 2.7571 2.7574 2.7574 3.8059 3.8059 3.8061 3.8061 4.1690 4.1690 4.1692 4.1692 5.4192 5.4192 5.4193 5.4193 11.6272 11.6272 11.6274 11.6274 12.3454 12.3454 12.3461 12.3461 13.1165 13.1165 k =-0.0278 0.0171 0.5379 ( 4240 PWs) bands (ev): -13.2670 -13.2670 -13.2669 -13.2669 -10.0333 -10.0333 -10.0332 -10.0332 -8.8312 -8.8312 -8.8310 -8.8310 -3.9002 -3.9002 -3.8996 -3.8996 -0.3500 -0.3500 -0.3493 -0.3493 -0.0192 -0.0192 -0.0182 -0.0182 0.8144 0.8144 0.8147 0.8147 2.0270 2.0270 2.0275 2.0275 2.7617 2.7617 2.7623 2.7623 3.8038 3.8038 3.8042 3.8042 4.1641 4.1641 4.1645 4.1645 5.4184 5.4184 5.4185 5.4185 11.6270 11.6270 11.6275 11.6275 12.3522 12.3522 12.3534 12.3534 13.1178 13.1178 k =-0.0417 0.0257 0.5379 ( 4244 PWs) bands (ev): -13.2656 -13.2656 -13.2655 -13.2655 -10.0378 -10.0378 -10.0376 -10.0376 -8.8311 -8.8311 -8.8308 -8.8308 -3.8918 -3.8918 -3.8910 -3.8910 -0.3662 -0.3662 -0.3652 -0.3652 -0.0056 -0.0056 -0.0043 -0.0043 0.8201 0.8201 0.8206 0.8206 2.0162 2.0162 2.0170 2.0170 2.7692 2.7692 2.7701 2.7701 3.8002 3.8002 3.8009 3.8009 4.1562 4.1562 4.1569 4.1569 5.4170 5.4170 5.4172 5.4172 11.6269 11.6269 11.6277 11.6277 12.3635 12.3635 12.3654 12.3654 13.1200 13.1200 k =-0.0556 0.0343 0.5379 ( 4248 PWs) bands (ev): -13.2636 -13.2636 -13.2635 -13.2635 -10.0440 -10.0440 -10.0438 -10.0438 -8.8310 -8.8310 -8.8305 -8.8305 -3.8800 -3.8800 -3.8790 -3.8790 -0.3871 -0.3871 -0.3858 -0.3858 0.0119 0.0119 0.0135 0.0135 0.8281 0.8281 0.8287 0.8287 2.0015 2.0015 2.0025 2.0025 2.7793 2.7793 2.7804 2.7804 3.7953 3.7953 3.7962 3.7962 4.1456 4.1456 4.1464 4.1464 5.4150 5.4150 5.4152 5.4152 11.6271 11.6271 11.6281 11.6281 12.3791 12.3791 12.3816 12.3816 13.1231 13.1231 k =-0.0694 0.0428 0.5379 ( 4248 PWs) bands (ev): -13.2611 -13.2611 -13.2610 -13.2610 -10.0519 -10.0519 -10.0517 -10.0517 -8.8308 -8.8308 -8.8302 -8.8302 -3.8649 -3.8649 -3.8636 -3.8636 -0.4116 -0.4116 -0.4102 -0.4102 0.0322 0.0322 0.0340 0.0340 0.8383 0.8383 0.8391 0.8391 1.9832 1.9832 1.9845 1.9845 2.7915 2.7915 2.7930 2.7930 3.7890 3.7890 3.7901 3.7901 4.1326 4.1326 4.1336 4.1336 5.4121 5.4121 5.4123 5.4123 11.6276 11.6276 11.6288 11.6288 12.3987 12.3987 12.4018 12.4018 13.1269 13.1269 k =-0.0833 0.0514 0.5379 ( 4256 PWs) bands (ev): -13.2581 -13.2581 -13.2579 -13.2579 -10.0614 -10.0614 -10.0612 -10.0612 -8.8306 -8.8306 -8.8299 -8.8299 -3.8465 -3.8465 -3.8450 -3.8450 -0.4390 -0.4390 -0.4375 -0.4375 0.0547 0.0547 0.0567 0.0567 0.8507 0.8507 0.8516 0.8516 1.9617 1.9617 1.9631 1.9631 2.8056 2.8056 2.8072 2.8072 3.7813 3.7813 3.7826 3.7826 4.1174 4.1174 4.1187 4.1187 5.4083 5.4083 5.4085 5.4085 11.6288 11.6288 11.6301 11.6301 12.4221 12.4221 12.4258 12.4258 13.1315 13.1315 k =-0.0972 0.0600 0.5379 ( 4262 PWs) bands (ev): -13.2546 -13.2546 -13.2544 -13.2544 -10.0725 -10.0725 -10.0721 -10.0721 -8.8304 -8.8304 -8.8296 -8.8296 -3.8249 -3.8249 -3.8231 -3.8231 -0.4688 -0.4688 -0.4672 -0.4672 0.0788 0.0788 0.0809 0.0809 0.8651 0.8651 0.8661 0.8661 1.9373 1.9373 1.9389 1.9389 2.8209 2.8209 2.8227 2.8227 3.7723 3.7723 3.7738 3.7738 4.1007 4.1007 4.1022 4.1022 5.4034 5.4034 5.4036 5.4036 11.6306 11.6306 11.6321 11.6321 12.4488 12.4488 12.4531 12.4531 13.1368 13.1368 k =-0.1111 0.0686 0.5379 ( 4266 PWs) bands (ev): -13.2505 -13.2505 -13.2503 -13.2503 -10.0849 -10.0849 -10.0845 -10.0845 -8.8302 -8.8302 -8.8293 -8.8293 -3.8001 -3.8001 -3.7982 -3.7982 -0.5006 -0.5006 -0.4990 -0.4990 0.1041 0.1041 0.1063 0.1063 0.8816 0.8816 0.8827 0.8827 1.9104 1.9104 1.9121 1.9121 2.8370 2.8370 2.8390 2.8390 3.7619 3.7619 3.7636 3.7636 4.0828 4.0828 4.0845 4.0845 5.3972 5.3972 5.3974 5.3974 11.6333 11.6333 11.6350 11.6350 12.4785 12.4785 12.4833 12.4833 13.1426 13.1426 k =-0.1250 0.0771 0.5379 ( 4278 PWs) bands (ev): -13.2460 -13.2460 -13.2458 -13.2458 -10.0986 -10.0986 -10.0982 -10.0982 -8.8301 -8.8301 -8.8291 -8.8291 -3.7724 -3.7724 -3.7702 -3.7702 -0.5340 -0.5340 -0.5324 -0.5324 0.1303 0.1303 0.1326 0.1326 0.8999 0.8999 0.9012 0.9012 1.8811 1.8811 1.8831 1.8831 2.8533 2.8533 2.8556 2.8556 3.7501 3.7501 3.7521 3.7521 4.0643 4.0643 4.0662 4.0662 5.3896 5.3896 5.3898 5.3898 11.6370 11.6370 11.6387 11.6387 12.5108 12.5108 12.5162 12.5162 13.1491 13.1491 k =-0.1389 0.0857 0.5379 ( 4274 PWs) bands (ev): -13.2411 -13.2411 -13.2409 -13.2409 -10.1135 -10.1135 -10.1131 -10.1131 -8.8299 -8.8299 -8.8289 -8.8289 -3.7416 -3.7416 -3.7393 -3.7393 -0.5690 -0.5690 -0.5672 -0.5672 0.1573 0.1573 0.1596 0.1596 0.9202 0.9202 0.9216 0.9216 1.8500 1.8500 1.8520 1.8520 2.8696 2.8696 2.8720 2.8720 3.7371 3.7371 3.7393 3.7393 4.0456 4.0456 4.0477 4.0477 5.3805 5.3805 5.3807 5.3807 11.6417 11.6417 11.6436 11.6436 12.5453 12.5453 12.5512 12.5512 13.1562 13.1562 k =-0.1528 0.0943 0.5379 ( 4282 PWs) bands (ev): -13.2358 -13.2358 -13.2355 -13.2355 -10.1295 -10.1295 -10.1291 -10.1291 -8.8299 -8.8299 -8.8287 -8.8287 -3.7081 -3.7081 -3.7055 -3.7055 -0.6052 -0.6052 -0.6035 -0.6035 0.1848 0.1848 0.1871 0.1871 0.9422 0.9422 0.9437 0.9437 1.8171 1.8171 1.8193 1.8193 2.8851 2.8851 2.8878 2.8878 3.7229 3.7229 3.7252 3.7252 4.0274 4.0274 4.0297 4.0297 5.3699 5.3699 5.3700 5.3700 11.6476 11.6476 11.6495 11.6495 12.5815 12.5815 12.5879 12.5879 13.1639 13.1639 k =-0.1667 0.1028 0.5379 ( 4278 PWs) bands (ev): -13.2300 -13.2300 -13.2298 -13.2298 -10.1464 -10.1464 -10.1459 -10.1459 -8.8298 -8.8298 -8.8287 -8.8287 -3.6718 -3.6718 -3.6691 -3.6691 -0.6427 -0.6427 -0.6409 -0.6409 0.2127 0.2127 0.2150 0.2150 0.9659 0.9659 0.9675 0.9675 1.7828 1.7828 1.7852 1.7852 2.8996 2.8996 2.9024 2.9024 3.7075 3.7075 3.7100 3.7100 4.0101 4.0101 4.0125 4.0125 5.3576 5.3576 5.3578 5.3578 11.6545 11.6545 11.6565 11.6565 12.6189 12.6189 12.6258 12.6258 13.1724 13.1724 k =-0.1806 0.1114 0.5379 ( 4278 PWs) bands (ev): -13.2240 -13.2240 -13.2237 -13.2237 -10.1641 -10.1641 -10.1636 -10.1636 -8.8299 -8.8299 -8.8287 -8.8287 -3.6329 -3.6329 -3.6300 -3.6300 -0.6813 -0.6813 -0.6794 -0.6794 0.2409 0.2409 0.2432 0.2432 0.9912 0.9912 0.9929 0.9929 1.7475 1.7475 1.7500 1.7500 2.9125 2.9125 2.9155 2.9155 3.6910 3.6910 3.6937 3.6937 3.9942 3.9942 3.9967 3.9967 5.3436 5.3436 5.3439 5.3439 11.6625 11.6625 11.6646 11.6646 12.6572 12.6572 12.6646 12.6646 13.1818 13.1818 k =-0.1944 0.1200 0.5379 ( 4280 PWs) bands (ev): -13.2176 -13.2176 -13.2173 -13.2173 -10.1824 -10.1824 -10.1819 -10.1819 -8.8300 -8.8300 -8.8288 -8.8288 -3.5916 -3.5916 -3.5886 -3.5886 -0.7209 -0.7209 -0.7190 -0.7190 0.2692 0.2692 0.2715 0.2715 1.0179 1.0179 1.0198 1.0198 1.7113 1.7113 1.7139 1.7139 2.9234 2.9234 2.9266 2.9266 3.6735 3.6735 3.6764 3.6764 3.9801 3.9801 3.9827 3.9827 5.3280 5.3280 5.3284 5.3284 11.6715 11.6715 11.6736 11.6736 12.6956 12.6956 12.7035 12.7035 13.1925 13.1925 k =-0.2083 0.1285 0.5379 ( 4280 PWs) bands (ev): -13.2110 -13.2110 -13.2107 -13.2107 -10.2012 -10.2012 -10.2007 -10.2007 -8.8302 -8.8302 -8.8290 -8.8290 -3.5481 -3.5481 -3.5449 -3.5449 -0.7615 -0.7615 -0.7595 -0.7595 0.2975 0.2975 0.2998 0.2998 1.0459 1.0459 1.0479 1.0479 1.6746 1.6746 1.6774 1.6774 2.9320 2.9320 2.9352 2.9352 3.6552 3.6552 3.6583 3.6583 3.9682 3.9682 3.9708 3.9708 5.3108 5.3108 5.3113 5.3113 11.6814 11.6814 11.6836 11.6836 12.7336 12.7336 12.7420 12.7420 13.2048 13.2048 k =-0.2222 0.1371 0.5379 ( 4280 PWs) bands (ev): -13.2042 -13.2042 -13.2038 -13.2038 -10.2204 -10.2204 -10.2198 -10.2198 -8.8305 -8.8305 -8.8293 -8.8293 -3.5023 -3.5023 -3.4990 -3.4990 -0.8030 -0.8030 -0.8010 -0.8010 0.3257 0.3257 0.3281 0.3281 1.0750 1.0750 1.0771 1.0771 1.6378 1.6378 1.6408 1.6408 2.9378 2.9378 2.9412 2.9412 3.6362 3.6362 3.6394 3.6394 3.9589 3.9589 3.9615 3.9615 5.2922 5.2922 5.2928 5.2928 11.6922 11.6922 11.6943 11.6943 12.7705 12.7705 12.7793 12.7793 13.2192 13.2192 k =-0.2361 0.1457 0.5379 ( 4284 PWs) bands (ev): -13.1972 -13.1972 -13.1968 -13.1968 -10.2397 -10.2397 -10.2392 -10.2392 -8.8309 -8.8309 -8.8297 -8.8297 -3.4547 -3.4547 -3.4513 -3.4513 -0.8454 -0.8454 -0.8433 -0.8433 0.3536 0.3536 0.3560 0.3560 1.1046 1.1046 1.1070 1.1070 1.6015 1.6015 1.6046 1.6046 2.9406 2.9406 2.9441 2.9441 3.6166 3.6166 3.6199 3.6199 3.9524 3.9524 3.9549 3.9549 5.2722 5.2722 5.2728 5.2728 11.7036 11.7036 11.7058 11.7058 12.8054 12.8054 12.8146 12.8146 13.2363 13.2363 k =-0.2500 0.1543 0.5379 ( 4272 PWs) bands (ev): -13.1900 -13.1900 -13.1897 -13.1897 -10.2592 -10.2592 -10.2587 -10.2587 -8.8314 -8.8314 -8.8302 -8.8302 -3.4052 -3.4052 -3.4017 -3.4017 -0.8886 -0.8886 -0.8864 -0.8864 0.3813 0.3813 0.3837 0.3837 1.1343 1.1343 1.1369 1.1369 1.5664 1.5664 1.5697 1.5697 2.9402 2.9402 2.9437 2.9437 3.5965 3.5965 3.5999 3.5999 3.9488 3.9488 3.9513 3.9513 5.2509 5.2509 5.2517 5.2517 11.7156 11.7156 11.7178 11.7178 12.8376 12.8376 12.8472 12.8472 13.2567 13.2567 k =-0.2639 0.1628 0.5379 ( 4272 PWs) bands (ev): -13.1829 -13.1829 -13.1825 -13.1825 -10.2785 -10.2785 -10.2780 -10.2780 -8.8319 -8.8319 -8.8308 -8.8308 -3.3543 -3.3543 -3.3507 -3.3507 -0.9324 -0.9324 -0.9302 -0.9302 0.4085 0.4085 0.4109 0.4109 1.1631 1.1631 1.1659 1.1659 1.5336 1.5336 1.5370 1.5370 2.9365 2.9365 2.9400 2.9400 3.5761 3.5761 3.5796 3.5796 3.9482 3.9482 3.9506 3.9506 5.2286 5.2286 5.2295 5.2295 11.7280 11.7280 11.7303 11.7303 12.8666 12.8666 12.8764 12.8764 13.2808 13.2808 k =-0.2778 0.1714 0.5379 ( 4268 PWs) bands (ev): -13.1757 -13.1757 -13.1753 -13.1753 -10.2977 -10.2977 -10.2972 -10.2972 -8.8326 -8.8326 -8.8314 -8.8314 -3.3020 -3.3020 -3.2983 -3.2983 -0.9770 -0.9770 -0.9747 -0.9747 0.4351 0.4351 0.4376 0.4376 1.1894 1.1894 1.1925 1.1925 1.5048 1.5048 1.5084 1.5084 2.9294 2.9294 2.9330 2.9330 3.5554 3.5554 3.5591 3.5591 3.9506 3.9506 3.9530 3.9530 5.2054 5.2054 5.2065 5.2065 11.7407 11.7407 11.7430 11.7430 12.8919 12.8919 12.9019 12.9019 13.3088 13.3088 k =-0.2917 0.1800 0.5379 ( 4270 PWs) bands (ev): -13.1685 -13.1685 -13.1682 -13.1682 -10.3165 -10.3165 -10.3160 -10.3160 -8.8332 -8.8332 -8.8321 -8.8321 -3.2486 -3.2486 -3.2449 -3.2449 -1.0220 -1.0220 -1.0197 -1.0197 0.4612 0.4612 0.4637 0.4637 1.2104 1.2104 1.2137 1.2137 1.4829 1.4829 1.4866 1.4866 2.9191 2.9191 2.9226 2.9226 3.5347 3.5347 3.5384 3.5384 3.9559 3.9559 3.9581 3.9581 5.1816 5.1816 5.1827 5.1827 11.7536 11.7536 11.7558 11.7558 12.9133 12.9133 12.9234 12.9234 13.3406 13.3406 k =-0.3056 0.1885 0.5379 ( 4266 PWs) bands (ev): -13.1615 -13.1615 -13.1611 -13.1611 -10.3348 -10.3348 -10.3343 -10.3343 -8.8339 -8.8339 -8.8328 -8.8328 -3.1944 -3.1944 -3.1907 -3.1907 -1.0675 -1.0675 -1.0652 -1.0652 0.4866 0.4866 0.4891 0.4891 1.2225 1.2225 1.2260 1.2260 1.4716 1.4716 1.4752 1.4752 2.9056 2.9056 2.9091 2.9091 3.5141 3.5141 3.5179 3.5179 3.9637 3.9637 3.9659 3.9659 5.1572 5.1572 5.1584 5.1584 11.7664 11.7664 11.7687 11.7687 12.9313 12.9313 12.9412 12.9412 13.3757 13.3757 k =-0.3194 0.1971 0.5379 ( 4274 PWs) bands (ev): -13.1546 -13.1546 -13.1542 -13.1542 -10.3525 -10.3525 -10.3520 -10.3520 -8.8347 -8.8347 -8.8336 -8.8336 -3.1397 -3.1397 -3.1360 -3.1360 -1.1133 -1.1133 -1.1110 -1.1110 0.5113 0.5113 0.5137 0.5137 1.2228 1.2228 1.2262 1.2262 1.4740 1.4740 1.4774 1.4774 2.8893 2.8893 2.8927 2.8927 3.4939 3.4939 3.4975 3.4975 3.9738 3.9738 3.9759 3.9759 5.1327 5.1327 5.1339 5.1339 11.7791 11.7791 11.7814 11.7814 12.9460 12.9460 12.9557 12.9557 13.4132 13.4132 k =-0.3333 0.2057 0.5379 ( 4272 PWs) bands (ev): -13.1479 -13.1479 -13.1476 -13.1476 -10.3694 -10.3694 -10.3690 -10.3690 -8.8354 -8.8354 -8.8344 -8.8344 -3.0848 -3.0848 -3.0811 -3.0811 -1.1593 -1.1593 -1.1569 -1.1569 0.5352 0.5352 0.5376 0.5376 1.2114 1.2114 1.2146 1.2146 1.4899 1.4899 1.4927 1.4927 2.8703 2.8703 2.8736 2.8736 3.4741 3.4741 3.4777 3.4777 3.9859 3.9859 3.9878 3.9878 5.1081 5.1081 5.1095 5.1095 11.7916 11.7916 11.7938 11.7938 12.9581 12.9581 12.9676 12.9676 13.4522 13.4522 k =-0.3472 0.2142 0.5379 ( 4272 PWs) bands (ev): -13.1415 -13.1415 -13.1412 -13.1412 -10.3855 -10.3855 -10.3851 -10.3851 -8.8362 -8.8362 -8.8353 -8.8353 -3.0301 -3.0301 -3.0265 -3.0265 -1.2050 -1.2050 -1.2027 -1.2027 0.5583 0.5583 0.5607 0.5607 1.1915 1.1915 1.1946 1.1946 1.5157 1.5157 1.5180 1.5180 2.8491 2.8491 2.8522 2.8522 3.4550 3.4550 3.4585 3.4585 3.9994 3.9994 4.0013 4.0013 5.0838 5.0838 5.0852 5.0852 11.8036 11.8036 11.8057 11.8057 12.9681 12.9681 12.9772 12.9772 13.4915 13.4915 k =-0.3611 0.2228 0.5379 ( 4272 PWs) bands (ev): -13.1354 -13.1354 -13.1351 -13.1351 -10.4006 -10.4006 -10.4002 -10.4002 -8.8369 -8.8369 -8.8361 -8.8361 -2.9760 -2.9760 -2.9725 -2.9725 -1.2504 -1.2504 -1.2480 -1.2480 0.5806 0.5806 0.5830 0.5830 1.1669 1.1669 1.1698 1.1698 1.5475 1.5475 1.5496 1.5496 2.8259 2.8259 2.8289 2.8289 3.4369 3.4369 3.4401 3.4401 4.0139 4.0139 4.0157 4.0157 5.0601 5.0601 5.0615 5.0615 11.8151 11.8151 11.8172 11.8172 12.9766 12.9766 12.9852 12.9852 13.5299 13.5299 k =-0.3750 0.2314 0.5379 ( 4272 PWs) bands (ev): -13.1297 -13.1297 -13.1295 -13.1295 -10.4146 -10.4146 -10.4143 -10.4143 -8.8376 -8.8376 -8.8369 -8.8369 -2.9231 -2.9231 -2.9197 -2.9197 -1.2950 -1.2950 -1.2926 -1.2926 0.6020 0.6020 0.6044 0.6044 1.1400 1.1400 1.1428 1.1428 1.5827 1.5827 1.5845 1.5845 2.8013 2.8013 2.8041 2.8041 3.4198 3.4198 3.4229 3.4229 4.0291 4.0291 4.0308 4.0308 5.0372 5.0372 5.0386 5.0386 11.8260 11.8260 11.8279 11.8279 12.9838 12.9838 12.9919 12.9919 13.5662 13.5662 k =-0.3889 0.2399 0.5379 ( 4272 PWs) bands (ev): -13.1245 -13.1245 -13.1242 -13.1242 -10.4274 -10.4274 -10.4271 -10.4271 -8.8383 -8.8383 -8.8376 -8.8376 -2.8719 -2.8719 -2.8687 -2.8687 -1.3383 -1.3383 -1.3360 -1.3360 0.6226 0.6226 0.6249 0.6249 1.1126 1.1126 1.1152 1.1152 1.6192 1.6192 1.6208 1.6208 2.7758 2.7758 2.7784 2.7784 3.4041 3.4041 3.4069 3.4069 4.0444 4.0444 4.0460 4.0460 5.0154 5.0154 5.0167 5.0167 11.8360 11.8360 11.8378 11.8378 12.9901 12.9901 12.9976 12.9976 13.5992 13.5992 k =-0.4028 0.2485 0.5379 ( 4272 PWs) bands (ev): -13.1197 -13.1197 -13.1195 -13.1195 -10.4390 -10.4390 -10.4387 -10.4387 -8.8389 -8.8389 -8.8383 -8.8383 -2.8231 -2.8231 -2.8201 -2.8201 -1.3797 -1.3797 -1.3776 -1.3776 0.6421 0.6421 0.6444 0.6444 1.0856 1.0856 1.0881 1.0881 1.6556 1.6556 1.6571 1.6571 2.7500 2.7500 2.7523 2.7523 3.3899 3.3899 3.3924 3.3924 4.0594 4.0594 4.0609 4.0609 4.9951 4.9951 4.9963 4.9963 11.8452 11.8452 11.8469 11.8469 12.9957 12.9957 13.0025 13.0025 13.6277 13.6277 k =-0.4167 0.2571 0.5379 ( 4264 PWs) bands (ev): -13.1155 -13.1155 -13.1153 -13.1153 -10.4492 -10.4492 -10.4489 -10.4489 -8.8395 -8.8395 -8.8390 -8.8390 -2.7775 -2.7775 -2.7748 -2.7748 -1.4187 -1.4187 -1.4167 -1.4167 0.6606 0.6606 0.6628 0.6628 1.0599 1.0599 1.0623 1.0623 1.6907 1.6907 1.6921 1.6921 2.7246 2.7246 2.7267 2.7267 3.3773 3.3773 3.3794 3.3794 4.0737 4.0737 4.0750 4.0750 4.9765 4.9765 4.9777 4.9777 11.8534 11.8534 11.8549 11.8549 13.0007 13.0007 13.0067 13.0067 13.6509 13.6509 k =-0.4306 0.2657 0.5379 ( 4270 PWs) bands (ev): -13.1118 -13.1118 -13.1117 -13.1117 -10.4579 -10.4579 -10.4577 -10.4577 -8.8400 -8.8400 -8.8395 -8.8395 -2.7361 -2.7361 -2.7337 -2.7337 -1.4542 -1.4542 -1.4524 -1.4524 0.6777 0.6777 0.6798 0.6798 1.0362 1.0362 1.0384 1.0384 1.7235 1.7235 1.7247 1.7247 2.7005 2.7005 2.7023 2.7023 3.3664 3.3664 3.3683 3.3683 4.0867 4.0867 4.0878 4.0878 4.9601 4.9601 4.9611 4.9611 11.8606 11.8606 11.8618 11.8618 13.0051 13.0051 13.0102 13.0102 13.6687 13.6687 k =-0.4444 0.2742 0.5379 ( 4254 PWs) bands (ev): -13.1088 -13.1088 -13.1086 -13.1086 -10.4651 -10.4651 -10.4649 -10.4649 -8.8404 -8.8404 -8.8400 -8.8400 -2.6999 -2.6999 -2.6978 -2.6978 -1.4855 -1.4855 -1.4839 -1.4839 0.6932 0.6932 0.6950 0.6950 1.0150 1.0150 1.0170 1.0170 1.7526 1.7526 1.7537 1.7537 2.6787 2.6787 2.6802 2.6802 3.3575 3.3575 3.3590 3.3590 4.0981 4.0981 4.0990 4.0990 4.9461 4.9461 4.9469 4.9469 11.8666 11.8666 11.8676 11.8676 13.0089 13.0089 13.0132 13.0132 13.6813 13.6813 k =-0.4583 0.2828 0.5379 ( 4258 PWs) bands (ev): -13.1064 -13.1064 -13.1063 -13.1063 -10.4708 -10.4708 -10.4707 -10.4707 -8.8407 -8.8407 -8.8404 -8.8404 -2.6700 -2.6700 -2.6684 -2.6684 -1.5113 -1.5113 -1.5100 -1.5100 0.7065 0.7065 0.7081 0.7081 0.9972 0.9972 0.9989 0.9989 1.7771 1.7771 1.7779 1.7779 2.6601 2.6601 2.6613 2.6613 3.3504 3.3504 3.3516 3.3516 4.1074 4.1074 4.1081 4.1081 4.9348 4.9348 4.9355 4.9355 11.8713 11.8713 11.8721 11.8721 13.0121 13.0121 13.0154 13.0154 13.6897 13.6897 k =-0.4722 0.2914 0.5379 ( 4262 PWs) bands (ev): -13.1046 -13.1046 -13.1045 -13.1045 -10.4749 -10.4749 -10.4748 -10.4748 -8.8409 -8.8409 -8.8407 -8.8407 -2.6475 -2.6475 -2.6464 -2.6464 -1.5306 -1.5306 -1.5297 -1.5297 0.7170 0.7170 0.7182 0.7182 0.9836 0.9836 0.9848 0.9848 1.7956 1.7956 1.7962 1.7962 2.6460 2.6460 2.6468 2.6468 3.3455 3.3455 3.3462 3.3462 4.1144 4.1144 4.1149 4.1149 4.9266 4.9266 4.9270 4.9270 11.8748 11.8748 11.8753 11.8753 13.0147 13.0147 13.0169 13.0169 13.6948 13.6948 k =-0.4861 0.2999 0.5379 ( 4264 PWs) bands (ev): -13.1036 -13.1036 -13.1035 -13.1035 -10.4773 -10.4773 -10.4773 -10.4773 -8.8410 -8.8410 -8.8409 -8.8409 -2.6335 -2.6335 -2.6329 -2.6329 -1.5426 -1.5426 -1.5421 -1.5421 0.7240 0.7240 0.7245 0.7245 0.9751 0.9751 0.9757 0.9757 1.8072 1.8072 1.8075 1.8075 2.6371 2.6371 2.6375 2.6375 3.3425 3.3425 3.3429 3.3429 4.1187 4.1187 4.1190 4.1190 4.9216 4.9216 4.9218 4.9218 11.8769 11.8769 11.8772 11.8772 13.0164 13.0164 13.0176 13.0176 13.6977 13.6977 k =-0.5000 0.3085 0.5379 ( 4256 PWs) bands (ev): -13.1032 -13.1032 -13.1032 -13.1032 -10.4781 -10.4781 -10.4781 -10.4781 -8.8410 -8.8410 -8.8410 -8.8410 -2.6285 -2.6285 -2.6285 -2.6285 -1.5465 -1.5465 -1.5465 -1.5465 0.7266 0.7266 0.7266 0.7266 0.9724 0.9724 0.9724 0.9724 1.8113 1.8113 1.8113 1.8113 2.6342 2.6342 2.6342 2.6342 3.3417 3.3417 3.3417 3.3417 4.1203 4.1203 4.1203 4.1203 4.9200 4.9200 4.9200 4.9200 11.8778 11.8778 11.8778 11.8778 13.0174 13.0174 13.0174 13.0174 13.6990 13.6990 Writing output data file Si2N2O.save init_run : 4.57s CPU 13.39s WALL ( 1 calls) electrons : 1256.92s CPU 1268.29s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.34s CPU 1.45s WALL ( 1 calls) Called by electrons: c_bands : 1256.90s CPU 1268.04s WALL ( 1 calls) v_of_rho : 0.12s CPU 0.98s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.11s CPU 0.62s WALL ( 1 calls) newd : 0.36s CPU 0.61s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.11s WALL ( 374 calls) cegterg : 1157.23s CPU 1163.63s WALL ( 1209 calls) Called by sum_band: Called by *egterg: h_psi : 411.52s CPU 424.36s WALL ( 22639 calls) s_psi : 66.42s CPU 66.87s WALL ( 22639 calls) g_psi : 0.92s CPU 1.04s WALL ( 21056 calls) cdiaghg : 524.72s CPU 519.28s WALL ( 21430 calls) cegterg:over : 86.84s CPU 83.20s WALL ( 21056 calls) cegterg:upda : 19.79s CPU 25.64s WALL ( 21056 calls) cegterg:last : 16.19s CPU 17.18s WALL ( 2710 calls) Called by h_psi: h_psi:vloc : 277.44s CPU 287.71s WALL ( 22639 calls) h_psi:vnl : 133.61s CPU 135.38s WALL ( 22639 calls) add_vuspsi : 49.40s CPU 56.14s WALL ( 22639 calls) General routines calbec : 84.14s CPU 79.10s WALL ( 22639 calls) fft : 0.43s CPU 1.31s WALL ( 19 calls) ffts : 0.00s CPU 0.01s WALL ( 4 calls) fftw : 260.75s CPU 266.19s WALL ( 1789760 calls) interpolate : 0.02s CPU 0.04s WALL ( 4 calls) davcio : 0.02s CPU 6.27s WALL ( 748 calls) Parallel routines fft_scatter : 162.07s CPU 167.12s WALL ( 1789783 calls) PWSCF : 22m37.25s CPU 26m34.70s WALL This run was terminated on: 17:40:17 24Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=