Program PWSCF v.5.1.1 starts on 19Nov2015 at 4:51:37 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 47 27 7 1653 727 111 Max 48 28 8 1657 742 116 Sum 2257 1311 383 79465 35167 5499 bravais-lattice index = 14 lattice parameter (alat) = 9.8836 a.u. unit-cell volume = 806.6179 (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)= 9.883553 celldm(2)= 1.000000 celldm(3)= 0.931713 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.442642 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.442642 0.896698 0.000000 ) a(3) = ( 0.000000 0.000000 0.931713 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.493635 -0.000000 ) b(2) = ( 0.000000 1.115202 -0.000000 ) b(3) = ( 0.000000 0.000000 1.073292 ) 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 ) ( -0.4658565 ) 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) = ( 0.0086647 0.0139400 -0.0000000), wk = 0.0026738 k( 3) = ( 0.0173293 0.0278801 -0.0000000), wk = 0.0026738 k( 4) = ( 0.0259940 0.0418201 -0.0000000), wk = 0.0026738 k( 5) = ( 0.0346586 0.0557601 -0.0000000), wk = 0.0026738 k( 6) = ( 0.0433233 0.0697001 -0.0000000), wk = 0.0026738 k( 7) = ( 0.0519879 0.0836402 -0.0000000), wk = 0.0026738 k( 8) = ( 0.0606526 0.0975802 -0.0000000), wk = 0.0026738 k( 9) = ( 0.0693173 0.1115202 -0.0000000), wk = 0.0026738 k( 10) = ( 0.0779819 0.1254602 -0.0000000), wk = 0.0026738 k( 11) = ( 0.0866466 0.1394003 -0.0000000), wk = 0.0026738 k( 12) = ( 0.0953112 0.1533403 -0.0000000), wk = 0.0026738 k( 13) = ( 0.1039759 0.1672803 -0.0000000), wk = 0.0026738 k( 14) = ( 0.1126406 0.1812203 -0.0000000), wk = 0.0026738 k( 15) = ( 0.1213052 0.1951604 -0.0000000), wk = 0.0026738 k( 16) = ( 0.1299699 0.2091004 -0.0000000), wk = 0.0026738 k( 17) = ( 0.1386345 0.2230404 -0.0000000), wk = 0.0026738 k( 18) = ( 0.1472992 0.2369804 -0.0000000), wk = 0.0026738 k( 19) = ( 0.1559638 0.2509205 -0.0000000), wk = 0.0026738 k( 20) = ( 0.1646285 0.2648605 -0.0000000), wk = 0.0026738 k( 21) = ( 0.1732932 0.2788005 -0.0000000), wk = 0.0026738 k( 22) = ( 0.1819578 0.2927406 -0.0000000), wk = 0.0026738 k( 23) = ( 0.1906225 0.3066806 -0.0000000), wk = 0.0026738 k( 24) = ( 0.1992871 0.3206206 -0.0000000), wk = 0.0026738 k( 25) = ( 0.2079518 0.3345606 -0.0000000), wk = 0.0026738 k( 26) = ( 0.2166165 0.3485007 -0.0000000), wk = 0.0026738 k( 27) = ( 0.2252811 0.3624407 -0.0000000), wk = 0.0026738 k( 28) = ( 0.2339458 0.3763807 -0.0000000), wk = 0.0026738 k( 29) = ( 0.2426104 0.3903207 -0.0000000), wk = 0.0026738 k( 30) = ( 0.2512751 0.4042608 -0.0000000), wk = 0.0026738 k( 31) = ( 0.2599398 0.4182008 -0.0000000), wk = 0.0026738 k( 32) = ( 0.2686044 0.4321408 -0.0000000), wk = 0.0026738 k( 33) = ( 0.2772691 0.4460808 -0.0000000), wk = 0.0026738 k( 34) = ( 0.2859337 0.4600209 -0.0000000), wk = 0.0026738 k( 35) = ( 0.2945984 0.4739609 -0.0000000), wk = 0.0026738 k( 36) = ( 0.3032630 0.4879009 -0.0000000), wk = 0.0026738 k( 37) = ( 0.3119277 0.5018410 -0.0000000), wk = 0.0026738 k( 38) = ( 0.3205924 0.5157810 -0.0000000), wk = 0.0026738 k( 39) = ( 0.3292570 0.5297210 -0.0000000), wk = 0.0026738 k( 40) = ( 0.3379217 0.5436610 -0.0000000), wk = 0.0026738 k( 41) = ( 0.3465863 0.5576011 -0.0000000), wk = 0.0026738 k( 42) = ( 0.3465863 0.5576011 -0.0000000), wk = 0.0026738 k( 43) = ( 0.3300822 0.5576011 -0.0000000), wk = 0.0026738 k( 44) = ( 0.3135781 0.5576011 -0.0000000), wk = 0.0026738 k( 45) = ( 0.2970740 0.5576011 -0.0000000), wk = 0.0026738 k( 46) = ( 0.2805699 0.5576011 -0.0000000), wk = 0.0026738 k( 47) = ( 0.2640658 0.5576011 -0.0000000), wk = 0.0026738 k( 48) = ( 0.2475617 0.5576011 -0.0000000), wk = 0.0026738 k( 49) = ( 0.2310576 0.5576011 -0.0000000), wk = 0.0026738 k( 50) = ( 0.2145535 0.5576011 -0.0000000), wk = 0.0026738 k( 51) = ( 0.1980493 0.5576011 -0.0000000), wk = 0.0026738 k( 52) = ( 0.1815452 0.5576011 -0.0000000), wk = 0.0026738 k( 53) = ( 0.1650411 0.5576011 -0.0000000), wk = 0.0026738 k( 54) = ( 0.1485370 0.5576011 -0.0000000), wk = 0.0026738 k( 55) = ( 0.1320329 0.5576011 -0.0000000), wk = 0.0026738 k( 56) = ( 0.1155288 0.5576011 -0.0000000), wk = 0.0026738 k( 57) = ( 0.0990247 0.5576011 -0.0000000), wk = 0.0026738 k( 58) = ( 0.0825206 0.5576011 -0.0000000), wk = 0.0026738 k( 59) = ( 0.0660165 0.5576011 -0.0000000), wk = 0.0026738 k( 60) = ( 0.0495123 0.5576011 -0.0000000), wk = 0.0026738 k( 61) = ( 0.0330082 0.5576011 -0.0000000), wk = 0.0026738 k( 62) = ( 0.0165041 0.5576011 -0.0000000), wk = 0.0026738 k( 63) = ( 0.0000000 0.5576011 -0.0000000), wk = 0.0026738 k( 64) = ( 0.0000000 0.5576011 -0.0000000), wk = 0.0026738 k( 65) = ( 0.0000000 0.5576011 0.0162620), wk = 0.0026738 k( 66) = ( 0.0000000 0.5576011 0.0325240), wk = 0.0026738 k( 67) = ( 0.0000000 0.5576011 0.0487860), wk = 0.0026738 k( 68) = ( 0.0000000 0.5576011 0.0650480), wk = 0.0026738 k( 69) = ( 0.0000000 0.5576011 0.0813100), wk = 0.0026738 k( 70) = ( 0.0000000 0.5576011 0.0975720), wk = 0.0026738 k( 71) = ( 0.0000000 0.5576011 0.1138340), wk = 0.0026738 k( 72) = ( 0.0000000 0.5576011 0.1300960), wk = 0.0026738 k( 73) = ( 0.0000000 0.5576011 0.1463580), wk = 0.0026738 k( 74) = ( 0.0000000 0.5576011 0.1626200), wk = 0.0026738 k( 75) = ( 0.0000000 0.5576011 0.1788820), wk = 0.0026738 k( 76) = ( 0.0000000 0.5576011 0.1951440), wk = 0.0026738 k( 77) = ( 0.0000000 0.5576011 0.2114060), wk = 0.0026738 k( 78) = ( 0.0000000 0.5576011 0.2276680), wk = 0.0026738 k( 79) = ( 0.0000000 0.5576011 0.2439300), wk = 0.0026738 k( 80) = ( 0.0000000 0.5576011 0.2601920), wk = 0.0026738 k( 81) = ( 0.0000000 0.5576011 0.2764540), wk = 0.0026738 k( 82) = ( 0.0000000 0.5576011 0.2927160), wk = 0.0026738 k( 83) = ( 0.0000000 0.5576011 0.3089780), wk = 0.0026738 k( 84) = ( 0.0000000 0.5576011 0.3252400), wk = 0.0026738 k( 85) = ( 0.0000000 0.5576011 0.3415020), wk = 0.0026738 k( 86) = ( 0.0000000 0.5576011 0.3577640), wk = 0.0026738 k( 87) = ( 0.0000000 0.5576011 0.3740260), wk = 0.0026738 k( 88) = ( 0.0000000 0.5576011 0.3902880), wk = 0.0026738 k( 89) = ( 0.0000000 0.5576011 0.4065500), wk = 0.0026738 k( 90) = ( 0.0000000 0.5576011 0.4228120), wk = 0.0026738 k( 91) = ( 0.0000000 0.5576011 0.4390740), wk = 0.0026738 k( 92) = ( 0.0000000 0.5576011 0.4553360), wk = 0.0026738 k( 93) = ( 0.0000000 0.5576011 0.4715980), wk = 0.0026738 k( 94) = ( 0.0000000 0.5576011 0.4878600), wk = 0.0026738 k( 95) = ( 0.0000000 0.5576011 0.5041220), wk = 0.0026738 k( 96) = ( 0.0000000 0.5576011 0.5203840), wk = 0.0026738 k( 97) = ( 0.0000000 0.5576011 0.5366460), wk = 0.0026738 k( 98) = ( 0.0000000 0.5576011 0.5366460), wk = 0.0026738 k( 99) = ( 0.0165041 0.5576011 0.5366460), wk = 0.0026738 k( 100) = ( 0.0330082 0.5576011 0.5366460), wk = 0.0026738 k( 101) = ( 0.0495123 0.5576011 0.5366460), wk = 0.0026738 k( 102) = ( 0.0660165 0.5576011 0.5366460), wk = 0.0026738 k( 103) = ( 0.0825206 0.5576011 0.5366460), wk = 0.0026738 k( 104) = ( 0.0990247 0.5576011 0.5366460), wk = 0.0026738 k( 105) = ( 0.1155288 0.5576011 0.5366460), wk = 0.0026738 k( 106) = ( 0.1320329 0.5576011 0.5366460), wk = 0.0026738 k( 107) = ( 0.1485370 0.5576011 0.5366460), wk = 0.0026738 k( 108) = ( 0.1650411 0.5576011 0.5366460), wk = 0.0026738 k( 109) = ( 0.1815452 0.5576011 0.5366460), wk = 0.0026738 k( 110) = ( 0.1980493 0.5576011 0.5366460), wk = 0.0026738 k( 111) = ( 0.2145535 0.5576011 0.5366460), wk = 0.0026738 k( 112) = ( 0.2310576 0.5576011 0.5366460), wk = 0.0026738 k( 113) = ( 0.2475617 0.5576011 0.5366460), wk = 0.0026738 k( 114) = ( 0.2640658 0.5576011 0.5366460), wk = 0.0026738 k( 115) = ( 0.2805699 0.5576011 0.5366460), wk = 0.0026738 k( 116) = ( 0.2970740 0.5576011 0.5366460), wk = 0.0026738 k( 117) = ( 0.3135781 0.5576011 0.5366460), wk = 0.0026738 k( 118) = ( 0.3300822 0.5576011 0.5366460), wk = 0.0026738 k( 119) = ( 0.3465863 0.5576011 0.5366460), wk = 0.0026738 k( 120) = ( 0.3465863 0.5576011 0.5366460), wk = 0.0026738 k( 121) = ( 0.3379217 0.5436610 0.5366460), wk = 0.0026738 k( 122) = ( 0.3292570 0.5297210 0.5366460), wk = 0.0026738 k( 123) = ( 0.3205924 0.5157810 0.5366460), wk = 0.0026738 k( 124) = ( 0.3119277 0.5018410 0.5366460), wk = 0.0026738 k( 125) = ( 0.3032630 0.4879009 0.5366460), wk = 0.0026738 k( 126) = ( 0.2945984 0.4739609 0.5366460), wk = 0.0026738 k( 127) = ( 0.2859337 0.4600209 0.5366460), wk = 0.0026738 k( 128) = ( 0.2772691 0.4460808 0.5366460), wk = 0.0026738 k( 129) = ( 0.2686044 0.4321408 0.5366460), wk = 0.0026738 k( 130) = ( 0.2599398 0.4182008 0.5366460), wk = 0.0026738 k( 131) = ( 0.2512751 0.4042608 0.5366460), wk = 0.0026738 k( 132) = ( 0.2426104 0.3903207 0.5366460), wk = 0.0026738 k( 133) = ( 0.2339458 0.3763807 0.5366460), wk = 0.0026738 k( 134) = ( 0.2252811 0.3624407 0.5366460), wk = 0.0026738 k( 135) = ( 0.2166165 0.3485007 0.5366460), wk = 0.0026738 k( 136) = ( 0.2079518 0.3345606 0.5366460), wk = 0.0026738 k( 137) = ( 0.1992871 0.3206206 0.5366460), wk = 0.0026738 k( 138) = ( 0.1906225 0.3066806 0.5366460), wk = 0.0026738 k( 139) = ( 0.1819578 0.2927406 0.5366460), wk = 0.0026738 k( 140) = ( 0.1732932 0.2788005 0.5366460), wk = 0.0026738 k( 141) = ( 0.1646285 0.2648605 0.5366460), wk = 0.0026738 k( 142) = ( 0.1559638 0.2509205 0.5366460), wk = 0.0026738 k( 143) = ( 0.1472992 0.2369804 0.5366460), wk = 0.0026738 k( 144) = ( 0.1386345 0.2230404 0.5366460), wk = 0.0026738 k( 145) = ( 0.1299699 0.2091004 0.5366460), wk = 0.0026738 k( 146) = ( 0.1213052 0.1951604 0.5366460), wk = 0.0026738 k( 147) = ( 0.1126406 0.1812203 0.5366460), wk = 0.0026738 k( 148) = ( 0.1039759 0.1672803 0.5366460), wk = 0.0026738 k( 149) = ( 0.0953112 0.1533403 0.5366460), wk = 0.0026738 k( 150) = ( 0.0866466 0.1394003 0.5366460), wk = 0.0026738 k( 151) = ( 0.0779819 0.1254602 0.5366460), wk = 0.0026738 k( 152) = ( 0.0693173 0.1115202 0.5366460), wk = 0.0026738 k( 153) = ( 0.0606526 0.0975802 0.5366460), wk = 0.0026738 k( 154) = ( 0.0519879 0.0836402 0.5366460), wk = 0.0026738 k( 155) = ( 0.0433233 0.0697001 0.5366460), wk = 0.0026738 k( 156) = ( 0.0346586 0.0557601 0.5366460), wk = 0.0026738 k( 157) = ( 0.0259940 0.0418201 0.5366460), wk = 0.0026738 k( 158) = ( 0.0173293 0.0278801 0.5366460), wk = 0.0026738 k( 159) = ( 0.0086647 0.0139400 0.5366460), wk = 0.0026738 k( 160) = ( 0.0000000 0.0000000 0.5366460), wk = 0.0026738 k( 161) = ( 0.0000000 0.0000000 0.5366460), wk = 0.0026738 k( 162) = ( 0.0000000 0.0000000 0.5203840), wk = 0.0026738 k( 163) = ( 0.0000000 0.0000000 0.5041220), wk = 0.0026738 k( 164) = ( 0.0000000 0.0000000 0.4878600), wk = 0.0026738 k( 165) = ( 0.0000000 0.0000000 0.4715980), wk = 0.0026738 k( 166) = ( 0.0000000 0.0000000 0.4553360), wk = 0.0026738 k( 167) = ( 0.0000000 0.0000000 0.4390740), wk = 0.0026738 k( 168) = ( 0.0000000 0.0000000 0.4228120), wk = 0.0026738 k( 169) = ( 0.0000000 0.0000000 0.4065500), wk = 0.0026738 k( 170) = ( 0.0000000 0.0000000 0.3902880), wk = 0.0026738 k( 171) = ( 0.0000000 0.0000000 0.3740260), wk = 0.0026738 k( 172) = ( 0.0000000 0.0000000 0.3577640), wk = 0.0026738 k( 173) = ( 0.0000000 0.0000000 0.3415020), wk = 0.0026738 k( 174) = ( 0.0000000 0.0000000 0.3252400), wk = 0.0026738 k( 175) = ( 0.0000000 0.0000000 0.3089780), wk = 0.0026738 k( 176) = ( 0.0000000 0.0000000 0.2927160), wk = 0.0026738 k( 177) = ( 0.0000000 0.0000000 0.2764540), wk = 0.0026738 k( 178) = ( 0.0000000 0.0000000 0.2601920), wk = 0.0026738 k( 179) = ( 0.0000000 0.0000000 0.2439300), wk = 0.0026738 k( 180) = ( 0.0000000 0.0000000 0.2276680), wk = 0.0026738 k( 181) = ( 0.0000000 0.0000000 0.2114060), wk = 0.0026738 k( 182) = ( 0.0000000 0.0000000 0.1951440), wk = 0.0026738 k( 183) = ( 0.0000000 0.0000000 0.1788820), wk = 0.0026738 k( 184) = ( 0.0000000 0.0000000 0.1626200), wk = 0.0026738 k( 185) = ( 0.0000000 0.0000000 0.1463580), wk = 0.0026738 k( 186) = ( 0.0000000 0.0000000 0.1300960), wk = 0.0026738 k( 187) = ( 0.0000000 0.0000000 0.1138340), wk = 0.0026738 k( 188) = ( 0.0000000 0.0000000 0.0975720), wk = 0.0026738 k( 189) = ( 0.0000000 0.0000000 0.0813100), wk = 0.0026738 k( 190) = ( 0.0000000 0.0000000 0.0650480), wk = 0.0026738 k( 191) = ( 0.0000000 0.0000000 0.0487860), wk = 0.0026738 k( 192) = ( 0.0000000 0.0000000 0.0325240), wk = 0.0026738 k( 193) = ( 0.0000000 0.0000000 0.0162620), 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 0.0086329 0.0000000), wk = 0.0026738 k( 197) = ( -0.0277778 0.0172657 0.0000000), wk = 0.0026738 k( 198) = ( -0.0416667 0.0258986 0.0000000), wk = 0.0026738 k( 199) = ( -0.0555556 0.0345315 0.0000000), wk = 0.0026738 k( 200) = ( -0.0694444 0.0431644 0.0000000), wk = 0.0026738 k( 201) = ( -0.0833333 0.0517972 0.0000000), wk = 0.0026738 k( 202) = ( -0.0972222 0.0604301 0.0000000), wk = 0.0026738 k( 203) = ( -0.1111111 0.0690630 0.0000000), wk = 0.0026738 k( 204) = ( -0.1250000 0.0776959 0.0000000), wk = 0.0026738 k( 205) = ( -0.1388889 0.0863287 0.0000000), wk = 0.0026738 k( 206) = ( -0.1527778 0.0949616 0.0000000), wk = 0.0026738 k( 207) = ( -0.1666667 0.1035945 0.0000000), wk = 0.0026738 k( 208) = ( -0.1805556 0.1122274 0.0000000), wk = 0.0026738 k( 209) = ( -0.1944444 0.1208602 0.0000000), wk = 0.0026738 k( 210) = ( -0.2083333 0.1294931 0.0000000), wk = 0.0026738 k( 211) = ( -0.2222222 0.1381260 0.0000000), wk = 0.0026738 k( 212) = ( -0.2361111 0.1467588 0.0000000), wk = 0.0026738 k( 213) = ( -0.2500000 0.1553917 0.0000000), wk = 0.0026738 k( 214) = ( -0.2638889 0.1640246 0.0000000), wk = 0.0026738 k( 215) = ( -0.2777778 0.1726575 0.0000000), wk = 0.0026738 k( 216) = ( -0.2916667 0.1812903 0.0000000), wk = 0.0026738 k( 217) = ( -0.3055556 0.1899232 0.0000000), wk = 0.0026738 k( 218) = ( -0.3194444 0.1985561 0.0000000), wk = 0.0026738 k( 219) = ( -0.3333333 0.2071890 0.0000000), wk = 0.0026738 k( 220) = ( -0.3472222 0.2158218 0.0000000), wk = 0.0026738 k( 221) = ( -0.3611111 0.2244547 0.0000000), wk = 0.0026738 k( 222) = ( -0.3750000 0.2330876 0.0000000), wk = 0.0026738 k( 223) = ( -0.3888889 0.2417204 0.0000000), wk = 0.0026738 k( 224) = ( -0.4027778 0.2503533 0.0000000), wk = 0.0026738 k( 225) = ( -0.4166667 0.2589862 0.0000000), wk = 0.0026738 k( 226) = ( -0.4305556 0.2676191 0.0000000), wk = 0.0026738 k( 227) = ( -0.4444444 0.2762519 0.0000000), wk = 0.0026738 k( 228) = ( -0.4583333 0.2848848 0.0000000), wk = 0.0026738 k( 229) = ( -0.4722222 0.2935177 0.0000000), wk = 0.0026738 k( 230) = ( -0.4861111 0.3021506 0.0000000), wk = 0.0026738 k( 231) = ( -0.5000000 0.3107834 0.0000000), wk = 0.0026738 k( 232) = ( -0.5000000 0.3107834 0.0000000), wk = 0.0026738 k( 233) = ( -0.4914770 0.3244955 -0.0000000), wk = 0.0026738 k( 234) = ( -0.4829540 0.3382076 -0.0000000), wk = 0.0026738 k( 235) = ( -0.4744311 0.3519197 -0.0000000), wk = 0.0026738 k( 236) = ( -0.4659081 0.3656318 -0.0000000), wk = 0.0026738 k( 237) = ( -0.4573851 0.3793439 -0.0000000), wk = 0.0026738 k( 238) = ( -0.4488621 0.3930560 -0.0000000), wk = 0.0026738 k( 239) = ( -0.4403391 0.4067681 -0.0000000), wk = 0.0026738 k( 240) = ( -0.4318162 0.4204802 -0.0000000), wk = 0.0026738 k( 241) = ( -0.4232932 0.4341922 -0.0000000), wk = 0.0026738 k( 242) = ( -0.4147702 0.4479043 -0.0000000), wk = 0.0026738 k( 243) = ( -0.4062472 0.4616164 -0.0000000), wk = 0.0026738 k( 244) = ( -0.3977242 0.4753285 -0.0000000), wk = 0.0026738 k( 245) = ( -0.3892012 0.4890406 -0.0000000), wk = 0.0026738 k( 246) = ( -0.3806783 0.5027527 -0.0000000), wk = 0.0026738 k( 247) = ( -0.3721553 0.5164648 -0.0000000), wk = 0.0026738 k( 248) = ( -0.3636323 0.5301769 -0.0000000), wk = 0.0026738 k( 249) = ( -0.3551093 0.5438890 -0.0000000), wk = 0.0026738 k( 250) = ( -0.3465863 0.5576011 -0.0000000), wk = 0.0026738 k( 251) = ( -0.3465863 0.5576011 -0.0000000), wk = 0.0026738 k( 252) = ( -0.3465863 0.5576011 0.0162620), wk = 0.0026738 k( 253) = ( -0.3465863 0.5576011 0.0325240), wk = 0.0026738 k( 254) = ( -0.3465863 0.5576011 0.0487860), wk = 0.0026738 k( 255) = ( -0.3465863 0.5576011 0.0650480), wk = 0.0026738 k( 256) = ( -0.3465863 0.5576011 0.0813100), wk = 0.0026738 k( 257) = ( -0.3465863 0.5576011 0.0975720), wk = 0.0026738 k( 258) = ( -0.3465863 0.5576011 0.1138340), wk = 0.0026738 k( 259) = ( -0.3465863 0.5576011 0.1300960), wk = 0.0026738 k( 260) = ( -0.3465863 0.5576011 0.1463580), wk = 0.0026738 k( 261) = ( -0.3465863 0.5576011 0.1626200), wk = 0.0026738 k( 262) = ( -0.3465863 0.5576011 0.1788820), wk = 0.0026738 k( 263) = ( -0.3465863 0.5576011 0.1951440), wk = 0.0026738 k( 264) = ( -0.3465863 0.5576011 0.2114060), wk = 0.0026738 k( 265) = ( -0.3465863 0.5576011 0.2276680), wk = 0.0026738 k( 266) = ( -0.3465863 0.5576011 0.2439300), wk = 0.0026738 k( 267) = ( -0.3465863 0.5576011 0.2601920), wk = 0.0026738 k( 268) = ( -0.3465863 0.5576011 0.2764540), wk = 0.0026738 k( 269) = ( -0.3465863 0.5576011 0.2927160), wk = 0.0026738 k( 270) = ( -0.3465863 0.5576011 0.3089780), wk = 0.0026738 k( 271) = ( -0.3465863 0.5576011 0.3252400), wk = 0.0026738 k( 272) = ( -0.3465863 0.5576011 0.3415020), wk = 0.0026738 k( 273) = ( -0.3465863 0.5576011 0.3577640), wk = 0.0026738 k( 274) = ( -0.3465863 0.5576011 0.3740260), wk = 0.0026738 k( 275) = ( -0.3465863 0.5576011 0.3902880), wk = 0.0026738 k( 276) = ( -0.3465863 0.5576011 0.4065500), wk = 0.0026738 k( 277) = ( -0.3465863 0.5576011 0.4228120), wk = 0.0026738 k( 278) = ( -0.3465863 0.5576011 0.4390740), wk = 0.0026738 k( 279) = ( -0.3465863 0.5576011 0.4553360), wk = 0.0026738 k( 280) = ( -0.3465863 0.5576011 0.4715980), wk = 0.0026738 k( 281) = ( -0.3465863 0.5576011 0.4878600), wk = 0.0026738 k( 282) = ( -0.3465863 0.5576011 0.5041220), wk = 0.0026738 k( 283) = ( -0.3465863 0.5576011 0.5203840), wk = 0.0026738 k( 284) = ( -0.3465863 0.5576011 0.5366460), wk = 0.0026738 k( 285) = ( -0.3465863 0.5576011 0.5366460), wk = 0.0026738 k( 286) = ( -0.3551093 0.5438890 0.5366460), wk = 0.0026738 k( 287) = ( -0.3636323 0.5301769 0.5366460), wk = 0.0026738 k( 288) = ( -0.3721553 0.5164648 0.5366460), wk = 0.0026738 k( 289) = ( -0.3806783 0.5027527 0.5366460), wk = 0.0026738 k( 290) = ( -0.3892012 0.4890406 0.5366460), wk = 0.0026738 k( 291) = ( -0.3977242 0.4753285 0.5366460), wk = 0.0026738 k( 292) = ( -0.4062472 0.4616164 0.5366460), wk = 0.0026738 k( 293) = ( -0.4147702 0.4479043 0.5366460), wk = 0.0026738 k( 294) = ( -0.4232932 0.4341922 0.5366460), wk = 0.0026738 k( 295) = ( -0.4318162 0.4204802 0.5366460), wk = 0.0026738 k( 296) = ( -0.4403391 0.4067681 0.5366460), wk = 0.0026738 k( 297) = ( -0.4488621 0.3930560 0.5366460), wk = 0.0026738 k( 298) = ( -0.4573851 0.3793439 0.5366460), wk = 0.0026738 k( 299) = ( -0.4659081 0.3656318 0.5366460), wk = 0.0026738 k( 300) = ( -0.4744311 0.3519197 0.5366460), wk = 0.0026738 k( 301) = ( -0.4829540 0.3382076 0.5366460), wk = 0.0026738 k( 302) = ( -0.4914770 0.3244955 0.5366460), wk = 0.0026738 k( 303) = ( -0.5000000 0.3107834 0.5366460), wk = 0.0026738 k( 304) = ( -0.5000000 0.3107834 0.5366460), wk = 0.0026738 k( 305) = ( -0.5000000 0.3107834 0.5203840), wk = 0.0026738 k( 306) = ( -0.5000000 0.3107834 0.5041220), wk = 0.0026738 k( 307) = ( -0.5000000 0.3107834 0.4878600), wk = 0.0026738 k( 308) = ( -0.5000000 0.3107834 0.4715980), wk = 0.0026738 k( 309) = ( -0.5000000 0.3107834 0.4553360), wk = 0.0026738 k( 310) = ( -0.5000000 0.3107834 0.4390740), wk = 0.0026738 k( 311) = ( -0.5000000 0.3107834 0.4228120), wk = 0.0026738 k( 312) = ( -0.5000000 0.3107834 0.4065500), wk = 0.0026738 k( 313) = ( -0.5000000 0.3107834 0.3902880), wk = 0.0026738 k( 314) = ( -0.5000000 0.3107834 0.3740260), wk = 0.0026738 k( 315) = ( -0.5000000 0.3107834 0.3577640), wk = 0.0026738 k( 316) = ( -0.5000000 0.3107834 0.3415020), wk = 0.0026738 k( 317) = ( -0.5000000 0.3107834 0.3252400), wk = 0.0026738 k( 318) = ( -0.5000000 0.3107834 0.3089780), wk = 0.0026738 k( 319) = ( -0.5000000 0.3107834 0.2927160), wk = 0.0026738 k( 320) = ( -0.5000000 0.3107834 0.2764540), wk = 0.0026738 k( 321) = ( -0.5000000 0.3107834 0.2601920), wk = 0.0026738 k( 322) = ( -0.5000000 0.3107834 0.2439300), wk = 0.0026738 k( 323) = ( -0.5000000 0.3107834 0.2276680), wk = 0.0026738 k( 324) = ( -0.5000000 0.3107834 0.2114060), wk = 0.0026738 k( 325) = ( -0.5000000 0.3107834 0.1951440), wk = 0.0026738 k( 326) = ( -0.5000000 0.3107834 0.1788820), wk = 0.0026738 k( 327) = ( -0.5000000 0.3107834 0.1626200), wk = 0.0026738 k( 328) = ( -0.5000000 0.3107834 0.1463580), wk = 0.0026738 k( 329) = ( -0.5000000 0.3107834 0.1300960), wk = 0.0026738 k( 330) = ( -0.5000000 0.3107834 0.1138340), wk = 0.0026738 k( 331) = ( -0.5000000 0.3107834 0.0975720), wk = 0.0026738 k( 332) = ( -0.5000000 0.3107834 0.0813100), wk = 0.0026738 k( 333) = ( -0.5000000 0.3107834 0.0650480), wk = 0.0026738 k( 334) = ( -0.5000000 0.3107834 0.0487860), wk = 0.0026738 k( 335) = ( -0.5000000 0.3107834 0.0325240), wk = 0.0026738 k( 336) = ( -0.5000000 0.3107834 0.0162620), wk = 0.0026738 k( 337) = ( -0.5000000 0.3107834 0.0000000), wk = 0.0026738 k( 338) = ( 0.0000000 0.0000000 0.5366460), wk = 0.0026738 k( 339) = ( -0.0138889 0.0086329 0.5366460), wk = 0.0026738 k( 340) = ( -0.0277778 0.0172657 0.5366460), wk = 0.0026738 k( 341) = ( -0.0416667 0.0258986 0.5366460), wk = 0.0026738 k( 342) = ( -0.0555556 0.0345315 0.5366460), wk = 0.0026738 k( 343) = ( -0.0694444 0.0431644 0.5366460), wk = 0.0026738 k( 344) = ( -0.0833333 0.0517972 0.5366460), wk = 0.0026738 k( 345) = ( -0.0972222 0.0604301 0.5366460), wk = 0.0026738 k( 346) = ( -0.1111111 0.0690630 0.5366460), wk = 0.0026738 k( 347) = ( -0.1250000 0.0776959 0.5366460), wk = 0.0026738 k( 348) = ( -0.1388889 0.0863287 0.5366460), wk = 0.0026738 k( 349) = ( -0.1527778 0.0949616 0.5366460), wk = 0.0026738 k( 350) = ( -0.1666667 0.1035945 0.5366460), wk = 0.0026738 k( 351) = ( -0.1805556 0.1122274 0.5366460), wk = 0.0026738 k( 352) = ( -0.1944444 0.1208602 0.5366460), wk = 0.0026738 k( 353) = ( -0.2083333 0.1294931 0.5366460), wk = 0.0026738 k( 354) = ( -0.2222222 0.1381260 0.5366460), wk = 0.0026738 k( 355) = ( -0.2361111 0.1467588 0.5366460), wk = 0.0026738 k( 356) = ( -0.2500000 0.1553917 0.5366460), wk = 0.0026738 k( 357) = ( -0.2638889 0.1640246 0.5366460), wk = 0.0026738 k( 358) = ( -0.2777778 0.1726575 0.5366460), wk = 0.0026738 k( 359) = ( -0.2916667 0.1812903 0.5366460), wk = 0.0026738 k( 360) = ( -0.3055556 0.1899232 0.5366460), wk = 0.0026738 k( 361) = ( -0.3194444 0.1985561 0.5366460), wk = 0.0026738 k( 362) = ( -0.3333333 0.2071890 0.5366460), wk = 0.0026738 k( 363) = ( -0.3472222 0.2158218 0.5366460), wk = 0.0026738 k( 364) = ( -0.3611111 0.2244547 0.5366460), wk = 0.0026738 k( 365) = ( -0.3750000 0.2330876 0.5366460), wk = 0.0026738 k( 366) = ( -0.3888889 0.2417204 0.5366460), wk = 0.0026738 k( 367) = ( -0.4027778 0.2503533 0.5366460), wk = 0.0026738 k( 368) = ( -0.4166667 0.2589862 0.5366460), wk = 0.0026738 k( 369) = ( -0.4305556 0.2676191 0.5366460), wk = 0.0026738 k( 370) = ( -0.4444444 0.2762519 0.5366460), wk = 0.0026738 k( 371) = ( -0.4583333 0.2848848 0.5366460), wk = 0.0026738 k( 372) = ( -0.4722222 0.2935177 0.5366460), wk = 0.0026738 k( 373) = ( -0.4861111 0.3021506 0.5366460), wk = 0.0026738 k( 374) = ( -0.5000000 0.3107834 0.5366460), wk = 0.0026738 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 2) = ( 0.0086647 0.0086647 -0.0000000), wk = 0.0026738 k( 3) = ( 0.0173293 0.0173293 -0.0000000), wk = 0.0026738 k( 4) = ( 0.0259940 0.0259940 -0.0000000), wk = 0.0026738 k( 5) = ( 0.0346586 0.0346586 0.0000000), wk = 0.0026738 k( 6) = ( 0.0433233 0.0433233 -0.0000000), wk = 0.0026738 k( 7) = ( 0.0519879 0.0519880 0.0000000), wk = 0.0026738 k( 8) = ( 0.0606526 0.0606526 0.0000000), wk = 0.0026738 k( 9) = ( 0.0693173 0.0693173 0.0000000), wk = 0.0026738 k( 10) = ( 0.0779819 0.0779819 0.0000000), wk = 0.0026738 k( 11) = ( 0.0866466 0.0866466 -0.0000000), wk = 0.0026738 k( 12) = ( 0.0953112 0.0953112 0.0000000), wk = 0.0026738 k( 13) = ( 0.1039759 0.1039759 0.0000000), wk = 0.0026738 k( 14) = ( 0.1126406 0.1126406 0.0000000), wk = 0.0026738 k( 15) = ( 0.1213052 0.1213052 0.0000000), wk = 0.0026738 k( 16) = ( 0.1299699 0.1299699 0.0000000), wk = 0.0026738 k( 17) = ( 0.1386345 0.1386345 0.0000000), wk = 0.0026738 k( 18) = ( 0.1472992 0.1472992 0.0000000), wk = 0.0026738 k( 19) = ( 0.1559638 0.1559638 0.0000000), wk = 0.0026738 k( 20) = ( 0.1646285 0.1646285 -0.0000000), wk = 0.0026738 k( 21) = ( 0.1732932 0.1732932 0.0000000), wk = 0.0026738 k( 22) = ( 0.1819578 0.1819578 0.0000000), wk = 0.0026738 k( 23) = ( 0.1906225 0.1906225 0.0000000), wk = 0.0026738 k( 24) = ( 0.1992871 0.1992871 0.0000000), wk = 0.0026738 k( 25) = ( 0.2079518 0.2079518 0.0000000), wk = 0.0026738 k( 26) = ( 0.2166165 0.2166165 -0.0000000), wk = 0.0026738 k( 27) = ( 0.2252811 0.2252811 0.0000000), wk = 0.0026738 k( 28) = ( 0.2339458 0.2339458 0.0000000), wk = 0.0026738 k( 29) = ( 0.2426104 0.2426104 0.0000000), wk = 0.0026738 k( 30) = ( 0.2512751 0.2512751 0.0000000), wk = 0.0026738 k( 31) = ( 0.2599398 0.2599398 0.0000000), wk = 0.0026738 k( 32) = ( 0.2686044 0.2686044 0.0000000), wk = 0.0026738 k( 33) = ( 0.2772691 0.2772691 0.0000000), wk = 0.0026738 k( 34) = ( 0.2859337 0.2859337 -0.0000000), wk = 0.0026738 k( 35) = ( 0.2945984 0.2945984 0.0000000), wk = 0.0026738 k( 36) = ( 0.3032630 0.3032630 -0.0000000), wk = 0.0026738 k( 37) = ( 0.3119277 0.3119277 0.0000000), wk = 0.0026738 k( 38) = ( 0.3205924 0.3205924 0.0000000), wk = 0.0026738 k( 39) = ( 0.3292570 0.3292570 -0.0000000), wk = 0.0026738 k( 40) = ( 0.3379217 0.3379217 0.0000000), wk = 0.0026738 k( 41) = ( 0.3465863 0.3465863 0.0000000), wk = 0.0026738 k( 42) = ( 0.3465863 0.3465863 0.0000000), wk = 0.0026738 k( 43) = ( 0.3300822 0.3538918 0.0000000), wk = 0.0026738 k( 44) = ( 0.3135781 0.3611972 -0.0000000), wk = 0.0026738 k( 45) = ( 0.2970740 0.3685026 0.0000000), wk = 0.0026738 k( 46) = ( 0.2805699 0.3758080 -0.0000000), wk = 0.0026738 k( 47) = ( 0.2640658 0.3831134 0.0000000), wk = 0.0026738 k( 48) = ( 0.2475617 0.3904188 0.0000000), wk = 0.0026738 k( 49) = ( 0.2310576 0.3977242 0.0000000), wk = 0.0026738 k( 50) = ( 0.2145535 0.4050296 -0.0000000), wk = 0.0026738 k( 51) = ( 0.1980493 0.4123350 -0.0000000), wk = 0.0026738 k( 52) = ( 0.1815452 0.4196405 0.0000000), wk = 0.0026738 k( 53) = ( 0.1650411 0.4269459 0.0000000), wk = 0.0026738 k( 54) = ( 0.1485370 0.4342513 -0.0000000), wk = 0.0026738 k( 55) = ( 0.1320329 0.4415567 0.0000000), wk = 0.0026738 k( 56) = ( 0.1155288 0.4488621 -0.0000000), wk = 0.0026738 k( 57) = ( 0.0990247 0.4561675 -0.0000000), wk = 0.0026738 k( 58) = ( 0.0825206 0.4634729 -0.0000000), wk = 0.0026738 k( 59) = ( 0.0660165 0.4707784 0.0000000), wk = 0.0026738 k( 60) = ( 0.0495123 0.4780838 0.0000000), wk = 0.0026738 k( 61) = ( 0.0330082 0.4853892 0.0000000), wk = 0.0026738 k( 62) = ( 0.0165041 0.4926946 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) = ( 0.0165041 0.4926946 0.5000000), wk = 0.0026738 k( 100) = ( 0.0330082 0.4853892 0.5000000), wk = 0.0026738 k( 101) = ( 0.0495123 0.4780838 0.5000000), wk = 0.0026738 k( 102) = ( 0.0660165 0.4707784 0.5000000), wk = 0.0026738 k( 103) = ( 0.0825206 0.4634729 0.5000000), wk = 0.0026738 k( 104) = ( 0.0990247 0.4561675 0.5000000), wk = 0.0026738 k( 105) = ( 0.1155288 0.4488621 0.5000000), wk = 0.0026738 k( 106) = ( 0.1320329 0.4415567 0.5000000), wk = 0.0026738 k( 107) = ( 0.1485370 0.4342513 0.5000000), wk = 0.0026738 k( 108) = ( 0.1650411 0.4269459 0.5000000), wk = 0.0026738 k( 109) = ( 0.1815452 0.4196405 0.5000000), wk = 0.0026738 k( 110) = ( 0.1980493 0.4123350 0.5000000), wk = 0.0026738 k( 111) = ( 0.2145535 0.4050296 0.5000000), wk = 0.0026738 k( 112) = ( 0.2310576 0.3977242 0.5000000), wk = 0.0026738 k( 113) = ( 0.2475617 0.3904188 0.5000000), wk = 0.0026738 k( 114) = ( 0.2640658 0.3831134 0.5000000), wk = 0.0026738 k( 115) = ( 0.2805699 0.3758080 0.5000000), wk = 0.0026738 k( 116) = ( 0.2970740 0.3685026 0.5000000), wk = 0.0026738 k( 117) = ( 0.3135781 0.3611972 0.5000000), wk = 0.0026738 k( 118) = ( 0.3300822 0.3538918 0.5000000), wk = 0.0026738 k( 119) = ( 0.3465863 0.3465863 0.5000000), wk = 0.0026738 k( 120) = ( 0.3465863 0.3465863 0.5000000), wk = 0.0026738 k( 121) = ( 0.3379217 0.3379217 0.5000000), wk = 0.0026738 k( 122) = ( 0.3292570 0.3292570 0.5000000), wk = 0.0026738 k( 123) = ( 0.3205924 0.3205924 0.5000000), wk = 0.0026738 k( 124) = ( 0.3119277 0.3119277 0.5000000), wk = 0.0026738 k( 125) = ( 0.3032630 0.3032630 0.5000000), wk = 0.0026738 k( 126) = ( 0.2945984 0.2945984 0.5000000), wk = 0.0026738 k( 127) = ( 0.2859337 0.2859337 0.5000000), wk = 0.0026738 k( 128) = ( 0.2772691 0.2772691 0.5000000), wk = 0.0026738 k( 129) = ( 0.2686044 0.2686044 0.5000000), wk = 0.0026738 k( 130) = ( 0.2599398 0.2599398 0.5000000), wk = 0.0026738 k( 131) = ( 0.2512751 0.2512751 0.5000000), wk = 0.0026738 k( 132) = ( 0.2426104 0.2426104 0.5000000), wk = 0.0026738 k( 133) = ( 0.2339458 0.2339458 0.5000000), wk = 0.0026738 k( 134) = ( 0.2252811 0.2252811 0.5000000), wk = 0.0026738 k( 135) = ( 0.2166165 0.2166165 0.5000000), wk = 0.0026738 k( 136) = ( 0.2079518 0.2079518 0.5000000), wk = 0.0026738 k( 137) = ( 0.1992871 0.1992871 0.5000000), wk = 0.0026738 k( 138) = ( 0.1906225 0.1906225 0.5000000), wk = 0.0026738 k( 139) = ( 0.1819578 0.1819578 0.5000000), wk = 0.0026738 k( 140) = ( 0.1732932 0.1732932 0.5000000), wk = 0.0026738 k( 141) = ( 0.1646285 0.1646285 0.5000000), wk = 0.0026738 k( 142) = ( 0.1559638 0.1559638 0.5000000), wk = 0.0026738 k( 143) = ( 0.1472992 0.1472992 0.5000000), wk = 0.0026738 k( 144) = ( 0.1386345 0.1386345 0.5000000), wk = 0.0026738 k( 145) = ( 0.1299699 0.1299699 0.5000000), wk = 0.0026738 k( 146) = ( 0.1213052 0.1213052 0.5000000), wk = 0.0026738 k( 147) = ( 0.1126406 0.1126406 0.5000000), wk = 0.0026738 k( 148) = ( 0.1039759 0.1039759 0.5000000), wk = 0.0026738 k( 149) = ( 0.0953112 0.0953112 0.5000000), wk = 0.0026738 k( 150) = ( 0.0866466 0.0866466 0.5000000), wk = 0.0026738 k( 151) = ( 0.0779819 0.0779819 0.5000000), wk = 0.0026738 k( 152) = ( 0.0693173 0.0693173 0.5000000), wk = 0.0026738 k( 153) = ( 0.0606526 0.0606526 0.5000000), wk = 0.0026738 k( 154) = ( 0.0519879 0.0519880 0.5000000), wk = 0.0026738 k( 155) = ( 0.0433233 0.0433233 0.5000000), wk = 0.0026738 k( 156) = ( 0.0346586 0.0346586 0.5000000), wk = 0.0026738 k( 157) = ( 0.0259940 0.0259940 0.5000000), wk = 0.0026738 k( 158) = ( 0.0173293 0.0173293 0.5000000), wk = 0.0026738 k( 159) = ( 0.0086647 0.0086647 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) = ( -0.4914770 0.5085230 -0.0000000), wk = 0.0026738 k( 234) = ( -0.4829540 0.5170460 0.0000000), wk = 0.0026738 k( 235) = ( -0.4744311 0.5255689 -0.0000000), wk = 0.0026738 k( 236) = ( -0.4659081 0.5340919 -0.0000000), wk = 0.0026738 k( 237) = ( -0.4573851 0.5426149 0.0000000), wk = 0.0026738 k( 238) = ( -0.4488621 0.5511379 -0.0000000), wk = 0.0026738 k( 239) = ( -0.4403391 0.5596609 -0.0000000), wk = 0.0026738 k( 240) = ( -0.4318162 0.5681838 -0.0000000), wk = 0.0026738 k( 241) = ( -0.4232932 0.5767068 -0.0000000), wk = 0.0026738 k( 242) = ( -0.4147702 0.5852298 -0.0000000), wk = 0.0026738 k( 243) = ( -0.4062472 0.5937528 0.0000000), wk = 0.0026738 k( 244) = ( -0.3977242 0.6022758 -0.0000000), wk = 0.0026738 k( 245) = ( -0.3892012 0.6107987 0.0000000), wk = 0.0026738 k( 246) = ( -0.3806783 0.6193217 -0.0000000), wk = 0.0026738 k( 247) = ( -0.3721553 0.6278447 0.0000000), wk = 0.0026738 k( 248) = ( -0.3636323 0.6363677 0.0000000), wk = 0.0026738 k( 249) = ( -0.3551093 0.6448907 -0.0000000), wk = 0.0026738 k( 250) = ( -0.3465863 0.6534137 -0.0000000), wk = 0.0026738 k( 251) = ( -0.3465863 0.6534137 -0.0000000), wk = 0.0026738 k( 252) = ( -0.3465863 0.6534137 0.0151515), wk = 0.0026738 k( 253) = ( -0.3465863 0.6534137 0.0303030), wk = 0.0026738 k( 254) = ( -0.3465863 0.6534137 0.0454545), wk = 0.0026738 k( 255) = ( -0.3465863 0.6534137 0.0606061), wk = 0.0026738 k( 256) = ( -0.3465863 0.6534137 0.0757576), wk = 0.0026738 k( 257) = ( -0.3465863 0.6534137 0.0909091), wk = 0.0026738 k( 258) = ( -0.3465863 0.6534137 0.1060606), wk = 0.0026738 k( 259) = ( -0.3465863 0.6534137 0.1212121), wk = 0.0026738 k( 260) = ( -0.3465863 0.6534137 0.1363636), wk = 0.0026738 k( 261) = ( -0.3465863 0.6534137 0.1515151), wk = 0.0026738 k( 262) = ( -0.3465863 0.6534137 0.1666667), wk = 0.0026738 k( 263) = ( -0.3465863 0.6534137 0.1818182), wk = 0.0026738 k( 264) = ( -0.3465863 0.6534137 0.1969697), wk = 0.0026738 k( 265) = ( -0.3465863 0.6534137 0.2121212), wk = 0.0026738 k( 266) = ( -0.3465863 0.6534137 0.2272727), wk = 0.0026738 k( 267) = ( -0.3465863 0.6534137 0.2424242), wk = 0.0026738 k( 268) = ( -0.3465863 0.6534137 0.2575758), wk = 0.0026738 k( 269) = ( -0.3465863 0.6534137 0.2727273), wk = 0.0026738 k( 270) = ( -0.3465863 0.6534137 0.2878788), wk = 0.0026738 k( 271) = ( -0.3465863 0.6534137 0.3030303), wk = 0.0026738 k( 272) = ( -0.3465863 0.6534137 0.3181818), wk = 0.0026738 k( 273) = ( -0.3465863 0.6534137 0.3333333), wk = 0.0026738 k( 274) = ( -0.3465863 0.6534137 0.3484848), wk = 0.0026738 k( 275) = ( -0.3465863 0.6534137 0.3636364), wk = 0.0026738 k( 276) = ( -0.3465863 0.6534137 0.3787879), wk = 0.0026738 k( 277) = ( -0.3465863 0.6534137 0.3939394), wk = 0.0026738 k( 278) = ( -0.3465863 0.6534137 0.4090909), wk = 0.0026738 k( 279) = ( -0.3465863 0.6534137 0.4242424), wk = 0.0026738 k( 280) = ( -0.3465863 0.6534137 0.4393939), wk = 0.0026738 k( 281) = ( -0.3465863 0.6534137 0.4545454), wk = 0.0026738 k( 282) = ( -0.3465863 0.6534137 0.4696970), wk = 0.0026738 k( 283) = ( -0.3465863 0.6534137 0.4848485), wk = 0.0026738 k( 284) = ( -0.3465863 0.6534137 0.5000000), wk = 0.0026738 k( 285) = ( -0.3465863 0.6534137 0.5000000), wk = 0.0026738 k( 286) = ( -0.3551093 0.6448907 0.5000000), wk = 0.0026738 k( 287) = ( -0.3636323 0.6363677 0.5000000), wk = 0.0026738 k( 288) = ( -0.3721553 0.6278447 0.5000000), wk = 0.0026738 k( 289) = ( -0.3806783 0.6193217 0.5000000), wk = 0.0026738 k( 290) = ( -0.3892012 0.6107987 0.5000000), wk = 0.0026738 k( 291) = ( -0.3977242 0.6022758 0.5000000), wk = 0.0026738 k( 292) = ( -0.4062472 0.5937528 0.5000000), wk = 0.0026738 k( 293) = ( -0.4147702 0.5852298 0.5000000), wk = 0.0026738 k( 294) = ( -0.4232932 0.5767068 0.5000000), wk = 0.0026738 k( 295) = ( -0.4318162 0.5681838 0.5000000), wk = 0.0026738 k( 296) = ( -0.4403391 0.5596609 0.5000000), wk = 0.0026738 k( 297) = ( -0.4488621 0.5511379 0.5000000), wk = 0.0026738 k( 298) = ( -0.4573851 0.5426149 0.5000000), wk = 0.0026738 k( 299) = ( -0.4659081 0.5340919 0.5000000), wk = 0.0026738 k( 300) = ( -0.4744311 0.5255689 0.5000000), wk = 0.0026738 k( 301) = ( -0.4829540 0.5170460 0.5000000), wk = 0.0026738 k( 302) = ( -0.4914770 0.5085230 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: 79465 G-vectors FFT dimensions: ( 60, 60, 54) Smooth grid: 35167 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 212, 58) NL pseudopotentials 0.36 Mb ( 106, 220) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1655) G-vector shells 0.01 Mb ( 814) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.75 Mb ( 212, 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 44.2 secs Computing kpt #: 2 total cpu time spent up to now is 46.8 secs Computing kpt #: 3 total cpu time spent up to now is 49.5 secs Computing kpt #: 4 total cpu time spent up to now is 52.1 secs Computing kpt #: 5 total cpu time spent up to now is 54.7 secs Computing kpt #: 6 total cpu time spent up to now is 57.6 secs Computing kpt #: 7 total cpu time spent up to now is 60.5 secs Computing kpt #: 8 total cpu time spent up to now is 63.2 secs Computing kpt #: 9 total cpu time spent up to now is 66.0 secs Computing kpt #: 10 total cpu time spent up to now is 68.8 secs Computing kpt #: 11 total cpu time spent up to now is 71.5 secs Computing kpt #: 12 total cpu time spent up to now is 74.4 secs Computing kpt #: 13 total cpu time spent up to now is 77.9 secs Computing kpt #: 14 total cpu time spent up to now is 80.5 secs Computing kpt #: 15 total cpu time spent up to now is 83.4 secs Computing kpt #: 16 total cpu time spent up to now is 86.1 secs Computing kpt #: 17 total cpu time spent up to now is 88.8 secs Computing kpt #: 18 total cpu time spent up to now is 91.7 secs Computing kpt #: 19 total cpu time spent up to now is 95.0 secs Computing kpt #: 20 total cpu time spent up to now is 98.3 secs Computing kpt #: 21 total cpu time spent up to now is 101.5 secs Computing kpt #: 22 total cpu time spent up to now is 104.8 secs Computing kpt #: 23 total cpu time spent up to now is 108.1 secs Computing kpt #: 24 total cpu time spent up to now is 111.5 secs Computing kpt #: 25 total cpu time spent up to now is 114.7 secs Computing kpt #: 26 total cpu time spent up to now is 118.2 secs Computing kpt #: 27 total cpu time spent up to now is 121.4 secs Computing kpt #: 28 total cpu time spent up to now is 124.8 secs Computing kpt #: 29 total cpu time spent up to now is 127.9 secs Computing kpt #: 30 total cpu time spent up to now is 130.6 secs Computing kpt #: 31 total cpu time spent up to now is 133.5 secs Computing kpt #: 32 total cpu time spent up to now is 136.6 secs Computing kpt #: 33 total cpu time spent up to now is 139.6 secs Computing kpt #: 34 total cpu time spent up to now is 142.8 secs Computing kpt #: 35 total cpu time spent up to now is 146.2 secs Computing kpt #: 36 total cpu time spent up to now is 149.4 secs Computing kpt #: 37 total cpu time spent up to now is 152.9 secs Computing kpt #: 38 total cpu time spent up to now is 157.3 secs Computing kpt #: 39 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 163.1 secs Computing kpt #: 40 total cpu time spent up to now is 166.1 secs Computing kpt #: 41 total cpu time spent up to now is 169.4 secs Computing kpt #: 42 total cpu time spent up to now is 172.2 secs Computing kpt #: 43 total cpu time spent up to now is 175.6 secs Computing kpt #: 44 total cpu time spent up to now is 178.8 secs Computing kpt #: 45 total cpu time spent up to now is 182.1 secs Computing kpt #: 46 total cpu time spent up to now is 185.3 secs Computing kpt #: 47 total cpu time spent up to now is 188.5 secs Computing kpt #: 48 total cpu time spent up to now is 192.1 secs Computing kpt #: 49 total cpu time spent up to now is 195.7 secs Computing kpt #: 50 total cpu time spent up to now is 200.5 secs Computing kpt #: 51 total cpu time spent up to now is 204.9 secs Computing kpt #: 52 total cpu time spent up to now is 208.7 secs Computing kpt #: 53 total cpu time spent up to now is 212.8 secs Computing kpt #: 54 total cpu time spent up to now is 215.9 secs Computing kpt #: 55 total cpu time spent up to now is 219.0 secs Computing kpt #: 56 total cpu time spent up to now is 222.0 secs Computing kpt #: 57 total cpu time spent up to now is 224.7 secs Computing kpt #: 58 total cpu time spent up to now is 227.4 secs Computing kpt #: 59 total cpu time spent up to now is 230.0 secs Computing kpt #: 60 total cpu time spent up to now is 232.6 secs Computing kpt #: 61 total cpu time spent up to now is 235.3 secs Computing kpt #: 62 total cpu time spent up to now is 237.8 secs Computing kpt #: 63 total cpu time spent up to now is 240.2 secs Computing kpt #: 64 total cpu time spent up to now is 242.8 secs Computing kpt #: 65 total cpu time spent up to now is 245.4 secs Computing kpt #: 66 total cpu time spent up to now is 248.0 secs Computing kpt #: 67 total cpu time spent up to now is 250.6 secs Computing kpt #: 68 total cpu time spent up to now is 253.3 secs Computing kpt #: 69 total cpu time spent up to now is 256.0 secs Computing kpt #: 70 total cpu time spent up to now is 258.8 secs Computing kpt #: 71 total cpu time spent up to now is 261.9 secs Computing kpt #: 72 total cpu time spent up to now is 264.8 secs Computing kpt #: 73 total cpu time spent up to now is 267.8 secs Computing kpt #: 74 total cpu time spent up to now is 271.2 secs Computing kpt #: 75 total cpu time spent up to now is 274.3 secs Computing kpt #: 76 total cpu time spent up to now is 277.4 secs Computing kpt #: 77 total cpu time spent up to now is 281.2 secs Computing kpt #: 78 total cpu time spent up to now is 285.6 secs Computing kpt #: 79 total cpu time spent up to now is 290.0 secs Computing kpt #: 80 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 295.3 secs Computing kpt #: 81 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 300.7 secs Computing kpt #: 82 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 306.1 secs Computing kpt #: 83 total cpu time spent up to now is 310.4 secs Computing kpt #: 84 total cpu time spent up to now is 314.2 secs Computing kpt #: 85 total cpu time spent up to now is 317.3 secs Computing kpt #: 86 total cpu time spent up to now is 320.3 secs Computing kpt #: 87 total cpu time spent up to now is 323.3 secs Computing kpt #: 88 total cpu time spent up to now is 326.2 secs Computing kpt #: 89 total cpu time spent up to now is 329.2 secs Computing kpt #: 90 total cpu time spent up to now is 332.0 secs Computing kpt #: 91 total cpu time spent up to now is 334.7 secs Computing kpt #: 92 total cpu time spent up to now is 337.3 secs Computing kpt #: 93 total cpu time spent up to now is 340.0 secs Computing kpt #: 94 total cpu time spent up to now is 342.7 secs Computing kpt #: 95 total cpu time spent up to now is 345.4 secs Computing kpt #: 96 total cpu time spent up to now is 348.2 secs Computing kpt #: 97 total cpu time spent up to now is 351.7 secs Computing kpt #: 98 total cpu time spent up to now is 355.1 secs Computing kpt #: 99 total cpu time spent up to now is 358.3 secs Computing kpt #: 100 total cpu time spent up to now is 361.5 secs Computing kpt #: 101 total cpu time spent up to now is 366.1 secs Computing kpt #: 102 total cpu time spent up to now is 369.4 secs Computing kpt #: 103 total cpu time spent up to now is 373.0 secs Computing kpt #: 104 total cpu time spent up to now is 376.2 secs Computing kpt #: 105 total cpu time spent up to now is 379.5 secs Computing kpt #: 106 total cpu time spent up to now is 382.8 secs Computing kpt #: 107 total cpu time spent up to now is 386.4 secs Computing kpt #: 108 total cpu time spent up to now is 389.7 secs Computing kpt #: 109 total cpu time spent up to now is 392.9 secs Computing kpt #: 110 total cpu time spent up to now is 396.2 secs Computing kpt #: 111 total cpu time spent up to now is 399.4 secs Computing kpt #: 112 total cpu time spent up to now is 402.9 secs Computing kpt #: 113 total cpu time spent up to now is 406.4 secs Computing kpt #: 114 total cpu time spent up to now is 409.6 secs Computing kpt #: 115 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 414.8 secs Computing kpt #: 116 total cpu time spent up to now is 418.1 secs Computing kpt #: 117 total cpu time spent up to now is 422.2 secs Computing kpt #: 118 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 427.3 secs Computing kpt #: 119 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 432.4 secs Computing kpt #: 120 total cpu time spent up to now is 436.9 secs Computing kpt #: 121 total cpu time spent up to now is 440.7 secs Computing kpt #: 122 total cpu time spent up to now is 444.3 secs Computing kpt #: 123 total cpu time spent up to now is 447.8 secs Computing kpt #: 124 total cpu time spent up to now is 451.2 secs Computing kpt #: 125 total cpu time spent up to now is 454.5 secs Computing kpt #: 126 total cpu time spent up to now is 458.1 secs Computing kpt #: 127 total cpu time spent up to now is 461.8 secs Computing kpt #: 128 total cpu time spent up to now is 465.4 secs Computing kpt #: 129 total cpu time spent up to now is 468.9 secs Computing kpt #: 130 total cpu time spent up to now is 472.5 secs Computing kpt #: 131 total cpu time spent up to now is 476.2 secs Computing kpt #: 132 total cpu time spent up to now is 480.6 secs Computing kpt #: 133 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 485.6 secs Computing kpt #: 134 total cpu time spent up to now is 488.9 secs Computing kpt #: 135 total cpu time spent up to now is 493.3 secs Computing kpt #: 136 total cpu time spent up to now is 496.9 secs Computing kpt #: 137 total cpu time spent up to now is 501.5 secs Computing kpt #: 138 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 506.5 secs Computing kpt #: 139 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 511.4 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 516.4 secs Computing kpt #: 141 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 521.5 secs Computing kpt #: 142 total cpu time spent up to now is 525.0 secs Computing kpt #: 143 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 531.6 secs Computing kpt #: 144 total cpu time spent up to now is 535.9 secs Computing kpt #: 145 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 540.9 secs Computing kpt #: 146 total cpu time spent up to now is 544.4 secs Computing kpt #: 147 total cpu time spent up to now is 548.0 secs Computing kpt #: 148 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 553.0 secs Computing kpt #: 149 total cpu time spent up to now is 557.4 secs Computing kpt #: 150 total cpu time spent up to now is 561.9 secs Computing kpt #: 151 total cpu time spent up to now is 566.3 secs Computing kpt #: 152 total cpu time spent up to now is 569.6 secs Computing kpt #: 153 total cpu time spent up to now is 573.2 secs Computing kpt #: 154 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 578.4 secs Computing kpt #: 155 total cpu time spent up to now is 582.7 secs Computing kpt #: 156 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 589.2 secs Computing kpt #: 157 total cpu time spent up to now is 592.9 secs Computing kpt #: 158 total cpu time spent up to now is 596.5 secs Computing kpt #: 159 total cpu time spent up to now is 599.9 secs Computing kpt #: 160 total cpu time spent up to now is 602.3 secs Computing kpt #: 161 total cpu time spent up to now is 604.6 secs Computing kpt #: 162 total cpu time spent up to now is 607.5 secs Computing kpt #: 163 total cpu time spent up to now is 610.3 secs Computing kpt #: 164 total cpu time spent up to now is 613.0 secs Computing kpt #: 165 total cpu time spent up to now is 615.6 secs Computing kpt #: 166 total cpu time spent up to now is 618.2 secs Computing kpt #: 167 total cpu time spent up to now is 620.7 secs Computing kpt #: 168 total cpu time spent up to now is 623.1 secs Computing kpt #: 169 total cpu time spent up to now is 625.7 secs Computing kpt #: 170 total cpu time spent up to now is 628.0 secs Computing kpt #: 171 total cpu time spent up to now is 630.4 secs Computing kpt #: 172 total cpu time spent up to now is 632.8 secs Computing kpt #: 173 total cpu time spent up to now is 635.1 secs Computing kpt #: 174 total cpu time spent up to now is 637.7 secs Computing kpt #: 175 total cpu time spent up to now is 640.5 secs Computing kpt #: 176 total cpu time spent up to now is 643.1 secs Computing kpt #: 177 total cpu time spent up to now is 646.3 secs Computing kpt #: 178 total cpu time spent up to now is 649.6 secs Computing kpt #: 179 total cpu time spent up to now is 652.6 secs Computing kpt #: 180 total cpu time spent up to now is 655.7 secs Computing kpt #: 181 total cpu time spent up to now is 658.5 secs Computing kpt #: 182 total cpu time spent up to now is 661.3 secs Computing kpt #: 183 total cpu time spent up to now is 664.3 secs Computing kpt #: 184 total cpu time spent up to now is 667.2 secs Computing kpt #: 185 total cpu time spent up to now is 669.9 secs Computing kpt #: 186 total cpu time spent up to now is 672.6 secs Computing kpt #: 187 total cpu time spent up to now is 675.5 secs Computing kpt #: 188 total cpu time spent up to now is 678.1 secs Computing kpt #: 189 total cpu time spent up to now is 680.6 secs Computing kpt #: 190 total cpu time spent up to now is 683.1 secs Computing kpt #: 191 total cpu time spent up to now is 685.6 secs Computing kpt #: 192 total cpu time spent up to now is 688.1 secs Computing kpt #: 193 total cpu time spent up to now is 690.6 secs Computing kpt #: 194 total cpu time spent up to now is 693.1 secs Computing kpt #: 195 total cpu time spent up to now is 695.6 secs Computing kpt #: 196 total cpu time spent up to now is 698.2 secs Computing kpt #: 197 total cpu time spent up to now is 700.8 secs Computing kpt #: 198 total cpu time spent up to now is 703.4 secs Computing kpt #: 199 total cpu time spent up to now is 705.9 secs Computing kpt #: 200 total cpu time spent up to now is 708.5 secs Computing kpt #: 201 total cpu time spent up to now is 711.1 secs Computing kpt #: 202 total cpu time spent up to now is 713.8 secs Computing kpt #: 203 total cpu time spent up to now is 716.5 secs Computing kpt #: 204 total cpu time spent up to now is 719.1 secs Computing kpt #: 205 total cpu time spent up to now is 722.2 secs Computing kpt #: 206 total cpu time spent up to now is 725.7 secs Computing kpt #: 207 total cpu time spent up to now is 728.6 secs Computing kpt #: 208 total cpu time spent up to now is 731.5 secs Computing kpt #: 209 total cpu time spent up to now is 734.5 secs Computing kpt #: 210 total cpu time spent up to now is 737.5 secs Computing kpt #: 211 total cpu time spent up to now is 740.4 secs Computing kpt #: 212 total cpu time spent up to now is 744.4 secs Computing kpt #: 213 total cpu time spent up to now is 747.4 secs Computing kpt #: 214 total cpu time spent up to now is 750.4 secs Computing kpt #: 215 total cpu time spent up to now is 753.3 secs Computing kpt #: 216 total cpu time spent up to now is 756.3 secs Computing kpt #: 217 total cpu time spent up to now is 759.4 secs Computing kpt #: 218 total cpu time spent up to now is 762.3 secs Computing kpt #: 219 total cpu time spent up to now is 765.3 secs Computing kpt #: 220 total cpu time spent up to now is 768.7 secs Computing kpt #: 221 total cpu time spent up to now is 771.6 secs Computing kpt #: 222 total cpu time spent up to now is 774.6 secs Computing kpt #: 223 total cpu time spent up to now is 777.5 secs Computing kpt #: 224 total cpu time spent up to now is 780.6 secs Computing kpt #: 225 total cpu time spent up to now is 783.7 secs Computing kpt #: 226 total cpu time spent up to now is 786.8 secs Computing kpt #: 227 total cpu time spent up to now is 790.1 secs Computing kpt #: 228 total cpu time spent up to now is 793.4 secs Computing kpt #: 229 total cpu time spent up to now is 796.7 secs Computing kpt #: 230 total cpu time spent up to now is 799.7 secs Computing kpt #: 231 total cpu time spent up to now is 802.8 secs Computing kpt #: 232 total cpu time spent up to now is 806.0 secs Computing kpt #: 233 total cpu time spent up to now is 809.1 secs Computing kpt #: 234 total cpu time spent up to now is 811.9 secs Computing kpt #: 235 total cpu time spent up to now is 814.9 secs Computing kpt #: 236 total cpu time spent up to now is 818.3 secs Computing kpt #: 237 total cpu time spent up to now is 821.9 secs Computing kpt #: 238 total cpu time spent up to now is 826.2 secs Computing kpt #: 239 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 831.4 secs Computing kpt #: 240 total cpu time spent up to now is 835.1 secs Computing kpt #: 241 total cpu time spent up to now is 838.4 secs Computing kpt #: 242 total cpu time spent up to now is 841.6 secs Computing kpt #: 243 total cpu time spent up to now is 844.7 secs Computing kpt #: 244 total cpu time spent up to now is 848.0 secs Computing kpt #: 245 total cpu time spent up to now is 851.0 secs Computing kpt #: 246 total cpu time spent up to now is 854.0 secs Computing kpt #: 247 total cpu time spent up to now is 857.0 secs Computing kpt #: 248 total cpu time spent up to now is 859.9 secs Computing kpt #: 249 total cpu time spent up to now is 862.7 secs Computing kpt #: 250 total cpu time spent up to now is 865.6 secs Computing kpt #: 251 total cpu time spent up to now is 868.4 secs Computing kpt #: 252 total cpu time spent up to now is 871.3 secs Computing kpt #: 253 total cpu time spent up to now is 874.4 secs Computing kpt #: 254 total cpu time spent up to now is 877.3 secs Computing kpt #: 255 total cpu time spent up to now is 880.5 secs Computing kpt #: 256 total cpu time spent up to now is 884.6 secs Computing kpt #: 257 total cpu time spent up to now is 888.4 secs Computing kpt #: 258 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 894.0 secs Computing kpt #: 259 total cpu time spent up to now is 897.8 secs Computing kpt #: 260 total cpu time spent up to now is 901.0 secs Computing kpt #: 261 total cpu time spent up to now is 904.0 secs Computing kpt #: 262 total cpu time spent up to now is 906.5 secs Computing kpt #: 263 total cpu time spent up to now is 909.0 secs Computing kpt #: 264 total cpu time spent up to now is 911.4 secs Computing kpt #: 265 total cpu time spent up to now is 914.0 secs Computing kpt #: 266 total cpu time spent up to now is 916.4 secs Computing kpt #: 267 total cpu time spent up to now is 918.8 secs Computing kpt #: 268 total cpu time spent up to now is 921.4 secs Computing kpt #: 269 total cpu time spent up to now is 924.1 secs Computing kpt #: 270 total cpu time spent up to now is 926.7 secs Computing kpt #: 271 total cpu time spent up to now is 929.5 secs Computing kpt #: 272 total cpu time spent up to now is 932.2 secs Computing kpt #: 273 total cpu time spent up to now is 935.0 secs Computing kpt #: 274 total cpu time spent up to now is 937.8 secs Computing kpt #: 275 total cpu time spent up to now is 940.5 secs Computing kpt #: 276 total cpu time spent up to now is 943.1 secs Computing kpt #: 277 total cpu time spent up to now is 945.6 secs Computing kpt #: 278 total cpu time spent up to now is 948.5 secs Computing kpt #: 279 total cpu time spent up to now is 951.4 secs Computing kpt #: 280 total cpu time spent up to now is 954.3 secs Computing kpt #: 281 total cpu time spent up to now is 956.9 secs Computing kpt #: 282 total cpu time spent up to now is 960.0 secs Computing kpt #: 283 total cpu time spent up to now is 963.2 secs Computing kpt #: 284 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 968.3 secs Computing kpt #: 285 total cpu time spent up to now is 972.0 secs Computing kpt #: 286 total cpu time spent up to now is 975.7 secs Computing kpt #: 287 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 980.8 secs Computing kpt #: 288 total cpu time spent up to now is 984.4 secs Computing kpt #: 289 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 989.8 secs Computing kpt #: 290 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 995.0 secs Computing kpt #: 291 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1000.3 secs Computing kpt #: 292 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1005.5 secs Computing kpt #: 293 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1010.8 secs Computing kpt #: 294 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1016.0 secs Computing kpt #: 295 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1021.3 secs Computing kpt #: 296 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1026.4 secs Computing kpt #: 297 total cpu time spent up to now is 1030.0 secs Computing kpt #: 298 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1035.1 secs Computing kpt #: 299 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1040.3 secs Computing kpt #: 300 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1045.3 secs Computing kpt #: 301 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1050.3 secs Computing kpt #: 302 total cpu time spent up to now is 1053.8 secs Computing kpt #: 303 total cpu time spent up to now is 1056.1 secs Computing kpt #: 304 total cpu time spent up to now is 1058.6 secs Computing kpt #: 305 total cpu time spent up to now is 1062.1 secs Computing kpt #: 306 total cpu time spent up to now is 1064.9 secs Computing kpt #: 307 total cpu time spent up to now is 1068.4 secs Computing kpt #: 308 total cpu time spent up to now is 1071.4 secs Computing kpt #: 309 total cpu time spent up to now is 1074.0 secs Computing kpt #: 310 total cpu time spent up to now is 1077.0 secs Computing kpt #: 311 total cpu time spent up to now is 1079.9 secs Computing kpt #: 312 total cpu time spent up to now is 1082.4 secs Computing kpt #: 313 total cpu time spent up to now is 1085.1 secs Computing kpt #: 314 total cpu time spent up to now is 1087.7 secs Computing kpt #: 315 total cpu time spent up to now is 1090.2 secs Computing kpt #: 316 total cpu time spent up to now is 1092.7 secs Computing kpt #: 317 total cpu time spent up to now is 1095.3 secs Computing kpt #: 318 total cpu time spent up to now is 1097.7 secs Computing kpt #: 319 total cpu time spent up to now is 1100.2 secs Computing kpt #: 320 total cpu time spent up to now is 1102.7 secs Computing kpt #: 321 total cpu time spent up to now is 1105.4 secs Computing kpt #: 322 total cpu time spent up to now is 1108.1 secs Computing kpt #: 323 total cpu time spent up to now is 1110.9 secs Computing kpt #: 324 total cpu time spent up to now is 1113.9 secs Computing kpt #: 325 total cpu time spent up to now is 1116.9 secs Computing kpt #: 326 total cpu time spent up to now is 1120.5 secs Computing kpt #: 327 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1125.9 secs Computing kpt #: 328 total cpu time spent up to now is 1130.3 secs Computing kpt #: 329 total cpu time spent up to now is 1133.9 secs Computing kpt #: 330 total cpu time spent up to now is 1137.8 secs Computing kpt #: 331 total cpu time spent up to now is 1141.1 secs Computing kpt #: 332 total cpu time spent up to now is 1144.1 secs Computing kpt #: 333 total cpu time spent up to now is 1147.3 secs Computing kpt #: 334 total cpu time spent up to now is 1150.6 secs Computing kpt #: 335 total cpu time spent up to now is 1153.9 secs Computing kpt #: 336 total cpu time spent up to now is 1157.2 secs Computing kpt #: 337 total cpu time spent up to now is 1161.0 secs Computing kpt #: 338 total cpu time spent up to now is 1163.3 secs Computing kpt #: 339 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1168.2 secs Computing kpt #: 340 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1173.1 secs Computing kpt #: 341 total cpu time spent up to now is 1176.5 secs Computing kpt #: 342 total cpu time spent up to now is 1179.8 secs Computing kpt #: 343 total cpu time spent up to now is 1184.4 secs Computing kpt #: 344 total cpu time spent up to now is 1188.5 secs Computing kpt #: 345 total cpu time spent up to now is 1192.1 secs Computing kpt #: 346 total cpu time spent up to now is 1195.7 secs Computing kpt #: 347 total cpu time spent up to now is 1199.3 secs Computing kpt #: 348 total cpu time spent up to now is 1202.6 secs Computing kpt #: 349 total cpu time spent up to now is 1206.1 secs Computing kpt #: 350 total cpu time spent up to now is 1209.5 secs Computing kpt #: 351 total cpu time spent up to now is 1212.8 secs Computing kpt #: 352 total cpu time spent up to now is 1216.0 secs Computing kpt #: 353 total cpu time spent up to now is 1219.6 secs Computing kpt #: 354 total cpu time spent up to now is 1222.9 secs Computing kpt #: 355 total cpu time spent up to now is 1226.2 secs Computing kpt #: 356 total cpu time spent up to now is 1229.7 secs Computing kpt #: 357 total cpu time spent up to now is 1233.3 secs Computing kpt #: 358 total cpu time spent up to now is 1236.6 secs Computing kpt #: 359 total cpu time spent up to now is 1240.2 secs Computing kpt #: 360 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1245.4 secs Computing kpt #: 361 total cpu time spent up to now is 1249.8 secs Computing kpt #: 362 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1255.0 secs Computing kpt #: 363 total cpu time spent up to now is 1258.3 secs Computing kpt #: 364 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1263.4 secs Computing kpt #: 365 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1268.8 secs Computing kpt #: 366 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1273.8 secs Computing kpt #: 367 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1279.0 secs Computing kpt #: 368 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1284.2 secs Computing kpt #: 369 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1289.5 secs Computing kpt #: 370 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1294.8 secs Computing kpt #: 371 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1299.9 secs Computing kpt #: 372 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1305.0 secs Computing kpt #: 373 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1310.3 secs Computing kpt #: 374 total cpu time spent up to now is 1312.5 secs ethr = 2.08E-11, avg # of iterations = 57.0 total cpu time spent up to now is 1312.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4369 PWs) bands (ev): -13.7609 -13.7609 -13.1788 -13.1788 -10.9512 -10.9512 -9.2511 -9.2511 -9.1986 -9.1986 -9.0977 -9.0977 -3.8040 -3.8040 -3.4261 -3.4261 -2.9758 -2.9758 -0.9270 -0.9270 -0.2201 -0.2201 -0.2102 -0.2102 0.2635 0.2635 0.7893 0.7893 1.2570 1.2570 2.2160 2.2160 2.6508 2.6508 3.1481 3.1481 3.3441 3.3441 3.5397 3.5397 3.7632 3.7632 4.2041 4.2041 4.5496 4.5496 5.3467 5.3467 10.4553 10.4553 11.6932 11.6932 11.9525 11.9525 12.9616 12.9616 13.1606 13.1606 k = 0.0087 0.0139-0.0000 ( 4369 PWs) bands (ev): -13.7605 -13.7605 -13.1788 -13.1788 -10.9506 -10.9506 -9.2870 -9.2829 -9.1690 -9.1644 -9.0974 -9.0971 -3.8069 -3.8069 -3.4207 -3.4202 -2.9749 -2.9747 -0.9271 -0.9266 -0.2215 -0.2211 -0.2107 -0.2104 0.2569 0.2589 0.7965 0.7991 1.2556 1.2562 2.2139 2.2148 2.6504 2.6511 3.1462 3.1470 3.3443 3.3443 3.5367 3.5372 3.7625 3.7630 4.2042 4.2043 4.5489 4.5491 5.3459 5.3463 10.4583 10.4583 11.6958 11.6961 11.9528 11.9531 12.9592 12.9611 13.1618 13.1646 k = 0.0173 0.0279-0.0000 ( 4361 PWs) bands (ev): -13.7596 -13.7595 -13.1789 -13.1789 -10.9488 -10.9488 -9.3400 -9.3358 -9.1225 -9.1171 -9.0962 -9.0957 -3.8149 -3.8149 -3.4043 -3.4034 -2.9721 -2.9717 -0.9271 -0.9260 -0.2253 -0.2245 -0.2118 -0.2113 0.2408 0.2443 0.8196 0.8244 1.2518 1.2531 2.2085 2.2101 2.6497 2.6511 3.1413 3.1429 3.3448 3.3449 3.5281 3.5291 3.7611 3.7620 4.2049 4.2051 4.5468 4.5474 5.3440 5.3447 10.4673 10.4673 11.7039 11.7043 11.9541 11.9547 12.9543 12.9578 13.1679 13.1733 k = 0.0260 0.0418-0.0000 ( 4363 PWs) bands (ev): -13.7579 -13.7579 -13.1790 -13.1790 -10.9459 -10.9459 -9.3964 -9.3923 -9.0946 -9.0934 -9.0757 -9.0703 -3.8265 -3.8265 -3.3786 -3.3773 -2.9673 -2.9667 -0.9270 -0.9254 -0.2315 -0.2303 -0.2136 -0.2129 0.2183 0.2228 0.8557 0.8622 1.2458 1.2477 2.1997 2.2021 2.6486 2.6508 3.1336 3.1361 3.3457 3.3458 3.5140 3.5155 3.7589 3.7602 4.2060 4.2063 4.5434 4.5443 5.3410 5.3420 10.4822 10.4822 11.7172 11.7179 11.9562 11.9571 12.9477 12.9524 13.1780 13.1855 k = 0.0347 0.0558-0.0000 ( 4367 PWs) bands (ev): -13.7556 -13.7556 -13.1791 -13.1791 -10.9418 -10.9418 -9.4547 -9.4508 -9.0916 -9.0903 -9.0315 -9.0257 -3.8402 -3.8401 -3.3454 -3.3437 -2.9607 -2.9598 -0.9273 -0.9251 -0.2402 -0.2386 -0.2164 -0.2154 0.1931 0.1983 0.9016 0.9093 1.2374 1.2400 2.1875 2.1907 2.6472 2.6502 3.1235 3.1267 3.3470 3.3471 3.4945 3.4964 3.7559 3.7576 4.2076 4.2080 4.5387 4.5398 5.3368 5.3383 10.5028 10.5029 11.7356 11.7365 11.9592 11.9604 12.9401 12.9457 13.1904 13.1997 k = 0.0433 0.0697-0.0000 ( 4367 PWs) bands (ev): -13.7527 -13.7527 -13.1793 -13.1793 -10.9365 -10.9364 -9.5144 -9.5108 -9.0879 -9.0863 -8.9895 -8.9834 -3.8543 -3.8540 -3.3061 -3.3041 -2.9520 -2.9510 -0.9281 -0.9253 -0.2514 -0.2493 -0.2203 -0.2190 0.1685 0.1739 0.9544 0.9631 1.2267 1.2299 2.1720 2.1759 2.6452 2.6491 3.1113 3.1154 3.3487 3.3488 3.4699 3.4722 3.7521 3.7542 4.2096 4.2101 4.5323 4.5337 5.3317 5.3335 10.5291 10.5293 11.7587 11.7600 11.9629 11.9644 12.9325 12.9385 13.2033 13.2140 k = 0.0520 0.0836-0.0000 ( 4375 PWs) bands (ev): -13.7492 -13.7491 -13.1796 -13.1796 -10.9300 -10.9299 -9.5754 -9.5720 -9.0834 -9.0815 -8.9502 -8.9439 -3.8677 -3.8673 -3.2621 -3.2599 -2.9415 -2.9403 -0.9302 -0.9267 -0.2650 -0.2626 -0.2251 -0.2236 0.1469 0.1522 1.0121 1.0214 1.2136 1.2174 2.1532 2.1578 2.6426 2.6473 3.0976 3.1026 3.3507 3.3509 3.4405 3.4431 3.7475 3.7500 4.2122 4.2127 4.5243 4.5259 5.3258 5.3279 10.5609 10.5610 11.7864 11.7879 11.9673 11.9691 12.9254 12.9317 13.2142 13.2259 k = 0.0607 0.0976-0.0000 ( 4371 PWs) bands (ev): -13.7450 -13.7450 -13.1799 -13.1799 -10.9223 -10.9223 -9.6374 -9.6342 -9.0781 -9.0759 -8.9138 -8.9072 -3.8796 -3.8790 -3.2143 -3.2119 -2.9290 -2.9276 -0.9339 -0.9298 -0.2812 -0.2784 -0.2308 -0.2290 0.1300 0.1351 1.0731 1.0829 1.1981 1.2024 2.1311 2.1363 2.6391 2.6448 3.0830 3.0888 3.3530 3.3534 3.4067 3.4094 3.7422 3.7449 4.2152 4.2159 4.5145 4.5163 5.3190 5.3215 10.5978 10.5980 11.8182 11.8200 11.9722 11.9743 12.9195 12.9260 13.2206 13.2328 k = 0.0693 0.1115-0.0000 ( 4373 PWs) bands (ev): -13.7403 -13.7402 -13.1802 -13.1802 -10.9134 -10.9134 -9.7001 -9.6971 -9.0720 -9.0695 -8.8803 -8.8734 -3.8893 -3.8886 -3.1636 -3.1610 -2.9146 -2.9130 -0.9400 -0.9352 -0.3000 -0.2968 -0.2366 -0.2346 0.1188 0.1236 1.1364 1.1464 1.1803 1.1850 2.1058 2.1115 2.6347 2.6414 3.0679 3.0744 3.3532 3.3549 3.3711 3.3729 3.7361 3.7391 4.2188 4.2195 4.5027 4.5046 5.3116 5.3144 10.6395 10.6398 11.8536 11.8558 11.9774 11.9799 12.9153 12.9218 13.2202 13.2325 k = 0.0780 0.1255-0.0000 ( 4373 PWs) bands (ev): -13.7350 -13.7349 -13.1806 -13.1806 -10.9034 -10.9033 -9.7635 -9.7607 -9.0651 -9.0623 -8.8499 -8.8428 -3.8966 -3.8957 -3.1104 -3.1077 -2.8983 -2.8965 -0.9490 -0.9435 -0.3214 -0.3178 -0.2416 -0.2395 0.1136 0.1181 1.1592 1.1648 1.2012 1.2119 2.0773 2.0834 2.6292 2.6369 3.0528 3.0601 3.3232 3.3272 3.3622 3.3626 3.7292 3.7325 4.2229 4.2237 4.4888 4.4909 5.3035 5.3067 10.6859 10.6862 11.8925 11.8949 11.9828 11.9856 12.9133 12.9196 13.2125 13.2244 k = 0.0866 0.1394-0.0000 ( 4375 PWs) bands (ev): -13.7291 -13.7290 -13.1810 -13.1810 -10.8921 -10.8920 -9.8273 -9.8247 -9.0575 -9.0544 -8.8226 -8.8153 -3.9012 -3.9001 -3.0553 -3.0524 -2.8801 -2.8781 -0.9614 -0.9553 -0.3455 -0.3414 -0.2446 -0.2424 0.1144 0.1187 1.1361 1.1421 1.2667 1.2776 2.0457 2.0523 2.6225 2.6313 3.0381 3.0462 3.2784 3.2824 3.3661 3.3662 3.7216 3.7251 4.2275 4.2283 4.4727 4.4749 5.2948 5.2983 10.7365 10.7369 11.9343 11.9370 11.9883 11.9914 12.9139 12.9200 13.1981 13.2095 k = 0.0953 0.1533-0.0000 ( 4375 PWs) bands (ev): -13.7226 -13.7226 -13.1815 -13.1815 -10.8796 -10.8795 -9.8914 -9.8890 -9.0492 -9.0458 -8.7985 -8.7910 -3.9029 -3.9017 -2.9986 -2.9956 -2.8601 -2.8578 -0.9776 -0.9708 -0.3723 -0.3678 -0.2446 -0.2425 0.1208 0.1249 1.1101 1.1166 1.3326 1.3437 2.0112 2.0181 2.6147 2.6245 3.0241 3.0328 3.2304 3.2346 3.3711 3.3711 3.7132 3.7170 4.2327 4.2336 4.4544 4.4567 5.2855 5.2894 10.7911 10.7915 11.9786 11.9818 11.9936 11.9971 12.9174 12.9233 13.1788 13.1895 k = 0.1040 0.1673-0.0000 ( 4371 PWs) bands (ev): -13.7157 -13.7156 -13.1820 -13.1820 -10.8659 -10.8657 -9.9557 -9.9535 -9.0401 -9.0365 -8.7776 -8.7699 -3.9017 -3.9003 -2.9407 -2.9376 -2.8381 -2.8357 -0.9975 -0.9902 -0.4018 -0.3969 -0.2407 -0.2386 0.1324 0.1363 1.0813 1.0882 1.3985 1.4098 1.9740 1.9812 2.6057 2.6165 3.0106 3.0198 3.1804 3.1849 3.3770 3.3770 3.7042 3.7082 4.2384 4.2394 4.4337 4.4361 5.2756 5.2798 10.8491 10.8497 11.9984 12.0024 12.0256 12.0289 12.9242 12.9297 13.1561 13.1663 k = 0.1126 0.1812-0.0000 ( 4383 PWs) bands (ev): -13.7083 -13.7082 -13.1825 -13.1825 -10.8509 -10.8508 -10.0200 -10.0180 -9.0305 -9.0265 -8.7598 -8.7520 -3.8977 -3.8962 -2.8819 -2.8787 -2.8143 -2.8116 -1.0210 -1.0131 -0.4341 -0.4289 -0.2325 -0.2305 0.1486 0.1526 1.0495 1.0568 1.4639 1.4754 1.9342 1.9418 2.5956 2.6073 2.9970 3.0063 3.1301 3.1350 3.3837 3.3837 3.6944 3.6987 4.2448 4.2458 4.4108 4.4132 5.2652 5.2697 10.9104 10.9111 12.0028 12.0071 12.0744 12.0781 12.9343 12.9395 13.1314 13.1411 k = 0.1213 0.1952-0.0000 ( 4379 PWs) bands (ev): -13.7004 -13.7003 -13.1831 -13.1831 -10.8347 -10.8346 -10.0843 -10.0824 -9.0202 -9.0159 -8.7452 -8.7372 -3.8909 -3.8893 -2.8224 -2.8192 -2.7886 -2.7858 -1.0475 -1.0393 -0.4692 -0.4636 -0.2199 -0.2180 0.1693 0.1733 1.0147 1.0225 1.5287 1.5403 1.8923 1.9001 2.5846 2.5970 2.9810 2.9899 3.0822 3.0880 3.3915 3.3915 3.6840 3.6884 4.2517 4.2529 4.3856 4.3881 5.2540 5.2588 10.9745 10.9753 12.0064 12.0112 12.1253 12.1294 12.9478 12.9525 13.1059 13.1150 k = 0.1300 0.2091-0.0000 ( 4379 PWs) bands (ev): -13.6921 -13.6920 -13.1837 -13.1837 -10.8173 -10.8171 -10.1483 -10.1465 -9.0093 -9.0048 -8.7337 -8.7256 -3.8816 -3.8798 -2.7625 -2.7611 -2.7600 -2.7574 -1.0766 -1.0679 -0.5071 -0.5011 -0.2031 -0.2013 0.1942 0.1983 0.9768 0.9849 1.5925 1.6042 1.8485 1.8566 2.5726 2.5857 2.9572 2.9647 3.0427 3.0503 3.4003 3.4003 3.6729 3.6776 4.2594 4.2606 4.3583 4.3608 5.2421 5.2472 11.0409 11.0419 12.0093 12.0145 12.1781 12.1825 12.9645 12.9687 13.0803 13.0888 k = 0.1386 0.2230-0.0000 ( 4375 PWs) bands (ev): -13.6834 -13.6833 -13.1843 -13.1843 -10.7986 -10.7984 -10.2120 -10.2104 -8.9979 -8.9931 -8.7251 -8.7169 -3.8698 -3.8680 -2.7319 -2.7287 -2.7024 -2.6991 -1.1074 -1.0985 -0.5478 -0.5414 -0.1825 -0.1807 0.2231 0.2273 0.9357 0.9441 1.6552 1.6670 1.8031 1.8115 2.5599 2.5736 2.9196 2.9256 3.0179 3.0274 3.4102 3.4102 3.6612 3.6661 4.2677 4.2689 4.3290 4.3315 5.2294 5.2347 11.1094 11.1105 12.0112 12.0168 12.2328 12.2375 12.9838 12.9869 13.0561 13.0636 k = 0.1473 0.2370-0.0000 ( 4387 PWs) bands (ev): -13.6743 -13.6742 -13.1850 -13.1850 -10.7786 -10.7784 -10.2752 -10.2737 -8.9860 -8.9810 -8.7194 -8.7111 -3.8558 -3.8539 -2.7008 -2.6974 -2.6424 -2.6391 -1.1392 -1.1302 -0.5912 -0.5846 -0.1585 -0.1567 0.2559 0.2602 0.8912 0.8999 1.7165 1.7284 1.7566 1.7652 2.5465 2.5606 2.8716 2.8769 3.0049 3.0154 3.4213 3.4213 3.6490 3.6541 4.2766 4.2780 4.2977 4.3003 5.2157 5.2213 11.1796 11.1809 12.0121 12.0182 12.2894 12.2944 13.0005 13.0013 13.0399 13.0437 k = 0.1560 0.2509-0.0000 ( 4387 PWs) bands (ev): -13.6649 -13.6648 -13.1857 -13.1857 -10.7574 -10.7572 -10.3379 -10.3366 -8.9737 -8.9684 -8.7164 -8.7081 -3.8399 -3.8380 -2.6679 -2.6644 -2.5826 -2.5793 -1.1715 -1.1623 -0.6374 -0.6304 -0.1318 -0.1299 0.2924 0.2970 0.8433 0.8523 1.7093 1.7181 1.7763 1.7882 2.5325 2.5470 2.8196 2.8247 2.9978 3.0086 3.4338 3.4338 3.6362 3.6415 4.2648 4.2672 4.2864 4.2877 5.2010 5.2068 11.2512 11.2526 12.0120 12.0185 12.3481 12.3534 12.9906 12.9973 13.0487 13.0508 k = 0.1646 0.2649-0.0000 ( 4383 PWs) bands (ev): -13.6552 -13.6551 -13.1864 -13.1864 -10.7349 -10.7346 -10.4000 -10.3988 -8.9611 -8.9555 -8.7161 -8.7077 -3.8224 -3.8205 -2.6334 -2.6296 -2.5232 -2.5200 -1.2034 -1.1941 -0.6862 -0.6789 -0.1027 -0.1008 0.3328 0.3376 0.7919 0.8011 1.6616 1.6706 1.8344 1.8464 2.5178 2.5325 2.7669 2.7719 2.9936 3.0044 3.4476 3.4476 3.6231 3.6285 4.2302 4.2327 4.2969 4.2983 5.1853 5.1913 11.3237 11.3253 12.0109 12.0179 12.4088 12.4144 12.9685 12.9759 13.0743 13.0770 k = 0.1733 0.2788-0.0000 ( 4383 PWs) bands (ev): -13.6453 -13.6452 -13.1871 -13.1871 -10.7112 -10.7108 -10.4613 -10.4602 -8.9481 -8.9423 -8.7182 -8.7098 -3.8036 -3.8017 -2.5971 -2.5931 -2.4645 -2.4613 -1.2345 -1.2252 -0.7375 -0.7299 -0.0719 -0.0699 0.3768 0.3819 0.7370 0.7464 1.6138 1.6231 1.8906 1.9026 2.5023 2.5170 2.7152 2.7201 2.9910 3.0018 3.4629 3.4630 3.6095 3.6151 4.1943 4.1967 4.3081 4.3095 5.1683 5.1745 11.3968 11.3986 12.0089 12.0164 12.4717 12.4776 12.9449 12.9521 13.1053 13.1077 k = 0.1820 0.2927-0.0000 ( 4383 PWs) bands (ev): -13.6351 -13.6350 -13.1878 -13.1878 -10.6861 -10.6858 -10.5218 -10.5208 -8.9349 -8.9288 -8.7225 -8.7142 -3.7839 -3.7820 -2.5592 -2.5550 -2.4065 -2.4035 -1.2642 -1.2548 -0.7911 -0.7833 -0.0396 -0.0376 0.4243 0.4297 0.6786 0.6881 1.5663 1.5757 1.9449 1.9570 2.4855 2.4999 2.6659 2.6705 2.9893 3.0000 3.4797 3.4799 3.5956 3.6014 4.1571 4.1595 4.3201 4.3216 5.1502 5.1566 11.4704 11.4724 12.0062 12.0142 12.5368 12.5431 12.9213 12.9281 13.1388 13.1409 k = 0.1906 0.3067-0.0000 ( 4373 PWs) bands (ev): -13.6248 -13.6247 -13.1886 -13.1886 -10.6598 -10.6594 -10.5814 -10.5805 -8.9215 -8.9153 -8.7290 -8.7207 -3.7635 -3.7617 -2.5196 -2.5153 -2.3496 -2.3466 -1.2920 -1.2827 -0.8469 -0.8388 -0.0062 -0.0041 0.4752 0.4809 0.6166 0.6262 1.5193 1.5289 1.9972 2.0093 2.4666 2.4803 2.6205 2.6246 2.9882 2.9987 3.4982 3.4984 3.5816 3.5874 4.1188 4.1213 4.3330 4.3345 5.1309 5.1375 11.5441 11.5463 12.0028 12.0112 12.6038 12.6106 12.8985 12.9048 13.1739 13.1756 k = 0.1993 0.3206-0.0000 ( 4373 PWs) bands (ev): -13.6143 -13.6142 -13.1893 -13.1893 -10.6402 -10.6393 -10.6321 -10.6317 -8.9081 -8.9016 -8.7374 -8.7292 -3.7429 -3.7411 -2.4785 -2.4740 -2.2938 -2.2910 -1.3175 -1.3082 -0.9047 -0.8964 0.0279 0.0301 0.5294 0.5353 0.5511 0.5608 1.4731 1.4829 2.0474 2.0596 2.4446 2.4569 2.5809 2.5836 2.9873 2.9975 3.5181 3.5185 3.5675 3.5734 4.0797 4.0821 4.3467 4.3482 5.1104 5.1171 11.6177 11.6201 11.9989 12.0078 12.6723 12.6797 12.8769 12.8825 13.2099 13.2112 k = 0.2080 0.3346-0.0000 ( 4377 PWs) bands (ev): -13.6037 -13.6036 -13.1901 -13.1900 -10.6977 -10.6970 -10.6033 -10.6029 -8.8947 -8.8880 -8.7476 -8.7394 -3.7223 -3.7205 -2.4358 -2.4312 -2.2395 -2.2367 -1.3403 -1.3310 -0.9641 -0.9556 0.0625 0.0649 0.4823 0.4919 0.5865 0.5927 1.4278 1.4378 2.0956 2.1078 2.4183 2.4283 2.5484 2.5492 2.9864 2.9962 3.5382 3.5396 3.5551 3.5602 4.0399 4.0422 4.3612 4.3628 5.0886 5.0954 11.6909 11.6936 11.9947 12.0041 12.7400 12.7488 12.8589 12.8630 13.2461 13.2471 k = 0.2166 0.3485-0.0000 ( 4373 PWs) bands (ev): -13.5930 -13.5929 -13.1908 -13.1908 -10.7542 -10.7536 -10.5732 -10.5727 -8.8814 -8.8744 -8.7593 -8.7512 -3.7021 -3.7004 -2.3917 -2.3869 -2.1866 -2.1841 -1.3600 -1.3508 -1.0249 -1.0162 0.0975 0.1000 0.4103 0.4198 0.6463 0.6528 1.3835 1.3937 2.1418 2.1539 2.3875 2.3949 2.5218 2.5232 2.9851 2.9945 3.5368 3.5431 3.5660 3.5663 3.9995 4.0018 4.3765 4.3782 5.0657 5.0726 11.7636 11.7665 11.9903 12.0002 12.7915 12.8027 12.8595 12.8611 13.2820 13.2828 k = 0.2253 0.3624-0.0000 ( 4375 PWs) bands (ev): -13.5823 -13.5822 -13.1915 -13.1915 -10.8096 -10.8090 -10.5418 -10.5412 -8.8682 -8.8611 -8.7724 -8.7645 -3.6827 -3.6810 -2.3463 -2.3414 -2.1355 -2.1331 -1.3763 -1.3671 -1.0867 -1.0779 0.1326 0.1353 0.3352 0.3447 0.7085 0.7153 1.3403 1.3507 2.1860 2.1981 2.3530 2.3583 2.5005 2.5038 2.9833 2.9923 3.5235 3.5300 3.5907 3.5910 3.9588 3.9610 4.3928 4.3945 5.0416 5.0486 11.8356 11.8387 11.9860 11.9963 12.7932 12.8021 12.9121 12.9159 13.3170 13.3176 k = 0.2339 0.3764-0.0000 ( 4385 PWs) bands (ev): -13.5717 -13.5716 -13.1922 -13.1922 -10.8637 -10.8631 -10.5092 -10.5085 -8.8553 -8.8480 -8.7868 -8.7790 -3.6642 -3.6626 -2.2997 -2.2946 -2.0864 -2.0841 -1.3889 -1.3799 -1.1492 -1.1402 0.1677 0.1706 0.2573 0.2667 0.7728 0.7799 1.2983 1.3087 2.2282 2.2403 2.3167 2.3203 2.4837 2.4882 2.9807 2.9891 3.5100 3.5165 3.6178 3.6182 3.9178 3.9200 4.4099 4.4116 5.0164 5.0235 11.9066 11.9100 11.9818 11.9925 12.7768 12.7844 12.9844 12.9895 13.3502 13.3513 k = 0.2426 0.3903-0.0000 ( 4379 PWs) bands (ev): -13.5611 -13.5610 -13.1929 -13.1929 -10.9165 -10.9160 -10.4753 -10.4746 -8.8429 -8.8354 -8.8022 -8.7945 -3.6470 -3.6455 -2.2519 -2.2467 -2.0393 -2.0372 -1.3977 -1.3887 -1.2118 -1.2027 0.1767 0.1860 0.2028 0.2057 0.8389 0.8462 1.2573 1.2678 2.2687 2.2799 2.2805 2.2828 2.4702 2.4753 2.9772 2.9850 3.4969 3.5033 3.6468 3.6473 3.8769 3.8790 4.4278 4.4296 4.9902 4.9974 11.9762 11.9771 11.9807 11.9893 12.7580 12.7649 13.0604 13.0661 13.3227 13.3333 k = 0.2513 0.4043-0.0000 ( 4375 PWs) bands (ev): -13.5506 -13.5504 -13.1935 -13.1935 -10.9680 -10.9676 -10.4402 -10.4394 -8.8309 -8.8232 -8.8184 -8.8109 -3.6312 -3.6298 -2.2033 -2.1981 -1.9945 -1.9926 -1.4023 -1.3935 -1.2741 -1.2649 0.0940 0.1031 0.2374 0.2406 0.9063 0.9138 1.2172 1.2279 2.2436 2.2453 2.3076 2.3196 2.4589 2.4642 2.9724 2.9795 3.4845 3.4908 3.6775 3.6782 3.8362 3.8382 4.4465 4.4484 4.9631 4.9703 11.9742 11.9858 12.0446 12.0485 12.7392 12.7458 13.1369 13.1431 13.2630 13.2727 k = 0.2599 0.4182-0.0000 ( 4367 PWs) bands (ev): -13.5402 -13.5401 -13.1941 -13.1941 -11.0180 -11.0177 -10.4039 -10.4030 -8.8354 -8.8281 -8.8195 -8.8117 -3.6171 -3.6157 -2.1542 -2.1489 -1.9520 -1.9503 -1.4029 -1.3941 -1.3354 -1.3261 0.0093 0.0182 0.2717 0.2750 0.9748 0.9825 1.1780 1.1888 2.2084 2.2096 2.3449 2.3569 2.4493 2.4546 2.9663 2.9726 3.4728 3.4789 3.7099 3.7107 3.7958 3.7977 4.4661 4.4680 4.9352 4.9424 11.9711 11.9831 12.1106 12.1148 12.7214 12.7277 13.1986 13.2075 13.2129 13.2193 k = 0.2686 0.4321-0.0000 ( 4367 PWs) bands (ev): -13.5299 -13.5298 -13.1946 -13.1946 -11.0667 -11.0664 -10.3664 -10.3655 -8.8530 -8.8458 -8.8089 -8.8010 -3.6048 -3.6035 -2.1051 -2.0998 -1.9120 -1.9105 -1.4013 -1.3928 -1.3906 -1.3855 -0.0771 -0.0684 0.3054 0.3088 1.0439 1.0518 1.1394 1.1503 2.1746 2.1754 2.3810 2.3929 2.4410 2.4460 2.9586 2.9641 3.4620 3.4679 3.7436 3.7447 3.7562 3.7579 4.4864 4.4884 4.9065 4.9138 11.9684 11.9809 12.1736 12.1781 12.7055 12.7116 13.1325 13.1411 13.2848 13.2917 k = 0.2773 0.4461-0.0000 ( 4371 PWs) bands (ev): -13.5199 -13.5198 -13.1951 -13.1951 -11.1139 -11.1137 -10.3278 -10.3268 -8.8709 -8.8640 -8.7991 -8.7910 -3.5943 -3.5930 -2.0568 -2.0515 -1.8744 -1.8731 -1.4521 -1.4421 -1.3908 -1.3829 -0.1649 -0.1565 0.3383 0.3419 1.1013 1.1105 1.1151 1.1214 2.1424 2.1430 2.4157 2.4276 2.4341 2.4386 2.9492 2.9537 3.4523 3.4580 3.7166 3.7183 3.7796 3.7807 4.5075 4.5096 4.8773 4.8845 11.9662 11.9790 12.2322 12.2370 12.6928 12.6987 13.0651 13.0732 13.3512 13.3581 k = 0.2859 0.4600-0.0000 ( 4375 PWs) bands (ev): -13.5101 -13.5100 -13.1955 -13.1955 -11.1596 -11.1594 -10.2881 -10.2870 -8.8892 -8.8824 -8.7903 -8.7821 -3.5857 -3.5845 -2.0107 -2.0055 -1.8392 -1.8380 -1.5040 -1.4939 -1.3792 -1.3714 -0.2538 -0.2456 0.3703 0.3741 1.0635 1.0745 1.1827 1.1908 2.1119 2.1124 2.4272 2.4314 2.4504 2.4620 2.9381 2.9415 3.4437 3.4491 3.6783 3.6798 3.8167 3.8180 4.5292 4.5314 4.8476 4.8548 11.9644 11.9775 12.2846 12.2896 12.6853 12.6910 12.9977 13.0054 13.4070 13.4134 k = 0.2946 0.4740-0.0000 ( 4379 PWs) bands (ev): -13.5006 -13.5005 -13.1959 -13.1959 -11.2037 -11.2035 -10.2473 -10.2461 -8.9076 -8.9011 -8.7826 -8.7743 -3.5791 -3.5779 -1.9693 -1.9644 -1.8063 -1.8052 -1.5486 -1.5381 -1.3640 -1.3564 -0.3435 -0.3355 0.4012 0.4051 1.0257 1.0369 1.2515 1.2598 2.0833 2.0837 2.4220 2.4254 2.4836 2.4952 2.9251 2.9274 3.4363 3.4414 3.6410 3.6424 3.8552 3.8566 4.5515 4.5538 4.8175 4.8247 11.9628 11.9762 12.3277 12.3327 12.6859 12.6913 12.9313 12.9385 13.4484 13.4537 k = 0.3033 0.4879-0.0000 ( 4377 PWs) bands (ev): -13.4914 -13.4913 -13.1962 -13.1962 -11.2462 -11.2461 -10.2055 -10.2042 -8.9261 -8.9198 -8.7761 -8.7677 -3.5742 -3.5731 -1.9371 -1.9324 -1.7755 -1.7744 -1.5810 -1.5702 -1.3455 -1.3383 -0.4336 -0.4259 0.4309 0.4350 0.9878 0.9990 1.3195 1.3279 2.0565 2.0568 2.4174 2.4199 2.5164 2.5278 2.9103 2.9115 3.4301 3.4348 3.6049 3.6060 3.8950 3.8966 4.5743 4.5767 4.7872 4.7944 11.9614 11.9749 12.3586 12.3632 12.6980 12.7027 12.8667 12.8735 13.4768 13.4809 k = 0.3119 0.5018-0.0000 ( 4378 PWs) bands (ev): -13.4825 -13.4824 -13.1964 -13.1964 -11.2872 -11.2870 -10.1627 -10.1613 -8.9445 -8.9384 -8.7709 -8.7625 -3.5711 -3.5700 -1.9201 -1.9156 -1.7464 -1.7455 -1.5949 -1.5839 -1.3244 -1.3175 -0.5239 -0.5165 0.4592 0.4634 0.9495 0.9608 1.3863 1.3948 2.0316 2.0319 2.4134 2.4151 2.5488 2.5600 2.8937 2.8938 3.4250 3.4294 3.5700 3.5709 3.9361 3.9379 4.5976 4.6000 4.7569 4.7640 11.9597 11.9733 12.3754 12.3793 12.7232 12.7269 12.8049 12.8111 13.4966 13.4998 k = 0.3206 0.5158-0.0000 ( 4378 PWs) bands (ev): -13.4740 -13.4739 -13.1965 -13.1965 -11.3264 -11.3263 -10.1190 -10.1175 -8.9627 -8.9568 -8.7672 -8.7588 -3.5696 -3.5685 -1.9223 -1.9177 -1.7189 -1.7180 -1.5860 -1.5751 -1.3011 -1.2946 -0.6141 -0.6069 0.4860 0.4902 0.9106 0.9220 1.4516 1.4601 2.0086 2.0090 2.4100 2.4107 2.5809 2.5920 2.8743 2.8757 3.4211 3.4252 3.5366 3.5372 3.9783 3.9803 4.6211 4.6237 4.7266 4.7336 11.9576 11.9711 12.3792 12.3823 12.7458 12.7518 12.7605 12.7636 13.5110 13.5136 k = 0.3293 0.5297-0.0000 ( 4376 PWs) bands (ev): -13.4658 -13.4657 -13.1966 -13.1965 -11.3640 -11.3640 -10.0744 -10.0728 -8.9806 -8.9750 -8.7651 -8.7567 -3.5696 -3.5686 -1.9412 -1.9364 -1.6926 -1.6919 -1.5566 -1.5460 -1.2762 -1.2700 -0.7039 -0.6971 0.5112 0.5154 0.8709 0.8825 1.5150 1.5235 1.9876 1.9880 2.4067 2.4070 2.6129 2.6237 2.8535 2.8562 3.4181 3.4220 3.5047 3.5051 4.0216 4.0237 4.6448 4.6475 4.6965 4.7034 11.9546 11.9679 12.3731 12.3755 12.6919 12.6972 12.8059 12.8079 13.5060 13.5177 k = 0.3379 0.5437-0.0000 ( 4378 PWs) bands (ev): -13.4580 -13.4579 -13.1965 -13.1965 -11.3999 -11.3999 -10.0291 -10.0273 -8.9981 -8.9927 -8.7647 -8.7563 -3.5709 -3.5699 -1.9702 -1.9651 -1.6676 -1.6669 -1.5132 -1.5028 -1.2501 -1.2442 -0.7931 -0.7865 0.5345 0.5388 0.8302 0.8419 1.5763 1.5847 1.9684 1.9688 2.4030 2.4044 2.6447 2.6552 2.8315 2.8356 3.4158 3.4196 3.4745 3.4746 4.0658 4.0681 4.6668 4.6687 4.6709 4.6741 11.9502 11.9629 12.3604 12.3622 12.6428 12.6472 12.8569 12.8581 13.4115 13.4231 k = 0.3466 0.5576-0.0000 ( 4376 PWs) bands (ev): -13.4506 -13.4505 -13.1964 -13.1964 -11.4340 -11.4340 -9.9830 -9.9811 -9.0152 -9.0101 -8.7662 -8.7578 -3.5734 -3.5724 -2.0035 -1.9982 -1.6435 -1.6430 -1.4611 -1.4509 -1.2233 -1.2177 -0.8814 -0.8752 0.5561 0.5603 0.7884 0.8002 1.6352 1.6434 1.9512 1.9516 2.3995 2.4021 2.6764 2.6866 2.8086 2.8141 3.4135 3.4177 3.4460 3.4470 4.1109 4.1133 4.6375 4.6440 4.6923 4.6953 11.9437 11.9558 12.3435 12.3450 12.5994 12.6029 12.9107 12.9115 13.3168 13.3285 k = 0.3466 0.5576-0.0000 ( 4376 PWs) bands (ev): -13.4506 -13.4505 -13.1964 -13.1964 -11.4340 -11.4340 -9.9830 -9.9811 -9.0152 -9.0101 -8.7662 -8.7578 -3.5734 -3.5724 -2.0035 -1.9982 -1.6435 -1.6430 -1.4611 -1.4509 -1.2233 -1.2177 -0.8814 -0.8752 0.5561 0.5603 0.7884 0.8002 1.6352 1.6434 1.9512 1.9516 2.3995 2.4021 2.6764 2.6866 2.8086 2.8141 3.4135 3.4177 3.4460 3.4470 4.1109 4.1133 4.6375 4.6440 4.6923 4.6953 11.9437 11.9558 12.3435 12.3450 12.5994 12.6029 12.9107 12.9115 13.3168 13.3285 k = 0.3301 0.5576-0.0000 ( 4378 PWs) bands (ev): -13.4547 -13.4546 -13.1966 -13.1966 -11.4152 -11.4152 -10.0080 -10.0062 -9.0061 -9.0009 -8.7651 -8.7567 -3.5715 -3.5705 -1.9941 -1.9890 -1.6528 -1.6521 -1.4885 -1.4783 -1.2356 -1.2299 -0.8329 -0.8265 0.5439 0.5482 0.8122 0.8240 1.6032 1.6115 1.9611 1.9615 2.4000 2.4020 2.6586 2.6691 2.8226 2.8275 3.4146 3.4189 3.4601 3.4611 4.0873 4.0897 4.6508 4.6564 4.6837 4.6858 11.9479 11.9603 12.3516 12.3534 12.6192 12.6233 12.8825 12.8835 13.3631 13.3746 k = 0.3136 0.5576-0.0000 ( 4375 PWs) bands (ev): -13.4593 -13.4592 -13.1971 -13.1971 -11.3942 -11.3942 -10.0336 -10.0319 -8.9967 -8.9913 -8.7644 -8.7560 -3.5690 -3.5680 -2.0041 -1.9995 -1.6529 -1.6519 -1.5123 -1.5022 -1.2436 -1.2379 -0.7815 -0.7750 0.5296 0.5338 0.8386 0.8502 1.5684 1.5768 1.9733 1.9737 2.3971 2.3986 2.6407 2.6513 2.8388 2.8433 3.4152 3.4201 3.4734 3.4749 4.0653 4.0675 4.6525 4.6542 4.6892 4.6916 11.9527 11.9655 12.3561 12.3586 12.6350 12.6398 12.8563 12.8576 13.3989 13.4093 k = 0.2971 0.5576-0.0000 ( 4376 PWs) bands (ev): -13.4643 -13.4642 -13.1978 -13.1978 -11.3711 -11.3710 -10.0600 -10.0583 -8.9871 -8.9816 -8.7641 -8.7557 -3.5657 -3.5646 -2.0328 -2.0288 -1.6433 -1.6423 -1.5332 -1.5231 -1.2469 -1.2412 -0.7281 -0.7216 0.5133 0.5175 0.8672 0.8788 1.5311 1.5395 1.9877 1.9880 2.3895 2.3908 2.6246 2.6353 2.8562 2.8604 3.4153 3.4212 3.4849 3.4874 4.0456 4.0477 4.6436 4.6445 4.7045 4.7088 11.9589 11.9718 12.3573 12.3606 12.6455 12.6510 12.8330 12.8346 13.4234 13.4322 k = 0.2806 0.5576-0.0000 ( 4378 PWs) bands (ev): -13.4696 -13.4695 -13.1988 -13.1988 -11.3460 -11.3460 -10.0870 -10.0854 -8.9772 -8.9716 -8.7642 -8.7558 -3.5614 -3.5602 -2.0758 -2.0724 -1.6280 -1.6272 -1.5514 -1.5413 -1.2446 -1.2390 -0.6737 -0.6671 0.4957 0.4997 0.8979 0.9095 1.4915 1.5000 2.0039 2.0041 2.3765 2.3777 2.6117 2.6223 2.8741 2.8782 3.4147 3.4217 3.4941 3.4979 4.0288 4.0307 4.6330 4.6343 4.7229 4.7278 11.9669 11.9799 12.3555 12.3597 12.6495 12.6554 12.8130 12.8151 13.4418 13.4492 k = 0.2641 0.5576-0.0000 ( 4373 PWs) bands (ev): -13.4751 -13.4750 -13.2001 -13.2000 -11.3191 -11.3191 -10.1148 -10.1132 -8.9672 -8.9614 -8.7646 -8.7562 -3.5560 -3.5547 -2.1281 -2.1253 -1.6132 -1.6122 -1.5662 -1.5556 -1.2363 -1.2307 -0.6187 -0.6121 0.4769 0.4808 0.9306 0.9421 1.4498 1.4584 2.0219 2.0220 2.3576 2.3591 2.6027 2.6129 2.8923 2.8963 3.4130 3.4213 3.5007 3.5060 4.0155 4.0173 4.6232 4.6247 4.7420 4.7472 11.9769 11.9900 12.3515 12.3563 12.6463 12.6527 12.7965 12.7991 13.4600 13.4662 k = 0.2476 0.5576-0.0000 ( 4371 PWs) bands (ev): -13.4807 -13.4806 -13.2015 -13.2015 -11.2906 -11.2905 -10.1433 -10.1418 -8.9571 -8.9511 -8.7654 -8.7570 -3.5493 -3.5480 -2.1862 -2.1838 -1.6073 -1.6051 -1.5724 -1.5621 -1.2214 -1.2160 -0.5639 -0.5573 0.4575 0.4612 0.9650 0.9764 1.4064 1.4151 2.0411 2.0414 2.3333 2.3352 2.5973 2.6069 2.9104 2.9145 3.4097 3.4192 3.5046 3.5115 4.0060 4.0077 4.6147 4.6163 4.7612 4.7665 11.9892 12.0023 12.3457 12.3512 12.6366 12.6432 12.7826 12.7858 13.4810 13.4863 k = 0.2311 0.5576-0.0000 ( 4376 PWs) bands (ev): -13.4864 -13.4863 -13.2031 -13.2031 -11.2606 -11.2605 -10.1724 -10.1710 -8.9469 -8.9408 -8.7665 -8.7581 -3.5413 -3.5400 -2.2475 -2.2455 -1.6145 -1.6113 -1.5663 -1.5585 -1.2003 -1.1951 -0.5096 -0.5032 0.4380 0.4415 1.0007 1.0120 1.3616 1.3704 2.0613 2.0620 2.3047 2.3069 2.5947 2.6038 2.9283 2.9324 3.4041 3.4147 3.5064 3.5147 4.0003 4.0021 4.6077 4.6093 4.7799 4.7852 12.0039 12.0170 12.3388 12.3449 12.6218 12.6287 12.7700 12.7736 13.5056 13.5101 k = 0.2146 0.5576-0.0000 ( 4377 PWs) bands (ev): -13.4919 -13.4918 -13.2049 -13.2048 -11.2293 -11.2292 -10.2022 -10.2009 -8.9366 -8.9305 -8.7680 -8.7596 -3.5319 -3.5305 -2.3105 -2.3087 -1.6270 -1.6233 -1.5577 -1.5516 -1.1736 -1.1687 -0.4566 -0.4503 0.4189 0.4222 1.0373 1.0484 1.3160 1.3250 2.0819 2.0832 2.2730 2.2753 2.5943 2.6027 2.9457 2.9499 3.3957 3.4070 3.5070 3.5162 3.9981 4.0000 4.6024 4.6041 4.7979 4.8032 12.0210 12.0340 12.3315 12.3381 12.6037 12.6106 12.7575 12.7614 13.5325 13.5365 k = 0.1980 0.5576-0.0000 ( 4380 PWs) bands (ev): -13.4974 -13.4973 -13.2067 -13.2066 -11.1969 -11.1968 -10.2326 -10.2314 -8.9265 -8.9202 -8.7698 -8.7615 -3.5209 -3.5195 -2.3739 -2.3724 -1.6405 -1.6366 -1.5508 -1.5457 -1.1425 -1.1379 -0.4053 -0.3993 0.4012 0.4040 1.0734 1.0843 1.2707 1.2800 2.1014 2.1040 2.2402 2.2420 2.5951 2.6029 2.9627 2.9669 3.3840 3.3954 3.5073 3.5170 3.9989 4.0009 4.5989 4.6007 4.8149 4.8202 12.0404 12.0533 12.3245 12.3314 12.5833 12.5903 12.7443 12.7486 13.5545 13.5596 k = 0.1815 0.5576-0.0000 ( 4386 PWs) bands (ev): -13.5026 -13.5025 -13.2085 -13.2085 -11.1636 -11.1635 -10.2636 -10.2624 -8.9164 -8.9099 -8.7720 -8.7637 -3.5084 -3.5069 -2.4370 -2.4356 -1.6536 -1.6499 -1.5460 -1.5416 -1.1083 -1.1039 -0.3567 -0.3510 0.3856 0.3879 1.1051 1.1153 1.2299 1.2400 2.1160 2.1212 2.2105 2.2110 2.5965 2.6038 2.9790 2.9834 3.3690 3.3799 3.5080 3.5176 4.0018 4.0040 4.5972 4.5990 4.8309 4.8360 12.0620 12.0748 12.3183 12.3255 12.5616 12.5686 12.7302 12.7347 13.5497 13.5567 k = 0.1650 0.5576-0.0000 ( 4386 PWs) bands (ev): -13.5076 -13.5075 -13.2104 -13.2104 -11.1297 -11.1295 -10.2949 -10.2938 -8.9064 -8.8998 -8.7746 -8.7663 -3.4942 -3.4927 -2.4990 -2.4977 -1.6660 -1.6626 -1.5429 -1.5391 -1.0722 -1.0681 -0.3116 -0.3064 0.3733 0.3749 1.1153 1.1243 1.2104 1.2221 2.1138 2.1232 2.1930 2.1970 2.5982 2.6049 2.9947 2.9991 3.3508 3.3609 3.5095 3.5184 4.0062 4.0085 4.5973 4.5992 4.8455 4.8505 12.0856 12.0983 12.3135 12.3209 12.5390 12.5462 12.7151 12.7199 13.5228 13.5291 k = 0.1485 0.5576-0.0000 ( 4380 PWs) bands (ev): -13.5123 -13.5122 -13.2122 -13.2122 -11.0953 -11.0951 -10.3266 -10.3255 -8.8966 -8.8899 -8.7775 -8.7693 -3.4785 -3.4770 -2.5593 -2.5581 -1.6776 -1.6745 -1.5411 -1.5378 -1.0354 -1.0316 -0.2711 -0.2664 0.3654 0.3663 1.0870 1.0952 1.2300 1.2419 2.0882 2.0985 2.2009 2.2053 2.5998 2.6060 3.0097 3.0141 3.3303 3.3394 3.5116 3.5197 4.0113 4.0136 4.5991 4.6010 4.8587 4.8635 12.1108 12.1233 12.3107 12.3182 12.5161 12.5233 12.6990 12.7040 13.4897 13.4953 k = 0.1320 0.5576-0.0000 ( 4378 PWs) bands (ev): -13.5166 -13.5165 -13.2140 -13.2139 -11.0608 -11.0606 -10.3583 -10.3573 -8.8870 -8.8802 -8.7808 -8.7727 -3.4614 -3.4598 -2.6174 -2.6163 -1.6882 -1.6854 -1.5401 -1.5373 -0.9988 -0.9953 -0.2362 -0.2322 0.3634 0.3635 1.0416 1.0496 1.2665 1.2782 2.0512 2.0612 2.2200 2.2237 2.6010 2.6069 3.0239 3.0284 3.3080 3.3162 3.5142 3.5213 4.0166 4.0188 4.6024 4.6042 4.8705 4.8749 12.1370 12.1493 12.3105 12.3181 12.4932 12.5004 12.6819 12.6872 13.4549 13.4600 k = 0.1155 0.5576-0.0000 ( 4381 PWs) bands (ev): -13.5205 -13.5204 -13.2156 -13.2155 -11.0266 -11.0263 -10.3899 -10.3890 -8.8776 -8.8708 -8.7845 -8.7764 -3.4431 -3.4415 -2.6727 -2.6716 -1.6978 -1.6953 -1.5398 -1.5374 -0.9634 -0.9602 -0.2079 -0.2047 0.3675 0.3686 0.9915 0.9995 1.3077 1.3191 2.0103 2.0201 2.2416 2.2447 2.6018 2.6072 3.0374 3.0420 3.2849 3.2921 3.5171 3.5232 4.0216 4.0236 4.6067 4.6085 4.8807 4.8848 12.1635 12.1755 12.3136 12.3212 12.4707 12.4778 12.6637 12.6692 13.4201 13.4247 k = 0.0990 0.5576-0.0000 ( 4379 PWs) bands (ev): -13.5239 -13.5239 -13.2171 -13.2170 -10.9930 -10.9927 -10.4209 -10.4201 -8.8686 -8.8616 -8.7886 -8.7805 -3.4239 -3.4224 -2.7245 -2.7234 -1.7062 -1.7040 -1.5398 -1.5378 -0.9301 -0.9272 -0.1867 -0.1844 0.3793 0.3815 0.9398 0.9477 1.3505 1.3616 1.9680 1.9776 2.2631 2.2658 2.6022 2.6071 3.0502 3.0548 3.2617 3.2681 3.5200 3.5252 4.0260 4.0279 4.6118 4.6135 4.8894 4.8930 12.1892 12.2007 12.3207 12.3284 12.4490 12.4560 12.6442 12.6500 13.3868 13.3908 k = 0.0825 0.5576-0.0000 ( 4381 PWs) bands (ev): -13.5269 -13.5269 -13.2184 -13.2183 -10.9608 -10.9605 -10.4509 -10.4501 -8.8598 -8.8527 -8.7930 -8.7851 -3.4044 -3.4030 -2.7719 -2.7709 -1.7133 -1.7116 -1.5400 -1.5383 -0.8997 -0.8971 -0.1724 -0.1708 0.3988 0.4020 0.8878 0.8955 1.3936 1.4043 1.9253 1.9347 2.2834 2.2857 2.6021 2.6064 3.0625 3.0671 3.2391 3.2447 3.5228 3.5271 4.0298 4.0314 4.6172 4.6188 4.8966 4.8997 12.2128 12.2235 12.3322 12.3398 12.4291 12.4359 12.6232 12.6293 13.3560 13.3594 k = 0.0660 0.5576-0.0000 ( 4383 PWs) bands (ev): -13.5294 -13.5293 -13.2195 -13.2194 -10.9308 -10.9305 -10.4790 -10.4783 -8.8514 -8.8442 -8.7979 -8.7900 -3.3853 -3.3841 -2.8140 -2.8131 -1.7192 -1.7178 -1.5403 -1.5389 -0.8730 -0.8709 -0.1640 -0.1630 0.4254 0.4294 0.8363 0.8438 1.4361 1.4462 1.8834 1.8925 2.3016 2.3035 2.6016 2.6053 3.0743 3.0788 3.2177 3.2227 3.5253 3.5287 4.0329 4.0342 4.6225 4.6238 4.9023 4.9050 12.2333 12.2431 12.3470 12.3541 12.4132 12.4190 12.6006 12.6070 13.3289 13.3317 k = 0.0495 0.5576-0.0000 ( 4388 PWs) bands (ev): -13.5313 -13.5313 -13.2203 -13.2203 -10.9042 -10.9039 -10.5040 -10.5034 -8.8434 -8.8361 -8.8031 -8.7953 -3.3679 -3.3669 -2.8495 -2.8487 -1.7238 -1.7227 -1.5405 -1.5395 -0.8511 -0.8494 -0.1599 -0.1594 0.4571 0.4617 0.7866 0.7936 1.4767 1.4859 1.8438 1.8522 2.3169 2.3184 2.6010 2.6039 3.0856 3.0899 3.1983 3.2027 3.5275 3.5300 4.0352 4.0362 4.6273 4.6283 4.9068 4.9088 12.2507 12.2593 12.3585 12.3637 12.4079 12.4119 12.5767 12.5832 13.3067 13.3088 k = 0.0330 0.5576-0.0000 ( 4386 PWs) bands (ev): -13.5327 -13.5327 -13.2210 -13.2209 -10.8827 -10.8825 -10.5242 -10.5239 -8.8357 -8.8284 -8.8087 -8.8010 -3.3536 -3.3528 -2.8767 -2.8761 -1.7271 -1.7264 -1.5406 -1.5400 -0.8345 -0.8334 -0.1586 -0.1582 0.4913 0.4959 0.7409 0.7470 1.5131 1.5207 1.8090 1.8160 2.3286 2.3297 2.6004 2.6025 3.0963 3.0999 3.1819 3.1855 3.5292 3.5309 4.0369 4.0375 4.6310 4.6317 4.9100 4.9114 12.2651 12.2720 12.3562 12.3608 12.4192 12.4244 12.5525 12.5588 13.2902 13.2916 k = 0.0165 0.5576-0.0000 ( 4386 PWs) bands (ev): -13.5336 -13.5336 -13.2213 -13.2213 -10.8684 -10.8683 -10.5377 -10.5375 -8.8285 -8.8213 -8.8145 -8.8072 -3.3439 -3.3435 -2.8939 -2.8936 -1.7289 -1.7286 -1.5407 -1.5404 -0.8242 -0.8236 -0.1584 -0.1582 0.5222 0.5256 0.7047 0.7088 1.5410 1.5456 1.7840 1.7883 2.3361 2.3366 2.6002 2.6012 3.1052 3.1076 3.1701 3.1725 3.5305 3.5313 4.0379 4.0382 4.6335 4.6338 4.9120 4.9127 12.2762 12.2805 12.3491 12.3524 12.4388 12.4434 12.5311 12.5359 13.2802 13.2809 k = 0.0000 0.5576-0.0000 ( 4384 PWs) bands (ev): -13.5339 -13.5339 -13.2215 -13.2215 -10.8633 -10.8633 -10.5424 -10.5424 -8.8218 -8.8218 -8.8135 -8.8135 -3.3404 -3.3404 -2.8998 -2.8998 -1.7295 -1.7295 -1.5406 -1.5406 -0.8205 -0.8205 -0.1584 -0.1584 0.5376 0.5376 0.6908 0.6908 1.5535 1.5535 1.7759 1.7759 2.3388 2.3388 2.6004 2.6004 3.1099 3.1099 3.1664 3.1664 3.5312 3.5312 4.0384 4.0384 4.6344 4.6344 4.9129 4.9129 12.2822 12.2822 12.3471 12.3471 12.4514 12.4514 12.5228 12.5228 13.2770 13.2770 k = 0.0000 0.5576-0.0000 ( 4384 PWs) bands (ev): -13.5339 -13.5339 -13.2215 -13.2215 -10.8633 -10.8633 -10.5424 -10.5424 -8.8218 -8.8218 -8.8135 -8.8135 -3.3404 -3.3404 -2.8998 -2.8998 -1.7295 -1.7295 -1.5406 -1.5406 -0.8205 -0.8205 -0.1584 -0.1584 0.5376 0.5376 0.6908 0.6908 1.5535 1.5535 1.7759 1.7759 2.3388 2.3388 2.6004 2.6004 3.1099 3.1099 3.1664 3.1664 3.5312 3.5312 4.0384 4.0384 4.6344 4.6344 4.9129 4.9129 12.2822 12.2822 12.3471 12.3471 12.4514 12.4514 12.5228 12.5228 13.2770 13.2770 k = 0.0000 0.5576 0.0163 ( 4384 PWs) bands (ev): -13.5336 -13.5336 -13.2216 -13.2216 -10.8625 -10.8625 -10.5418 -10.5418 -8.8235 -8.8233 -8.8152 -8.8151 -3.3400 -3.3399 -2.8994 -2.8993 -1.7288 -1.7288 -1.5381 -1.5378 -0.8188 -0.8185 -0.1591 -0.1590 0.5360 0.5361 0.6891 0.6893 1.5532 1.5533 1.7765 1.7765 2.3369 2.3369 2.6011 2.6012 3.1113 3.1113 3.1671 3.1671 3.5306 3.5307 4.0386 4.0387 4.6343 4.6344 4.9126 4.9126 12.2722 12.2729 12.3444 12.3446 12.4595 12.4600 12.5166 12.5168 13.2829 13.2832 k = 0.0000 0.5576 0.0325 ( 4378 PWs) bands (ev): -13.5329 -13.5329 -13.2219 -13.2219 -10.8601 -10.8601 -10.5399 -10.5398 -8.8282 -8.8279 -8.8201 -8.8200 -3.3389 -3.3386 -2.8982 -2.8978 -1.7270 -1.7269 -1.5304 -1.5298 -0.8134 -0.8129 -0.1610 -0.1608 0.5315 0.5317 0.6840 0.6844 1.5523 1.5524 1.7783 1.7784 2.3312 2.3313 2.6031 2.6032 3.1155 3.1155 3.1690 3.1691 3.5291 3.5292 4.0394 4.0396 4.6341 4.6341 4.9118 4.9118 12.2475 12.2485 12.3364 12.3367 12.4799 12.4807 12.4998 12.5002 13.3000 13.3006 k = 0.0000 0.5576 0.0488 ( 4382 PWs) bands (ev): -13.5318 -13.5317 -13.2224 -13.2224 -10.8561 -10.8560 -10.5368 -10.5366 -8.8360 -8.8356 -8.8282 -8.8281 -3.3369 -3.3364 -2.8960 -2.8956 -1.7239 -1.7238 -1.5175 -1.5167 -0.8043 -0.8036 -0.1642 -0.1639 0.5241 0.5244 0.6757 0.6763 1.5508 1.5508 1.7811 1.7812 2.3221 2.3221 2.6063 2.6065 3.1223 3.1223 3.1723 3.1725 3.5266 3.5267 4.0408 4.0411 4.6336 4.6337 4.9105 4.9105 12.2144 12.2154 12.3222 12.3225 12.4735 12.4742 12.5081 12.5091 13.3259 13.3266 k = 0.0000 0.5576 0.0650 ( 4384 PWs) bands (ev): -13.5301 -13.5301 -13.2232 -13.2232 -10.8504 -10.8504 -10.5324 -10.5322 -8.8470 -8.8465 -8.8394 -8.8393 -3.3340 -3.3335 -2.8931 -2.8925 -1.7197 -1.7196 -1.4997 -1.4986 -0.7915 -0.7906 -0.1688 -0.1684 0.5143 0.5146 0.6645 0.6653 1.5485 1.5486 1.7847 1.7848 2.3099 2.3099 2.6106 2.6108 3.1312 3.1312 3.1769 3.1772 3.5231 3.5232 4.0427 4.0431 4.6330 4.6331 4.9086 4.9086 12.1769 12.1779 12.3003 12.3008 12.4448 12.4458 12.5378 12.5388 13.3574 13.3580 k = 0.0000 0.5576 0.0813 ( 4388 PWs) bands (ev): -13.5280 -13.5280 -13.2242 -13.2242 -10.8432 -10.8432 -10.5267 -10.5265 -8.8612 -8.8606 -8.8534 -8.8533 -3.3303 -3.3296 -2.8894 -2.8886 -1.7145 -1.7143 -1.4770 -1.4756 -0.7750 -0.7738 -0.1749 -0.1743 0.5023 0.5027 0.6505 0.6515 1.5455 1.5456 1.7889 1.7890 2.2950 2.2951 2.6159 2.6161 3.1419 3.1419 3.1828 3.1832 3.5185 3.5187 4.0451 4.0456 4.6321 4.6323 4.9061 4.9062 12.1373 12.1381 12.2697 12.2704 12.4164 12.4176 12.5687 12.5695 13.3911 13.3915 k = 0.0000 0.5576 0.0976 ( 4384 PWs) bands (ev): -13.5255 -13.5254 -13.2254 -13.2254 -10.8344 -10.8344 -10.5198 -10.5195 -8.8787 -8.8780 -8.8700 -8.8699 -3.3257 -3.3249 -2.8849 -2.8841 -1.7084 -1.7082 -1.4498 -1.4481 -0.7547 -0.7533 -0.1824 -0.1818 0.4887 0.4892 0.6341 0.6353 1.5416 1.5417 1.7932 1.7934 2.2781 2.2782 2.6219 2.6221 3.1538 3.1539 3.1902 3.1906 3.5128 3.5130 4.0479 4.0485 4.6311 4.6312 4.9032 4.9032 12.0967 12.0974 12.2305 12.2315 12.3908 12.3922 12.5998 12.6004 13.4240 13.4242 k = 0.0000 0.5576 0.1138 ( 4390 PWs) bands (ev): -13.5225 -13.5224 -13.2268 -13.2268 -10.8240 -10.8240 -10.5116 -10.5113 -8.8993 -8.8987 -8.8891 -8.8890 -3.3202 -3.3193 -2.8799 -2.8789 -1.7015 -1.7012 -1.4182 -1.4163 -0.7305 -0.7290 -0.1916 -0.1909 0.4740 0.4746 0.6156 0.6171 1.5368 1.5369 1.7973 1.7975 2.2597 2.2598 2.6282 2.6285 3.1665 3.1666 3.1989 3.1993 3.5061 3.5064 4.0511 4.0518 4.6298 4.6300 4.8996 4.8997 12.0563 12.0567 12.1847 12.1860 12.3682 12.3698 12.6307 12.6311 13.4533 13.4535 k = 0.0000 0.5576 0.1301 ( 4396 PWs) bands (ev): -13.5190 -13.5190 -13.2285 -13.2285 -10.8120 -10.8120 -10.5022 -10.5018 -8.9230 -8.9224 -8.9106 -8.9104 -3.3137 -3.3127 -2.8743 -2.8733 -1.6940 -1.6937 -1.3828 -1.3806 -0.7026 -0.7008 -0.2026 -0.2016 0.4588 0.4595 0.5954 0.5970 1.5310 1.5312 1.8007 1.8009 2.2406 2.2406 2.6347 2.6350 3.1796 3.1796 3.2089 3.2093 3.4984 3.4986 4.0546 4.0554 4.6284 4.6285 4.8955 4.8956 12.0167 12.0170 12.1350 12.1365 12.3479 12.3497 12.6611 12.6613 13.4772 13.4779 k = 0.0000 0.5576 0.1464 ( 4394 PWs) bands (ev): -13.5152 -13.5151 -13.2304 -13.2304 -10.7984 -10.7984 -10.4915 -10.4911 -8.9495 -8.9490 -8.9344 -8.9340 -3.3063 -3.3052 -2.8683 -2.8672 -1.6860 -1.6856 -1.3439 -1.3414 -0.6709 -0.6689 -0.2152 -0.2142 0.4436 0.4444 0.5738 0.5757 1.5242 1.5244 1.8029 1.8030 2.2211 2.2212 2.6411 2.6413 3.1924 3.1925 3.2202 3.2205 3.4897 3.4899 4.0583 4.0591 4.6267 4.6268 4.8909 4.8909 11.9787 11.9788 12.0838 12.0856 12.3291 12.3311 12.6907 12.6909 13.4951 13.4962 k = 0.0000 0.5576 0.1626 ( 4392 PWs) bands (ev): -13.5110 -13.5109 -13.2326 -13.2325 -10.7833 -10.7832 -10.4796 -10.4791 -8.9788 -8.9783 -8.9603 -8.9598 -3.2980 -3.2968 -2.8619 -2.8608 -1.6775 -1.6770 -1.3019 -1.2993 -0.6354 -0.6333 -0.2296 -0.2284 0.4291 0.4300 0.5512 0.5533 1.5164 1.5166 1.8033 1.8034 2.2022 2.2024 2.6470 2.6472 3.2048 3.2049 3.2327 3.2328 3.4802 3.4803 4.0620 4.0629 4.6247 4.6250 4.8857 4.8858 11.9430 11.9430 12.0330 12.0349 12.3115 12.3136 12.7192 12.7197 13.5071 13.5085 k = 0.0000 0.5576 0.1789 ( 4386 PWs) bands (ev): -13.5063 -13.5062 -13.2349 -13.2349 -10.7666 -10.7665 -10.4664 -10.4659 -9.0105 -9.0101 -8.9883 -8.9877 -3.2887 -3.2874 -2.8554 -2.8543 -1.6687 -1.6681 -1.2576 -1.2547 -0.5964 -0.5941 -0.2456 -0.2443 0.4158 0.4168 0.5280 0.5304 1.5074 1.5077 1.8013 1.8013 2.1845 2.1847 2.6522 2.6523 3.2164 3.2164 3.2460 3.2460 3.4700 3.4700 4.0656 4.0666 4.6227 4.6229 4.8799 4.8800 11.9101 11.9102 11.9838 11.9860 12.2949 12.2972 12.7464 12.7473 13.5142 13.5158 k = 0.0000 0.5576 0.1951 ( 4384 PWs) bands (ev): -13.5013 -13.5012 -13.2376 -13.2375 -10.7483 -10.7482 -10.4520 -10.4515 -9.0446 -9.0442 -9.0182 -9.0175 -3.2784 -3.2771 -2.8489 -2.8478 -1.6596 -1.6589 -1.2116 -1.2084 -0.5539 -0.5515 -0.2630 -0.2615 0.4042 0.4053 0.5046 0.5071 1.4974 1.4977 1.7963 1.7964 2.1685 2.1688 2.6564 2.6564 3.2267 3.2267 3.2596 3.2599 3.4594 3.4595 4.0689 4.0700 4.6205 4.6207 4.8736 4.8737 11.8806 11.8809 11.9375 11.9400 12.2795 12.2818 12.7719 12.7732 13.5175 13.5193 k = 0.0000 0.5576 0.2114 ( 4376 PWs) bands (ev): -13.4960 -13.4959 -13.2404 -13.2403 -10.7285 -10.7285 -10.4364 -10.4358 -9.0808 -9.0803 -9.0499 -9.0491 -3.2672 -3.2658 -2.8424 -2.8413 -1.6502 -1.6494 -1.1647 -1.1613 -0.5083 -0.5057 -0.2813 -0.2797 0.3947 0.3960 0.4813 0.4841 1.4863 1.4866 1.7878 1.7881 2.1548 2.1553 2.6593 2.6593 3.2356 3.2357 3.2729 3.2736 3.4492 3.4495 4.0718 4.0730 4.6182 4.6184 4.8668 4.8669 11.8552 11.8554 11.8949 11.8978 12.2652 12.2677 12.7954 12.7971 13.5184 13.5204 k = 0.0000 0.5576 0.2277 ( 4384 PWs) bands (ev): -13.4903 -13.4902 -13.2435 -13.2434 -10.7072 -10.7071 -10.4196 -10.4190 -9.1189 -9.1184 -9.0832 -9.0823 -3.2551 -3.2535 -2.8362 -2.8352 -1.6405 -1.6396 -1.1179 -1.1143 -0.4598 -0.4571 -0.3000 -0.2982 0.3878 0.3892 0.4585 0.4615 1.4741 1.4745 1.7755 1.7759 2.1439 2.1444 2.6606 2.6607 3.2429 3.2430 3.2848 3.2860 3.4406 3.4411 4.0740 4.0753 4.6160 4.6162 4.8594 4.8596 11.8341 11.8343 11.8569 11.8603 12.2523 12.2549 12.8163 12.8185 13.5179 13.5200 k = 0.0000 0.5576 0.2439 ( 4378 PWs) bands (ev): -13.4843 -13.4842 -13.2469 -13.2468 -10.6844 -10.6843 -10.4016 -10.4009 -9.1587 -9.1583 -9.1179 -9.1170 -3.2420 -3.2404 -2.8303 -2.8294 -1.6304 -1.6294 -1.0725 -1.0687 -0.4090 -0.4061 -0.3181 -0.3162 0.3838 0.3853 0.4367 0.4399 1.4609 1.4612 1.7594 1.7599 2.1358 2.1365 2.6603 2.6604 3.2484 3.2486 3.2936 3.2952 3.4352 3.4361 4.0754 4.0767 4.6138 4.6141 4.8516 4.8517 11.8161 11.8175 11.8245 11.8295 12.2410 12.2436 12.8341 12.8368 13.5170 13.5190 k = 0.0000 0.5576 0.2602 ( 4382 PWs) bands (ev): -13.4780 -13.4779 -13.2505 -13.2504 -10.6601 -10.6600 -10.3824 -10.3817 -9.2000 -9.1996 -9.1540 -9.1530 -3.2280 -3.2264 -2.8250 -2.8242 -1.6199 -1.6188 -1.0300 -1.0260 -0.3565 -0.3533 -0.3342 -0.3321 0.3829 0.3844 0.4163 0.4198 1.4465 1.4469 1.7394 1.7400 2.1305 2.1313 2.6581 2.6583 3.2522 3.2524 3.2972 3.2992 3.4353 3.4365 4.0757 4.0770 4.6120 4.6122 4.8433 4.8434 11.7953 11.7957 11.8084 11.8118 12.2315 12.2341 12.8485 12.8516 13.5160 13.5181 k = 0.0000 0.5576 0.2765 ( 4382 PWs) bands (ev): -13.4714 -13.4713 -13.2544 -13.2543 -10.6344 -10.6343 -10.3621 -10.3614 -9.2427 -9.2423 -9.1911 -9.1901 -3.2132 -3.2115 -2.8204 -2.8197 -1.6088 -1.6076 -0.9922 -0.9881 -0.3477 -0.3456 -0.3019 -0.2989 0.3853 0.3869 0.3980 0.4016 1.4310 1.4314 1.7158 1.7164 2.1279 2.1287 2.6539 2.6541 3.2541 3.2543 3.2943 3.2967 3.4424 3.4436 4.0746 4.0760 4.6104 4.6107 4.8345 4.8347 11.7739 11.7755 11.8028 11.8053 12.2238 12.2264 12.8588 12.8623 13.5155 13.5175 k = 0.0000 0.5576 0.2927 ( 4380 PWs) bands (ev): -13.4646 -13.4645 -13.2586 -13.2585 -10.6072 -10.6071 -10.3407 -10.3399 -9.2865 -9.2861 -9.2293 -9.2282 -3.1976 -3.1958 -2.8167 -2.8161 -1.5970 -1.5958 -0.9611 -0.9569 -0.3559 -0.3535 -0.2478 -0.2447 0.3821 0.3860 0.3915 0.3932 1.4145 1.4149 1.6890 1.6896 2.1277 2.1285 2.6475 2.6478 3.2542 3.2543 3.2856 3.2881 3.4559 3.4571 4.0721 4.0735 4.6094 4.6096 4.8254 4.8256 11.7586 11.7606 11.8032 11.8055 12.2181 12.2207 12.8648 12.8688 13.5031 13.5059 k = 0.0000 0.5576 0.3090 ( 4382 PWs) bands (ev): -13.4576 -13.4574 -13.2630 -13.2629 -10.5787 -10.5785 -10.3182 -10.3174 -9.3312 -9.3309 -9.2682 -9.2671 -3.1812 -3.1794 -2.8140 -2.8135 -1.5845 -1.5831 -0.9386 -0.9345 -0.3577 -0.3550 -0.1945 -0.1913 0.3702 0.3744 0.4013 0.4031 1.3968 1.3971 1.6592 1.6598 2.1295 2.1303 2.6388 2.6391 3.2525 3.2526 3.2728 3.2753 3.4741 3.4752 4.0679 4.0693 4.6090 4.6091 4.8159 4.8161 11.7497 11.7519 11.8093 11.8116 12.2144 12.2171 12.8663 12.8707 13.4481 13.4506 k = 0.0000 0.5576 0.3252 ( 4384 PWs) bands (ev): -13.4504 -13.4502 -13.2677 -13.2675 -10.5488 -10.5486 -10.2947 -10.2939 -9.3767 -9.3764 -9.3078 -9.3067 -3.1641 -3.1623 -2.8123 -2.8120 -1.5710 -1.5695 -0.9260 -0.9220 -0.3520 -0.3490 -0.1437 -0.1406 0.3633 0.3676 0.4152 0.4170 1.3778 1.3782 1.6267 1.6273 2.1331 2.1339 2.6278 2.6281 3.2490 3.2491 3.2576 3.2602 3.4957 3.4966 4.0620 4.0633 4.6092 4.6094 4.8061 4.8064 11.7474 11.7497 11.8212 11.8235 12.2129 12.2155 12.8631 12.8680 13.3865 13.3893 k = 0.0000 0.5576 0.3415 ( 4382 PWs) bands (ev): -13.4429 -13.4428 -13.2726 -13.2724 -10.5176 -10.5174 -10.2703 -10.2694 -9.4227 -9.4224 -9.3479 -9.3467 -3.1464 -3.1446 -2.8120 -2.8118 -1.5564 -1.5547 -0.9239 -0.9200 -0.3387 -0.3354 -0.0975 -0.0945 0.3632 0.3675 0.4333 0.4351 1.3576 1.3580 1.5918 1.5924 2.1383 2.1391 2.6143 2.6146 3.2410 3.2421 3.2444 3.2458 3.5193 3.5201 4.0542 4.0555 4.6103 4.6104 4.7962 4.7964 11.7518 11.7542 11.8388 11.8412 12.2135 12.2160 12.8555 12.8608 13.3196 13.3226 k = 0.0000 0.5576 0.3578 ( 4382 PWs) bands (ev): -13.4354 -13.4352 -13.2778 -13.2776 -10.4851 -10.4849 -10.2450 -10.2441 -9.4690 -9.4686 -9.3883 -9.3871 -3.1282 -3.1264 -2.8129 -2.8129 -1.5405 -1.5388 -0.9315 -0.9277 -0.3190 -0.3153 -0.0580 -0.0553 0.3717 0.3759 0.4557 0.4575 1.3361 1.3365 1.5548 1.5554 2.1450 2.1457 2.5982 2.5986 3.2246 3.2267 3.2379 3.2385 3.5444 3.5451 4.0445 4.0457 4.6121 4.6122 4.7860 4.7863 11.7629 11.7653 11.8619 11.8643 12.2162 12.2186 12.8437 12.8495 13.2484 13.2516 k = 0.0000 0.5576 0.3740 ( 4384 PWs) bands (ev): -13.4277 -13.4276 -13.2832 -13.2830 -10.4514 -10.4512 -10.2190 -10.2181 -9.5153 -9.5149 -9.4288 -9.4276 -3.1095 -3.1077 -2.8155 -2.8153 -1.5233 -1.5215 -0.9472 -0.9436 -0.2945 -0.2906 -0.0274 -0.0251 0.3904 0.3942 0.4826 0.4844 1.3132 1.3135 1.5157 1.5163 2.1530 2.1537 2.5798 2.5801 3.2086 3.2108 3.2304 3.2310 3.5705 3.5710 4.0329 4.0341 4.6148 4.6148 4.7758 4.7761 11.7806 11.7831 11.8901 11.8927 12.2209 12.2232 12.8279 12.8342 13.1741 13.1775 k = 0.0000 0.5576 0.3903 ( 4390 PWs) bands (ev): -13.4200 -13.4198 -13.2889 -13.2887 -10.4166 -10.4164 -10.1925 -10.1916 -9.5613 -9.5609 -9.4693 -9.4682 -3.0905 -3.0886 -2.8196 -2.8193 -1.5047 -1.5027 -0.9693 -0.9659 -0.2673 -0.2633 -0.0063 -0.0048 0.4196 0.4230 0.5139 0.5155 1.2888 1.2891 1.4748 1.4754 2.1625 2.1631 2.5589 2.5592 3.1938 3.1960 3.2219 3.2226 3.5971 3.5976 4.0195 4.0206 4.6183 4.6183 4.7655 4.7658 11.8048 11.8072 11.9230 11.9257 12.2276 12.2297 12.8084 12.8151 13.0985 13.1021 k = 0.0000 0.5576 0.4065 ( 4394 PWs) bands (ev): -13.4121 -13.4119 -13.2948 -13.2946 -10.3808 -10.3806 -10.1657 -10.1648 -9.6066 -9.6062 -9.5097 -9.5085 -3.0712 -3.0693 -2.8252 -2.8247 -1.4845 -1.4824 -0.9963 -0.9929 -0.2390 -0.2349 0.0055 0.0063 0.4583 0.4610 0.5493 0.5508 1.2630 1.2632 1.4322 1.4327 2.1734 2.1739 2.5359 2.5362 3.1805 3.1827 3.2128 3.2136 3.6241 3.6245 4.0043 4.0054 4.6225 4.6226 4.7552 4.7555 11.8352 11.8376 11.9599 11.9628 12.2360 12.2379 12.7848 12.7919 13.0239 13.0275 k = 0.0000 0.5576 0.4228 ( 4396 PWs) bands (ev): -13.4042 -13.4040 -13.3009 -13.3008 -10.3441 -10.3439 -10.1391 -10.1381 -9.6507 -9.6503 -9.5497 -9.5485 -3.0517 -3.0499 -2.8323 -2.8317 -1.4626 -1.4604 -1.0266 -1.0233 -0.2110 -0.2069 0.0099 0.0100 0.5039 0.5061 0.5883 0.5896 1.2356 1.2358 1.3881 1.3885 2.1857 2.1862 2.5110 2.5112 3.1690 3.1712 3.2032 3.2042 3.6513 3.6516 3.9876 3.9885 4.6275 4.6276 4.7449 4.7453 11.8715 11.8739 11.9999 12.0030 12.2459 12.2476 12.7558 12.7630 12.9540 12.9574 k = 0.0000 0.5576 0.4391 ( 4392 PWs) bands (ev): -13.3963 -13.3961 -13.3073 -13.3071 -10.3067 -10.3065 -10.1134 -10.1124 -9.6928 -9.6924 -9.5891 -9.5879 -3.0322 -3.0304 -2.8410 -2.8402 -1.4392 -1.4369 -1.0592 -1.0560 -0.1841 -0.1800 0.0081 0.0087 0.5539 0.5556 0.6301 0.6312 1.2070 1.2072 1.3427 1.3431 2.1997 2.2001 2.4846 2.4848 3.1596 3.1618 3.1935 3.1946 3.6786 3.6788 3.9694 3.9702 4.6332 4.6333 4.7348 4.7351 11.9133 11.9156 12.0418 12.0451 12.2570 12.2585 12.7182 12.7247 12.8948 12.8973 k = 0.0000 0.5576 0.4553 ( 4396 PWs) bands (ev): -13.3884 -13.3882 -13.3139 -13.3137 -10.2687 -10.2685 -10.0897 -10.0888 -9.7317 -9.7312 -9.6276 -9.6264 -3.0128 -3.0110 -2.8511 -2.8502 -1.4140 -1.4116 -1.0932 -1.0901 -0.1588 -0.1548 0.0022 0.0033 0.6058 0.6072 0.6735 0.6744 1.1776 1.1778 1.2964 1.2969 2.2153 2.2156 2.4571 2.4572 3.1524 3.1545 3.1840 3.1852 3.7057 3.7058 3.9498 3.9506 4.6394 4.6396 4.7248 4.7251 11.9599 11.9622 12.0840 12.0874 12.2690 12.2702 12.6685 12.6735 12.8527 12.8533 k = 0.0000 0.5576 0.4716 ( 4394 PWs) bands (ev): -13.3805 -13.3803 -13.3207 -13.3205 -10.2306 -10.2303 -10.0701 -10.0692 -9.7652 -9.7647 -9.6648 -9.6637 -2.9935 -2.9918 -2.8627 -2.8616 -1.3873 -1.3848 -1.1280 -1.1249 -0.1353 -0.1315 -0.0065 -0.0049 0.6575 0.6586 0.7169 0.7174 1.1484 1.1485 1.2499 1.2504 2.2327 2.2330 2.4290 2.4291 3.1474 3.1495 3.1749 3.1763 3.7327 3.7327 3.9290 3.9297 4.6463 4.6464 4.7150 4.7153 12.0105 12.0128 12.1241 12.1277 12.2816 12.2825 12.6076 12.6108 12.8276 12.8290 k = 0.0000 0.5576 0.4879 ( 4394 PWs) bands (ev): -13.3726 -13.3725 -13.3276 -13.3275 -10.1927 -10.1924 -10.0577 -10.0569 -9.7902 -9.7896 -9.7004 -9.6993 -2.9746 -2.9729 -2.8756 -2.8744 -1.3590 -1.3564 -1.1630 -1.1600 -0.1137 -0.1101 -0.0173 -0.0153 0.7067 0.7076 0.7573 0.7576 1.1212 1.1214 1.2043 1.2048 2.2519 2.2521 2.4008 2.4009 3.1445 3.1466 3.1665 3.1680 3.7592 3.7593 3.9071 3.9077 4.6536 4.6538 4.7053 4.7057 12.0636 12.0659 12.1593 12.1629 12.2948 12.2953 12.5408 12.5427 12.8186 12.8215 k = 0.0000 0.5576 0.5041 ( 4396 PWs) bands (ev): -13.3649 -13.3647 -13.3348 -13.3346 -10.1558 -10.1554 -10.0563 -10.0556 -9.8027 -9.8020 -9.7335 -9.7324 -2.9562 -2.9545 -2.8897 -2.8884 -1.3291 -1.3265 -1.1978 -1.1948 -0.0939 -0.0904 -0.0298 -0.0274 0.7509 0.7516 0.7903 0.7903 1.1001 1.1003 1.1614 1.1619 2.2729 2.2731 2.3730 2.3731 3.1438 3.1458 3.1591 3.1607 3.7854 3.7855 3.8843 3.8848 4.6613 4.6616 4.6960 4.6963 12.1162 12.1187 12.1857 12.1893 12.3095 12.3098 12.4738 12.4749 12.8251 12.8288 k = 0.0000 0.5576 0.5204 ( 4396 PWs) bands (ev): -13.3572 -13.3570 -13.3421 -13.3419 -10.1211 -10.1207 -10.0679 -10.0674 -9.8009 -9.8000 -9.7628 -9.7618 -2.9383 -2.9367 -2.9050 -2.9035 -1.2979 -1.2952 -1.2321 -1.2292 -0.0757 -0.0725 -0.0437 -0.0410 0.7863 0.7870 0.8090 0.8092 1.0909 1.0913 1.1246 1.1251 2.2957 2.2958 2.3460 2.3461 3.1451 3.1470 3.1529 3.1546 3.8111 3.8113 3.8606 3.8610 4.6695 4.6697 4.6868 4.6871 12.1624 12.1650 12.1986 12.2021 12.3295 12.3296 12.4120 12.4126 12.8469 12.8510 k = 0.0000 0.5576 0.5366 ( 4400 PWs) bands (ev): -13.3496 -13.3496 -13.3494 -13.3494 -10.0908 -10.0908 -10.0903 -10.0903 -9.7864 -9.7864 -9.7854 -9.7854 -2.9212 -2.9212 -2.9197 -2.9197 -1.2655 -1.2655 -1.2627 -1.2627 -0.0590 -0.0590 -0.0560 -0.0560 0.8075 0.8075 0.8080 0.8080 1.0992 1.0992 1.0997 1.0997 2.3202 2.3202 2.3202 2.3202 3.1481 3.1481 3.1500 3.1500 3.8362 3.8362 3.8365 3.8365 4.6780 4.6780 4.6783 4.6783 12.1920 12.1920 12.1950 12.1950 12.3622 12.3622 12.3625 12.3625 12.8836 12.8836 k = 0.0000 0.5576 0.5366 ( 4400 PWs) bands (ev): -13.3496 -13.3496 -13.3494 -13.3494 -10.0908 -10.0908 -10.0903 -10.0903 -9.7864 -9.7864 -9.7854 -9.7854 -2.9212 -2.9212 -2.9197 -2.9197 -1.2655 -1.2655 -1.2627 -1.2627 -0.0590 -0.0590 -0.0560 -0.0560 0.8075 0.8075 0.8080 0.8080 1.0992 1.0992 1.0997 1.0997 2.3202 2.3202 2.3202 2.3202 3.1481 3.1481 3.1500 3.1500 3.8362 3.8362 3.8365 3.8365 4.6780 4.6780 4.6783 4.6783 12.1920 12.1920 12.1950 12.1950 12.3622 12.3622 12.3625 12.3625 12.8836 12.8836 k = 0.0165 0.5576 0.5366 ( 4392 PWs) bands (ev): -13.3494 -13.3494 -13.3492 -13.3492 -10.0932 -10.0932 -10.0926 -10.0926 -9.7843 -9.7843 -9.7832 -9.7832 -2.9195 -2.9195 -2.9180 -2.9180 -1.2691 -1.2691 -1.2663 -1.2663 -0.0567 -0.0567 -0.0537 -0.0537 0.8059 0.8059 0.8073 0.8073 1.1000 1.1000 1.1018 1.1018 2.3192 2.3192 2.3196 2.3196 3.1493 3.1493 3.1511 3.1511 3.8367 3.8367 3.8371 3.8371 4.6760 4.6760 4.6765 4.6765 12.1909 12.1909 12.1941 12.1941 12.3625 12.3625 12.3638 12.3638 12.8836 12.8836 k = 0.0330 0.5576 0.5366 ( 4396 PWs) bands (ev): -13.3489 -13.3489 -13.3487 -13.3487 -10.1003 -10.1003 -10.0995 -10.0995 -9.7782 -9.7782 -9.7770 -9.7770 -2.9143 -2.9143 -2.9128 -2.9128 -1.2798 -1.2798 -1.2770 -1.2770 -0.0500 -0.0500 -0.0470 -0.0470 0.8019 0.8019 0.8044 0.8044 1.1034 1.1034 1.1068 1.1068 2.3167 2.3167 2.3176 2.3176 3.1526 3.1526 3.1545 3.1545 3.8382 3.8382 3.8388 3.8388 4.6703 4.6703 4.6710 4.6710 12.1878 12.1878 12.1912 12.1912 12.3642 12.3642 12.3668 12.3668 12.8836 12.8836 k = 0.0495 0.5576 0.5366 ( 4394 PWs) bands (ev): -13.3481 -13.3481 -13.3479 -13.3479 -10.1114 -10.1114 -10.1103 -10.1103 -9.7685 -9.7685 -9.7672 -9.7672 -2.9057 -2.9057 -2.9041 -2.9041 -1.2973 -1.2973 -1.2946 -1.2946 -0.0391 -0.0391 -0.0361 -0.0361 0.7958 0.7958 0.7995 0.7995 1.1094 1.1094 1.1143 1.1143 2.3128 2.3128 2.3141 2.3141 3.1579 3.1579 3.1599 3.1599 3.8409 3.8409 3.8417 3.8417 4.6608 4.6608 4.6618 4.6618 12.1829 12.1829 12.1866 12.1866 12.3672 12.3672 12.3709 12.3709 12.8836 12.8836 k = 0.0660 0.5576 0.5366 ( 4390 PWs) bands (ev): -13.3470 -13.3470 -13.3468 -13.3468 -10.1258 -10.1258 -10.1245 -10.1245 -9.7561 -9.7561 -9.7545 -9.7545 -2.8936 -2.8936 -2.8920 -2.8920 -1.3213 -1.3213 -1.3186 -1.3186 -0.0244 -0.0244 -0.0214 -0.0214 0.7882 0.7882 0.7927 0.7927 1.1178 1.1178 1.1239 1.1239 2.3076 2.3076 2.3093 2.3093 3.1651 3.1651 3.1672 3.1672 3.8448 3.8448 3.8458 3.8458 4.6478 4.6478 4.6491 4.6491 12.1765 12.1765 12.1806 12.1806 12.3711 12.3711 12.3759 12.3759 12.8837 12.8837 k = 0.0825 0.5576 0.5366 ( 4398 PWs) bands (ev): -13.3456 -13.3456 -13.3454 -13.3454 -10.1428 -10.1428 -10.1414 -10.1414 -9.7414 -9.7414 -9.7397 -9.7397 -2.8783 -2.8783 -2.8766 -2.8766 -1.3512 -1.3512 -1.3486 -1.3486 -0.0064 -0.0064 -0.0033 -0.0033 0.7792 0.7792 0.7845 0.7845 1.1280 1.1280 1.1353 1.1353 2.3014 2.3014 2.3035 2.3035 3.1740 3.1740 3.1761 3.1761 3.8499 3.8499 3.8510 3.8510 4.6314 4.6314 4.6329 4.6329 12.1689 12.1689 12.1733 12.1733 12.3757 12.3757 12.3815 12.3815 12.8839 12.8839 k = 0.0990 0.5576 0.5366 ( 4396 PWs) bands (ev): -13.3439 -13.3439 -13.3438 -13.3438 -10.1617 -10.1617 -10.1602 -10.1602 -9.7251 -9.7251 -9.7234 -9.7234 -2.8596 -2.8596 -2.8579 -2.8579 -1.3864 -1.3864 -1.3839 -1.3839 0.0143 0.0143 0.0174 0.0174 0.7694 0.7694 0.7751 0.7751 1.1398 1.1398 1.1480 1.1480 2.2943 2.2943 2.2967 2.2967 3.1841 3.1841 3.1863 3.1863 3.8563 3.8563 3.8576 3.8576 4.6117 4.6117 4.6135 4.6135 12.1603 12.1603 12.1649 12.1649 12.3805 12.3805 12.3873 12.3873 12.8844 12.8844 k = 0.1155 0.5576 0.5366 ( 4400 PWs) bands (ev): -13.3420 -13.3420 -13.3418 -13.3418 -10.1821 -10.1821 -10.1805 -10.1805 -9.7078 -9.7078 -9.7059 -9.7059 -2.8378 -2.8378 -2.8360 -2.8360 -1.4264 -1.4264 -1.4240 -1.4240 0.0372 0.0372 0.0404 0.0404 0.7589 0.7589 0.7650 0.7650 1.1527 1.1527 1.1617 1.1617 2.2866 2.2866 2.2893 2.2893 3.1952 3.1952 3.1973 3.1973 3.8641 3.8641 3.8656 3.8656 4.5890 4.5890 4.5911 4.5911 12.1509 12.1509 12.1556 12.1556 12.3854 12.3854 12.3931 12.3931 12.8851 12.8851 k = 0.1320 0.5576 0.5366 ( 4404 PWs) bands (ev): -13.3398 -13.3398 -13.3397 -13.3397 -10.2035 -10.2035 -10.2018 -10.2018 -9.6896 -9.6896 -9.6877 -9.6877 -2.8129 -2.8129 -2.8110 -2.8110 -1.4707 -1.4707 -1.4683 -1.4683 0.0618 0.0618 0.0651 0.0651 0.7480 0.7480 0.7544 0.7544 1.1664 1.1664 1.1761 1.1761 2.2786 2.2786 2.2815 2.2815 3.2068 3.2068 3.2089 3.2089 3.8734 3.8734 3.8751 3.8751 4.5635 4.5635 4.5659 4.5659 12.1406 12.1406 12.1454 12.1454 12.3901 12.3901 12.3987 12.3987 12.8862 12.8862 k = 0.1485 0.5576 0.5366 ( 4408 PWs) bands (ev): -13.3374 -13.3374 -13.3373 -13.3373 -10.2255 -10.2255 -10.2238 -10.2238 -9.6710 -9.6710 -9.6690 -9.6690 -2.7849 -2.7849 -2.7830 -2.7830 -1.5188 -1.5188 -1.5164 -1.5164 0.0875 0.0875 0.0909 0.0909 0.7370 0.7370 0.7436 0.7436 1.1807 1.1807 1.1909 1.1909 2.2704 2.2704 2.2735 2.2735 3.2186 3.2186 3.2206 3.2206 3.8843 3.8843 3.8861 3.8861 4.5356 4.5356 4.5383 4.5383 12.1294 12.1294 12.1344 12.1344 12.3947 12.3947 12.4041 12.4041 12.8877 12.8877 k = 0.1650 0.5576 0.5366 ( 4406 PWs) bands (ev): -13.3349 -13.3349 -13.3347 -13.3347 -10.2479 -10.2479 -10.2462 -10.2462 -9.6521 -9.6521 -9.6501 -9.6501 -2.7541 -2.7541 -2.7521 -2.7521 -1.5701 -1.5701 -1.5678 -1.5678 0.1140 0.1140 0.1175 0.1175 0.7261 0.7261 0.7328 0.7328 1.1952 1.1952 1.2058 1.2058 2.2623 2.2623 2.2656 2.2656 3.2302 3.2302 3.2321 3.2321 3.8969 3.8969 3.8989 3.8989 4.5056 4.5056 4.5085 4.5085 12.1173 12.1173 12.1224 12.1224 12.3990 12.3990 12.4091 12.4091 12.8898 12.8898 k = 0.1815 0.5576 0.5366 ( 4408 PWs) bands (ev): -13.3322 -13.3322 -13.3321 -13.3321 -10.2705 -10.2705 -10.2688 -10.2688 -9.6331 -9.6331 -9.6311 -9.6311 -2.7206 -2.7206 -2.7185 -2.7185 -1.6244 -1.6244 -1.6221 -1.6221 0.1409 0.1409 0.1445 0.1445 0.7154 0.7154 0.7222 0.7222 1.2096 1.2096 1.2206 1.2206 2.2546 2.2546 2.2580 2.2580 3.2413 3.2413 3.2429 3.2429 3.9113 3.9113 3.9134 3.9134 4.4738 4.4738 4.4769 4.4769 12.1041 12.1041 12.1092 12.1092 12.4032 12.4032 12.4139 12.4139 12.8925 12.8925 k = 0.1980 0.5576 0.5366 ( 4406 PWs) bands (ev): -13.3294 -13.3294 -13.3293 -13.3293 -10.2931 -10.2931 -10.2914 -10.2914 -9.6140 -9.6140 -9.6120 -9.6120 -2.6844 -2.6844 -2.6823 -2.6823 -1.6812 -1.6812 -1.6789 -1.6789 0.1678 0.1678 0.1715 0.1715 0.7052 0.7052 0.7119 0.7119 1.2238 1.2238 1.2352 1.2352 2.2474 2.2474 2.2508 2.2508 3.2514 3.2514 3.2528 3.2528 3.9276 3.9276 3.9298 3.9298 4.4405 4.4405 4.4438 4.4438 12.0897 12.0897 12.0949 12.0949 12.4071 12.4071 12.4184 12.4184 12.8959 12.8959 k = 0.2146 0.5576 0.5366 ( 4398 PWs) bands (ev): -13.3266 -13.3266 -13.3264 -13.3264 -10.3154 -10.3154 -10.3137 -10.3137 -9.5951 -9.5951 -9.5931 -9.5931 -2.6458 -2.6458 -2.6436 -2.6436 -1.7403 -1.7403 -1.7379 -1.7379 0.1944 0.1944 0.1982 0.1982 0.6955 0.6955 0.7021 0.7021 1.2376 1.2376 1.2492 1.2492 2.2410 2.2410 2.2444 2.2444 3.2603 3.2603 3.2615 3.2615 3.9457 3.9457 3.9480 3.9480 4.4062 4.4062 4.4097 4.4097 12.0740 12.0740 12.0792 12.0792 12.4108 12.4108 12.4227 12.4227 12.9002 12.9002 k = 0.2311 0.5576 0.5366 ( 4398 PWs) bands (ev): -13.3237 -13.3237 -13.3235 -13.3235 -10.3374 -10.3374 -10.3357 -10.3357 -9.5763 -9.5763 -9.5743 -9.5743 -2.6050 -2.6050 -2.6026 -2.6026 -1.8013 -1.8013 -1.7989 -1.7989 0.2204 0.2204 0.2243 0.2243 0.6865 0.6865 0.6930 0.6930 1.2507 1.2507 1.2625 1.2625 2.2355 2.2355 2.2390 2.2390 3.2677 3.2677 3.2688 3.2688 3.9657 3.9657 3.9682 3.9682 4.3712 4.3712 4.3749 4.3749 12.0569 12.0569 12.0620 12.0620 12.4144 12.4144 12.4266 12.4266 12.9056 12.9056 k = 0.2476 0.5576 0.5366 ( 4402 PWs) bands (ev): -13.3208 -13.3208 -13.3207 -13.3207 -10.3589 -10.3589 -10.3572 -10.3572 -9.5577 -9.5577 -9.5557 -9.5557 -2.5619 -2.5619 -2.5595 -2.5595 -1.8640 -1.8640 -1.8616 -1.8616 0.2455 0.2455 0.2495 0.2495 0.6784 0.6784 0.6847 0.6847 1.2628 1.2628 1.2748 1.2748 2.2311 2.2311 2.2346 2.2346 3.2735 3.2735 3.2745 3.2745 3.9875 3.9875 3.9901 3.9901 4.3359 4.3359 4.3397 4.3397 12.0381 12.0381 12.0433 12.0433 12.4178 12.4178 12.4301 12.4301 12.9120 12.9120 k = 0.2641 0.5576 0.5366 ( 4402 PWs) bands (ev): -13.3180 -13.3180 -13.3179 -13.3179 -10.3797 -10.3797 -10.3780 -10.3780 -9.5393 -9.5393 -9.5373 -9.5373 -2.5170 -2.5170 -2.5145 -2.5145 -1.9282 -1.9282 -1.9258 -1.9258 0.2694 0.2694 0.2736 0.2736 0.6714 0.6714 0.6776 0.6776 1.2739 1.2739 1.2860 1.2860 2.2280 2.2280 2.2314 2.2314 3.2775 3.2775 3.2784 3.2784 4.0109 4.0109 4.0138 4.0138 4.3008 4.3008 4.3047 4.3047 12.0178 12.0178 12.0230 12.0230 12.4208 12.4208 12.4332 12.4332 12.9197 12.9197 k = 0.2806 0.5576 0.5366 ( 4404 PWs) bands (ev): -13.3153 -13.3153 -13.3152 -13.3152 -10.3997 -10.3997 -10.3981 -10.3981 -9.5211 -9.5211 -9.5191 -9.5191 -2.4703 -2.4703 -2.4677 -2.4677 -1.9938 -1.9938 -1.9913 -1.9913 0.2919 0.2919 0.2962 0.2962 0.6657 0.6657 0.6717 0.6717 1.2837 1.2837 1.2959 1.2959 2.2263 2.2263 2.2297 2.2297 3.2797 3.2797 3.2807 3.2807 4.0357 4.0357 4.0388 4.0388 4.2666 4.2666 4.2705 4.2705 11.9959 11.9959 12.0010 12.0010 12.4233 12.4233 12.4357 12.4357 12.9288 12.9288 k = 0.2971 0.5576 0.5366 ( 4402 PWs) bands (ev): -13.3128 -13.3128 -13.3127 -13.3127 -10.4189 -10.4189 -10.4173 -10.4173 -9.5032 -9.5032 -9.5013 -9.5013 -2.4219 -2.4219 -2.4194 -2.4194 -2.0604 -2.0604 -2.0579 -2.0579 0.3126 0.3126 0.3169 0.3169 0.6617 0.6617 0.6675 0.6675 1.2919 1.2919 1.3042 1.3042 2.2262 2.2262 2.2296 2.2296 3.2800 3.2800 3.2812 3.2812 4.0612 4.0612 4.0645 4.0645 4.2339 4.2339 4.2377 4.2377 11.9723 11.9723 11.9773 11.9773 12.4252 12.4252 12.4375 12.4375 12.9394 12.9394 k = 0.3136 0.5576 0.5366 ( 4400 PWs) bands (ev): -13.3104 -13.3104 -13.3103 -13.3103 -10.4371 -10.4371 -10.4356 -10.4356 -9.4856 -9.4856 -9.4837 -9.4837 -2.3722 -2.3722 -2.3696 -2.3696 -2.1280 -2.1280 -2.1254 -2.1254 0.3311 0.3311 0.3355 0.3355 0.6596 0.6596 0.6652 0.6652 1.2985 1.2985 1.3107 1.3107 2.2279 2.2279 2.2311 2.2311 3.2787 3.2787 3.2799 3.2799 4.0854 4.0854 4.0891 4.0891 4.2050 4.2050 4.2084 4.2084 11.9472 11.9472 11.9521 11.9521 12.4264 12.4264 12.4385 12.4385 12.9516 12.9516 k = 0.3301 0.5576 0.5366 ( 4394 PWs) bands (ev): -13.3083 -13.3083 -13.3082 -13.3082 -10.4543 -10.4543 -10.4527 -10.4527 -9.4683 -9.4683 -9.4664 -9.4664 -2.3214 -2.3214 -2.3187 -2.3187 -2.1964 -2.1964 -2.1938 -2.1938 0.3471 0.3471 0.3516 0.3516 0.6599 0.6599 0.6652 0.6652 1.3030 1.3030 1.3153 1.3153 2.2313 2.2313 2.2345 2.2345 3.2758 3.2758 3.2772 3.2772 4.1024 4.1024 4.1064 4.1064 4.1861 4.1861 4.1884 4.1884 11.9206 11.9206 11.9254 11.9254 12.4266 12.4266 12.4385 12.4385 12.9652 12.9652 k = 0.3466 0.5576 0.5366 ( 4396 PWs) bands (ev): -13.3065 -13.3065 -13.3064 -13.3064 -10.4702 -10.4702 -10.4688 -10.4688 -9.4513 -9.4513 -9.4494 -9.4494 -2.2707 -2.2707 -2.2704 -2.2704 -2.2621 -2.2621 -2.2615 -2.2615 0.3601 0.3601 0.3647 0.3647 0.6628 0.6628 0.6680 0.6680 1.3056 1.3056 1.3178 1.3178 2.2368 2.2368 2.2398 2.2398 3.2715 3.2715 3.2730 3.2730 4.0994 4.0994 4.1036 4.1036 4.1899 4.1899 4.1909 4.1909 11.8925 11.8925 11.8973 11.8973 12.4258 12.4258 12.4374 12.4374 12.9802 12.9803 k = 0.3466 0.5576 0.5366 ( 4396 PWs) bands (ev): -13.3065 -13.3065 -13.3064 -13.3064 -10.4702 -10.4702 -10.4688 -10.4688 -9.4513 -9.4513 -9.4494 -9.4494 -2.2707 -2.2707 -2.2704 -2.2704 -2.2621 -2.2621 -2.2615 -2.2615 0.3601 0.3601 0.3647 0.3647 0.6628 0.6628 0.6680 0.6680 1.3056 1.3056 1.3178 1.3178 2.2368 2.2368 2.2398 2.2398 3.2715 3.2715 3.2730 3.2730 4.0994 4.0994 4.1036 4.1036 4.1899 4.1899 4.1909 4.1909 11.8925 11.8925 11.8973 11.8973 12.4258 12.4258 12.4374 12.4374 12.9802 12.9802 k = 0.3379 0.5437 0.5366 ( 4394 PWs) bands (ev): -13.3097 -13.3097 -13.3096 -13.3096 -10.4406 -10.4406 -10.4390 -10.4390 -9.4833 -9.4833 -9.4814 -9.4814 -2.3131 -2.3131 -2.3125 -2.3125 -2.1880 -2.1880 -2.1871 -2.1871 0.3374 0.3374 0.3419 0.3419 0.6545 0.6545 0.6600 0.6600 1.3035 1.3035 1.3158 1.3158 2.2252 2.2252 2.2284 2.2284 3.2803 3.2803 3.2816 3.2816 4.1268 4.1268 4.1308 4.1308 4.1610 4.1610 4.1620 4.1620 11.9464 11.9464 11.9513 11.9513 12.4270 12.4270 12.4391 12.4391 12.9515 12.9515 k = 0.3293 0.5297 0.5366 ( 4392 PWs) bands (ev): -13.3131 -13.3131 -13.3130 -13.3130 -10.4095 -10.4095 -10.4079 -10.4079 -9.5158 -9.5158 -9.5138 -9.5138 -2.3582 -2.3582 -2.3576 -2.3576 -2.1111 -2.1111 -2.1103 -2.1103 0.3127 0.3127 0.3169 0.3169 0.6460 0.6460 0.6519 0.6519 1.3029 1.3029 1.3151 1.3151 2.2146 2.2146 2.2181 2.2181 3.2884 3.2884 3.2895 3.2895 4.1324 4.1324 4.1336 4.1336 4.1558 4.1558 4.1600 4.1600 11.9990 11.9990 12.0040 12.0040 12.4251 12.4251 12.4377 12.4377 12.9248 12.9248 k = 0.3206 0.5158 0.5366 ( 4396 PWs) bands (ev): -13.3167 -13.3167 -13.3166 -13.3166 -10.3771 -10.3771 -10.3754 -10.3754 -9.5485 -9.5485 -9.5465 -9.5465 -2.4055 -2.4055 -2.4049 -2.4049 -2.0326 -2.0326 -2.0319 -2.0319 0.2859 0.2859 0.2900 0.2900 0.6375 0.6375 0.6436 0.6436 1.3036 1.3036 1.3158 1.3158 2.2053 2.2053 2.2089 2.2089 3.2955 3.2955 3.2964 3.2964 4.1056 4.1056 4.1066 4.1066 4.1858 4.1858 4.1899 4.1899 12.0491 12.0491 12.0541 12.0541 12.4195 12.4195 12.4324 12.4324 12.9016 12.9016 k = 0.3119 0.5018 0.5366 ( 4390 PWs) bands (ev): -13.3203 -13.3203 -13.3202 -13.3202 -10.3434 -10.3434 -10.3416 -10.3416 -9.5814 -9.5814 -9.5794 -9.5794 -2.4549 -2.4549 -2.4544 -2.4544 -1.9528 -1.9528 -1.9522 -1.9522 0.2572 0.2572 0.2610 0.2610 0.6288 0.6288 0.6352 0.6352 1.3059 1.3059 1.3179 1.3179 2.1973 2.1973 2.2011 2.2011 3.3019 3.3019 3.3025 3.3025 4.0797 4.0797 4.0808 4.0808 4.2172 4.2172 4.2211 4.2211 12.0951 12.0951 12.0999 12.0999 12.4097 12.4097 12.4228 12.4228 12.8832 12.8832 k = 0.3033 0.4879 0.5366 ( 4386 PWs) bands (ev): -13.3241 -13.3241 -13.3240 -13.3240 -10.3084 -10.3084 -10.3066 -10.3066 -9.6143 -9.6143 -9.6123 -9.6123 -2.5063 -2.5063 -2.5058 -2.5058 -1.8719 -1.8719 -1.8715 -1.8715 0.2267 0.2267 0.2302 0.2302 0.6201 0.6201 0.6269 0.6269 1.3097 1.3097 1.3214 1.3214 2.1908 2.1908 2.1948 2.1948 3.3074 3.3074 3.3078 3.3078 4.0552 4.0552 4.0562 4.0562 4.2496 4.2496 4.2534 4.2534 12.1349 12.1349 12.1396 12.1396 12.3951 12.3951 12.4085 12.4085 12.8718 12.8718 k = 0.2946 0.4740 0.5366 ( 4398 PWs) bands (ev): -13.3281 -13.3281 -13.3280 -13.3280 -10.2722 -10.2722 -10.2704 -10.2704 -9.6472 -9.6472 -9.6452 -9.6452 -2.5596 -2.5596 -2.5592 -2.5592 -1.7904 -1.7904 -1.7901 -1.7901 0.1945 0.1945 0.1977 0.1977 0.6113 0.6113 0.6184 0.6184 1.3150 1.3150 1.3265 1.3265 2.1859 2.1859 2.1901 2.1901 3.3121 3.3121 3.3122 3.3122 4.0319 4.0319 4.0329 4.0329 4.2830 4.2830 4.2867 4.2867 12.1667 12.1667 12.1710 12.1710 12.3756 12.3756 12.3891 12.3891 12.8690 12.8690 k = 0.2859 0.4600 0.5366 ( 4402 PWs) bands (ev): -13.3321 -13.3321 -13.3320 -13.3320 -10.2349 -10.2349 -10.2330 -10.2330 -9.6799 -9.6799 -9.6779 -9.6779 -2.6148 -2.6148 -2.6144 -2.6144 -1.7084 -1.7084 -1.7083 -1.7083 0.1608 0.1608 0.1637 0.1637 0.6026 0.6026 0.6101 0.6101 1.3218 1.3218 1.3330 1.3330 2.1827 2.1827 2.1871 2.1871 3.3158 3.3158 3.3160 3.3160 4.0101 4.0101 4.0110 4.0110 4.3173 4.3173 4.3208 4.3208 12.1886 12.1886 12.1925 12.1925 12.3511 12.3511 12.3645 12.3645 12.8764 12.8764 k = 0.2773 0.4461 0.5366 ( 4398 PWs) bands (ev): -13.3362 -13.3362 -13.3361 -13.3361 -10.1965 -10.1965 -10.1946 -10.1946 -9.7123 -9.7123 -9.7103 -9.7103 -2.6717 -2.6717 -2.6714 -2.6714 -1.6264 -1.6264 -1.6263 -1.6263 0.1258 0.1258 0.1284 0.1284 0.5940 0.5940 0.6018 0.6018 1.3301 1.3301 1.3409 1.3409 2.1812 2.1812 2.1858 2.1858 3.3187 3.3187 3.3192 3.3192 3.9897 3.9897 3.9906 3.9906 4.3524 4.3524 4.3557 4.3557 12.1999 12.1999 12.2034 12.2034 12.3215 12.3215 12.3347 12.3347 12.8947 12.8947 k = 0.2686 0.4321 0.5366 ( 4402 PWs) bands (ev): -13.3405 -13.3405 -13.3404 -13.3404 -10.1571 -10.1571 -10.1551 -10.1551 -9.7444 -9.7444 -9.7424 -9.7424 -2.7303 -2.7303 -2.7301 -2.7301 -1.5448 -1.5448 -1.5444 -1.5444 0.0897 0.0897 0.0919 0.0919 0.5855 0.5855 0.5936 0.5936 1.3397 1.3397 1.3501 1.3501 2.1816 2.1816 2.1864 2.1864 3.3209 3.3209 3.3217 3.3217 3.9708 3.9708 3.9716 3.9716 4.3880 4.3880 4.3911 4.3911 12.2010 12.2010 12.2040 12.2040 12.2871 12.2871 12.3000 12.3000 12.9232 12.9232 k = 0.2599 0.4182 0.5366 ( 4386 PWs) bands (ev): -13.3448 -13.3448 -13.3446 -13.3446 -10.1167 -10.1167 -10.1147 -10.1147 -9.7760 -9.7760 -9.7740 -9.7740 -2.7904 -2.7904 -2.7903 -2.7903 -1.4636 -1.4636 -1.4630 -1.4630 0.0527 0.0527 0.0546 0.0546 0.5772 0.5772 0.5856 0.5856 1.3507 1.3507 1.3607 1.3607 2.1839 2.1839 2.1889 2.1889 3.3225 3.3225 3.3237 3.3237 3.9533 3.9533 3.9540 3.9540 4.4242 4.4242 4.4271 4.4271 12.1930 12.1930 12.1959 12.1959 12.2483 12.2483 12.2607 12.2607 12.9600 12.9600 k = 0.2513 0.4043 0.5366 ( 4394 PWs) bands (ev): -13.3491 -13.3491 -13.3490 -13.3490 -10.0755 -10.0755 -10.0734 -10.0734 -9.8071 -9.8071 -9.8051 -9.8051 -2.8519 -2.8519 -2.8519 -2.8519 -1.3833 -1.3833 -1.3824 -1.3824 0.0150 0.0150 0.0167 0.0167 0.5691 0.5691 0.5778 0.5778 1.3628 1.3628 1.3724 1.3724 2.1881 2.1881 2.1933 2.1933 3.3236 3.3236 3.3251 3.3251 3.9372 3.9372 3.9378 3.9378 4.4606 4.4606 4.4633 4.4633 12.1775 12.1775 12.1807 12.1807 12.2058 12.2058 12.2173 12.2173 13.0026 13.0026 k = 0.2426 0.3903 0.5366 ( 4378 PWs) bands (ev): -13.3536 -13.3536 -13.3534 -13.3534 -10.0335 -10.0335 -10.0314 -10.0314 -9.8375 -9.8375 -9.8356 -9.8356 -2.9147 -2.9147 -2.9146 -2.9146 -1.3041 -1.3041 -1.3029 -1.3029 -0.0231 -0.0231 -0.0217 -0.0217 0.5613 0.5613 0.5704 0.5704 1.3760 1.3760 1.3852 1.3852 2.1944 2.1944 2.1997 2.1997 3.3242 3.3242 3.3260 3.3260 3.9225 3.9225 3.9230 3.9230 4.4973 4.4973 4.4998 4.4998 12.1521 12.1521 12.1604 12.1604 12.1645 12.1645 12.1702 12.1702 13.0485 13.0485 k = 0.2339 0.3764 0.5366 ( 4372 PWs) bands (ev): -13.3580 -13.3580 -13.3579 -13.3579 -9.9908 -9.9908 -9.9887 -9.9887 -9.8673 -9.8673 -9.8654 -9.8654 -2.9786 -2.9786 -2.9785 -2.9785 -1.2264 -1.2264 -1.2248 -1.2248 -0.0614 -0.0614 -0.0602 -0.0602 0.5538 0.5538 0.5632 0.5632 1.3902 1.3902 1.3990 1.3990 2.2025 2.2025 2.2081 2.2081 3.3244 3.3244 3.3265 3.3265 3.9091 3.9091 3.9096 3.9096 4.5340 4.5340 4.5363 4.5363 12.1062 12.1062 12.1195 12.1195 12.1370 12.1370 12.1371 12.1371 13.0947 13.0947 k = 0.2253 0.3624 0.5366 ( 4368 PWs) bands (ev): -13.3625 -13.3625 -13.3624 -13.3624 -9.9475 -9.9475 -9.9454 -9.9454 -9.8964 -9.8964 -9.8945 -9.8945 -3.0435 -3.0435 -3.0432 -3.0432 -1.1503 -1.1503 -1.1485 -1.1485 -0.0997 -0.0997 -0.0987 -0.0987 0.5469 0.5469 0.5566 0.5566 1.4052 1.4052 1.4136 1.4136 2.2126 2.2126 2.2183 2.2183 3.3243 3.3243 3.3268 3.3268 3.8970 3.8970 3.8974 3.8974 4.5707 4.5707 4.5728 4.5728 12.0541 12.0541 12.0666 12.0666 12.1110 12.1110 12.1115 12.1115 13.1385 13.1385 k = 0.2166 0.3485 0.5366 ( 4372 PWs) bands (ev): -13.3670 -13.3670 -13.3669 -13.3669 -9.9248 -9.9248 -9.9229 -9.9229 -9.9036 -9.9036 -9.9015 -9.9015 -3.1090 -3.1090 -3.1087 -3.1087 -1.0764 -1.0764 -1.0742 -1.0742 -0.1378 -0.1378 -0.1370 -0.1370 0.5404 0.5404 0.5504 0.5504 1.4210 1.4210 1.4290 1.4290 2.2245 2.2245 2.2304 2.2304 3.3240 3.3240 3.3269 3.3269 3.8861 3.8861 3.8865 3.8865 4.6072 4.6072 4.6091 4.6091 11.9996 11.9996 12.0114 12.0114 12.0843 12.0843 12.0848 12.0848 13.1771 13.1771 k = 0.2080 0.3346 0.5366 ( 4370 PWs) bands (ev): -13.3715 -13.3715 -13.3714 -13.3714 -9.9522 -9.9522 -9.9504 -9.9504 -9.8595 -9.8595 -9.8574 -9.8574 -3.1752 -3.1752 -3.1748 -3.1748 -1.0047 -1.0047 -1.0022 -1.0022 -0.1756 -0.1756 -0.1749 -0.1749 0.5345 0.5345 0.5448 0.5448 1.4373 1.4373 1.4450 1.4450 2.2382 2.2382 2.2443 2.2443 3.3237 3.3237 3.3269 3.3269 3.8764 3.8764 3.8767 3.8767 4.6434 4.6434 4.6451 4.6451 11.9435 11.9435 11.9547 11.9547 12.0575 12.0575 12.0580 12.0580 13.2075 13.2075 k = 0.1993 0.3206 0.5366 ( 4370 PWs) bands (ev): -13.3760 -13.3760 -13.3759 -13.3759 -9.9787 -9.9787 -9.9770 -9.9770 -9.8151 -9.8151 -9.8130 -9.8130 -3.2416 -3.2416 -3.2412 -3.2412 -0.9357 -0.9357 -0.9328 -0.9328 -0.2127 -0.2127 -0.2122 -0.2122 0.5293 0.5293 0.5398 0.5398 1.4542 1.4542 1.4615 1.4615 2.2536 2.2536 2.2599 2.2599 3.3234 3.3234 3.3269 3.3269 3.8677 3.8677 3.8680 3.8680 4.6791 4.6791 4.6806 4.6806 11.8862 11.8862 11.8969 11.8969 12.0313 12.0313 12.0317 12.0317 13.2271 13.2271 k = 0.1906 0.3067 0.5366 ( 4370 PWs) bands (ev): -13.3805 -13.3805 -13.3803 -13.3803 -10.0043 -10.0043 -10.0026 -10.0026 -9.7706 -9.7706 -9.7685 -9.7685 -3.3082 -3.3082 -3.3077 -3.3077 -0.8694 -0.8694 -0.8662 -0.8662 -0.2491 -0.2491 -0.2488 -0.2488 0.5248 0.5248 0.5356 0.5356 1.4715 1.4715 1.4784 1.4784 2.2705 2.2705 2.2769 2.2769 3.3232 3.3232 3.3271 3.3271 3.8601 3.8601 3.8603 3.8603 4.7142 4.7142 4.7155 4.7155 11.8283 11.8283 11.8385 11.8385 12.0060 12.0060 12.0063 12.0063 13.2338 13.2338 k = 0.1820 0.2927 0.5366 ( 4374 PWs) bands (ev): -13.3849 -13.3849 -13.3848 -13.3848 -10.0290 -10.0290 -10.0274 -10.0274 -9.7261 -9.7261 -9.7240 -9.7240 -3.3747 -3.3747 -3.3741 -3.3741 -0.8063 -0.8063 -0.8027 -0.8027 -0.2846 -0.2846 -0.2844 -0.2844 0.5212 0.5212 0.5322 0.5322 1.4890 1.4890 1.4956 1.4956 2.2886 2.2886 2.2952 2.2952 3.3233 3.3233 3.3276 3.3276 3.8535 3.8535 3.8536 3.8536 4.7486 4.7486 4.7497 4.7497 11.7701 11.7701 11.7799 11.7799 11.9820 11.9820 11.9823 11.9823 13.2267 13.2268 k = 0.1733 0.2788 0.5366 ( 4370 PWs) bands (ev): -13.3892 -13.3892 -13.3891 -13.3891 -10.0526 -10.0526 -10.0511 -10.0511 -9.6817 -9.6817 -9.6796 -9.6796 -3.4408 -3.4408 -3.4401 -3.4401 -0.7464 -0.7464 -0.7425 -0.7425 -0.3192 -0.3192 -0.3190 -0.3190 0.5185 0.5185 0.5297 0.5297 1.5066 1.5066 1.5128 1.5128 2.3079 2.3079 2.3145 2.3145 3.3239 3.3239 3.3284 3.3284 3.8477 3.8477 3.8478 3.8478 4.7822 4.7822 4.7831 4.7831 11.7123 11.7123 11.7216 11.7216 11.9597 11.9597 11.9599 11.9599 13.2067 13.2067 k = 0.1646 0.2649 0.5366 ( 4374 PWs) bands (ev): -13.3935 -13.3935 -13.3934 -13.3934 -10.0753 -10.0753 -10.0738 -10.0738 -9.6377 -9.6377 -9.6356 -9.6356 -3.5063 -3.5063 -3.5055 -3.5055 -0.6900 -0.6900 -0.6857 -0.6857 -0.3525 -0.3525 -0.3525 -0.3525 0.5168 0.5168 0.5281 0.5281 1.5243 1.5243 1.5302 1.5302 2.3280 2.3280 2.3347 2.3347 3.3249 3.3249 3.3297 3.3297 3.8427 3.8427 3.8427 3.8427 4.8148 4.8148 4.8156 4.8156 11.6550 11.6550 11.6638 11.6638 11.9393 11.9393 11.9394 11.9394 13.1754 13.1754 k = 0.1560 0.2509 0.5366 ( 4378 PWs) bands (ev): -13.3976 -13.3976 -13.3975 -13.3975 -10.0968 -10.0968 -10.0954 -10.0954 -9.5941 -9.5941 -9.5920 -9.5920 -3.5709 -3.5709 -3.5701 -3.5701 -0.6372 -0.6372 -0.6327 -0.6327 -0.3847 -0.3847 -0.3847 -0.3847 0.5162 0.5162 0.5275 0.5275 1.5419 1.5419 1.5474 1.5474 2.3487 2.3487 2.3555 2.3555 3.3266 3.3266 3.3317 3.3317 3.8385 3.8385 3.8385 3.8385 4.8464 4.8464 4.8470 4.8470 11.5986 11.5986 11.6070 11.6070 11.9209 11.9209 11.9209 11.9209 13.1356 13.1356 k = 0.1473 0.2370 0.5366 ( 4378 PWs) bands (ev): -13.4017 -13.4017 -13.4016 -13.4016 -10.1173 -10.1173 -10.1160 -10.1160 -9.5512 -9.5512 -9.5492 -9.5492 -3.6344 -3.6344 -3.6335 -3.6335 -0.5881 -0.5881 -0.5833 -0.5833 -0.4155 -0.4155 -0.4154 -0.4154 0.5165 0.5165 0.5278 0.5278 1.5592 1.5592 1.5644 1.5644 2.3696 2.3696 2.3765 2.3765 3.3291 3.3291 3.3344 3.3344 3.8348 3.8348 3.8349 3.8349 4.8769 4.8769 4.8773 4.8773 11.5436 11.5436 11.5515 11.5515 11.9045 11.9045 11.9046 11.9046 13.0898 13.0898 k = 0.1386 0.2230 0.5366 ( 4372 PWs) bands (ev): -13.4056 -13.4056 -13.4055 -13.4055 -10.1367 -10.1367 -10.1354 -10.1354 -9.5091 -9.5091 -9.5071 -9.5071 -3.6964 -3.6964 -3.6955 -3.6955 -0.5429 -0.5429 -0.5378 -0.5378 -0.4449 -0.4449 -0.4447 -0.4447 0.5180 0.5180 0.5292 0.5292 1.5763 1.5763 1.5812 1.5812 2.3905 2.3905 2.3974 2.3974 3.3325 3.3325 3.3379 3.3379 3.8318 3.8318 3.8319 3.8319 4.9061 4.9061 4.9063 4.9063 11.4901 11.4901 11.4976 11.4976 11.8903 11.8903 11.8904 11.8904 13.0404 13.0404 k = 0.1300 0.2091 0.5366 ( 4376 PWs) bands (ev): -13.4094 -13.4094 -13.4093 -13.4093 -10.1550 -10.1550 -10.1538 -10.1538 -9.4680 -9.4680 -9.4661 -9.4661 -3.7567 -3.7567 -3.7558 -3.7558 -0.5016 -0.5016 -0.4963 -0.4963 -0.4727 -0.4727 -0.4723 -0.4723 0.5205 0.5205 0.5315 0.5315 1.5929 1.5929 1.5975 1.5975 2.4112 2.4112 2.4180 2.4180 3.3367 3.3367 3.3423 3.3423 3.8294 3.8294 3.8295 3.8295 4.9339 4.9339 4.9340 4.9340 11.4386 11.4386 11.4456 11.4456 11.8783 11.8783 11.8784 11.8784 12.9892 12.9892 k = 0.1213 0.1952 0.5366 ( 4376 PWs) bands (ev): -13.4130 -13.4130 -13.4129 -13.4129 -10.1722 -10.1722 -10.1710 -10.1710 -9.4281 -9.4281 -9.4263 -9.4263 -3.8150 -3.8150 -3.8141 -3.8141 -0.4994 -0.4994 -0.4992 -0.4992 -0.4631 -0.4631 -0.4583 -0.4583 0.5240 0.5240 0.5348 0.5348 1.6090 1.6090 1.6132 1.6132 2.4312 2.4312 2.4379 2.4379 3.3420 3.3420 3.3476 3.3476 3.8274 3.8274 3.8275 3.8275 4.9603 4.9603 4.9603 4.9603 11.3891 11.3891 11.3957 11.3957 11.8684 11.8684 11.8686 11.8686 12.9378 12.9378 k = 0.1126 0.1812 0.5366 ( 4384 PWs) bands (ev): -13.4164 -13.4164 -13.4163 -13.4163 -10.1882 -10.1882 -10.1871 -10.1871 -9.3897 -9.3897 -9.3880 -9.3880 -3.8710 -3.8710 -3.8701 -3.8701 -0.5239 -0.5239 -0.5238 -0.5238 -0.4293 -0.4293 -0.4243 -0.4243 0.5284 0.5284 0.5388 0.5388 1.6245 1.6245 1.6284 1.6284 2.4504 2.4504 2.4569 2.4569 3.3481 3.3481 3.3538 3.3538 3.8258 3.8258 3.8260 3.8260 4.9850 4.9850 4.9851 4.9851 11.3421 11.3421 11.3482 11.3482 11.8604 11.8604 11.8607 11.8607 12.8874 12.8874 k = 0.1040 0.1673 0.5366 ( 4392 PWs) bands (ev): -13.4197 -13.4197 -13.4196 -13.4196 -10.2030 -10.2030 -10.2020 -10.2020 -9.3529 -9.3529 -9.3513 -9.3513 -3.9244 -3.9244 -3.9236 -3.9236 -0.5469 -0.5469 -0.5468 -0.5468 -0.3989 -0.3989 -0.3939 -0.3939 0.5336 0.5336 0.5436 0.5436 1.6392 1.6392 1.6429 1.6429 2.4684 2.4684 2.4748 2.4748 3.3552 3.3552 3.3608 3.3608 3.8246 3.8246 3.8248 3.8248 5.0082 5.0082 5.0084 5.0084 11.2976 11.2976 11.3032 11.3032 11.8543 11.8543 11.8546 11.8546 12.8389 12.8389 k = 0.0953 0.1533 0.5366 ( 4404 PWs) bands (ev): -13.4227 -13.4227 -13.4227 -13.4227 -10.2167 -10.2167 -10.2158 -10.2158 -9.3180 -9.3180 -9.3164 -9.3164 -3.9749 -3.9749 -3.9741 -3.9741 -0.5682 -0.5682 -0.5680 -0.5680 -0.3719 -0.3719 -0.3671 -0.3671 0.5394 0.5394 0.5489 0.5489 1.6532 1.6532 1.6565 1.6565 2.4852 2.4852 2.4913 2.4913 3.3631 3.3631 3.3686 3.3686 3.8237 3.8237 3.8239 3.8239 5.0297 5.0297 5.0299 5.0299 11.2560 11.2560 11.2611 11.2611 11.8499 11.8499 11.8503 11.8503 12.7931 12.7931 k = 0.0866 0.1394 0.5366 ( 4414 PWs) bands (ev): -13.4256 -13.4256 -13.4255 -13.4255 -10.2292 -10.2292 -10.2284 -10.2284 -9.2852 -9.2852 -9.2837 -9.2837 -4.0223 -4.0223 -4.0214 -4.0214 -0.5877 -0.5877 -0.5876 -0.5876 -0.3482 -0.3482 -0.3436 -0.3436 0.5457 0.5457 0.5546 0.5546 1.6663 1.6663 1.6692 1.6692 2.5006 2.5006 2.5063 2.5063 3.3716 3.3716 3.3769 3.3769 3.8231 3.8231 3.8232 3.8232 5.0495 5.0495 5.0498 5.0498 11.2173 11.2173 11.2220 11.2220 11.8470 11.8470 11.8473 11.8473 12.7506 12.7506 k = 0.0780 0.1255 0.5366 ( 4406 PWs) bands (ev): -13.4282 -13.4282 -13.4281 -13.4281 -10.2405 -10.2405 -10.2398 -10.2398 -9.2546 -9.2546 -9.2533 -9.2533 -4.0661 -4.0661 -4.0653 -4.0653 -0.6054 -0.6054 -0.6053 -0.6053 -0.3275 -0.3275 -0.3232 -0.3232 0.5522 0.5522 0.5604 0.5604 1.6783 1.6783 1.6810 1.6810 2.5144 2.5144 2.5198 2.5198 3.3806 3.3806 3.3856 3.3856 3.8226 3.8226 3.8228 3.8228 5.0675 5.0675 5.0679 5.0679 11.1819 11.1819 11.1861 11.1861 11.8452 11.8452 11.8455 11.8455 12.7118 12.7118 k = 0.0693 0.1115 0.5366 ( 4410 PWs) bands (ev): -13.4305 -13.4305 -13.4305 -13.4305 -10.2507 -10.2507 -10.2500 -10.2500 -9.2266 -9.2266 -9.2254 -9.2254 -4.1062 -4.1062 -4.1055 -4.1055 -0.6214 -0.6214 -0.6213 -0.6213 -0.3097 -0.3097 -0.3058 -0.3058 0.5588 0.5588 0.5663 0.5663 1.6894 1.6894 1.6918 1.6918 2.5267 2.5267 2.5316 2.5316 3.3897 3.3897 3.3944 3.3944 3.8224 3.8224 3.8225 3.8225 5.0837 5.0837 5.0841 5.0841 11.1497 11.1497 11.1535 11.1535 11.8443 11.8443 11.8447 11.8447 12.6772 12.6772 k = 0.0607 0.0976 0.5366 ( 4406 PWs) bands (ev): -13.4326 -13.4326 -13.4326 -13.4326 -10.2596 -10.2596 -10.2591 -10.2591 -9.2013 -9.2013 -9.2002 -9.2002 -4.1423 -4.1423 -4.1416 -4.1416 -0.6355 -0.6355 -0.6354 -0.6354 -0.2946 -0.2946 -0.2910 -0.2910 0.5653 0.5653 0.5720 0.5720 1.6993 1.6993 1.7014 1.7014 2.5374 2.5374 2.5418 2.5418 3.3988 3.3988 3.4030 3.4030 3.8222 3.8222 3.8224 3.8224 5.0981 5.0981 5.0985 5.0985 11.1211 11.1211 11.1244 11.1244 11.8441 11.8441 11.8445 11.8445 12.6468 12.6469 k = 0.0520 0.0836 0.5366 ( 4406 PWs) bands (ev): -13.4345 -13.4345 -13.4344 -13.4344 -10.2674 -10.2674 -10.2669 -10.2669 -9.1789 -9.1789 -9.1779 -9.1779 -4.1741 -4.1741 -4.1735 -4.1735 -0.6477 -0.6477 -0.6476 -0.6476 -0.2819 -0.2819 -0.2788 -0.2788 0.5715 0.5715 0.5772 0.5772 1.7080 1.7080 1.7098 1.7098 2.5465 2.5465 2.5503 2.5503 3.4075 3.4075 3.4113 3.4113 3.8222 3.8222 3.8223 3.8223 5.1107 5.1107 5.1110 5.1110 11.0960 11.0960 11.0988 11.0988 11.8444 11.8444 11.8447 11.8447 12.6209 12.6209 k = 0.0433 0.0697 0.5366 ( 4422 PWs) bands (ev): -13.4360 -13.4360 -13.4360 -13.4360 -10.2740 -10.2740 -10.2736 -10.2736 -9.1596 -9.1596 -9.1588 -9.1588 -4.2014 -4.2014 -4.2009 -4.2009 -0.6581 -0.6581 -0.6581 -0.6581 -0.2715 -0.2715 -0.2688 -0.2688 0.5771 0.5771 0.5820 0.5820 1.7156 1.7156 1.7170 1.7170 2.5541 2.5541 2.5574 2.5574 3.4155 3.4155 3.4187 3.4187 3.8222 3.8222 3.8223 3.8223 5.1213 5.1213 5.1216 5.1216 11.0746 11.0746 11.0770 11.0770 11.8448 11.8448 11.8451 11.8451 12.5994 12.5994 k = 0.0347 0.0558 0.5366 ( 4420 PWs) bands (ev): -13.4373 -13.4373 -13.4373 -13.4373 -10.2793 -10.2793 -10.2790 -10.2790 -9.1435 -9.1435 -9.1429 -9.1429 -4.2240 -4.2240 -4.2236 -4.2236 -0.6667 -0.6667 -0.6666 -0.6666 -0.2631 -0.2631 -0.2610 -0.2610 0.5820 0.5820 0.5859 0.5859 1.7218 1.7218 1.7230 1.7230 2.5603 2.5603 2.5629 2.5629 3.4226 3.4226 3.4252 3.4252 3.8223 3.8223 3.8224 3.8224 5.1300 5.1300 5.1303 5.1303 11.0571 11.0571 11.0590 11.0590 11.8454 11.8454 11.8456 11.8456 12.5822 12.5822 k = 0.0260 0.0418 0.5366 ( 4416 PWs) bands (ev): -13.4383 -13.4383 -13.4383 -13.4383 -10.2835 -10.2835 -10.2833 -10.2833 -9.1309 -9.1309 -9.1304 -9.1304 -4.2418 -4.2418 -4.2415 -4.2415 -0.6733 -0.6733 -0.6732 -0.6732 -0.2567 -0.2567 -0.2551 -0.2551 0.5861 0.5861 0.5891 0.5891 1.7267 1.7267 1.7276 1.7276 2.5651 2.5651 2.5671 2.5671 3.4285 3.4285 3.4305 3.4305 3.8223 3.8223 3.8224 3.8224 5.1369 5.1369 5.1371 5.1371 11.0434 11.0434 11.0448 11.0448 11.8459 11.8459 11.8461 11.8461 12.5691 12.5691 k = 0.0173 0.0279 0.5366 ( 4424 PWs) bands (ev): -13.4391 -13.4391 -13.4391 -13.4391 -10.2865 -10.2865 -10.2863 -10.2863 -9.1217 -9.1217 -9.1214 -9.1214 -4.2546 -4.2546 -4.2544 -4.2544 -0.6780 -0.6780 -0.6780 -0.6780 -0.2522 -0.2522 -0.2511 -0.2511 0.5893 0.5893 0.5913 0.5913 1.7303 1.7303 1.7309 1.7309 2.5685 2.5685 2.5699 2.5699 3.4329 3.4329 3.4343 3.4343 3.8224 3.8224 3.8224 3.8224 5.1417 5.1417 5.1419 5.1419 11.0336 11.0336 11.0346 11.0346 11.8463 11.8463 11.8464 11.8464 12.5599 12.5599 k = 0.0087 0.0139 0.5366 ( 4420 PWs) bands (ev): -13.4395 -13.4395 -13.4395 -13.4395 -10.2882 -10.2882 -10.2882 -10.2882 -9.1162 -9.1162 -9.1160 -9.1160 -4.2622 -4.2622 -4.2621 -4.2621 -0.6809 -0.6809 -0.6808 -0.6808 -0.2494 -0.2494 -0.2488 -0.2488 0.5914 0.5914 0.5924 0.5924 1.7325 1.7325 1.7328 1.7328 2.5707 2.5707 2.5714 2.5714 3.4358 3.4358 3.4365 3.4365 3.8224 3.8224 3.8225 3.8225 5.1447 5.1447 5.1448 5.1448 11.0279 11.0279 11.0284 11.0284 11.8466 11.8466 11.8466 11.8466 12.5545 12.5545 k = 0.0000 0.0000 0.5366 ( 4424 PWs) bands (ev): -13.4396 -13.4396 -13.4396 -13.4396 -10.2888 -10.2888 -10.2888 -10.2888 -9.1143 -9.1143 -9.1143 -9.1143 -4.2648 -4.2648 -4.2648 -4.2648 -0.6818 -0.6818 -0.6818 -0.6818 -0.2483 -0.2483 -0.2483 -0.2483 0.5924 0.5924 0.5924 0.5924 1.7334 1.7334 1.7334 1.7334 2.5717 2.5717 2.5717 2.5717 3.4370 3.4370 3.4370 3.4370 3.8225 3.8225 3.8225 3.8225 5.1457 5.1457 5.1457 5.1457 11.0261 11.0261 11.0261 11.0261 11.8467 11.8467 11.8467 11.8467 12.5528 12.5528 k = 0.0000 0.0000 0.5366 ( 4424 PWs) bands (ev): -13.4396 -13.4396 -13.4396 -13.4396 -10.2888 -10.2888 -10.2888 -10.2888 -9.1143 -9.1143 -9.1143 -9.1143 -4.2648 -4.2648 -4.2648 -4.2648 -0.6818 -0.6818 -0.6818 -0.6818 -0.2483 -0.2483 -0.2483 -0.2483 0.5924 0.5924 0.5924 0.5924 1.7334 1.7334 1.7334 1.7334 2.5717 2.5717 2.5717 2.5717 3.4370 3.4370 3.4370 3.4370 3.8225 3.8225 3.8225 3.8225 5.1457 5.1457 5.1457 5.1457 11.0261 11.0261 11.0261 11.0261 11.8467 11.8467 11.8467 11.8467 12.5528 12.5528 k = 0.0000 0.0000 0.5204 ( 4426 PWs) bands (ev): -13.4537 -13.4537 -13.4258 -13.4258 -10.3285 -10.3285 -10.2480 -10.2480 -9.1159 -9.1159 -9.1132 -9.1132 -4.2687 -4.2687 -4.2583 -4.2583 -0.7039 -0.7039 -0.6593 -0.6593 -0.3423 -0.3423 -0.1664 -0.1664 0.5847 0.5847 0.6126 0.6126 1.7111 1.7111 1.7508 1.7508 2.5710 2.5710 2.5740 2.5740 3.4286 3.4286 3.4450 3.4450 3.7970 3.7970 3.8469 3.8469 5.1263 5.1263 5.1641 5.1641 11.0308 11.0308 11.0314 11.0314 11.8372 11.8372 11.8560 11.8560 12.5157 12.5157 k = 0.0000 0.0000 0.5041 ( 4428 PWs) bands (ev): -13.4678 -13.4678 -13.4121 -13.4121 -10.3672 -10.3672 -10.2062 -10.2062 -9.1180 -9.1180 -9.1127 -9.1127 -4.2700 -4.2700 -4.2493 -4.2493 -0.7256 -0.7256 -0.6366 -0.6366 -0.4454 -0.4454 -0.0997 -0.0997 0.5864 0.5864 0.6477 0.6477 1.6843 1.6843 1.7635 1.7635 2.5718 2.5718 2.5783 2.5783 3.4198 3.4198 3.4525 3.4525 3.7706 3.7706 3.8702 3.8702 5.1058 5.1058 5.1814 5.1814 11.0455 11.0455 11.0467 11.0467 11.8282 11.8282 11.8642 11.8642 12.4756 12.4756 k = 0.0000 0.0000 0.4879 ( 4422 PWs) bands (ev): -13.4820 -13.4820 -13.3986 -13.3986 -10.4047 -10.4047 -10.1635 -10.1635 -9.1206 -9.1206 -9.1127 -9.1127 -4.2689 -4.2689 -4.2376 -4.2376 -0.7468 -0.7468 -0.6137 -0.6137 -0.5547 -0.5547 -0.0497 -0.0497 0.5954 0.5954 0.6992 0.6992 1.6531 1.6531 1.7711 1.7711 2.5739 2.5739 2.5845 2.5845 3.4107 3.4107 3.4596 3.4596 3.7436 3.7436 3.8922 3.8922 5.0845 5.0845 5.1976 5.1976 11.0701 11.0701 11.0718 11.0718 11.8201 11.8201 11.8699 11.8699 12.4349 12.4349 k = 0.0000 0.0000 0.4716 ( 4418 PWs) bands (ev): -13.4962 -13.4962 -13.3853 -13.3853 -10.4410 -10.4410 -10.1198 -10.1198 -9.1237 -9.1237 -9.1132 -9.1132 -4.2653 -4.2653 -4.2235 -4.2235 -0.7673 -0.7673 -0.6687 -0.6687 -0.5904 -0.5904 -0.0160 -0.0160 0.6096 0.6096 0.7660 0.7660 1.6176 1.6176 1.7737 1.7737 2.5773 2.5773 2.5931 2.5931 3.4012 3.4012 3.4662 3.4662 3.7161 3.7161 3.9131 3.9131 5.0623 5.0623 5.2126 5.2126 11.1044 11.1044 11.1067 11.1067 11.8130 11.8130 11.8708 11.8708 12.3966 12.3966 k = 0.0000 0.0000 0.4553 ( 4418 PWs) bands (ev): -13.5104 -13.5104 -13.3723 -13.3723 -10.4761 -10.4761 -10.0754 -10.0754 -9.1273 -9.1273 -9.1142 -9.1142 -4.2593 -4.2593 -4.2067 -4.2067 -0.7874 -0.7874 -0.7849 -0.7849 -0.5674 -0.5674 0.0038 0.0038 0.6278 0.6278 0.8456 0.8456 1.5781 1.5781 1.7711 1.7711 2.5816 2.5816 2.6041 2.6041 3.3914 3.3914 3.4723 3.4723 3.6885 3.6885 3.9327 3.9327 5.0394 5.0394 5.2265 5.2265 11.1481 11.1481 11.1510 11.1510 11.8070 11.8070 11.8644 11.8644 12.3640 12.3640 k = 0.0000 0.0000 0.4391 ( 4412 PWs) bands (ev): -13.5246 -13.5246 -13.3596 -13.3596 -10.5100 -10.5100 -10.0302 -10.0302 -9.1313 -9.1313 -9.1157 -9.1157 -4.2511 -4.2511 -4.1876 -4.1876 -0.9031 -0.9031 -0.8062 -0.8062 -0.5444 -0.5444 0.0129 0.0129 0.6490 0.6490 0.9341 0.9341 1.5348 1.5348 1.7635 1.7635 2.5867 2.5867 2.6180 2.6180 3.3814 3.3814 3.4780 3.4780 3.6609 3.6609 3.9511 3.9511 5.0158 5.0158 5.2392 5.2392 11.2010 11.2010 11.2046 11.2046 11.8021 11.8021 11.8479 11.8479 12.3408 12.3408 k = 0.0000 0.0000 0.4228 ( 4404 PWs) bands (ev): -13.5387 -13.5387 -13.3472 -13.3472 -10.5426 -10.5426 -9.9844 -9.9844 -9.1357 -9.1357 -9.1177 -9.1177 -4.2407 -4.2407 -4.1660 -4.1660 -1.0217 -1.0217 -0.8243 -0.8243 -0.5215 -0.5215 0.0141 0.0141 0.6725 0.6725 1.0283 1.0283 1.4879 1.4879 1.7506 1.7506 2.5926 2.5926 2.6349 2.6349 3.3711 3.3711 3.4831 3.4831 3.6337 3.6337 3.9684 3.9684 4.9917 4.9917 5.2508 5.2508 11.2627 11.2627 11.2670 11.2670 11.7983 11.7983 11.8193 11.8193 12.3295 12.3295 k = 0.0000 0.0000 0.4065 ( 4412 PWs) bands (ev): -13.5527 -13.5527 -13.3351 -13.3351 -10.5740 -10.5740 -9.9381 -9.9381 -9.1405 -9.1405 -9.1200 -9.1200 -4.2282 -4.2282 -4.1421 -4.1421 -1.1403 -1.1403 -0.8416 -0.8416 -0.4989 -0.4989 0.0099 0.0099 0.6977 0.6977 1.1251 1.1251 1.4377 1.4377 1.7328 1.7328 2.5990 2.5990 2.6552 2.6552 3.3606 3.3606 3.4877 3.4877 3.6072 3.6072 3.9847 3.9847 4.9671 4.9671 5.2613 5.2613 11.3328 11.3328 11.3379 11.3379 11.7787 11.7787 11.7954 11.7954 12.3306 12.3306 k = 0.0000 0.0000 0.3903 ( 4408 PWs) bands (ev): -13.5665 -13.5665 -13.3234 -13.3234 -10.6041 -10.6041 -9.8914 -9.8914 -9.1456 -9.1456 -9.1228 -9.1228 -4.2139 -4.2139 -4.1160 -4.1160 -1.2582 -1.2582 -0.8578 -0.8578 -0.4766 -0.4766 0.0019 0.0019 0.7244 0.7244 1.2223 1.2223 1.3846 1.3846 1.7100 1.7100 2.6058 2.6058 2.6792 2.6792 3.3500 3.3500 3.4919 3.4919 3.5817 3.5817 4.0000 4.0000 4.9423 4.9423 5.2707 5.2707 11.4107 11.4107 11.4169 11.4169 11.7276 11.7276 11.7931 11.7931 12.3429 12.3429 k = 0.0000 0.0000 0.3740 ( 4388 PWs) bands (ev): -13.5802 -13.5802 -13.3120 -13.3120 -10.6330 -10.6330 -9.8443 -9.8443 -9.1511 -9.1511 -9.1259 -9.1259 -4.1977 -4.1977 -4.0879 -4.0879 -1.3749 -1.3749 -0.8729 -0.8729 -0.4547 -0.4547 -0.0086 -0.0086 0.7522 0.7522 1.3179 1.3179 1.3288 1.3288 1.6824 1.6824 2.6128 2.6128 2.7073 2.7073 3.3393 3.3393 3.4955 3.4955 3.5574 3.5574 4.0145 4.0145 4.9173 4.9173 5.2791 5.2791 11.4961 11.4961 11.5035 11.5035 11.6684 11.6684 11.7914 11.7914 12.3645 12.3645 k = 0.0000 0.0000 0.3578 ( 4400 PWs) bands (ev): -13.5936 -13.5936 -13.3011 -13.3011 -10.6605 -10.6605 -9.7971 -9.7971 -9.1567 -9.1567 -9.1294 -9.1294 -4.1800 -4.1800 -4.0578 -4.0578 -1.4900 -1.4900 -0.8869 -0.8869 -0.4333 -0.4333 -0.0207 -0.0207 0.7808 0.7808 1.2704 1.2704 1.4108 1.4108 1.6503 1.6503 2.6199 2.6199 2.7397 2.7397 3.3286 3.3286 3.4985 3.4985 3.5346 3.5346 4.0284 4.0284 4.8922 4.8922 5.2865 5.2865 11.5881 11.5881 11.5970 11.5970 11.6038 11.6038 11.7899 11.7899 12.3934 12.3934 k = 0.0000 0.0000 0.3415 ( 4400 PWs) bands (ev): -13.6067 -13.6067 -13.2905 -13.2905 -10.6868 -10.6868 -9.7498 -9.7498 -9.1626 -9.1626 -9.1331 -9.1331 -4.1609 -4.1609 -4.0259 -4.0259 -1.6032 -1.6032 -0.8997 -0.8997 -0.4125 -0.4125 -0.0339 -0.0339 0.8101 0.8101 1.2102 1.2102 1.4994 1.4994 1.6140 1.6140 2.6269 2.6269 2.7768 2.7768 3.3179 3.3179 3.4995 3.4995 3.5149 3.5149 4.0416 4.0416 4.8672 4.8672 5.2931 5.2931 11.5343 11.5343 11.6863 11.6863 11.6978 11.6978 11.7885 11.7885 12.4279 12.4279 k = 0.0000 0.0000 0.3252 ( 4400 PWs) bands (ev): -13.6195 -13.6195 -13.2804 -13.2804 -10.7118 -10.7118 -9.7027 -9.7027 -9.1686 -9.1686 -9.1370 -9.1370 -4.1405 -4.1405 -3.9924 -3.9924 -1.7140 -1.7140 -0.9112 -0.9112 -0.3923 -0.3923 -0.0477 -0.0477 0.8397 0.8397 1.1484 1.1484 1.5737 1.5737 1.5832 1.5832 2.6337 2.6337 2.8185 2.8185 3.3073 3.3073 3.4892 3.4892 3.5078 3.5078 4.0542 4.0542 4.8423 4.8423 5.2988 5.2988 11.4626 11.4626 11.7861 11.7861 11.7902 11.7902 11.8045 11.8045 12.4669 12.4669 k = 0.0000 0.0000 0.3090 ( 4396 PWs) bands (ev): -13.6320 -13.6320 -13.2707 -13.2707 -10.7355 -10.7355 -9.6559 -9.6559 -9.1747 -9.1747 -9.1411 -9.1411 -4.1191 -4.1191 -3.9575 -3.9575 -1.8221 -1.8221 -0.9214 -0.9214 -0.3728 -0.3728 -0.0617 -0.0617 0.8697 0.8697 1.0853 1.0853 1.5303 1.5303 1.6607 1.6607 2.6401 2.6401 2.8650 2.8650 3.2970 3.2970 3.4719 3.4719 3.5090 3.5090 4.0664 4.0664 4.8179 4.8179 5.3038 5.3038 11.3894 11.3894 11.7846 11.7846 11.8970 11.8970 11.9168 11.9168 12.5092 12.5092 k = 0.0000 0.0000 0.2927 ( 4388 PWs) bands (ev): -13.6441 -13.6441 -13.2614 -13.2614 -10.7580 -10.7580 -9.6095 -9.6095 -9.1809 -9.1809 -9.1454 -9.1454 -4.0968 -4.0968 -3.9214 -3.9214 -1.9273 -1.9273 -0.9302 -0.9302 -0.3541 -0.3541 -0.0758 -0.0758 0.8997 0.8997 1.0214 1.0214 1.4838 1.4838 1.7322 1.7322 2.6461 2.6461 2.9158 2.9158 3.2870 3.2870 3.4553 3.4553 3.5109 3.5109 4.0782 4.0782 4.7938 4.7938 5.3082 5.3082 11.3156 11.3156 11.7820 11.7820 12.0067 12.0067 12.0342 12.0342 12.5541 12.5541 k = 0.0000 0.0000 0.2765 ( 4384 PWs) bands (ev): -13.6557 -13.6557 -13.2526 -13.2526 -10.7791 -10.7791 -9.5638 -9.5638 -9.1870 -9.1870 -9.1498 -9.1498 -4.0740 -4.0740 -3.8844 -3.8844 -2.0292 -2.0292 -0.9377 -0.9377 -0.3363 -0.3363 -0.0896 -0.0896 0.9295 0.9295 0.9573 0.9573 1.4348 1.4348 1.7971 1.7971 2.6514 2.6514 2.9703 2.9703 3.2777 3.2777 3.4401 3.4401 3.5128 3.5128 4.0896 4.0896 4.7704 4.7704 5.3120 5.3120 11.2417 11.2417 11.7786 11.7786 12.1160 12.1160 12.1562 12.1562 12.6007 12.6007 k = 0.0000 0.0000 0.2602 ( 4388 PWs) bands (ev): -13.6669 -13.6669 -13.2443 -13.2443 -10.7990 -10.7990 -9.5190 -9.5190 -9.1931 -9.1931 -9.1542 -9.1542 -4.0507 -4.0507 -3.8467 -3.8467 -2.1274 -2.1274 -0.9437 -0.9437 -0.3195 -0.3195 -0.1032 -0.1032 0.8928 0.8928 0.9596 0.9596 1.3838 1.3838 1.8557 1.8557 2.6560 2.6560 3.0274 3.0274 3.2696 3.2696 3.4263 3.4263 3.5147 3.5147 4.1006 4.1006 4.7476 4.7476 5.3153 5.3153 11.1685 11.1685 11.7744 11.7744 12.2198 12.2198 12.2823 12.2823 12.6285 12.6285 k = 0.0000 0.0000 0.2439 ( 4396 PWs) bands (ev): -13.6776 -13.6776 -13.2365 -13.2365 -10.8177 -10.8177 -9.4752 -9.4752 -9.1991 -9.1991 -9.1585 -9.1585 -4.0273 -4.0273 -3.8086 -3.8086 -2.2217 -2.2217 -0.9484 -0.9484 -0.3037 -0.3037 -0.1162 -0.1162 0.8292 0.8292 0.9889 0.9889 1.3316 1.3316 1.9081 1.9081 2.6598 2.6598 3.0850 3.0850 3.2640 3.2640 3.4140 3.4140 3.5166 3.5166 4.1113 4.1113 4.7257 4.7257 5.3183 5.3183 11.0963 11.0963 11.7694 11.7694 12.3070 12.3070 12.4118 12.4118 12.6392 12.6392 k = 0.0000 0.0000 0.2277 ( 4400 PWs) bands (ev): -13.6878 -13.6878 -13.2291 -13.2291 -10.8351 -10.8351 -9.4327 -9.4327 -9.2050 -9.2050 -9.1629 -9.1629 -4.0039 -4.0039 -3.7704 -3.7704 -2.3118 -2.3118 -0.9518 -0.9518 -0.2890 -0.2890 -0.1288 -0.1288 0.7666 0.7666 1.0177 1.0177 1.2785 1.2785 1.9547 1.9547 2.6628 2.6628 3.1385 3.1385 3.2646 3.2646 3.4031 3.4031 3.5184 3.5184 4.1216 4.1216 4.7047 4.7047 5.3210 5.3210 11.0258 11.0258 11.7638 11.7638 12.3581 12.3581 12.5441 12.5441 12.6529 12.6529 k = 0.0000 0.0000 0.2114 ( 4400 PWs) bands (ev): -13.6974 -13.6974 -13.2222 -13.2222 -10.8512 -10.8512 -9.3917 -9.3917 -9.2107 -9.2107 -9.1672 -9.1672 -3.9808 -3.9808 -3.7324 -3.7324 -2.3974 -2.3974 -0.9538 -0.9538 -0.2755 -0.2755 -0.1407 -0.1407 0.7056 0.7056 1.0457 1.0457 1.2253 1.2253 1.9959 1.9959 2.6649 2.6649 3.1768 3.1768 3.2816 3.2816 3.3935 3.3935 3.5203 3.5203 4.1316 4.1316 4.6846 4.6846 5.3235 5.3235 10.9574 10.9574 11.7575 11.7575 12.3611 12.3611 12.6694 12.6694 12.6790 12.6790 k = 0.0000 0.0000 0.1951 ( 4384 PWs) bands (ev): -13.7065 -13.7065 -13.2158 -13.2158 -10.8661 -10.8661 -9.3524 -9.3524 -9.2161 -9.2161 -9.1713 -9.1713 -3.9583 -3.9583 -3.6950 -3.6950 -2.4782 -2.4782 -0.9546 -0.9546 -0.2632 -0.2632 -0.1519 -0.1519 0.6466 0.6466 1.0729 1.0729 1.1726 1.1726 2.0324 2.0324 2.6661 2.6661 3.1911 3.1911 3.3224 3.3224 3.3854 3.3854 3.5223 3.5223 4.1411 4.1411 4.6657 4.6657 5.3259 5.3259 10.8915 10.8915 11.7508 11.7508 12.3302 12.3302 12.6896 12.6896 12.8148 12.8148 k = 0.0000 0.0000 0.1789 ( 4384 PWs) bands (ev): -13.7149 -13.7149 -13.2099 -13.2099 -10.8798 -10.8798 -9.3151 -9.3151 -9.2213 -9.2213 -9.1752 -9.1752 -3.9365 -3.9365 -3.6585 -3.6585 -2.5538 -2.5538 -0.9542 -0.9542 -0.2522 -0.2522 -0.1624 -0.1624 0.5902 0.5902 1.0989 1.0989 1.1210 1.1210 2.0646 2.0646 2.6665 2.6665 3.1916 3.1916 3.3702 3.3702 3.3842 3.3842 3.5244 3.5244 4.1502 4.1502 4.6480 4.6480 5.3282 5.3282 10.8286 10.8286 11.7438 11.7438 12.2847 12.2847 12.7121 12.7121 12.8919 12.8919 k = 0.0000 0.0000 0.1626 ( 4384 PWs) bands (ev): -13.7227 -13.7227 -13.2045 -13.2045 -10.8923 -10.8923 -9.2801 -9.2801 -9.2261 -9.2261 -9.1790 -9.1790 -3.9157 -3.9157 -3.6233 -3.6233 -2.6241 -2.6241 -0.9529 -0.9529 -0.2426 -0.2426 -0.1721 -0.1721 0.5370 0.5370 1.0708 1.0708 1.1238 1.1238 2.0928 2.0928 2.6661 2.6661 3.1874 3.1874 3.3699 3.3699 3.4349 3.4349 3.5267 3.5267 4.1588 4.1588 4.6316 4.6316 5.3305 5.3305 10.7691 10.7691 11.7367 11.7367 12.2350 12.2350 12.7371 12.7371 12.9363 12.9363 k = 0.0000 0.0000 0.1464 ( 4394 PWs) bands (ev): -13.7298 -13.7298 -13.1997 -13.1997 -10.9035 -10.9035 -9.2476 -9.2476 -9.2305 -9.2305 -9.1825 -9.1825 -3.8961 -3.8961 -3.5898 -3.5898 -2.6887 -2.6887 -0.9507 -0.9507 -0.2344 -0.2344 -0.1810 -0.1810 0.4873 0.4873 1.0232 1.0232 1.1470 1.1470 2.1175 2.1175 2.6651 2.6651 3.1817 3.1817 3.3647 3.3647 3.4895 3.4895 3.5296 3.5296 4.1668 4.1668 4.6165 4.6165 5.3327 5.3327 10.7136 10.7136 11.7297 11.7297 12.1859 12.1859 12.7640 12.7640 12.9777 12.9777 k = 0.0000 0.0000 0.1301 ( 4388 PWs) bands (ev): -13.7362 -13.7362 -13.1953 -13.1953 -10.9136 -10.9136 -9.2349 -9.2349 -9.2173 -9.2173 -9.1856 -9.1856 -3.8780 -3.8780 -3.5584 -3.5584 -2.7473 -2.7473 -0.9478 -0.9478 -0.2275 -0.2275 -0.1890 -0.1890 0.4418 0.4418 0.9784 0.9784 1.1686 1.1686 2.1390 2.1390 2.6635 2.6635 3.1757 3.1757 3.3601 3.3601 3.5266 3.5266 3.5473 3.5473 4.1742 4.1742 4.6028 4.6028 5.3350 5.3350 10.6624 10.6624 11.7229 11.7229 12.1396 12.1396 12.7923 12.7923 13.0158 13.0158 k = 0.0000 0.0000 0.1138 ( 4380 PWs) bands (ev): -13.7419 -13.7419 -13.1914 -13.1914 -10.9224 -10.9224 -9.2385 -9.2385 -9.1911 -9.1911 -9.1879 -9.1879 -3.8615 -3.8615 -3.5294 -3.5294 -2.7997 -2.7997 -0.9444 -0.9444 -0.2221 -0.2221 -0.1961 -0.1961 0.4008 0.4008 0.9371 0.9371 1.1883 1.1883 2.1576 2.1576 2.6616 2.6616 3.1699 3.1699 3.3561 3.3561 3.5311 3.5311 3.5934 3.5934 4.1809 4.1809 4.5905 4.5905 5.3372 5.3372 10.6159 10.6159 11.7166 11.7166 12.0974 12.0974 12.8215 12.8215 13.0499 13.0499 k = 0.0000 0.0000 0.0976 ( 4372 PWs) bands (ev): -13.7469 -13.7469 -13.1881 -13.1881 -10.9301 -10.9301 -9.2418 -9.2418 -9.1913 -9.1913 -9.1664 -9.1664 -3.8468 -3.8468 -3.5034 -3.5034 -2.8457 -2.8457 -0.9408 -0.9408 -0.2179 -0.2179 -0.2023 -0.2023 0.3648 0.3648 0.8999 0.8999 1.2058 1.2058 2.1734 2.1734 2.6595 2.6595 3.1645 3.1645 3.3528 3.3528 3.5333 3.5333 3.6365 3.6365 4.1869 4.1869 4.5798 4.5798 5.3394 5.3394 10.5747 10.5747 11.7107 11.7107 12.0599 12.0599 12.8507 12.8507 13.0796 13.0796 k = 0.0000 0.0000 0.0813 ( 4372 PWs) bands (ev): -13.7511 -13.7511 -13.1852 -13.1852 -10.9365 -10.9365 -9.2446 -9.2446 -9.1935 -9.1935 -9.1458 -9.1458 -3.8340 -3.8340 -3.4806 -3.4806 -2.8850 -2.8850 -0.9373 -0.9373 -0.2151 -0.2151 -0.2074 -0.2074 0.3340 0.3340 0.8673 0.8673 1.2210 1.2210 2.1866 2.1866 2.6573 2.6573 3.1597 3.1597 3.3500 3.3500 3.5352 3.5352 3.6742 3.6742 4.1920 4.1920 4.5707 4.5707 5.3414 5.3414 10.5390 10.5390 11.7056 11.7056 12.0276 12.0276 12.8790 12.8790 13.1048 13.1048 k = 0.0000 0.0000 0.0650 ( 4368 PWs) bands (ev): -13.7546 -13.7546 -13.1829 -13.1829 -10.9418 -10.9418 -9.2469 -9.2469 -9.1953 -9.1953 -9.1287 -9.1287 -3.8234 -3.8234 -3.4615 -3.4615 -2.9174 -2.9174 -0.9339 -0.9339 -0.2140 -0.2140 -0.2108 -0.2108 0.3086 0.3086 0.8399 0.8399 1.2337 1.2337 2.1973 2.1973 2.6552 2.6552 3.1556 3.1556 3.3479 3.3479 3.5368 3.5368 3.7057 3.7057 4.1963 4.1963 4.5632 4.5632 5.3431 5.3431 10.5093 10.5093 11.7013 11.7013 12.0008 12.0008 12.9053 12.9053 13.1252 13.1252 k = 0.0000 0.0000 0.0488 ( 4369 PWs) bands (ev): -13.7573 -13.7573 -13.1811 -13.1811 -10.9459 -10.9459 -9.2487 -9.2487 -9.1967 -9.1967 -9.1152 -9.1152 -3.8150 -3.8150 -3.4462 -3.4462 -2.9429 -2.9429 -0.9311 -0.9311 -0.2160 -0.2160 -0.2110 -0.2110 0.2889 0.2889 0.8180 0.8180 1.2438 1.2438 2.2055 2.2055 2.6534 2.6534 3.1524 3.1524 3.3462 3.3462 3.5380 3.5380 3.7306 3.7306 4.1997 4.1997 4.5573 4.5573 5.3446 5.3446 10.4859 10.4859 11.6978 11.6978 11.9798 11.9798 12.9282 12.9282 13.1408 13.1408 k = 0.0000 0.0000 0.0325 ( 4367 PWs) bands (ev): -13.7593 -13.7593 -13.1798 -13.1798 -10.9488 -10.9488 -9.2500 -9.2500 -9.1978 -9.1978 -9.1055 -9.1055 -3.8089 -3.8089 -3.4351 -3.4351 -2.9611 -2.9611 -0.9288 -0.9288 -0.2182 -0.2182 -0.2105 -0.2105 0.2747 0.2747 0.8022 0.8022 1.2511 1.2511 2.2114 2.2114 2.6520 2.6520 3.1500 3.1500 3.3451 3.3451 3.5390 3.5390 3.7487 3.7487 4.2021 4.2021 4.5530 4.5530 5.3458 5.3458 10.4689 10.4689 11.6953 11.6953 11.9647 11.9647 12.9461 12.9461 13.1519 13.1519 k = 0.0000 0.0000 0.0163 ( 4371 PWs) bands (ev): -13.7605 -13.7605 -13.1790 -13.1790 -10.9506 -10.9506 -9.2508 -9.2508 -9.1984 -9.1984 -9.0997 -9.0997 -3.8053 -3.8053 -3.4284 -3.4284 -2.9721 -2.9721 -0.9275 -0.9275 -0.2196 -0.2196 -0.2103 -0.2103 0.2663 0.2663 0.7925 0.7925 1.2556 1.2556 2.2149 2.2149 2.6511 2.6511 3.1486 3.1486 3.3444 3.3444 3.5395 3.5395 3.7595 3.7595 4.2036 4.2036 4.5505 4.5505 5.3465 5.3465 10.4587 10.4587 11.6937 11.6937 11.9555 11.9555 12.9576 12.9576 13.1585 13.1585 k = 0.0000 0.0000 0.0000 ( 4369 PWs) bands (ev): -13.7609 -13.7609 -13.1788 -13.1788 -10.9512 -10.9512 -9.2511 -9.2511 -9.1986 -9.1986 -9.0977 -9.0977 -3.8040 -3.8040 -3.4261 -3.4261 -2.9758 -2.9758 -0.9270 -0.9270 -0.2201 -0.2201 -0.2102 -0.2102 0.2635 0.2635 0.7893 0.7893 1.2570 1.2570 2.2160 2.2160 2.6508 2.6508 3.1481 3.1481 3.3441 3.3441 3.5397 3.5397 3.7632 3.7632 4.2041 4.2041 4.5496 4.5496 5.3467 5.3467 10.4553 10.4553 11.6932 11.6932 11.9525 11.9525 12.9616 12.9616 13.1606 13.1606 k = 0.0000 0.0000 0.0000 ( 4369 PWs) bands (ev): -13.7609 -13.7609 -13.1788 -13.1788 -10.9512 -10.9512 -9.2511 -9.2511 -9.1986 -9.1986 -9.0977 -9.0977 -3.8040 -3.8040 -3.4261 -3.4261 -2.9758 -2.9758 -0.9270 -0.9270 -0.2201 -0.2201 -0.2102 -0.2102 0.2635 0.2635 0.7893 0.7893 1.2570 1.2570 2.2160 2.2160 2.6508 2.6508 3.1481 3.1481 3.3441 3.3441 3.5397 3.5397 3.7632 3.7632 4.2041 4.2041 4.5496 4.5496 5.3467 5.3467 10.4553 10.4553 11.6932 11.6932 11.9525 11.9525 12.9616 12.9616 13.1606 13.1606 k =-0.0139 0.0086 0.0000 ( 4365 PWs) bands (ev): -13.7603 -13.7603 -13.1788 -13.1788 -10.9527 -10.9526 -9.2509 -9.2508 -9.1990 -9.1987 -9.0976 -9.0971 -3.8018 -3.8016 -3.4280 -3.4278 -2.9730 -2.9728 -0.9278 -0.9275 -0.2188 -0.2187 -0.2117 -0.2116 0.2624 0.2624 0.7883 0.7884 1.2582 1.2583 2.2172 2.2173 2.6504 2.6504 3.1474 3.1477 3.3412 3.3412 3.5392 3.5393 3.7627 3.7629 4.2039 4.2042 4.5507 4.5509 5.3457 5.3458 10.4585 10.4585 11.6838 11.6844 11.9612 11.9617 12.9621 12.9621 13.1605 13.1606 k =-0.0278 0.0173 0.0000 ( 4369 PWs) bands (ev): -13.7587 -13.7587 -13.1789 -13.1788 -10.9571 -10.9570 -9.2505 -9.2503 -9.2000 -9.1993 -9.0970 -9.0960 -3.7949 -3.7944 -3.4334 -3.4330 -2.9647 -2.9644 -0.9301 -0.9295 -0.2173 -0.2166 -0.2137 -0.2135 0.2591 0.2592 0.7853 0.7855 1.2619 1.2620 2.2208 2.2209 2.6490 2.6491 3.1455 3.1460 3.3325 3.3325 3.5378 3.5379 3.7614 3.7618 4.2039 4.2044 4.5542 4.5545 5.3429 5.3429 10.4679 10.4680 11.6594 11.6605 11.9846 11.9855 12.9636 12.9636 13.1604 13.1605 k =-0.0417 0.0259 0.0000 ( 4369 PWs) bands (ev): -13.7560 -13.7559 -13.1790 -13.1789 -10.9643 -10.9643 -9.2497 -9.2494 -9.2014 -9.2004 -9.0957 -9.0943 -3.7833 -3.7827 -3.4418 -3.4412 -2.9514 -2.9508 -0.9338 -0.9329 -0.2242 -0.2234 -0.2070 -0.2070 0.2538 0.2539 0.7804 0.7808 1.2680 1.2681 2.2268 2.2270 2.6467 2.6469 3.1423 3.1431 3.3181 3.3183 3.5355 3.5357 3.7594 3.7599 4.2039 4.2046 4.5598 4.5602 5.3381 5.3381 10.4837 10.4837 11.6262 11.6277 12.0165 12.0178 12.9661 12.9662 13.1600 13.1603 k =-0.0556 0.0345 0.0000 ( 4369 PWs) bands (ev): -13.7522 -13.7521 -13.1791 -13.1790 -10.9744 -10.9744 -9.2486 -9.2483 -9.2031 -9.2019 -9.0940 -9.0921 -3.7671 -3.7663 -3.4526 -3.4518 -2.9335 -2.9327 -0.9388 -0.9375 -0.2345 -0.2335 -0.1972 -0.1972 0.2463 0.2465 0.7736 0.7741 1.2765 1.2766 2.2351 2.2353 2.6436 2.6438 3.1376 3.1387 3.2986 3.2989 3.5323 3.5325 3.7565 3.7572 4.2041 4.2050 4.5675 4.5679 5.3314 5.3315 10.5055 10.5056 11.5885 11.5906 12.0524 12.0541 12.9696 12.9697 13.1595 13.1598 k =-0.0694 0.0432 0.0000 ( 4367 PWs) bands (ev): -13.7473 -13.7473 -13.1793 -13.1792 -10.9873 -10.9873 -9.2473 -9.2468 -9.2051 -9.2037 -9.0918 -9.0896 -3.7464 -3.7453 -3.4653 -3.4643 -2.9118 -2.9107 -0.9450 -0.9435 -0.2475 -0.2463 -0.1847 -0.1846 0.2368 0.2370 0.7648 0.7655 1.2873 1.2875 2.2456 2.2459 2.6397 2.6400 3.1308 3.1324 3.2745 3.2750 3.5283 3.5284 3.7529 3.7536 4.2047 4.2058 4.5768 4.5773 5.3230 5.3231 10.5332 10.5333 11.5494 11.5519 12.0894 12.0916 12.9741 12.9743 13.1585 13.1590 k =-0.0833 0.0518 0.0000 ( 4365 PWs) bands (ev): -13.7414 -13.7413 -13.1796 -13.1794 -11.0027 -11.0027 -9.2457 -9.2452 -9.2073 -9.2057 -9.0894 -9.0868 -3.7213 -3.7199 -3.4791 -3.4780 -2.8868 -2.8856 -0.9524 -0.9506 -0.2633 -0.2617 -0.1695 -0.1694 0.2254 0.2256 0.7543 0.7550 1.3005 1.3006 2.2583 2.2586 2.6349 2.6353 3.1212 3.1232 3.2469 3.2478 3.5233 3.5235 3.7484 3.7493 4.2058 4.2069 4.5876 4.5881 5.3129 5.3130 10.5667 10.5667 11.5105 11.5134 12.1260 12.1284 12.9797 12.9799 13.1571 13.1576 k =-0.0972 0.0604 0.0000 ( 4369 PWs) bands (ev): -13.7345 -13.7344 -13.1798 -13.1796 -11.0207 -11.0207 -9.2439 -9.2433 -9.2095 -9.2078 -9.0867 -9.0839 -3.6917 -3.6902 -3.4937 -3.4924 -2.8592 -2.8577 -0.9609 -0.9588 -0.2815 -0.2796 -0.1519 -0.1518 0.2121 0.2123 0.7419 0.7427 1.3159 1.3160 2.2729 2.2733 2.6295 2.6299 3.1071 3.1097 3.2178 3.2191 3.5175 3.5177 3.7431 3.7441 4.2074 4.2086 4.5995 4.6000 5.3012 5.3013 10.6054 10.6056 11.4727 11.4760 12.1609 12.1637 12.9862 12.9866 13.1549 13.1555 k =-0.1111 0.0691 0.0000 ( 4369 PWs) bands (ev): -13.7265 -13.7264 -13.1801 -13.1799 -11.0410 -11.0410 -9.2419 -9.2412 -9.2117 -9.2099 -9.0840 -9.0809 -3.6579 -3.6562 -3.5086 -3.5071 -2.8295 -2.8277 -0.9703 -0.9679 -0.3020 -0.2999 -0.1319 -0.1318 0.1969 0.1971 0.7277 0.7287 1.3334 1.3336 2.2893 2.2897 2.6232 2.6237 3.0861 3.0892 3.1903 3.1920 3.5108 3.5111 3.7371 3.7381 4.2096 4.2108 4.6121 4.6125 5.2880 5.2881 10.6493 10.6494 11.4370 11.4407 12.1935 12.1965 12.9939 12.9943 13.1519 13.1526 k =-0.1250 0.0777 0.0000 ( 4383 PWs) bands (ev): -13.7176 -13.7175 -13.1804 -13.1802 -11.0635 -11.0635 -9.2398 -9.2391 -9.2139 -9.2120 -9.0812 -9.0779 -3.6200 -3.6181 -3.5233 -3.5218 -2.7979 -2.7960 -0.9807 -0.9780 -0.3246 -0.3222 -0.1097 -0.1096 0.1800 0.1802 0.7117 0.7128 1.3530 1.3532 2.3073 2.3078 2.6164 2.6169 3.0557 3.0590 3.1673 3.1690 3.5033 3.5036 3.7302 3.7313 4.2125 4.2137 4.6252 4.6255 5.2734 5.2735 10.6979 10.6981 11.4039 11.4079 12.2233 12.2265 13.0024 13.0030 13.1479 13.1486 k =-0.1389 0.0863 0.0000 ( 4381 PWs) bands (ev): -13.7078 -13.7077 -13.1808 -13.1805 -11.0880 -11.0879 -9.2377 -9.2368 -9.2158 -9.2139 -9.0785 -9.0751 -3.5781 -3.5760 -3.5377 -3.5361 -2.7650 -2.7628 -0.9918 -0.9888 -0.3492 -0.3465 -0.0853 -0.0852 0.1616 0.1617 0.6940 0.6952 1.3747 1.3748 2.3268 2.3274 2.6089 2.6095 3.0160 3.0191 3.1493 3.1508 3.4951 3.4953 3.7226 3.7237 4.2161 4.2172 4.6384 4.6387 5.2576 5.2577 10.7509 10.7511 11.3738 11.3781 12.2499 12.2533 13.0119 13.0126 13.1426 13.1434 k =-0.1528 0.0950 0.0000 ( 4377 PWs) bands (ev): -13.6970 -13.6969 -13.1811 -13.1808 -11.1143 -11.1143 -9.2355 -9.2345 -9.2176 -9.2157 -9.0760 -9.0724 -3.5516 -3.5498 -3.5324 -3.5300 -2.7309 -2.7285 -1.0037 -1.0004 -0.3755 -0.3725 -0.0590 -0.0588 0.1416 0.1417 0.6745 0.6758 1.3982 1.3983 2.3475 2.3482 2.6009 2.6016 2.9690 2.9719 3.1347 3.1357 3.4860 3.4863 3.7141 3.7153 4.2203 4.2214 4.6515 4.6517 5.2408 5.2409 10.8078 10.8080 11.3470 11.3516 12.2731 12.2766 13.0222 13.0230 13.1360 13.1368 k =-0.1667 0.1036 0.0000 ( 4376 PWs) bands (ev): -13.6854 -13.6853 -13.1815 -13.1812 -11.1422 -11.1422 -9.2333 -9.2322 -9.2191 -9.2172 -9.0736 -9.0699 -3.5647 -3.5629 -3.4831 -3.4805 -2.6960 -2.6933 -1.0162 -1.0126 -0.4033 -0.3999 -0.0308 -0.0306 0.1202 0.1203 0.6534 0.6547 1.4235 1.4236 2.3691 2.3699 2.5923 2.5931 2.9168 2.9194 3.1216 3.1223 3.4763 3.4765 3.7049 3.7062 4.2252 4.2262 4.6643 4.6644 5.2230 5.2232 10.8683 10.8686 11.3240 11.3288 12.2928 12.2963 13.0332 13.0340 13.1279 13.1287 k =-0.1806 0.1122 0.0000 ( 4376 PWs) bands (ev): -13.6730 -13.6729 -13.1820 -13.1816 -11.1716 -11.1716 -9.2312 -9.2299 -9.2202 -9.2185 -9.0716 -9.0677 -3.5770 -3.5751 -3.4303 -3.4275 -2.6605 -2.6575 -1.0292 -1.0254 -0.4324 -0.4286 -0.0008 -0.0007 0.0976 0.0976 0.6305 0.6319 1.4506 1.4506 2.3914 2.3923 2.5833 2.5842 2.8610 2.8635 3.1091 3.1095 3.4658 3.4660 3.6950 3.6963 4.2306 4.2315 4.6764 4.6765 5.2045 5.2047 10.9319 10.9323 11.3048 11.3098 12.3089 12.3124 13.0446 13.0455 13.1183 13.1190 k =-0.1944 0.1209 0.0000 ( 4372 PWs) bands (ev): -13.6598 -13.6597 -13.1824 -13.1820 -11.2021 -11.2021 -9.2293 -9.2277 -9.2208 -9.2194 -9.0698 -9.0658 -3.5883 -3.5863 -3.3742 -3.3712 -2.6245 -2.6213 -1.0428 -1.0387 -0.4624 -0.4583 0.0306 0.0308 0.0737 0.0739 0.6059 0.6074 1.4791 1.4792 2.4139 2.4149 2.5739 2.5749 2.8029 2.8053 3.0967 3.0967 3.4546 3.4548 3.6844 3.6857 4.2365 4.2373 4.6878 4.6880 5.1855 5.1857 10.9984 10.9987 11.2896 11.2949 12.3216 12.3249 13.0561 13.0569 13.1072 13.1078 k =-0.2083 0.1295 0.0000 ( 4376 PWs) bands (ev): -13.6460 -13.6458 -13.1828 -13.1825 -11.2337 -11.2337 -9.2276 -9.2256 -9.2210 -9.2199 -9.0683 -9.0642 -3.5986 -3.5966 -3.3151 -3.3119 -2.5884 -2.5849 -1.0568 -1.0524 -0.4932 -0.4887 0.0486 0.0486 0.0638 0.0639 0.5797 0.5813 1.5092 1.5093 2.4359 2.4371 2.5642 2.5653 2.7438 2.7462 3.0838 3.0840 3.4427 3.4430 3.6731 3.6745 4.2428 4.2434 4.6982 4.6985 5.1662 5.1663 11.0671 11.0675 11.2786 11.2840 12.3308 12.3340 13.0670 13.0675 13.0952 13.0954 k =-0.2222 0.1381 0.0000 ( 4382 PWs) bands (ev): -13.6315 -13.6313 -13.1833 -13.1829 -11.2661 -11.2661 -9.2263 -9.2236 -9.2205 -9.2200 -9.0672 -9.0631 -3.6079 -3.6059 -3.2531 -3.2498 -2.5521 -2.5484 -1.0713 -1.0666 -0.5245 -0.5197 0.0230 0.0232 0.0977 0.0978 0.5519 0.5535 1.5405 1.5407 2.4562 2.4577 2.5541 2.5553 2.6853 2.6878 3.0706 3.0711 3.4303 3.4306 3.6613 3.6627 4.2494 4.2499 4.7077 4.7081 5.1466 5.1468 11.1378 11.1382 11.2718 11.2773 12.3368 12.3399 13.0710 13.0724 13.0867 13.0884 k =-0.2361 0.1468 0.0000 ( 4386 PWs) bands (ev): -13.6165 -13.6163 -13.1838 -13.1834 -11.2991 -11.2991 -9.2252 -9.2219 -9.2195 -9.2194 -9.0665 -9.0623 -3.6162 -3.6142 -3.1886 -3.1850 -2.5160 -2.5121 -1.0861 -1.0812 -0.5560 -0.5508 -0.0035 -0.0032 0.1326 0.1327 0.5225 0.5243 1.5731 1.5733 2.4718 2.4737 2.5437 2.5450 2.6307 2.6333 3.0571 3.0578 3.4172 3.4175 3.6488 3.6503 4.2562 4.2566 4.7161 4.7166 5.1271 5.1273 11.2099 11.2104 11.2692 11.2748 12.3397 12.3427 13.0588 13.0604 13.0932 13.0951 k =-0.2500 0.1554 0.0000 ( 4390 PWs) bands (ev): -13.6010 -13.6009 -13.1842 -13.1838 -11.3324 -11.3324 -9.2242 -9.2206 -9.2184 -9.2181 -9.0662 -9.0620 -3.6234 -3.6214 -3.1217 -3.1180 -2.4803 -2.4761 -1.1013 -1.0962 -0.5874 -0.5819 -0.0306 -0.0302 0.1683 0.1683 0.4919 0.4936 1.6067 1.6070 2.4738 2.4759 2.5331 2.5346 2.5895 2.5920 3.0435 3.0445 3.4036 3.4040 3.6359 3.6374 4.2631 4.2634 4.7234 4.7240 5.1077 5.1079 11.2707 11.2763 11.2831 11.2837 12.3399 12.3426 13.0416 13.0430 13.1028 13.1045 k =-0.2639 0.1640 0.0000 ( 4388 PWs) bands (ev): -13.5852 -13.5850 -13.1847 -13.1843 -11.3659 -11.3658 -9.2231 -9.2194 -9.2170 -9.2166 -9.0663 -9.0621 -3.6296 -3.6276 -3.0528 -3.0489 -2.4450 -2.4406 -1.1170 -1.1115 -0.6185 -0.6127 -0.0582 -0.0576 0.2040 0.2041 0.4602 0.4620 1.6413 1.6417 2.4483 2.4495 2.5223 2.5238 2.5764 2.5779 3.0301 3.0313 3.3895 3.3899 3.6226 3.6241 4.2701 4.2702 4.7296 4.7303 5.0887 5.0889 11.2763 11.2820 11.3569 11.3575 12.3373 12.3399 13.0225 13.0239 13.1119 13.1134 k =-0.2778 0.1727 0.0000 ( 4408 PWs) bands (ev): -13.5691 -13.5689 -13.1851 -13.1848 -11.3992 -11.3992 -9.2217 -9.2181 -9.2154 -9.2150 -9.0669 -9.0626 -3.6348 -3.6329 -2.9821 -2.9780 -2.4104 -2.4058 -1.1330 -1.1273 -0.6491 -0.6430 -0.0860 -0.0853 0.2389 0.2390 0.4283 0.4302 1.6766 1.6771 2.4016 2.4020 2.5112 2.5129 2.5841 2.5846 3.0172 3.0186 3.3750 3.3754 3.6090 3.6105 4.2769 4.2770 4.7346 4.7354 5.0702 5.0704 11.2859 11.2915 11.4308 11.4315 12.3323 12.3347 13.0022 13.0036 13.1200 13.1214 k =-0.2917 0.1813 0.0000 ( 4396 PWs) bands (ev): -13.5528 -13.5527 -13.1856 -13.1852 -11.4323 -11.4322 -9.2201 -9.2164 -9.2139 -9.2135 -9.0678 -9.0635 -3.6391 -3.6372 -2.9099 -2.9056 -2.3766 -2.3719 -1.1494 -1.1435 -0.6788 -0.6724 -0.1139 -0.1131 0.2703 0.2706 0.3988 0.4007 1.7125 1.7131 2.3481 2.3481 2.5000 2.5017 2.5979 2.5980 3.0052 3.0069 3.3602 3.3606 3.5951 3.5966 4.2836 4.2837 4.7386 4.7395 5.0523 5.0525 11.2991 11.3047 11.5045 11.5053 12.3249 12.3271 12.9811 12.9824 13.1270 13.1281 k =-0.3056 0.1899 0.0000 ( 4396 PWs) bands (ev): -13.5366 -13.5364 -13.1860 -13.1857 -11.4647 -11.4647 -9.2182 -9.2145 -9.2125 -9.2120 -9.0691 -9.0649 -3.6425 -3.6406 -2.8366 -2.8321 -2.3439 -2.3390 -1.1663 -1.1601 -0.7074 -0.7008 -0.1418 -0.1408 0.2893 0.2900 0.3806 0.3820 1.7488 1.7495 2.2934 2.2936 2.4885 2.4903 2.6116 2.6121 2.9948 2.9967 3.3450 3.3455 3.5811 3.5826 4.2901 4.2902 4.7416 4.7425 5.0352 5.0354 11.3159 11.3215 11.5775 11.5783 12.3154 12.3174 12.9594 12.9607 13.1327 13.1337 k =-0.3194 0.1986 0.0000 ( 4392 PWs) bands (ev): -13.5204 -13.5202 -13.1865 -13.1861 -11.4964 -11.4964 -9.2161 -9.2126 -9.2109 -9.2105 -9.0708 -9.0666 -3.6451 -3.6433 -2.7626 -2.7579 -2.3123 -2.3074 -1.1838 -1.1773 -0.7347 -0.7280 -0.1693 -0.1683 0.2801 0.2816 0.3893 0.3900 1.7854 1.7862 2.2400 2.2402 2.4767 2.4787 2.6234 2.6242 2.9865 2.9886 3.3297 3.3302 3.5669 3.5685 4.2962 4.2964 4.7437 4.7447 5.0189 5.0191 11.3360 11.3414 11.6493 11.6501 12.3039 12.3056 12.9377 12.9389 13.1372 13.1380 k =-0.3333 0.2072 0.0000 ( 4392 PWs) bands (ev): -13.5045 -13.5043 -13.1869 -13.1866 -11.5271 -11.5270 -9.2140 -9.2110 -9.2089 -9.2087 -9.0729 -9.0687 -3.6470 -3.6453 -2.6882 -2.6833 -2.2822 -2.2773 -1.2018 -1.1951 -0.7604 -0.7536 -0.1964 -0.1952 0.2509 0.2527 0.4168 0.4172 1.8220 1.8230 2.1887 2.1890 2.4648 2.4669 2.6322 2.6332 2.9810 2.9833 3.3144 3.3149 3.5528 3.5544 4.3021 4.3023 4.7450 4.7460 5.0036 5.0038 11.3589 11.3642 11.7193 11.7201 12.2904 12.2919 12.9161 12.9173 13.1406 13.1411 k =-0.3472 0.2158 0.0000 ( 4396 PWs) bands (ev): -13.4890 -13.4888 -13.1873 -13.1870 -11.5565 -11.5564 -9.2121 -9.2099 -9.2069 -9.2060 -9.0752 -9.0712 -3.6482 -3.6466 -2.6138 -2.6089 -2.2537 -2.2487 -1.2204 -1.2136 -0.7844 -0.7776 -0.2227 -0.2215 0.2152 0.2171 0.4497 0.4499 1.8585 1.8596 2.1402 2.1405 2.4525 2.4547 2.6373 2.6384 2.9787 2.9811 3.2992 3.2998 3.5388 3.5403 4.3076 4.3079 4.7456 4.7466 4.9894 4.9895 11.3845 11.3895 11.7871 11.7880 12.2751 12.2764 12.8952 12.8964 13.1429 13.1433 k =-0.3611 0.2245 0.0000 ( 4396 PWs) bands (ev): -13.4740 -13.4738 -13.1876 -13.1873 -11.5844 -11.5843 -9.2105 -9.2089 -9.2045 -9.2029 -9.0779 -9.0739 -3.6489 -3.6474 -2.5401 -2.5351 -2.2269 -2.2220 -1.2398 -1.2328 -0.8064 -0.7997 -0.2482 -0.2469 0.1775 0.1795 0.4834 0.4836 1.8946 1.8958 2.0949 2.0952 2.4400 2.4423 2.6386 2.6397 2.9798 2.9822 3.2843 3.2848 3.5251 3.5265 4.3127 4.3130 4.7456 4.7466 4.9762 4.9764 11.4121 11.4170 11.8521 11.8530 12.2581 12.2592 12.8753 12.8764 13.1444 13.1446 k =-0.3750 0.2331 0.0000 ( 4392 PWs) bands (ev): -13.4597 -13.4596 -13.1880 -13.1877 -11.6106 -11.6105 -9.2093 -9.2081 -9.2015 -9.1996 -9.0807 -9.0769 -3.6491 -3.6478 -2.4676 -2.4625 -2.2020 -2.1974 -1.2599 -1.2528 -0.8264 -0.8198 -0.2724 -0.2710 0.1395 0.1415 0.5166 0.5167 1.9301 1.9314 2.0532 2.0534 2.4271 2.4294 2.6362 2.6372 2.9841 2.9865 3.2698 3.2703 3.5116 3.5131 4.3173 4.3177 4.7452 4.7461 4.9642 4.9643 11.4414 11.4461 11.9138 11.9146 12.2397 12.2406 12.8568 12.8579 13.1452 13.1453 k =-0.3889 0.2417 0.0000 ( 4392 PWs) bands (ev): -13.4463 -13.4462 -13.1883 -13.1880 -11.6348 -11.6347 -9.2083 -9.2075 -9.1983 -9.1962 -9.0837 -9.0801 -3.6490 -3.6478 -2.3970 -2.3918 -2.1793 -2.1749 -1.2807 -1.2736 -0.8442 -0.8378 -0.2951 -0.2938 0.1024 0.1043 0.5482 0.5484 1.9647 1.9661 2.0152 2.0155 2.4139 2.4163 2.6308 2.6318 2.9910 2.9932 3.2559 3.2565 3.4987 3.5001 4.3215 4.3219 4.7444 4.7453 4.9534 4.9535 11.4719 11.4762 11.9714 11.9722 12.2200 12.2207 12.8400 12.8410 13.1454 13.1455 k =-0.4028 0.2504 0.0000 ( 4386 PWs) bands (ev): -13.4340 -13.4339 -13.1885 -13.1883 -11.6568 -11.6568 -9.2076 -9.2069 -9.1949 -9.1928 -9.0868 -9.0834 -3.6486 -3.6475 -2.3291 -2.3239 -2.1588 -2.1547 -1.3021 -1.2951 -0.8597 -0.8537 -0.3161 -0.3148 0.0669 0.0688 0.5778 0.5779 1.9813 1.9815 1.9981 1.9996 2.4003 2.4027 2.6233 2.6242 2.9996 3.0017 3.2430 3.2435 3.4865 3.4878 4.3253 4.3256 4.7434 4.7442 4.9438 4.9439 11.5028 11.5068 12.0243 12.0251 12.1995 12.1999 12.8252 12.8261 13.1453 13.1454 k =-0.4167 0.2590 0.0000 ( 4386 PWs) bands (ev): -13.4229 -13.4228 -13.1888 -13.1886 -11.6764 -11.6764 -9.2070 -9.2065 -9.1915 -9.1895 -9.0899 -9.0867 -3.6480 -3.6471 -2.2648 -2.2598 -2.1407 -2.1370 -1.3238 -1.3171 -0.8729 -0.8675 -0.3350 -0.3338 0.0340 0.0358 0.6047 0.6048 1.9515 1.9516 2.0300 2.0315 2.3864 2.3888 2.6146 2.6154 3.0093 3.0112 3.2311 3.2316 3.4751 3.4763 4.3285 4.3288 4.7424 4.7430 4.9355 4.9356 11.5334 11.5371 12.0718 12.0726 12.1785 12.1787 12.8126 12.8134 13.1449 13.1451 k =-0.4306 0.2676 0.0000 ( 4386 PWs) bands (ev): -13.4132 -13.4131 -13.1890 -13.1888 -11.6934 -11.6933 -9.2065 -9.2061 -9.1882 -9.1863 -9.0928 -9.0899 -3.6474 -3.6466 -2.2055 -2.2007 -2.1252 -2.1219 -1.3453 -1.3391 -0.8838 -0.8790 -0.3517 -0.3505 0.0045 0.0060 0.6286 0.6286 1.9260 1.9261 2.0598 2.0614 2.3724 2.3748 2.6057 2.6063 3.0191 3.0208 3.2206 3.2210 3.4648 3.4659 4.3313 4.3315 4.7413 4.7418 4.9284 4.9285 11.5629 11.5661 12.1132 12.1140 12.1577 12.1578 12.8023 12.8031 13.1444 13.1446 k =-0.4444 0.2763 0.0000 ( 4382 PWs) bands (ev): -13.4050 -13.4050 -13.1892 -13.1890 -11.7076 -11.7075 -9.2061 -9.2058 -9.1851 -9.1834 -9.0954 -9.0930 -3.6467 -3.6461 -2.1525 -2.1482 -2.1122 -2.1095 -1.3659 -1.3603 -0.8925 -0.8885 -0.3657 -0.3647 -0.0209 -0.0196 0.6488 0.6489 1.9049 1.9050 2.0871 2.0887 2.3587 2.3608 2.5972 2.5978 3.0284 3.0297 3.2116 3.2120 3.4559 3.4568 4.3335 4.3337 4.7402 4.7407 4.9226 4.9227 11.5901 11.5928 12.1377 12.1379 12.1484 12.1488 12.7944 12.7950 13.1440 13.1441 k =-0.4583 0.2849 0.0000 ( 4382 PWs) bands (ev): -13.3985 -13.3985 -13.1893 -13.1892 -11.7188 -11.7187 -9.2058 -9.2056 -9.1824 -9.1810 -9.0976 -9.0957 -3.6461 -3.6456 -2.1077 -2.1041 -2.1020 -2.0999 -1.3843 -1.3797 -0.8990 -0.8959 -0.3769 -0.3761 -0.0415 -0.0405 0.6650 0.6651 1.8884 1.8885 2.1110 2.1125 2.3457 2.3477 2.5900 2.5904 3.0364 3.0374 3.2044 3.2047 3.4486 3.4493 4.3353 4.3355 4.7394 4.7398 4.9181 4.9182 11.6138 11.6159 12.1203 12.1204 12.1759 12.1763 12.7886 12.7891 13.1435 13.1437 k =-0.4722 0.2935 0.0000 ( 4388 PWs) bands (ev): -13.3938 -13.3937 -13.1894 -13.1893 -11.7269 -11.7268 -9.2056 -9.2055 -9.1803 -9.1793 -9.0992 -9.0978 -3.6456 -3.6453 -2.0945 -2.0931 -2.0732 -2.0705 -1.3991 -1.3957 -0.9034 -0.9013 -0.3850 -0.3845 -0.0566 -0.0559 0.6769 0.6769 1.8766 1.8767 2.1303 2.1314 2.3347 2.3362 2.5844 2.5847 3.0426 3.0433 3.1991 3.1993 3.4432 3.4437 4.3365 4.3367 4.7388 4.7390 4.9149 4.9150 11.6324 11.6339 12.1062 12.1063 12.1959 12.1962 12.7849 12.7852 13.1432 13.1434 k =-0.4861 0.3022 0.0000 ( 4398 PWs) bands (ev): -13.3909 -13.3909 -13.1894 -13.1894 -11.7318 -11.7317 -9.2055 -9.2054 -9.1788 -9.1782 -9.1001 -9.0994 -3.6453 -3.6451 -2.0899 -2.0892 -2.0510 -2.0496 -1.4085 -1.4067 -0.9058 -0.9047 -0.3899 -0.3896 -0.0658 -0.0654 0.6842 0.6842 1.8695 1.8695 2.1432 2.1438 2.3272 2.3280 2.5810 2.5811 3.0466 3.0469 3.1959 3.1960 3.4399 3.4401 4.3373 4.3374 4.7384 4.7385 4.9130 4.9130 11.6445 11.6453 12.0970 12.0971 12.2081 12.2082 12.7828 12.7829 13.1431 13.1431 k =-0.5000 0.3108 0.0000 ( 4386 PWs) bands (ev): -13.3899 -13.3899 -13.1894 -13.1894 -11.7334 -11.7334 -9.2054 -9.2054 -9.1781 -9.1781 -9.1001 -9.1001 -3.6451 -3.6451 -2.0881 -2.0881 -2.0429 -2.0429 -1.4112 -1.4112 -0.9062 -0.9062 -0.3914 -0.3914 -0.0688 -0.0688 0.6866 0.6866 1.8671 1.8671 2.1480 2.1480 2.3247 2.3247 2.5799 2.5799 3.0481 3.0481 3.1948 3.1948 3.4389 3.4389 4.3376 4.3376 4.7383 4.7383 4.9124 4.9124 11.6490 11.6490 12.0939 12.0939 12.2122 12.2122 12.7822 12.7822 13.1430 13.1430 k =-0.5000 0.3108 0.0000 ( 4386 PWs) bands (ev): -13.3899 -13.3899 -13.1894 -13.1894 -11.7334 -11.7334 -9.2054 -9.2054 -9.1781 -9.1781 -9.1001 -9.1001 -3.6451 -3.6451 -2.0881 -2.0881 -2.0429 -2.0429 -1.4112 -1.4112 -0.9062 -0.9062 -0.3914 -0.3914 -0.0688 -0.0688 0.6866 0.6866 1.8671 1.8671 2.1480 2.1480 2.3247 2.3247 2.5799 2.5799 3.0481 3.0481 3.1948 3.1948 3.4389 3.4389 4.3376 4.3376 4.7383 4.7383 4.9124 4.9124 11.6490 11.6490 12.0939 12.0939 12.2122 12.2122 12.7822 12.7822 13.1430 13.1430 k =-0.4915 0.3245-0.0000 ( 4394 PWs) bands (ev): -13.3901 -13.3901 -13.1895 -13.1895 -11.7325 -11.7325 -9.2209 -9.2178 -9.1777 -9.1773 -9.0895 -9.0860 -3.6448 -3.6447 -2.1059 -2.1054 -2.0213 -2.0210 -1.4120 -1.4120 -0.9076 -0.9073 -0.4079 -0.4033 -0.0577 -0.0530 0.6863 0.6866 1.8670 1.8671 2.1462 2.1468 2.3246 2.3263 2.5794 2.5814 3.0463 3.0469 3.1956 3.1956 3.4387 3.4387 4.3384 4.3389 4.7342 4.7351 4.9119 4.9128 11.6507 11.6509 12.0948 12.0949 12.2157 12.2161 12.7732 12.7793 13.1491 13.1547 k =-0.4830 0.3382-0.0000 ( 4392 PWs) bands (ev): -13.3906 -13.3906 -13.1896 -13.1896 -11.7296 -11.7296 -9.2526 -9.2485 -9.1762 -9.1755 -9.0634 -9.0585 -3.6437 -3.6436 -2.1322 -2.1313 -1.9826 -1.9819 -1.4144 -1.4144 -0.9114 -0.9109 -0.4464 -0.4389 -0.0245 -0.0165 0.6857 0.6864 1.8668 1.8671 2.1414 2.1426 2.3260 2.3294 2.5800 2.5839 3.0416 3.0429 3.1979 3.1979 3.4383 3.4383 4.3415 4.3425 4.7232 4.7249 4.9113 4.9131 11.6560 11.6564 12.0977 12.0978 12.2267 12.2273 12.7549 12.7658 13.1721 13.1821 k =-0.4744 0.3519-0.0000 ( 4400 PWs) bands (ev): -13.3915 -13.3915 -13.1898 -13.1898 -11.7250 -11.7249 -9.2909 -9.2866 -9.1735 -9.1726 -9.0331 -9.0275 -3.6420 -3.6418 -2.1560 -2.1547 -1.9379 -1.9368 -1.4184 -1.4183 -0.9177 -0.9169 -0.4980 -0.4889 0.0217 0.0314 0.6848 0.6858 1.8666 1.8670 2.1336 2.1353 2.3287 2.3338 2.5817 2.5875 3.0340 3.0359 3.2017 3.2017 3.4376 3.4376 4.3467 4.3482 4.7060 4.7083 4.9102 4.9126 11.6648 11.6654 12.1025 12.1025 12.2447 12.2456 12.7309 12.7453 13.2083 13.2212 k =-0.4659 0.3656-0.0000 ( 4394 PWs) bands (ev): -13.3927 -13.3927 -13.1901 -13.1901 -11.7184 -11.7184 -9.3322 -9.3280 -9.1698 -9.1686 -9.0024 -8.9963 -3.6396 -3.6393 -2.1758 -2.1741 -1.8888 -1.8873 -1.4239 -1.4239 -0.9264 -0.9253 -0.5566 -0.5468 0.0743 0.0849 0.6835 0.6849 1.8665 1.8670 2.1227 2.1251 2.3327 2.3393 2.5848 2.5924 3.0236 3.0262 3.2071 3.2071 3.4366 3.4367 4.3541 4.3560 4.6833 4.6861 4.9078 4.9107 11.6770 11.6776 12.1091 12.1092 12.2696 12.2705 12.7050 12.7216 13.2542 13.2689 k =-0.4574 0.3793-0.0000 ( 4396 PWs) bands (ev): -13.3943 -13.3942 -13.1905 -13.1905 -11.7100 -11.7100 -9.3755 -9.3714 -9.1650 -9.1635 -8.9726 -8.9662 -3.6365 -3.6362 -2.1912 -2.1891 -1.8358 -1.8339 -1.4310 -1.4310 -0.9373 -0.9359 -0.6192 -0.6090 0.1297 0.1409 0.6817 0.6834 1.8665 1.8672 2.1088 2.1117 2.3377 2.3456 2.5893 2.5985 3.0105 3.0137 3.2140 3.2140 3.4354 3.4355 4.3635 4.3659 4.6559 4.6590 4.9039 4.9072 11.6923 11.6928 12.1176 12.1177 12.3005 12.3013 12.6799 12.6981 13.3070 13.3226 k =-0.4489 0.3931-0.0000 ( 4396 PWs) bands (ev): -13.3962 -13.3961 -13.1909 -13.1909 -11.6997 -11.6997 -9.4201 -9.4161 -9.1591 -9.1573 -8.9443 -8.9376 -3.6329 -3.6325 -2.2021 -2.1997 -1.7790 -1.7768 -1.4397 -1.4396 -0.9504 -0.9488 -0.6842 -0.6738 0.1863 0.1978 0.6793 0.6814 1.8670 1.8677 2.0917 2.0952 2.3433 2.3524 2.5955 2.6061 2.9949 2.9987 3.2224 3.2224 3.4340 3.4341 4.3750 4.3778 4.6246 4.6279 4.8980 4.9015 11.7104 11.7107 12.1278 12.1280 12.3362 12.3367 12.6582 12.6775 13.3648 13.3809 k =-0.4403 0.4068-0.0000 ( 4398 PWs) bands (ev): -13.3985 -13.3984 -13.1914 -13.1914 -11.6876 -11.6875 -9.4657 -9.4619 -9.1522 -9.1501 -8.9178 -8.9109 -3.6287 -3.6282 -2.2084 -2.2056 -1.7188 -1.7162 -1.4498 -1.4498 -0.9657 -0.9637 -0.7505 -0.7401 0.2429 0.2547 0.6762 0.6786 1.8679 1.8687 2.0715 2.0756 2.3494 2.3593 2.6036 2.6154 2.9767 2.9812 3.2323 3.2324 3.4324 3.4325 4.3884 4.3917 4.5899 4.5933 4.8901 4.8937 11.7310 11.7310 12.1398 12.1400 12.3744 12.3745 12.6429 12.6631 13.4261 13.4418 k =-0.4318 0.4205-0.0000 ( 4398 PWs) bands (ev): -13.4012 -13.4011 -13.1920 -13.1919 -11.6736 -11.6735 -9.5120 -9.5084 -9.1442 -9.1418 -8.8932 -8.8861 -3.6240 -3.6235 -2.2101 -2.2069 -1.6554 -1.6523 -1.4613 -1.4613 -0.9828 -0.9805 -0.8176 -0.8072 0.2990 0.3110 0.6722 0.6749 1.8695 1.8703 2.0481 2.0527 2.3556 2.3660 2.6138 2.6263 2.9564 2.9615 3.2438 3.2439 3.4306 3.4308 4.4037 4.4074 4.5524 4.5559 4.8800 4.8837 11.7531 11.7535 12.1534 12.1536 12.4107 12.4112 12.6386 12.6592 13.4124 13.4129 k =-0.4233 0.4342-0.0000 ( 4390 PWs) bands (ev): -13.4042 -13.4042 -13.1925 -13.1925 -11.6577 -11.6577 -9.5589 -9.5555 -9.1352 -9.1326 -8.8708 -8.8634 -3.6189 -3.6184 -2.2072 -2.2037 -1.5888 -1.5854 -1.4743 -1.4742 -1.0017 -0.9991 -0.8851 -0.8747 0.3542 0.3663 0.6673 0.6703 1.8719 1.8727 2.0215 2.0266 2.3616 2.3722 2.6261 2.6390 2.9339 2.9396 3.2567 3.2569 3.4288 3.4290 4.4209 4.4249 4.5126 4.5161 4.8678 4.8715 11.7765 11.7776 12.1686 12.1688 12.4402 12.4406 12.6513 12.6715 13.3732 13.3737 k =-0.4148 0.4479-0.0000 ( 4388 PWs) bands (ev): -13.4077 -13.4076 -13.1931 -13.1931 -11.6400 -11.6400 -9.6062 -9.6030 -9.1253 -9.1223 -8.8505 -8.8430 -3.6135 -3.6129 -2.1998 -2.1960 -1.5196 -1.5156 -1.4885 -1.4882 -1.0223 -1.0193 -0.9526 -0.9424 0.4083 0.4204 0.6612 0.6644 1.8752 1.8760 1.9916 1.9972 2.3674 2.3778 2.6406 2.6536 2.9097 2.9160 3.2712 3.2715 3.4269 3.4272 4.4396 4.4441 4.4708 4.4744 4.8537 4.8574 11.8007 11.8027 12.1852 12.1855 12.4585 12.4591 12.6854 12.7038 13.3290 13.3295 k =-0.4062 0.4616-0.0000 ( 4384 PWs) bands (ev): -13.4116 -13.4115 -13.1936 -13.1936 -11.6205 -11.6205 -9.6537 -9.6507 -9.1144 -9.1112 -8.8324 -8.8247 -3.6079 -3.6073 -2.1879 -2.1838 -1.5045 -1.5042 -1.4467 -1.4429 -1.0446 -1.0410 -1.0197 -1.0098 0.4610 0.4732 0.6537 0.6572 1.8796 1.8804 1.9583 1.9644 2.3727 2.3827 2.6572 2.6699 2.8838 2.8907 3.2872 3.2875 3.4250 3.4254 4.4276 4.4309 4.4603 4.4649 4.8377 4.8414 11.8250 11.8281 12.2030 12.2034 12.4676 12.4693 12.7382 12.7546 13.2816 13.2820 k =-0.3977 0.4753-0.0000 ( 4380 PWs) bands (ev): -13.4159 -13.4158 -13.1942 -13.1941 -11.5992 -11.5992 -9.7014 -9.6986 -9.1026 -9.0991 -8.8165 -8.8086 -3.6022 -3.6015 -2.1718 -2.1674 -1.5212 -1.5209 -1.3721 -1.3678 -1.0877 -1.0768 -1.0668 -1.0640 0.5123 0.5245 0.6449 0.6485 1.8853 1.8861 1.9218 1.9283 2.3776 2.3868 2.6757 2.6878 2.8565 2.8640 3.3047 3.3052 3.4232 3.4237 4.3833 4.3865 4.4820 4.4871 4.8202 4.8238 11.8487 11.8530 12.2220 12.2224 12.4737 12.4758 12.8042 12.8190 13.2320 13.2323 k =-0.3892 0.4890-0.0000 ( 4388 PWs) bands (ev): -13.4206 -13.4205 -13.1947 -13.1947 -11.5761 -11.5761 -9.7490 -9.7464 -9.0899 -9.0861 -8.8028 -8.7948 -3.5966 -3.5958 -2.1516 -2.1470 -1.5391 -1.5388 -1.2951 -1.2904 -1.1535 -1.1431 -1.0916 -1.0880 0.5621 0.5742 0.6345 0.6383 1.8819 1.8879 1.8931 1.8933 2.3820 2.3903 2.6958 2.7071 2.8281 2.8361 3.3237 3.3244 3.4216 3.4221 4.3382 4.3413 4.5053 4.5106 4.8012 4.8047 11.8711 11.8767 12.2419 12.2424 12.4813 12.4831 12.8789 12.8926 13.1806 13.1809 k =-0.3807 0.5028-0.0000 ( 4400 PWs) bands (ev): -13.4258 -13.4257 -13.1951 -13.1951 -11.5512 -11.5512 -9.7965 -9.7940 -9.0764 -9.0723 -8.7913 -8.7832 -3.5910 -3.5902 -2.1276 -2.1227 -1.5581 -1.5578 -1.2194 -1.2152 -1.2127 -1.2065 -1.1169 -1.1130 0.6101 0.6208 0.6240 0.6266 1.8387 1.8459 1.9010 1.9015 2.3859 2.3932 2.7171 2.7275 2.7988 2.8073 3.3441 3.3451 3.4203 3.4208 4.2926 4.2957 4.5297 4.5354 4.7810 4.7845 11.8913 11.8984 12.2625 12.2631 12.4931 12.4941 12.9597 12.9727 13.1279 13.1281 k =-0.3722 0.5165-0.0000 ( 4396 PWs) bands (ev): -13.4313 -13.4312 -13.1956 -13.1955 -11.5245 -11.5245 -9.8438 -9.8414 -9.0621 -9.0578 -8.7819 -8.7737 -3.5858 -3.5849 -2.1001 -2.0951 -1.5781 -1.5777 -1.2827 -1.2725 -1.1439 -1.1387 -1.1337 -1.1292 0.6085 0.6125 0.6572 0.6692 1.7924 1.7999 1.9110 1.9115 2.3895 2.3957 2.7394 2.7487 2.7689 2.7779 3.3659 3.3672 3.4195 3.4200 4.2469 4.2498 4.5553 4.5612 4.7599 4.7632 11.9089 11.9174 12.2834 12.2841 12.5105 12.5106 13.0447 13.0573 13.0743 13.0746 k =-0.3636 0.5302-0.0000 ( 4376 PWs) bands (ev): -13.4373 -13.4372 -13.1959 -13.1959 -11.4961 -11.4961 -9.8907 -9.8885 -9.0471 -9.0425 -8.7747 -8.7664 -3.5810 -3.5801 -2.0697 -2.0645 -1.5990 -1.5986 -1.3449 -1.3347 -1.1697 -1.1649 -1.0516 -1.0460 0.5929 0.5970 0.7023 0.7143 1.7429 1.7507 1.9227 1.9232 2.3930 2.3979 2.7382 2.7477 2.7626 2.7706 3.3883 3.3907 3.4199 3.4200 4.2012 4.2040 4.5819 4.5880 4.7379 4.7411 11.9235 11.9334 12.3043 12.3052 12.5334 12.5346 13.0197 13.0199 13.1337 13.1457 k =-0.3551 0.5439-0.0000 ( 4368 PWs) bands (ev): -13.4438 -13.4437 -13.1962 -13.1962 -11.4659 -11.4659 -9.9371 -9.9351 -9.0314 -9.0266 -8.7694 -8.7611 -3.5768 -3.5759 -2.0371 -2.0319 -1.6208 -1.6203 -1.4047 -1.3945 -1.1965 -1.1913 -0.9671 -0.9612 0.5754 0.5796 0.7461 0.7579 1.6905 1.6985 1.9360 1.9365 2.3963 2.4000 2.7074 2.7173 2.7857 2.7924 3.4071 3.4120 3.4240 3.4263 4.1558 4.1584 4.6094 4.6157 4.7153 4.7184 11.9350 11.9461 12.3246 12.3257 12.5630 12.5655 12.9650 12.9654 13.2245 13.2363 k =-0.3466 0.5576-0.0000 ( 4376 PWs) bands (ev): -13.4506 -13.4505 -13.1964 -13.1964 -11.4340 -11.4340 -9.9830 -9.9811 -9.0152 -9.0101 -8.7662 -8.7578 -3.5734 -3.5724 -2.0035 -1.9982 -1.6435 -1.6430 -1.4611 -1.4509 -1.2233 -1.2177 -0.8814 -0.8752 0.5561 0.5603 0.7884 0.8002 1.6352 1.6434 1.9512 1.9516 2.3995 2.4021 2.6764 2.6866 2.8086 2.8141 3.4135 3.4177 3.4460 3.4470 4.1109 4.1133 4.6375 4.6440 4.6923 4.6953 11.9437 11.9558 12.3435 12.3450 12.5994 12.6029 12.9107 12.9115 13.3168 13.3285 k =-0.3466 0.5576-0.0000 ( 4376 PWs) bands (ev): -13.4506 -13.4505 -13.1964 -13.1964 -11.4340 -11.4340 -9.9830 -9.9811 -9.0152 -9.0101 -8.7662 -8.7578 -3.5734 -3.5724 -2.0035 -1.9982 -1.6435 -1.6430 -1.4611 -1.4509 -1.2233 -1.2177 -0.8814 -0.8752 0.5561 0.5603 0.7884 0.8002 1.6352 1.6434 1.9512 1.9516 2.3995 2.4021 2.6764 2.6866 2.8086 2.8141 3.4135 3.4177 3.4460 3.4470 4.1109 4.1133 4.6375 4.6440 4.6923 4.6953 11.9437 11.9558 12.3435 12.3450 12.5994 12.6029 12.9107 12.9115 13.3168 13.3285 k =-0.3466 0.5576 0.0163 ( 4374 PWs) bands (ev): -13.4504 -13.4503 -13.1965 -13.1965 -11.4331 -11.4331 -9.9825 -9.9806 -9.0174 -9.0123 -8.7670 -8.7587 -3.5710 -3.5701 -2.0101 -2.0049 -1.6438 -1.6433 -1.4519 -1.4417 -1.2219 -1.2164 -0.8845 -0.8783 0.5566 0.5609 0.7898 0.8016 1.6336 1.6418 1.9507 1.9512 2.3995 2.4021 2.6751 2.6853 2.8104 2.8158 3.4102 3.4140 3.4501 3.4508 4.1107 4.1131 4.6372 4.6437 4.6916 4.6945 11.9403 11.9523 12.3420 12.3435 12.6013 12.6047 12.9053 12.9061 13.3222 13.3338 k =-0.3466 0.5576 0.0325 ( 4372 PWs) bands (ev): -13.4499 -13.4498 -13.1968 -13.1968 -11.4302 -11.4302 -9.9809 -9.9790 -9.0242 -9.0191 -8.7697 -8.7613 -3.5639 -3.5630 -2.0288 -2.0235 -1.6448 -1.6443 -1.4255 -1.4154 -1.2177 -1.2122 -0.8939 -0.8878 0.5583 0.5626 0.7940 0.8056 1.6289 1.6370 1.9492 1.9497 2.3995 2.4019 2.6713 2.6813 2.8157 2.8211 3.4028 3.4062 3.4594 3.4597 4.1100 4.1125 4.6361 4.6425 4.6894 4.6924 11.9303 11.9421 12.3375 12.3390 12.6070 12.6098 12.8893 12.8901 13.3383 13.3494 k =-0.3466 0.5576 0.0488 ( 4372 PWs) bands (ev): -13.4490 -13.4489 -13.1973 -13.1973 -11.4255 -11.4255 -9.9783 -9.9764 -9.0354 -9.0303 -8.7740 -8.7657 -3.5521 -3.5512 -2.0564 -2.0511 -1.6465 -1.6460 -1.3851 -1.3750 -1.2106 -1.2051 -0.9092 -0.9033 0.5612 0.5655 0.8008 0.8121 1.6212 1.6291 1.9468 1.9473 2.3996 2.4018 2.6649 2.6747 2.8244 2.8296 3.3940 3.3973 3.4705 3.4708 4.1091 4.1115 4.6342 4.6406 4.6859 4.6888 11.9146 11.9263 12.3301 12.3315 12.6159 12.6180 12.8631 12.8640 13.3642 13.3748 k =-0.3466 0.5576 0.0650 ( 4370 PWs) bands (ev): -13.4477 -13.4476 -13.1981 -13.1980 -11.4189 -11.4189 -9.9746 -9.9727 -9.0509 -9.0459 -8.7801 -8.7719 -3.5357 -3.5349 -2.0897 -2.0844 -1.6490 -1.6485 -1.3340 -1.3240 -1.2006 -1.1952 -0.9302 -0.9245 0.5651 0.5695 0.8098 0.8207 1.6104 1.6180 1.9435 1.9440 2.3999 2.4019 2.6559 2.6653 2.8362 2.8412 3.3850 3.3882 3.4828 3.4831 4.1077 4.1101 4.6315 4.6379 4.6809 4.6839 11.8947 11.9062 12.3198 12.3212 12.6274 12.6285 12.8274 12.8284 13.3988 13.4086 k =-0.3466 0.5576 0.0813 ( 4370 PWs) bands (ev): -13.4461 -13.4460 -13.1990 -13.1990 -11.4104 -11.4103 -9.9698 -9.9680 -9.0706 -9.0657 -8.7879 -8.7798 -3.5150 -3.5143 -2.1260 -2.1207 -1.6523 -1.6518 -1.2751 -1.2652 -1.1876 -1.1822 -0.9562 -0.9508 0.5703 0.5747 0.8206 0.8311 1.5966 1.6040 1.9393 1.9398 2.4008 2.4024 2.6443 2.6532 2.8508 2.8557 3.3761 3.3793 3.4957 3.4961 4.1060 4.1083 4.6281 4.6344 4.6746 4.6775 11.8719 11.8833 12.3066 12.3080 12.6408 12.6409 12.7836 12.7847 13.4405 13.4494 k =-0.3466 0.5576 0.0976 ( 4370 PWs) bands (ev): -13.4442 -13.4441 -13.2001 -13.2001 -11.4000 -11.3999 -9.9640 -9.9622 -9.0944 -9.0896 -8.7974 -8.7893 -3.4901 -3.4895 -2.1634 -2.1581 -1.6566 -1.6561 -1.2110 -1.2011 -1.1713 -1.1661 -0.9864 -0.9812 0.5765 0.5810 0.8328 0.8428 1.5801 1.5870 1.9343 1.9348 2.4025 2.4037 2.6298 2.6382 2.8680 2.8726 3.3673 3.3706 3.5091 3.5098 4.1040 4.1063 4.6237 4.6301 4.6668 4.6696 11.8479 11.8590 12.2904 12.2917 12.6548 12.6557 12.7337 12.7349 13.4874 13.4948 k =-0.3466 0.5576 0.1138 ( 4376 PWs) bands (ev): -13.4419 -13.4418 -13.2015 -13.2015 -11.3877 -11.3876 -9.9572 -9.9554 -9.1221 -9.1173 -8.8085 -8.8005 -3.4613 -3.4608 -2.2006 -2.1954 -1.6620 -1.6615 -1.1533 -1.1468 -1.1432 -1.1351 -1.0185 -1.0132 0.5840 0.5885 0.8458 0.8553 1.5608 1.5673 1.9287 1.9292 2.4050 2.4058 2.6126 2.6204 2.8873 2.8918 3.3588 3.3622 3.5230 3.5240 4.1017 4.1040 4.6186 4.6248 4.6577 4.6605 11.8237 11.8348 12.2708 12.2721 12.6695 12.6714 12.6802 12.6815 13.4952 13.4960 k =-0.3466 0.5576 0.1301 ( 4383 PWs) bands (ev): -13.4392 -13.4391 -13.2031 -13.2031 -11.3736 -11.3735 -9.9493 -9.9476 -9.1534 -9.1488 -8.8211 -8.8134 -3.4288 -3.4284 -2.2368 -2.2317 -1.6685 -1.6680 -1.1297 -1.1241 -1.0953 -1.0893 -1.0331 -1.0253 0.5925 0.5972 0.8593 0.8681 1.5389 1.5449 1.9225 1.9231 2.4084 2.4090 2.5925 2.5995 2.9085 2.9128 3.3506 3.3540 3.5374 3.5386 4.0993 4.1015 4.6124 4.6186 4.6472 4.6499 11.8007 11.8118 12.2473 12.2485 12.6247 12.6261 12.6860 12.6888 13.4899 13.4907 k =-0.3466 0.5576 0.1464 ( 4382 PWs) bands (ev): -13.4363 -13.4362 -13.2048 -13.2048 -11.3576 -11.3575 -9.9403 -9.9387 -9.1882 -9.1837 -8.8354 -8.8277 -3.3931 -3.3928 -2.2712 -2.2663 -1.6762 -1.6758 -1.1176 -1.1129 -1.1025 -1.0978 -0.9781 -0.9684 0.6023 0.6070 0.8727 0.8809 1.5146 1.5201 1.9160 1.9166 2.4129 2.4131 2.5693 2.5756 2.9313 2.9354 3.3425 3.3461 3.5521 3.5536 4.0967 4.0988 4.6053 4.6114 4.6354 4.6380 11.7797 11.7908 12.2189 12.2200 12.5716 12.5730 12.7028 12.7065 13.4845 13.4852 k =-0.3466 0.5576 0.1626 ( 4384 PWs) bands (ev): -13.4330 -13.4329 -13.2068 -13.2068 -11.3397 -11.3396 -9.9304 -9.9288 -9.2261 -9.2217 -8.8511 -8.8436 -3.3543 -3.3542 -2.3036 -2.2988 -1.6853 -1.6849 -1.1594 -1.1557 -1.0733 -1.0682 -0.9028 -0.8929 0.6132 0.6181 0.8855 0.8931 1.4880 1.4929 1.9094 1.9101 2.4182 2.4183 2.5432 2.5486 2.9553 2.9593 3.3347 3.3383 3.5672 3.5690 4.0941 4.0961 4.5972 4.6032 4.6223 4.6249 11.7615 11.7727 12.1847 12.1855 12.5231 12.5244 12.7203 12.7249 13.4782 13.4789 k =-0.3466 0.5576 0.1789 ( 4385 PWs) bands (ev): -13.4295 -13.4294 -13.2090 -13.2090 -11.3201 -11.3199 -9.9194 -9.9179 -9.2671 -9.2628 -8.8682 -8.8609 -3.3129 -3.3128 -2.3335 -2.3289 -1.6957 -1.6953 -1.2063 -1.2029 -1.0400 -1.0351 -0.8234 -0.8135 0.6252 0.6303 0.8975 0.9044 1.4592 1.4635 1.9029 1.9038 2.4241 2.4246 2.5139 2.5185 2.9803 2.9841 3.3272 3.3308 3.5826 3.5848 4.0915 4.0935 4.5880 4.5939 4.6080 4.6105 11.7468 11.7580 12.1440 12.1445 12.4815 12.4827 12.7385 12.7439 13.4706 13.4712 k =-0.3466 0.5576 0.1951 ( 4392 PWs) bands (ev): -13.4256 -13.4255 -13.2115 -13.2114 -11.2986 -11.2984 -9.9074 -9.9059 -9.3107 -9.3066 -8.8867 -8.8796 -3.2692 -3.2691 -2.3608 -2.3564 -1.7075 -1.7071 -1.2557 -1.2527 -1.0031 -0.9983 -0.7421 -0.7323 0.6385 0.6437 0.9084 0.9146 1.4284 1.4321 1.8969 1.8978 2.4307 2.4315 2.4814 2.4851 3.0059 3.0096 3.3198 3.3235 3.5984 3.6008 4.0890 4.0909 4.5777 4.5834 4.5926 4.5950 11.7359 11.7473 12.0973 12.0973 12.4479 12.4489 12.7570 12.7632 13.4611 13.4616 k =-0.3466 0.5576 0.2114 ( 4392 PWs) bands (ev): -13.4215 -13.4214 -13.2141 -13.2141 -11.2753 -11.2751 -9.8943 -9.8930 -9.3568 -9.3528 -8.9065 -8.8997 -3.2236 -3.2233 -2.3854 -2.3811 -1.7207 -1.7203 -1.3069 -1.3042 -0.9626 -0.9580 -0.6597 -0.6499 0.6529 0.6583 0.9177 0.9233 1.3958 1.3989 1.8916 1.8927 2.4375 2.4382 2.4461 2.4491 3.0319 3.0355 3.3127 3.3164 3.6145 3.6173 4.0867 4.0885 4.5662 4.5716 4.5761 4.5785 11.7293 11.7408 12.0456 12.0460 12.4221 12.4228 12.7759 12.7828 13.4491 13.4497 k =-0.3466 0.5576 0.2277 ( 4393 PWs) bands (ev): -13.4171 -13.4170 -13.2169 -13.2169 -11.2502 -11.2500 -9.8803 -9.8791 -9.4051 -9.4012 -8.9276 -8.9209 -3.1763 -3.1759 -2.4071 -2.4030 -1.7353 -1.7349 -1.3594 -1.3570 -0.9185 -0.9141 -0.5767 -0.5669 0.6685 0.6741 0.9254 0.9303 1.3614 1.3639 1.8873 1.8886 2.4068 2.4082 2.4452 2.4468 3.0580 3.0614 3.3058 3.3096 3.6309 3.6341 4.0846 4.0865 4.5535 4.5581 4.5586 4.5616 11.7272 11.7388 11.9913 11.9922 12.4031 12.4035 12.7947 12.8023 13.4343 13.4350 k =-0.3466 0.5576 0.2439 ( 4403 PWs) bands (ev): -13.4125 -13.4124 -13.2200 -13.2199 -11.2233 -11.2231 -9.8653 -9.8641 -9.4554 -9.4516 -8.9497 -8.9433 -3.1277 -3.1271 -2.4258 -2.4219 -1.7513 -1.7510 -1.4128 -1.4106 -0.8709 -0.8667 -0.4935 -0.4837 0.6854 0.6911 0.9313 0.9355 1.3254 1.3273 1.8844 1.8858 2.3648 2.3653 2.4523 2.4540 3.0838 3.0871 3.2991 3.3029 3.6478 3.6513 4.0830 4.0848 4.5396 4.5402 4.5412 4.5459 11.7297 11.7414 11.9367 11.9380 12.3895 12.3897 12.8130 12.8215 13.4161 13.4168 k =-0.3466 0.5576 0.2602 ( 4414 PWs) bands (ev): -13.4076 -13.4075 -13.2232 -13.2232 -11.1947 -11.1944 -9.8493 -9.8482 -9.5073 -9.5038 -8.9730 -8.9668 -3.0780 -3.0774 -2.4415 -2.4379 -1.7688 -1.7685 -1.4667 -1.4647 -0.8198 -0.8159 -0.4105 -0.4008 0.7033 0.7093 0.9352 0.9388 1.2880 1.2892 1.8831 1.8848 2.3191 2.3196 2.4589 2.4608 3.1090 3.1122 3.2928 3.2966 3.6653 3.6690 4.0818 4.0835 4.5210 4.5222 4.5244 4.5302 11.7369 11.7487 11.8836 11.8852 12.3803 12.3804 12.8305 12.8397 13.3938 13.3947 k =-0.3466 0.5576 0.2765 ( 4418 PWs) bands (ev): -13.4025 -13.4024 -13.2267 -13.2267 -11.1644 -11.1640 -9.8323 -9.8314 -9.5608 -9.5574 -8.9972 -8.9913 -3.0276 -3.0268 -2.4542 -2.4508 -1.7876 -1.7874 -1.5208 -1.5191 -0.7654 -0.7618 -0.3281 -0.3185 0.7225 0.7286 0.9370 0.9400 1.2493 1.2498 1.8838 1.8856 2.2698 2.2714 2.4648 2.4668 3.1333 3.1363 3.2868 3.2906 3.6833 3.6873 4.0811 4.0829 4.5012 4.5023 4.5079 4.5135 11.7489 11.7608 11.8334 11.8355 12.3743 12.3745 12.8465 12.8564 13.3664 13.3676 k =-0.3466 0.5576 0.2927 ( 4414 PWs) bands (ev): -13.3972 -13.3971 -13.2303 -13.2303 -11.1324 -11.1320 -9.8144 -9.8136 -9.6156 -9.6123 -9.0224 -9.0167 -2.9767 -2.9759 -2.4639 -2.4607 -1.8079 -1.8076 -1.5750 -1.5734 -0.7077 -0.7044 -0.2467 -0.2372 0.7427 0.7491 0.9367 0.9390 1.2093 1.2093 1.8868 1.8888 2.2177 2.2203 2.4694 2.4716 3.1563 3.1591 3.2813 3.2850 3.7021 3.7063 4.0811 4.0828 4.4808 4.4818 4.4902 4.4956 11.7655 11.7772 11.7875 11.7902 12.3709 12.3712 12.8601 12.8708 13.3328 13.3345 k =-0.3466 0.5576 0.3090 ( 4408 PWs) bands (ev): -13.3918 -13.3917 -13.2342 -13.2342 -11.0986 -11.0982 -9.7955 -9.7949 -9.6714 -9.6682 -9.0484 -9.0429 -2.9256 -2.9247 -2.4705 -2.4675 -1.8295 -1.8293 -1.6289 -1.6275 -0.6470 -0.6441 -0.1667 -0.1573 0.7640 0.7705 0.9343 0.9360 1.1679 1.1684 1.8922 1.8944 2.1628 2.1666 2.4725 2.4749 3.1776 3.1803 3.2763 3.2800 3.7217 3.7261 4.0818 4.0835 4.4601 4.4609 4.4711 4.4764 11.7465 11.7491 11.7869 11.7990 12.3691 12.3695 12.8705 12.8819 13.2915 13.2939 k =-0.3466 0.5576 0.3252 ( 4409 PWs) bands (ev): -13.3862 -13.3861 -13.2383 -13.2382 -11.0633 -11.0628 -9.7758 -9.7753 -9.7281 -9.7250 -9.0751 -9.0699 -2.8745 -2.8735 -2.4741 -2.4713 -1.8526 -1.8524 -1.6823 -1.6810 -0.5834 -0.5809 -0.0884 -0.0791 0.7859 0.7925 0.9297 0.9308 1.1260 1.1269 1.9003 1.9026 2.1055 2.1103 2.4737 2.4762 3.1969 3.1994 3.2720 3.2756 3.7423 3.7469 4.0832 4.0849 4.4390 4.4397 4.4508 4.4560 11.7114 11.7144 11.8125 11.8247 12.3679 12.3684 12.8765 12.8885 13.2416 13.2449 k =-0.3466 0.5576 0.3415 ( 4415 PWs) bands (ev): -13.3804 -13.3803 -13.2425 -13.2425 -11.0263 -11.0257 -9.7855 -9.7826 -9.7551 -9.7547 -9.1025 -9.0975 -2.8236 -2.8226 -2.4747 -2.4720 -1.8769 -1.8768 -1.7350 -1.7339 -0.5172 -0.5151 -0.0121 -0.0030 0.8079 0.8144 0.9229 0.9234 1.0843 1.0854 1.9112 1.9138 2.0460 2.0518 2.4727 2.4753 3.2139 3.2162 3.2687 3.2722 3.7640 3.7687 4.0855 4.0872 4.4179 4.4183 4.4293 4.4344 11.6827 11.6860 11.8424 11.8546 12.3662 12.3666 12.8771 12.8896 13.1838 13.1880 k =-0.3466 0.5576 0.3578 ( 4415 PWs) bands (ev): -13.3745 -13.3744 -13.2470 -13.2469 -10.9877 -10.9871 -9.8433 -9.8406 -9.7336 -9.7334 -9.1304 -9.1257 -2.7731 -2.7720 -2.4722 -2.4698 -1.9027 -1.9026 -1.7870 -1.7860 -0.4485 -0.4469 0.0618 0.0707 0.8286 0.8346 0.9139 0.9139 1.0445 1.0453 1.9252 1.9278 1.9846 1.9915 2.4691 2.4718 3.2280 3.2301 3.2666 3.2700 3.7869 3.7916 4.0887 4.0903 4.3966 4.3969 4.4065 4.4116 11.6609 11.6644 11.8763 11.8885 12.3624 12.3628 12.8713 12.8841 13.1212 13.1262 k =-0.3466 0.5576 0.3740 ( 4409 PWs) bands (ev): -13.3685 -13.3684 -13.2516 -13.2516 -10.9476 -10.9469 -9.9014 -9.8988 -9.7112 -9.7112 -9.1588 -9.1544 -2.7230 -2.7219 -2.4669 -2.4646 -1.9297 -1.9297 -1.8379 -1.8370 -0.3778 -0.3767 0.1329 0.1416 0.8441 0.8487 0.9022 0.9028 1.0105 1.0110 1.9217 1.9294 1.9423 1.9449 2.4628 2.4656 3.2386 3.2406 3.2665 3.2696 3.8110 3.8157 4.0928 4.0944 4.3755 4.3755 4.3827 4.3877 11.6461 11.6499 11.9140 11.9262 12.3546 12.3548 12.8583 12.8712 13.0588 13.0641 k =-0.3466 0.5576 0.3903 ( 4403 PWs) bands (ev): -13.3624 -13.3623 -13.2564 -13.2564 -10.9059 -10.9051 -9.9598 -9.9573 -9.6882 -9.6881 -9.1876 -9.1835 -2.6736 -2.6725 -2.4586 -2.4566 -1.9581 -1.9581 -1.8876 -1.8868 -0.3052 -0.3047 0.2011 0.2096 0.8459 0.8473 0.8884 0.8895 0.9896 0.9932 1.8578 1.8664 1.9621 1.9650 2.4534 2.4563 3.2452 3.2472 3.2687 3.2715 3.8362 3.8409 4.0979 4.0995 4.3542 4.3546 4.3578 4.3629 11.6388 11.6428 11.9551 11.9673 12.3404 12.3405 12.8378 12.8508 13.0016 13.0069 k =-0.3466 0.5576 0.4065 ( 4403 PWs) bands (ev): -13.3563 -13.3562 -13.2614 -13.2614 -10.8628 -10.8619 -10.0181 -10.0157 -9.6644 -9.6641 -9.2167 -9.2128 -2.6249 -2.6239 -2.4475 -2.4456 -1.9878 -1.9877 -1.9361 -1.9353 -0.2313 -0.2312 0.2661 0.2743 0.8231 0.8251 0.8724 0.8741 0.9915 0.9984 1.7931 1.8026 1.9850 1.9879 2.4409 2.4438 3.2486 3.2507 3.2727 3.2750 3.8626 3.8672 4.1040 4.1055 4.3318 4.3327 4.3341 4.3377 11.6389 11.6431 11.9994 12.0115 12.3173 12.3180 12.8102 12.8230 12.9542 12.9592 k =-0.3466 0.5576 0.4228 ( 4404 PWs) bands (ev): -13.3500 -13.3499 -13.2666 -13.2665 -10.8182 -10.8173 -10.0763 -10.0741 -9.6399 -9.6395 -9.2461 -9.2424 -2.5771 -2.5761 -2.4336 -2.4319 -2.0188 -2.0187 -1.9831 -1.9824 -0.1568 -0.1562 0.3278 0.3356 0.7825 0.7862 0.8543 0.8564 1.0116 1.0204 1.7283 1.7385 2.0106 2.0136 2.4252 2.4281 3.2507 3.2528 3.2766 3.2786 3.8900 3.8946 4.1111 4.1126 4.3051 4.3085 4.3138 4.3147 11.6465 11.6509 12.0466 12.0586 12.2841 12.2854 12.7760 12.7886 12.9197 12.9242 k =-0.3466 0.5576 0.4391 ( 4402 PWs) bands (ev): -13.3438 -13.3437 -13.2719 -13.2718 -10.7722 -10.7712 -10.1343 -10.1321 -9.6147 -9.6141 -9.2755 -9.2722 -2.5302 -2.5292 -2.4170 -2.4154 -2.0510 -2.0509 -2.0285 -2.0279 -0.0817 -0.0805 0.3860 0.3935 0.7331 0.7376 0.8341 0.8366 1.0414 1.0512 1.6637 1.6745 2.0387 2.0418 2.4062 2.4092 3.2526 3.2547 3.2794 3.2812 3.9184 3.9229 4.1192 4.1207 4.2774 4.2813 4.2941 4.2943 11.6615 11.6661 12.0962 12.1082 12.2408 12.2428 12.7360 12.7484 12.8992 12.9029 k =-0.3466 0.5576 0.4553 ( 4396 PWs) bands (ev): -13.3375 -13.3374 -13.2773 -13.2773 -10.7249 -10.7239 -10.1918 -10.1898 -9.5888 -9.5880 -9.3051 -9.3020 -2.4842 -2.4832 -2.3976 -2.3961 -2.0845 -2.0845 -2.0722 -2.0717 -0.0064 -0.0045 0.4406 0.4478 0.6786 0.6836 0.8116 0.8146 1.0768 1.0873 1.5998 1.6112 2.0690 2.0720 2.3842 2.3872 3.2549 3.2569 3.2809 3.2825 3.9475 3.9520 4.1284 4.1298 4.2491 4.2531 4.2749 4.2750 11.6838 11.6886 12.1476 12.1599 12.1893 12.1918 12.6913 12.7035 12.8918 12.8948 k =-0.3466 0.5576 0.4716 ( 4392 PWs) bands (ev): -13.3312 -13.3312 -13.2829 -13.2829 -10.6763 -10.6752 -10.2489 -10.2470 -9.5624 -9.5613 -9.3346 -9.3318 -2.4392 -2.4383 -2.3756 -2.3743 -2.1195 -2.1193 -2.1139 -2.1137 0.0688 0.0714 0.4918 0.4986 0.6204 0.6256 0.7868 0.7903 1.1162 1.1273 1.5371 1.5489 2.1010 2.1041 2.3592 2.3623 3.2576 3.2595 3.2809 3.2824 3.9773 3.9817 4.1387 4.1400 4.2201 4.2241 4.2562 4.2566 11.7132 11.7180 12.1310 12.1348 12.2019 12.2134 12.6427 12.6547 12.8955 12.8979 k =-0.3466 0.5576 0.4879 ( 4393 PWs) bands (ev): -13.3250 -13.3249 -13.2887 -13.2886 -10.6265 -10.6253 -10.3054 -10.3036 -9.5353 -9.5341 -9.3641 -9.3615 -2.3953 -2.3945 -2.3511 -2.3499 -2.1565 -2.1556 -2.1535 -2.1529 0.1435 0.1466 0.5393 0.5456 0.5594 0.5645 0.7597 0.7636 1.1591 1.1705 1.4760 1.4881 2.1343 2.1374 2.3316 2.3346 3.2608 3.2625 3.2798 3.2812 4.0075 4.0118 4.1499 4.1511 4.1905 4.1945 4.2383 4.2389 11.7492 11.7542 12.0705 12.0746 12.2567 12.2683 12.5911 12.6029 12.9080 12.9099 k =-0.3466 0.5576 0.5041 ( 4393 PWs) bands (ev): -13.3188 -13.3187 -13.2945 -13.2944 -10.5755 -10.5742 -10.3612 -10.3595 -9.5078 -9.5063 -9.3934 -9.3910 -2.3525 -2.3517 -2.3241 -2.3230 -2.1941 -2.1931 -2.1913 -2.1905 0.2171 0.2208 0.4952 0.5003 0.5838 0.5898 0.7301 0.7344 1.2050 1.2168 1.4168 1.4291 2.1684 2.1715 2.3017 2.3047 3.2643 3.2659 3.2777 3.2791 4.0380 4.0423 4.1596 4.1620 4.1642 4.1648 4.2213 4.2221 11.7916 11.7965 12.0094 12.0138 12.3126 12.3242 12.5373 12.5490 12.9273 12.9289 k =-0.3466 0.5576 0.5204 ( 4389 PWs) bands (ev): -13.3126 -13.3125 -13.3004 -13.3004 -10.5234 -10.5220 -10.4161 -10.4146 -9.4797 -9.4781 -9.4225 -9.4204 -2.3108 -2.3102 -2.2947 -2.2937 -2.2312 -2.2309 -2.2278 -2.2277 0.2895 0.2936 0.4288 0.4337 0.6248 0.6304 0.6978 0.7026 1.2539 1.2659 1.3599 1.3723 2.2027 2.2058 2.2699 2.2730 3.2679 3.2694 3.2748 3.2763 4.0687 4.0729 4.1300 4.1341 4.1756 4.1767 4.2051 4.2060 11.8396 11.8445 11.9495 11.9542 12.3692 12.3808 12.4820 12.4937 12.9518 12.9530 k =-0.3466 0.5576 0.5366 ( 4396 PWs) bands (ev): -13.3065 -13.3065 -13.3064 -13.3064 -10.4702 -10.4702 -10.4688 -10.4688 -9.4513 -9.4513 -9.4494 -9.4494 -2.2707 -2.2707 -2.2704 -2.2704 -2.2621 -2.2621 -2.2615 -2.2615 0.3601 0.3601 0.3647 0.3647 0.6628 0.6628 0.6680 0.6680 1.3056 1.3056 1.3178 1.3178 2.2368 2.2368 2.2398 2.2398 3.2715 3.2715 3.2730 3.2730 4.0994 4.0994 4.1036 4.1036 4.1899 4.1899 4.1909 4.1909 11.8925 11.8925 11.8973 11.8973 12.4258 12.4258 12.4374 12.4374 12.9802 12.9803 k =-0.3466 0.5576 0.5366 ( 4396 PWs) bands (ev): -13.3065 -13.3065 -13.3064 -13.3064 -10.4702 -10.4702 -10.4688 -10.4688 -9.4513 -9.4513 -9.4494 -9.4494 -2.2707 -2.2707 -2.2704 -2.2704 -2.2621 -2.2621 -2.2615 -2.2615 0.3601 0.3601 0.3647 0.3647 0.6628 0.6628 0.6680 0.6680 1.3056 1.3056 1.3178 1.3178 2.2368 2.2368 2.2398 2.2398 3.2715 3.2715 3.2730 3.2730 4.0994 4.0994 4.1036 4.1036 4.1899 4.1899 4.1909 4.1909 11.8925 11.8925 11.8973 11.8973 12.4258 12.4258 12.4374 12.4374 12.9802 12.9802 k =-0.3551 0.5439 0.5366 ( 4396 PWs) bands (ev): -13.3034 -13.3034 -13.3034 -13.3034 -10.4980 -10.4980 -10.4966 -10.4966 -9.4203 -9.4203 -9.4185 -9.4185 -2.3348 -2.3348 -2.3338 -2.3338 -2.2299 -2.2299 -2.2292 -2.2292 0.3804 0.3804 0.3851 0.3851 0.6708 0.6708 0.6756 0.6756 1.3087 1.3087 1.3209 1.3209 2.2491 2.2491 2.2520 2.2520 3.2620 3.2620 3.2636 3.2636 4.0739 4.0739 4.0781 4.0781 4.2191 4.2191 4.2201 4.2201 11.8394 11.8394 11.8440 11.8440 12.4221 12.4221 12.4332 12.4332 13.0096 13.0096 k =-0.3636 0.5302 0.5366 ( 4400 PWs) bands (ev): -13.3005 -13.3005 -13.3005 -13.3005 -10.5244 -10.5244 -10.5230 -10.5230 -9.3900 -9.3900 -9.3883 -9.3883 -2.4040 -2.4040 -2.4030 -2.4030 -2.1921 -2.1921 -2.1914 -2.1914 0.3988 0.3988 0.4036 0.4036 0.6785 0.6785 0.6831 0.6831 1.3130 1.3130 1.3249 1.3249 2.2621 2.2621 2.2649 2.2649 3.2519 3.2519 3.2536 3.2536 4.0499 4.0499 4.0541 4.0541 4.2488 4.2488 4.2498 4.2498 11.7868 11.7868 11.7913 11.7913 12.4167 12.4167 12.4272 12.4272 13.0393 13.0393 k =-0.3722 0.5165 0.5366 ( 4394 PWs) bands (ev): -13.2978 -13.2978 -13.2977 -13.2977 -10.5493 -10.5493 -10.5480 -10.5480 -9.3606 -9.3606 -9.3589 -9.3589 -2.4707 -2.4707 -2.4696 -2.4696 -2.1564 -2.1564 -2.1557 -2.1557 0.4154 0.4154 0.4201 0.4201 0.6861 0.6861 0.6903 0.6903 1.3181 1.3181 1.3297 1.3297 2.2758 2.2758 2.2783 2.2783 3.2411 3.2411 3.2429 3.2429 4.0274 4.0274 4.0315 4.0315 4.2788 4.2788 4.2797 4.2797 11.7355 11.7355 11.7398 11.7398 12.4101 12.4101 12.4200 12.4200 13.0687 13.0687 k =-0.3807 0.5028 0.5366 ( 4390 PWs) bands (ev): -13.2952 -13.2952 -13.2952 -13.2952 -10.5727 -10.5727 -10.5715 -10.5715 -9.3321 -9.3321 -9.3304 -9.3304 -2.5345 -2.5345 -2.5334 -2.5334 -2.1230 -2.1230 -2.1223 -2.1223 0.4301 0.4301 0.4347 0.4347 0.6933 0.6933 0.6973 0.6973 1.3239 1.3239 1.3351 1.3351 2.2899 2.2899 2.2923 2.2923 3.2298 3.2298 3.2316 3.2316 4.0066 4.0066 4.0106 4.0106 4.3088 4.3088 4.3097 4.3097 11.6859 11.6859 11.6899 11.6899 12.4029 12.4029 12.4122 12.4122 13.0973 13.0973 k =-0.3892 0.4890 0.5366 ( 4378 PWs) bands (ev): -13.2928 -13.2928 -13.2928 -13.2928 -10.5946 -10.5946 -10.5935 -10.5935 -9.3047 -9.3047 -9.3031 -9.3031 -2.5951 -2.5951 -2.5940 -2.5940 -2.0918 -2.0918 -2.0911 -2.0911 0.4432 0.4432 0.4477 0.4477 0.7002 0.7002 0.7039 0.7039 1.3302 1.3302 1.3410 1.3410 2.3043 2.3043 2.3065 2.3065 3.2180 3.2180 3.2198 3.2198 3.9872 3.9872 3.9911 3.9911 4.3385 4.3385 4.3394 4.3394 11.6384 11.6384 11.6422 11.6422 12.3956 12.3956 12.4042 12.4042 13.1248 13.1251 k =-0.3977 0.4753 0.5366 ( 4378 PWs) bands (ev): -13.2906 -13.2906 -13.2905 -13.2905 -10.6150 -10.6150 -10.6139 -10.6139 -9.2786 -9.2786 -9.2771 -9.2771 -2.6524 -2.6524 -2.6513 -2.6513 -2.0629 -2.0629 -2.0623 -2.0623 0.4547 0.4547 0.4590 0.4590 0.7068 0.7068 0.7102 0.7102 1.3369 1.3369 1.3472 1.3472 2.3188 2.3188 2.3208 2.3208 3.2060 3.2060 3.2077 3.2077 3.9695 3.9695 3.9732 3.9732 4.3677 4.3677 4.3686 4.3686 11.5934 11.5934 11.5969 11.5969 12.3886 12.3886 12.3965 12.3965 13.1509 13.1511 k =-0.4062 0.4616 0.5366 ( 4402 PWs) bands (ev): -13.2885 -13.2885 -13.2885 -13.2885 -10.6338 -10.6338 -10.6328 -10.6328 -9.2538 -9.2538 -9.2524 -9.2524 -2.7060 -2.7060 -2.7050 -2.7050 -2.0364 -2.0364 -2.0357 -2.0357 0.4648 0.4648 0.4689 0.4689 0.7130 0.7130 0.7161 0.7161 1.3438 1.3438 1.3534 1.3534 2.3332 2.3332 2.3350 2.3350 3.1938 3.1938 3.1955 3.1955 3.9534 3.9534 3.9569 3.9569 4.3961 4.3961 4.3969 4.3969 11.5511 11.5511 11.5544 11.5544 12.3822 12.3822 12.3895 12.3895 13.1754 13.1755 k =-0.4148 0.4479 0.5366 ( 4402 PWs) bands (ev): -13.2866 -13.2866 -13.2866 -13.2866 -10.6510 -10.6510 -10.6502 -10.6502 -9.2306 -9.2306 -9.2293 -9.2293 -2.7559 -2.7559 -2.7549 -2.7549 -2.0121 -2.0121 -2.0115 -2.0115 0.4735 0.4735 0.4774 0.4774 0.7188 0.7188 0.7216 0.7216 1.3507 1.3507 1.3596 1.3596 2.3473 2.3473 2.3490 2.3490 3.1816 3.1816 3.1833 3.1833 3.9388 3.9388 3.9421 3.9421 4.4234 4.4234 4.4242 4.4242 11.5118 11.5118 11.5148 11.5148 12.3767 12.3767 12.3834 12.3834 13.1981 13.1981 k =-0.4233 0.4342 0.5366 ( 4406 PWs) bands (ev): -13.2849 -13.2849 -13.2849 -13.2849 -10.6667 -10.6667 -10.6659 -10.6659 -9.2091 -9.2091 -9.2079 -9.2079 -2.8016 -2.8016 -2.8008 -2.8008 -1.9901 -1.9901 -1.9895 -1.9895 0.4811 0.4811 0.4847 0.4847 0.7242 0.7242 0.7267 0.7267 1.3573 1.3573 1.3655 1.3655 2.3610 2.3610 2.3625 2.3625 3.1697 3.1697 3.1713 3.1713 3.9258 3.9258 3.9288 3.9288 4.4492 4.4492 4.4499 4.4499 11.4757 11.4757 11.4785 11.4785 12.3724 12.3724 12.3784 12.3784 13.2188 13.2190 k =-0.4318 0.4205 0.5366 ( 4410 PWs) bands (ev): -13.2834 -13.2834 -13.2833 -13.2833 -10.6807 -10.6807 -10.6800 -10.6800 -9.1895 -9.1895 -9.1884 -9.1884 -2.8432 -2.8432 -2.8424 -2.8424 -1.9704 -1.9704 -1.9699 -1.9699 0.4876 0.4876 0.4909 0.4909 0.7291 0.7291 0.7313 0.7313 1.3637 1.3637 1.3712 1.3712 2.3740 2.3740 2.3754 2.3754 3.1582 3.1582 3.1597 3.1597 3.9143 3.9143 3.9171 3.9171 4.4733 4.4733 4.4739 4.4739 11.4430 11.4430 11.4455 11.4455 12.3692 12.3692 12.3746 12.3746 13.2375 13.2376 k =-0.4403 0.4068 0.5366 ( 4414 PWs) bands (ev): -13.2820 -13.2820 -13.2820 -13.2820 -10.6931 -10.6931 -10.6925 -10.6925 -9.1718 -9.1718 -9.1708 -9.1708 -2.8803 -2.8803 -2.8796 -2.8796 -1.9530 -1.9530 -1.9526 -1.9526 0.4932 0.4932 0.4960 0.4960 0.7335 0.7335 0.7355 0.7355 1.3697 1.3697 1.3763 1.3763 2.3862 2.3862 2.3874 2.3874 3.1474 3.1474 3.1487 3.1487 3.9043 3.9043 3.9067 3.9067 4.4954 4.4954 4.4959 4.4959 11.4138 11.4138 11.4160 11.4160 12.3672 12.3672 12.3720 12.3720 13.2540 13.2541 k =-0.4489 0.3931 0.5366 ( 4414 PWs) bands (ev): -13.2808 -13.2808 -13.2808 -13.2808 -10.7039 -10.7039 -10.7034 -10.7034 -9.1562 -9.1562 -9.1553 -9.1553 -2.9128 -2.9128 -2.9122 -2.9122 -1.9380 -1.9380 -1.9376 -1.9376 0.4978 0.4978 0.5003 0.5003 0.7374 0.7374 0.7391 0.7391 1.3752 1.3752 1.3809 1.3809 2.3973 2.3973 2.3983 2.3983 3.1374 3.1374 3.1385 3.1385 3.8957 3.8957 3.8978 3.8978 4.5151 4.5151 4.5156 4.5156 11.3883 11.3883 11.3901 11.3901 12.3663 12.3663 12.3704 12.3704 13.2684 13.2686 k =-0.4574 0.3793 0.5366 ( 4418 PWs) bands (ev): -13.2798 -13.2798 -13.2798 -13.2798 -10.7130 -10.7130 -10.7126 -10.7126 -9.1427 -9.1427 -9.1420 -9.1420 -2.9406 -2.9406 -2.9401 -2.9401 -1.9252 -1.9252 -1.9249 -1.9249 0.5016 0.5016 0.5037 0.5037 0.7408 0.7408 0.7422 0.7422 1.3800 1.3800 1.3848 1.3848 2.4072 2.4072 2.4080 2.4080 3.1285 3.1285 3.1295 3.1295 3.8885 3.8885 3.8903 3.8903 4.5323 4.5323 4.5327 4.5327 11.3665 11.3665 11.3681 11.3681 12.3663 12.3663 12.3697 12.3697 13.2806 13.2808 k =-0.4659 0.3656 0.5366 ( 4414 PWs) bands (ev): -13.2790 -13.2790 -13.2790 -13.2790 -10.7205 -10.7205 -10.7202 -10.7202 -9.1316 -9.1316 -9.1310 -9.1310 -2.9635 -2.9635 -2.9631 -2.9631 -1.9148 -1.9148 -1.9145 -1.9145 0.5047 0.5047 0.5064 0.5064 0.7436 0.7436 0.7447 0.7447 1.3841 1.3841 1.3880 1.3880 2.4156 2.4156 2.4163 2.4163 3.1209 3.1209 3.1217 3.1217 3.8828 3.8828 3.8842 3.8842 4.5467 4.5467 4.5470 4.5470 11.3487 11.3487 11.3499 11.3499 12.3670 12.3670 12.3697 12.3697 13.2906 13.2907 k =-0.4744 0.3519 0.5366 ( 4414 PWs) bands (ev): -13.2783 -13.2783 -13.2783 -13.2783 -10.7263 -10.7263 -10.7261 -10.7261 -9.1228 -9.1228 -9.1224 -9.1224 -2.9814 -2.9814 -2.9811 -2.9811 -1.9067 -1.9067 -1.9065 -1.9065 0.5071 0.5071 0.5084 0.5084 0.7459 0.7459 0.7467 0.7467 1.3875 1.3875 1.3904 1.3904 2.4223 2.4223 2.4229 2.4229 3.1148 3.1148 3.1154 3.1154 3.8783 3.8783 3.8794 3.8794 4.5581 4.5581 4.5584 4.5584 11.3347 11.3347 11.3356 11.3356 12.3680 12.3680 12.3700 12.3700 13.2984 13.2984 k =-0.4830 0.3382 0.5366 ( 4414 PWs) bands (ev): -13.2779 -13.2779 -13.2779 -13.2779 -10.7305 -10.7305 -10.7303 -10.7303 -9.1165 -9.1165 -9.1162 -9.1162 -2.9943 -2.9943 -2.9941 -2.9941 -1.9009 -1.9009 -1.9007 -1.9007 0.5089 0.5089 0.5097 0.5097 0.7475 0.7475 0.7481 0.7481 1.3901 1.3901 1.3921 1.3921 2.4273 2.4273 2.4277 2.4277 3.1104 3.1104 3.1107 3.1107 3.8752 3.8752 3.8760 3.8760 4.5664 4.5664 4.5666 4.5666 11.3247 11.3247 11.3253 11.3253 12.3691 12.3691 12.3704 12.3704 13.3039 13.3040 k =-0.4915 0.3245 0.5366 ( 4412 PWs) bands (ev): -13.2776 -13.2776 -13.2776 -13.2776 -10.7329 -10.7329 -10.7328 -10.7328 -9.1126 -9.1126 -9.1125 -9.1125 -3.0020 -3.0020 -3.0019 -3.0019 -1.8974 -1.8974 -1.8973 -1.8973 0.5100 0.5100 0.5104 0.5104 0.7486 0.7486 0.7488 0.7488 1.3919 1.3919 1.3928 1.3928 2.4304 2.4304 2.4306 2.4306 3.1077 3.1077 3.1078 3.1078 3.8735 3.8735 3.8738 3.8738 4.5715 4.5715 4.5715 4.5715 11.3188 11.3188 11.3191 11.3191 12.3700 12.3700 12.3707 12.3707 13.3073 13.3073 k =-0.5000 0.3108 0.5366 ( 4420 PWs) bands (ev): -13.2775 -13.2775 -13.2775 -13.2775 -10.7337 -10.7337 -10.7337 -10.7337 -9.1113 -9.1113 -9.1113 -9.1113 -3.0045 -3.0045 -3.0045 -3.0045 -1.8962 -1.8962 -1.8962 -1.8962 0.5105 0.5105 0.5105 0.5105 0.7490 0.7490 0.7490 0.7490 1.3928 1.3928 1.3928 1.3928 2.4315 2.4315 2.4315 2.4315 3.1068 3.1068 3.1068 3.1068 3.8730 3.8730 3.8730 3.8730 4.5732 4.5732 4.5732 4.5732 11.3169 11.3169 11.3169 11.3169 12.3705 12.3705 12.3705 12.3705 13.3084 13.3084 k =-0.5000 0.3108 0.5366 ( 4420 PWs) bands (ev): -13.2775 -13.2775 -13.2775 -13.2775 -10.7337 -10.7337 -10.7337 -10.7337 -9.1113 -9.1113 -9.1113 -9.1113 -3.0045 -3.0045 -3.0045 -3.0045 -1.8962 -1.8962 -1.8962 -1.8962 0.5105 0.5105 0.5105 0.5105 0.7490 0.7490 0.7490 0.7490 1.3928 1.3928 1.3928 1.3928 2.4315 2.4315 2.4315 2.4315 3.1068 3.1068 3.1068 3.1068 3.8730 3.8730 3.8730 3.8730 4.5732 4.5732 4.5732 4.5732 11.3169 11.3169 11.3169 11.3169 12.3705 12.3705 12.3705 12.3705 13.3084 13.3084 k =-0.5000 0.3108 0.5204 ( 4416 PWs) bands (ev): -13.2823 -13.2823 -13.2727 -13.2727 -10.7893 -10.7893 -10.6771 -10.6771 -9.1139 -9.1139 -9.1089 -9.1089 -3.0052 -3.0052 -3.0008 -3.0008 -1.9380 -1.9380 -1.8571 -1.8571 0.4192 0.4192 0.6010 0.6010 0.7450 0.7450 0.7508 0.7508 1.3724 1.3724 1.4168 1.4168 2.4279 2.4279 2.4327 2.4327 3.0892 3.0892 3.1222 3.1222 3.8485 3.8485 3.8983 3.8983 4.5721 4.5721 4.5750 4.5750 11.3138 11.3138 11.3286 11.3286 12.3661 12.3661 12.3706 12.3706 13.2677 13.2677 k =-0.5000 0.3108 0.5041 ( 4408 PWs) bands (ev): -13.2872 -13.2872 -13.2680 -13.2680 -10.8436 -10.8436 -10.6196 -10.6196 -9.1167 -9.1167 -9.1066 -9.1066 -3.0029 -3.0029 -2.9942 -2.9942 -1.9825 -1.9825 -1.8206 -1.8206 0.3283 0.3283 0.6886 0.6886 0.7387 0.7387 0.7505 0.7505 1.3575 1.3575 1.4434 1.4434 2.4218 2.4218 2.4317 2.4317 3.0693 3.0693 3.1355 3.1355 3.8249 3.8249 3.9242 3.9242 4.5720 4.5720 4.5776 4.5776 11.3193 11.3193 11.3491 11.3491 12.3572 12.3572 12.3669 12.3669 13.2261 13.2261 k =-0.5000 0.3108 0.4879 ( 4404 PWs) bands (ev): -13.2921 -13.2921 -13.2634 -13.2634 -10.8968 -10.8968 -10.5611 -10.5611 -9.1197 -9.1197 -9.1046 -9.1046 -2.9975 -2.9975 -2.9845 -2.9845 -2.0299 -2.0299 -1.7864 -1.7864 0.2391 0.2391 0.7300 0.7300 0.7480 0.7480 0.7704 0.7704 1.3507 1.3507 1.4718 1.4718 2.4133 2.4133 2.4286 2.4286 3.0472 3.0472 3.1467 3.1467 3.8023 3.8023 3.9504 3.9504 4.5727 4.5727 4.5809 4.5809 11.3330 11.3330 11.3782 11.3782 12.3436 12.3436 12.3597 12.3597 13.1839 13.1839 k =-0.5000 0.3108 0.4716 ( 4412 PWs) bands (ev): -13.2971 -13.2971 -13.2588 -13.2588 -10.9487 -10.9487 -10.5018 -10.5018 -9.1228 -9.1228 -9.1028 -9.1028 -2.9892 -2.9892 -2.9719 -2.9719 -2.0802 -2.0802 -1.7546 -1.7546 0.1521 0.1521 0.7188 0.7188 0.7435 0.7435 0.8417 0.8417 1.3559 1.3559 1.5015 1.5015 2.4022 2.4022 2.4236 2.4236 3.0232 3.0232 3.1562 3.1562 3.7807 3.7807 3.9768 3.9768 4.5743 4.5743 4.5848 4.5848 11.3547 11.3547 11.4161 11.4161 12.3256 12.3256 12.3497 12.3497 13.1415 13.1415 k =-0.5000 0.3108 0.4553 ( 4404 PWs) bands (ev): -13.3020 -13.3020 -13.2544 -13.2544 -10.9993 -10.9993 -10.4418 -10.4418 -9.1261 -9.1261 -9.1012 -9.1012 -2.9779 -2.9779 -2.9564 -2.9564 -2.1335 -2.1335 -1.7249 -1.7249 0.0680 0.0680 0.7048 0.7048 0.7370 0.7370 0.8976 0.8976 1.3781 1.3781 1.5322 1.5322 2.3886 2.3886 2.4168 2.4168 2.9976 2.9976 3.1642 3.1642 3.7602 3.7602 4.0030 4.0030 4.5769 4.5769 4.5893 4.5893 11.3840 11.3840 11.4624 11.4624 12.3036 12.3036 12.3374 12.3374 13.0995 13.0995 k =-0.5000 0.3108 0.4391 ( 4408 PWs) bands (ev): -13.3069 -13.3069 -13.2500 -13.2500 -11.0485 -11.0485 -10.3812 -10.3812 -9.1296 -9.1296 -9.0998 -9.0998 -2.9637 -2.9637 -2.9381 -2.9381 -2.1897 -2.1897 -1.6972 -1.6972 -0.0129 -0.0129 0.6881 0.6881 0.7283 0.7283 0.9345 0.9345 1.4203 1.4203 1.5636 1.5636 2.3724 2.3724 2.4086 2.4086 2.9708 2.9708 3.1708 3.1708 3.7407 3.7407 4.0289 4.0289 4.5806 4.5806 4.5944 4.5944 11.4203 11.4203 11.5171 11.5171 12.2779 12.2779 12.3234 12.3234 13.0584 13.0584 k =-0.5000 0.3108 0.4228 ( 4402 PWs) bands (ev): -13.3118 -13.3118 -13.2458 -13.2458 -11.0963 -11.0963 -10.3201 -10.3201 -9.1332 -9.1332 -9.0985 -9.0985 -2.9466 -2.9466 -2.9170 -2.9170 -2.2488 -2.2488 -1.6714 -1.6714 -0.0900 -0.0900 0.6683 0.6683 0.7174 0.7174 0.9530 0.9530 1.4815 1.4815 1.5955 1.5955 2.3537 2.3537 2.3993 2.3993 2.9432 2.9432 3.1764 3.1764 3.7220 3.7220 4.0543 4.0543 4.5853 4.5853 4.5999 4.5999 11.4632 11.4632 11.5799 11.5799 12.2491 12.2491 12.3082 12.3082 13.0185 13.0185 k =-0.5000 0.3108 0.4065 ( 4410 PWs) bands (ev): -13.3167 -13.3167 -13.2417 -13.2417 -11.1426 -11.1426 -10.2586 -10.2586 -9.1368 -9.1368 -9.0975 -9.0975 -2.9267 -2.9267 -2.8932 -2.8932 -2.3107 -2.3107 -1.6474 -1.6474 -0.1634 -0.1634 0.6455 0.6455 0.7043 0.7043 0.9574 0.9574 1.5572 1.5572 1.6277 1.6277 2.3327 2.3327 2.3891 2.3891 2.9153 2.9153 3.1811 3.1811 3.7041 3.7041 4.0789 4.0789 4.5911 4.5911 4.6059 4.6059 11.5119 11.5119 11.6504 11.6504 12.2180 12.2180 12.2922 12.2922 12.9807 12.9807 k =-0.5000 0.3108 0.3903 ( 4406 PWs) bands (ev): -13.3215 -13.3215 -13.2377 -13.2377 -11.1874 -11.1874 -10.1969 -10.1969 -9.1406 -9.1406 -9.0967 -9.0967 -2.9040 -2.9040 -2.8668 -2.8668 -2.3751 -2.3751 -1.6251 -1.6251 -0.2327 -0.2327 0.6193 0.6193 0.6888 0.6888 0.9524 0.9524 1.6412 1.6412 1.6611 1.6611 2.3093 2.3093 2.3784 2.3784 2.8875 2.8875 3.1851 3.1851 3.6869 3.6869 4.1026 4.1026 4.5979 4.5979 4.6123 4.6123 11.5656 11.5656 11.7284 11.7284 12.1850 12.1850 12.2758 12.2758 12.9454 12.9454 k =-0.5000 0.3108 0.3740 ( 4402 PWs) bands (ev): -13.3263 -13.3263 -13.2339 -13.2339 -11.2306 -11.2306 -10.1351 -10.1351 -9.1444 -9.1444 -9.0960 -9.0960 -2.8786 -2.8786 -2.8379 -2.8379 -2.4418 -2.4418 -1.6043 -1.6043 -0.2978 -0.2978 0.5899 0.5899 0.6708 0.6708 0.9417 0.9417 1.6910 1.6910 1.7340 1.7340 2.2840 2.2840 2.3675 2.3675 2.8604 2.8604 3.1885 3.1885 3.6702 3.6702 4.1253 4.1253 4.6060 4.6060 4.6190 4.6190 11.6233 11.6233 11.8135 11.8135 12.1508 12.1508 12.2593 12.2593 12.9136 12.9136 k =-0.5000 0.3108 0.3578 ( 4400 PWs) bands (ev): -13.3310 -13.3310 -13.2301 -13.2301 -11.2722 -11.2722 -10.0734 -10.0734 -9.1483 -9.1483 -9.0955 -9.0955 -2.8506 -2.8506 -2.8066 -2.8066 -2.5106 -2.5106 -1.5850 -1.5850 -0.3589 -0.3589 0.5570 0.5570 0.6504 0.6504 0.9275 0.9275 1.7233 1.7233 1.8268 1.8268 2.2569 2.2569 2.3568 2.3568 2.8342 2.8342 3.1914 3.1914 3.6541 3.6541 4.1469 4.1469 4.6152 4.6152 4.6259 4.6259 11.6839 11.6839 11.9051 11.9051 12.1158 12.1158 12.2432 12.2432 12.8859 12.8859 k =-0.5000 0.3108 0.3415 ( 4400 PWs) bands (ev): -13.3356 -13.3356 -13.2266 -13.2266 -11.3122 -11.3122 -10.0119 -10.0119 -9.1522 -9.1522 -9.0951 -9.0951 -2.8201 -2.8201 -2.7729 -2.7729 -2.5810 -2.5810 -1.5671 -1.5671 -0.4158 -0.4158 0.5208 0.5208 0.6272 0.6272 0.9115 0.9115 1.7550 1.7550 1.9207 1.9207 2.2285 2.2285 2.3465 2.3465 2.8091 2.8091 3.1938 3.1938 3.6384 3.6384 4.1672 4.1672 4.6255 4.6255 4.6331 4.6331 11.7459 11.7459 12.0029 12.0029 12.0806 12.0806 12.2276 12.2276 12.8636 12.8636 k =-0.5000 0.3108 0.3252 ( 4402 PWs) bands (ev): -13.3400 -13.3400 -13.2232 -13.2232 -11.3505 -11.3505 -9.9508 -9.9508 -9.1562 -9.1562 -9.0949 -9.0949 -2.7873 -2.7873 -2.7372 -2.7372 -2.6528 -2.6528 -1.5505 -1.5505 -0.4688 -0.4688 0.4812 0.4812 0.6014 0.6014 0.8944 0.8944 1.7862 1.7862 2.0142 2.0142 2.1992 2.1992 2.3370 2.3370 2.7855 2.7855 3.1960 3.1960 3.6230 3.6230 4.1863 4.1863 4.6369 4.6369 4.6404 4.6404 11.8077 11.8077 12.0454 12.0454 12.1064 12.1064 12.2129 12.2129 12.8477 12.8477 k =-0.5000 0.3108 0.3090 ( 4402 PWs) bands (ev): -13.3444 -13.3444 -13.2199 -13.2199 -11.3871 -11.3871 -9.8903 -9.8903 -9.1601 -9.1601 -9.0948 -9.0948 -2.7522 -2.7522 -2.7254 -2.7254 -2.6995 -2.6995 -1.5351 -1.5351 -0.5178 -0.5178 0.4383 0.4383 0.5728 0.5728 0.8770 0.8770 1.8168 1.8168 2.1062 2.1062 2.1694 2.1694 2.3285 2.3285 2.7633 2.7633 3.1978 3.1978 3.6080 3.6080 4.2041 4.2041 4.6474 4.6474 4.6500 4.6500 11.8676 11.8676 12.0109 12.0109 12.1989 12.1989 12.2152 12.2152 12.8397 12.8397 k =-0.5000 0.3108 0.2927 ( 4404 PWs) bands (ev): -13.3487 -13.3487 -13.2168 -13.2168 -11.4220 -11.4220 -9.8306 -9.8306 -9.1640 -9.1640 -9.0948 -9.0948 -2.7985 -2.7985 -2.7151 -2.7151 -2.6600 -2.6600 -1.5209 -1.5209 -0.5631 -0.5631 0.3924 0.3924 0.5414 0.5414 0.8596 0.8596 1.8466 1.8466 2.1395 2.1395 2.1962 2.1962 2.3210 2.3210 2.7426 2.7426 3.1993 3.1993 3.5933 3.5933 4.2206 4.2206 4.6550 4.6550 4.6636 4.6636 11.9232 11.9232 11.9772 11.9772 12.1867 12.1867 12.3277 12.3277 12.8412 12.8412 k =-0.5000 0.3108 0.2765 ( 4406 PWs) bands (ev): -13.3528 -13.3528 -13.2139 -13.2139 -11.4551 -11.4551 -9.7719 -9.7719 -9.1678 -9.1678 -9.0949 -9.0949 -2.8715 -2.8715 -2.6760 -2.6760 -2.6189 -2.6189 -1.5078 -1.5078 -0.6048 -0.6048 0.3438 0.3438 0.5074 0.5074 0.8424 0.8424 1.8757 1.8757 2.1102 2.1102 2.2832 2.2832 2.3148 2.3148 2.7235 2.7235 3.2005 3.2005 3.5790 3.5790 4.2357 4.2357 4.6624 4.6624 4.6783 4.6783 11.9434 11.9434 11.9738 11.9738 12.1757 12.1757 12.4442 12.4442 12.8535 12.8535 k =-0.5000 0.3108 0.2602 ( 4392 PWs) bands (ev): -13.3567 -13.3567 -13.2111 -13.2111 -11.4865 -11.4865 -9.7144 -9.7144 -9.1715 -9.1715 -9.0952 -9.0952 -2.9439 -2.9439 -2.6353 -2.6353 -2.5764 -2.5764 -1.4957 -1.4957 -0.6431 -0.6431 0.2926 0.2926 0.4708 0.4708 0.8258 0.8258 1.9038 1.9038 2.0818 2.0818 2.3099 2.3099 2.3669 2.3669 2.7058 2.7058 3.2014 3.2014 3.5651 3.5651 4.2496 4.2496 4.6697 4.6697 4.6941 4.6941 11.9120 11.9120 12.0156 12.0156 12.1662 12.1662 12.5636 12.5636 12.8775 12.8775 k =-0.5000 0.3108 0.2439 ( 4386 PWs) bands (ev): -13.3605 -13.3605 -13.2085 -13.2085 -11.5160 -11.5160 -9.6584 -9.6584 -9.1751 -9.1751 -9.0954 -9.0954 -3.0153 -3.0153 -2.5931 -2.5931 -2.5328 -2.5328 -1.4846 -1.4846 -0.6781 -0.6781 0.2392 0.2392 0.4318 0.4318 0.8098 0.8098 1.9308 1.9308 2.0547 2.0547 2.3063 2.3063 2.4469 2.4469 2.6895 2.6895 3.2020 3.2020 3.5516 3.5516 4.2622 4.2622 4.6769 4.6769 4.7107 4.7107 11.8817 11.8817 12.0491 12.0491 12.1585 12.1585 12.6847 12.6847 12.9136 12.9136 k =-0.5000 0.3108 0.2277 ( 4386 PWs) bands (ev): -13.3641 -13.3641 -13.2060 -13.2060 -11.5438 -11.5438 -9.6041 -9.6041 -9.1787 -9.1787 -9.0958 -9.0958 -3.0851 -3.0851 -2.5497 -2.5497 -2.4884 -2.4884 -1.4744 -1.4744 -0.7101 -0.7101 0.1842 0.1842 0.3908 0.3908 0.7946 0.7946 1.9567 1.9567 2.0291 2.0291 2.3040 2.3040 2.5227 2.5227 2.6746 2.6746 3.2024 3.2024 3.5386 3.5386 4.2736 4.2736 4.6838 4.6838 4.7281 4.7281 11.8529 11.8529 12.0741 12.0741 12.1525 12.1525 12.8063 12.8063 12.9610 12.9610 k =-0.5000 0.3108 0.2114 ( 4390 PWs) bands (ev): -13.3675 -13.3675 -13.2037 -13.2037 -11.5697 -11.5697 -9.5519 -9.5519 -9.1820 -9.1820 -9.0962 -9.0962 -3.1529 -3.1529 -2.5054 -2.5054 -2.4435 -2.4435 -1.4651 -1.4651 -0.7391 -0.7391 0.1280 0.1280 0.3481 0.3481 0.7802 0.7802 1.9813 1.9813 2.0053 2.0053 2.3028 2.3028 2.5940 2.5940 2.6609 2.6609 3.2025 3.2025 3.5262 3.5262 4.2838 4.2838 4.6906 4.6906 4.7461 4.7461 11.8257 11.8257 12.0913 12.0913 12.1485 12.1485 12.9266 12.9266 13.0178 13.0178 k =-0.5000 0.3108 0.1951 ( 4386 PWs) bands (ev): -13.3706 -13.3706 -13.2016 -13.2016 -11.5937 -11.5937 -9.5019 -9.5019 -9.1852 -9.1852 -9.0966 -9.0966 -3.2181 -3.2181 -2.4606 -2.4606 -2.3985 -2.3985 -1.4567 -1.4567 -0.7654 -0.7654 0.0710 0.0710 0.3041 0.3041 0.7667 0.7667 1.9832 1.9832 2.0048 2.0048 2.3026 2.3026 2.6482 2.6482 2.6608 2.6608 3.2024 3.2024 3.5143 3.5143 4.2929 4.2929 4.6970 4.6970 4.7644 4.7644 11.8002 11.8002 12.1022 12.1022 12.1463 12.1463 13.0430 13.0430 13.0820 13.0820 k =-0.5000 0.3108 0.1789 ( 4398 PWs) bands (ev): -13.3736 -13.3736 -13.1997 -13.1997 -11.6159 -11.6159 -9.4544 -9.4544 -9.1882 -9.1882 -9.0970 -9.0970 -3.2803 -3.2803 -2.4156 -2.4156 -2.3538 -2.3538 -1.4491 -1.4491 -0.7891 -0.7891 0.0141 0.0141 0.2594 0.2594 0.7542 0.7542 1.9634 1.9634 2.0265 2.0265 2.3034 2.3034 2.6371 2.6371 2.7223 2.7223 3.2020 3.2020 3.5031 3.5031 4.3010 4.3010 4.7031 4.7031 4.7828 4.7828 11.7765 11.7765 12.1082 12.1082 12.1462 12.1462 13.1499 13.1499 13.1527 13.1527 k =-0.5000 0.3108 0.1626 ( 4388 PWs) bands (ev): -13.3764 -13.3764 -13.1979 -13.1979 -11.6362 -11.6362 -9.4098 -9.4098 -9.1911 -9.1911 -9.0974 -9.0974 -3.3389 -3.3389 -2.3709 -2.3709 -2.3098 -2.3098 -1.4422 -1.4422 -0.8104 -0.8104 -0.0423 -0.0423 0.2146 0.2146 0.7426 0.7426 1.9455 1.9455 2.0468 2.0468 2.3049 2.3049 2.6269 2.6269 2.7788 2.7788 3.2014 3.2014 3.4926 3.4926 4.3081 4.3081 4.7089 4.7089 4.8012 4.8012 11.7547 11.7547 12.1106 12.1106 12.1480 12.1480 13.1651 13.1651 13.2221 13.2221 k =-0.5000 0.3108 0.1464 ( 4384 PWs) bands (ev): -13.3789 -13.3789 -13.1963 -13.1963 -11.6546 -11.6546 -9.3683 -9.3683 -9.1937 -9.1937 -9.0979 -9.0979 -3.3936 -3.3936 -2.3271 -2.3271 -2.2671 -2.2671 -1.4361 -1.4361 -0.8292 -0.8292 -0.0974 -0.0974 0.1704 0.1704 0.7321 0.7321 1.9297 1.9297 2.0654 2.0654 2.3070 2.3070 2.6178 2.6178 2.8301 2.8301 3.2007 3.2007 3.4828 3.4828 4.3142 4.3142 4.7142 4.7142 4.8191 4.8191 11.7348 11.7348 12.1106 12.1106 12.1518 12.1518 13.1060 13.1060 13.2210 13.2210 k =-0.5000 0.3108 0.1301 ( 4388 PWs) bands (ev): -13.3812 -13.3812 -13.1948 -13.1948 -11.6711 -11.6711 -9.3303 -9.3303 -9.1961 -9.1961 -9.0983 -9.0983 -3.4438 -3.4438 -2.2847 -2.2847 -2.2262 -2.2262 -1.4308 -1.4308 -0.8458 -0.8458 -0.1504 -0.1504 0.1276 0.1276 0.7226 0.7226 1.9159 1.9159 2.0823 2.0823 2.3095 2.3095 2.6097 2.6097 2.8759 2.8759 3.1999 3.1999 3.4740 3.4740 4.3195 4.3195 4.7191 4.7191 4.8363 4.8363 11.7170 11.7170 12.1091 12.1091 12.1573 12.1573 13.0488 13.0488 13.2070 13.2070 k =-0.5000 0.3108 0.1138 ( 4400 PWs) bands (ev): -13.3832 -13.3832 -13.1936 -13.1936 -11.6856 -11.6856 -9.2959 -9.2959 -9.1982 -9.1982 -9.0987 -9.0987 -3.4893 -3.4893 -2.2444 -2.2444 -2.1878 -2.1878 -1.4261 -1.4261 -0.8603 -0.8603 -0.2004 -0.2004 0.0870 0.0870 0.7142 0.7142 1.9039 1.9039 2.0974 2.0974 2.3122 2.3122 2.6027 2.6027 2.9164 2.9164 3.1990 3.1990 3.4660 3.4660 4.3240 4.3240 4.7234 4.7234 4.8524 4.8524 11.7011 11.7011 12.1067 12.1067 12.1643 12.1643 12.9945 12.9945 13.1936 13.1936 k =-0.5000 0.3108 0.0976 ( 4400 PWs) bands (ev): -13.3850 -13.3850 -13.1925 -13.1925 -11.6983 -11.6983 -9.2655 -9.2655 -9.2000 -9.2000 -9.0991 -9.0991 -3.5295 -3.5295 -2.2070 -2.2070 -2.1524 -2.1524 -1.4221 -1.4221 -0.8727 -0.8727 -0.2466 -0.2466 0.0493 0.0493 0.7069 0.7069 1.8938 1.8938 2.1106 2.1106 2.3150 2.3150 2.5966 2.5966 2.9514 2.9514 3.1981 3.1981 3.4589 3.4589 4.3278 4.3278 4.7273 4.7273 4.8672 4.8672 11.6874 11.6874 12.1040 12.1040 12.1725 12.1725 12.9441 12.9441 13.1812 13.1812 k =-0.5000 0.3108 0.0813 ( 4400 PWs) bands (ev): -13.3865 -13.3865 -13.1915 -13.1915 -11.7090 -11.7090 -9.2393 -9.2393 -9.2016 -9.2016 -9.0994 -9.0994 -3.5641 -3.5641 -2.1733 -2.1733 -2.1209 -2.1209 -1.4187 -1.4187 -0.8830 -0.8830 -0.2880 -0.2880 0.0155 0.0155 0.7007 0.7007 1.8854 1.8854 2.1219 2.1219 2.3176 2.3176 2.5914 2.5914 2.9810 2.9810 3.1972 3.1972 3.4529 3.4529 4.3309 4.3309 4.7306 4.7306 4.8803 4.8803 11.6757 11.6757 12.1013 12.1013 12.1815 12.1815 12.8987 12.8987 13.1702 13.1702 k =-0.5000 0.3108 0.0650 ( 4398 PWs) bands (ev): -13.3877 -13.3877 -13.1908 -13.1908 -11.7178 -11.7178 -9.2176 -9.2176 -9.2029 -9.2029 -9.0996 -9.0996 -3.5929 -3.5929 -2.1441 -2.1441 -2.0939 -2.0939 -1.4160 -1.4160 -0.8914 -0.8914 -0.3236 -0.3236 -0.0135 -0.0135 0.6957 0.6957 1.8787 1.8787 2.1313 2.1313 2.3200 2.3200 2.5873 2.5873 3.0052 3.0052 3.1964 3.1964 3.4479 3.4479 4.3334 4.3334 4.7334 4.7334 4.8915 4.8915 11.6661 11.6661 12.0988 12.0988 12.1906 12.1906 12.8591 12.8591 13.1607 13.1607 k =-0.5000 0.3108 0.0488 ( 4394 PWs) bands (ev): -13.3887 -13.3887 -13.1902 -13.1902 -11.7246 -11.7246 -9.2043 -9.2043 -9.2002 -9.2002 -9.0998 -9.0998 -3.6156 -3.6156 -2.1203 -2.1203 -2.0721 -2.0721 -1.4139 -1.4139 -0.8979 -0.8979 -0.3525 -0.3525 -0.0371 -0.0371 0.6917 0.6917 1.8736 1.8736 2.1386 2.1386 2.3219 2.3219 2.5840 2.5840 3.0240 3.0240 3.1958 3.1958 3.4440 3.4440 4.3352 4.3352 4.7355 4.7355 4.9004 4.9004 11.6586 11.6586 12.0967 12.0967 12.1991 12.1991 12.8266 12.8266 13.1531 13.1531 k =-0.5000 0.3108 0.0325 ( 4390 PWs) bands (ev): -13.3894 -13.3894 -13.1898 -13.1898 -11.7295 -11.7295 -9.2048 -9.2048 -9.1880 -9.1880 -9.1000 -9.1000 -3.6319 -3.6319 -2.1026 -2.1026 -2.0561 -2.0561 -1.4124 -1.4124 -0.9025 -0.9025 -0.3739 -0.3739 -0.0545 -0.0545 0.6889 0.6889 1.8700 1.8700 2.1438 2.1438 2.3234 2.3234 2.5817 2.5817 3.0374 3.0374 3.1953 3.1953 3.4411 3.4411 4.3365 4.3365 4.7371 4.7371 4.9070 4.9070 11.6533 11.6533 12.0952 12.0952 12.2060 12.2060 12.8023 12.8023 13.1476 13.1476 k =-0.5000 0.3108 0.0163 ( 4392 PWs) bands (ev): -13.3898 -13.3898 -13.1895 -13.1895 -11.7324 -11.7324 -9.2053 -9.2053 -9.1806 -9.1806 -9.1001 -9.1001 -3.6418 -3.6418 -2.0918 -2.0918 -2.0462 -2.0462 -1.4115 -1.4115 -0.9053 -0.9053 -0.3870 -0.3870 -0.0652 -0.0652 0.6872 0.6872 1.8678 1.8678 2.1469 2.1469 2.3244 2.3244 2.5803 2.5803 3.0454 3.0454 3.1950 3.1950 3.4394 3.4394 4.3373 4.3373 4.7380 4.7380 4.9110 4.9110 11.6501 11.6501 12.0942 12.0942 12.2106 12.2106 12.7873 12.7873 13.1442 13.1442 k =-0.5000 0.3108 0.0000 ( 4386 PWs) bands (ev): -13.3899 -13.3899 -13.1894 -13.1894 -11.7334 -11.7334 -9.2054 -9.2054 -9.1781 -9.1781 -9.1001 -9.1001 -3.6451 -3.6451 -2.0881 -2.0881 -2.0429 -2.0429 -1.4112 -1.4112 -0.9062 -0.9062 -0.3914 -0.3914 -0.0688 -0.0688 0.6866 0.6866 1.8671 1.8671 2.1480 2.1480 2.3247 2.3247 2.5799 2.5799 3.0481 3.0481 3.1948 3.1948 3.4389 3.4389 4.3376 4.3376 4.7383 4.7383 4.9124 4.9124 11.6490 11.6490 12.0939 12.0939 12.2122 12.2122 12.7822 12.7822 13.1430 13.1430 k = 0.0000 0.0000 0.5366 ( 4424 PWs) bands (ev): -13.4396 -13.4396 -13.4396 -13.4396 -10.2888 -10.2888 -10.2888 -10.2888 -9.1143 -9.1143 -9.1143 -9.1143 -4.2648 -4.2648 -4.2648 -4.2648 -0.6818 -0.6818 -0.6818 -0.6818 -0.2483 -0.2483 -0.2483 -0.2483 0.5924 0.5924 0.5924 0.5924 1.7334 1.7334 1.7334 1.7334 2.5717 2.5717 2.5717 2.5717 3.4370 3.4370 3.4370 3.4370 3.8225 3.8225 3.8225 3.8225 5.1457 5.1457 5.1457 5.1457 11.0261 11.0261 11.0261 11.0261 11.8467 11.8467 11.8467 11.8467 12.5528 12.5528 k =-0.0139 0.0086 0.5366 ( 4424 PWs) bands (ev): -13.4394 -13.4394 -13.4394 -13.4394 -10.2897 -10.2897 -10.2897 -10.2897 -9.1143 -9.1143 -9.1142 -9.1142 -4.2632 -4.2632 -4.2630 -4.2630 -0.6847 -0.6847 -0.6844 -0.6844 -0.2463 -0.2463 -0.2458 -0.2458 0.5934 0.5934 0.5936 0.5936 1.7314 1.7314 1.7316 1.7316 2.5728 2.5728 2.5729 2.5729 3.4364 3.4364 3.4367 3.4367 3.8210 3.8210 3.8212 3.8212 5.1453 5.1453 5.1454 5.1454 11.0259 11.0259 11.0261 11.0261 11.8486 11.8486 11.8492 11.8492 12.5532 12.5532 k =-0.0278 0.0173 0.5366 ( 4424 PWs) bands (ev): -13.4386 -13.4386 -13.4385 -13.4385 -10.2925 -10.2925 -10.2923 -10.2923 -9.1142 -9.1142 -9.1139 -9.1139 -4.2583 -4.2583 -4.2578 -4.2578 -0.6930 -0.6930 -0.6923 -0.6923 -0.2399 -0.2399 -0.2389 -0.2389 0.5965 0.5965 0.5968 0.5968 1.7256 1.7256 1.7260 1.7260 2.5761 2.5761 2.5764 2.5764 3.4350 3.4350 3.4357 3.4357 3.8168 3.8168 3.8172 3.8172 5.1441 5.1441 5.1443 5.1443 11.0255 11.0255 11.0260 11.0260 11.8548 11.8548 11.8561 11.8561 12.5546 12.5546 k =-0.0417 0.0259 0.5366 ( 4420 PWs) bands (ev): -13.4372 -13.4372 -13.4371 -13.4371 -10.2969 -10.2969 -10.2968 -10.2968 -9.1140 -9.1140 -9.1136 -9.1136 -4.2500 -4.2500 -4.2492 -4.2492 -0.7063 -0.7063 -0.7052 -0.7052 -0.2295 -0.2295 -0.2281 -0.2281 0.6017 0.6017 0.6021 0.6021 1.7162 1.7162 1.7168 1.7168 2.5816 2.5816 2.5820 2.5820 3.4328 3.4328 3.4337 3.4337 3.8100 3.8100 3.8106 3.8106 5.1421 5.1421 5.1423 5.1423 11.0251 11.0251 11.0258 11.0258 11.8653 11.8653 11.8671 11.8671 12.5570 12.5570 k =-0.0556 0.0345 0.5366 ( 4416 PWs) bands (ev): -13.4353 -13.4353 -13.4352 -13.4352 -10.3032 -10.3032 -10.3029 -10.3029 -9.1136 -9.1136 -9.1131 -9.1131 -4.2384 -4.2384 -4.2374 -4.2374 -0.7239 -0.7239 -0.7226 -0.7226 -0.2156 -0.2156 -0.2139 -0.2139 0.6089 0.6089 0.6094 0.6094 1.7033 1.7033 1.7041 1.7041 2.5890 2.5890 2.5895 2.5895 3.4298 3.4298 3.4310 3.4310 3.8009 3.8009 3.8017 3.8017 5.1391 5.1391 5.1395 5.1395 11.0249 11.0249 11.0257 11.0257 11.8796 11.8796 11.8822 11.8822 12.5604 12.5604 k =-0.0694 0.0432 0.5366 ( 4414 PWs) bands (ev): -13.4328 -13.4328 -13.4327 -13.4327 -10.3110 -10.3110 -10.3108 -10.3108 -9.1132 -9.1132 -9.1126 -9.1126 -4.2235 -4.2235 -4.2222 -4.2222 -0.7454 -0.7454 -0.7439 -0.7439 -0.1988 -0.1988 -0.1968 -0.1968 0.6180 0.6180 0.6187 0.6187 1.6871 1.6871 1.6881 1.6881 2.5980 2.5980 2.5987 2.5987 3.4259 3.4259 3.4274 3.4274 3.7897 3.7897 3.7906 3.7906 5.1352 5.1352 5.1356 5.1356 11.0249 11.0249 11.0259 11.0259 11.8976 11.8976 11.9008 11.9008 12.5646 12.5646 k =-0.0833 0.0518 0.5366 ( 4410 PWs) bands (ev): -13.4298 -13.4298 -13.4297 -13.4297 -10.3205 -10.3205 -10.3202 -10.3202 -9.1127 -9.1127 -9.1120 -9.1120 -4.2053 -4.2053 -4.2039 -4.2039 -0.7701 -0.7701 -0.7685 -0.7685 -0.1796 -0.1796 -0.1774 -0.1774 0.6291 0.6291 0.6300 0.6300 1.6679 1.6679 1.6690 1.6690 2.6082 2.6082 2.6090 2.6090 3.4211 3.4211 3.4230 3.4230 3.7768 3.7768 3.7779 3.7779 5.1301 5.1301 5.1305 5.1305 11.0255 11.0255 11.0266 11.0266 11.9189 11.9189 11.9226 11.9226 12.5698 12.5698 k =-0.0972 0.0604 0.5366 ( 4400 PWs) bands (ev): -13.4264 -13.4264 -13.4262 -13.4262 -10.3315 -10.3315 -10.3311 -10.3311 -9.1122 -9.1122 -9.1113 -9.1113 -4.1840 -4.1840 -4.1823 -4.1823 -0.7977 -0.7977 -0.7960 -0.7960 -0.1584 -0.1584 -0.1560 -0.1560 0.6421 0.6421 0.6430 0.6430 1.6459 1.6459 1.6472 1.6472 2.6193 2.6193 2.6203 2.6203 3.4156 3.4156 3.4178 3.4178 3.7627 3.7627 3.7639 3.7639 5.1237 5.1237 5.1241 5.1241 11.0269 11.0269 11.0281 11.0281 11.9429 11.9429 11.9473 11.9473 12.5760 12.5760 k =-0.1111 0.0691 0.5366 ( 4392 PWs) bands (ev): -13.4224 -13.4224 -13.4222 -13.4222 -10.3438 -10.3438 -10.3434 -10.3434 -9.1116 -9.1116 -9.1107 -9.1107 -4.1596 -4.1596 -4.1577 -4.1577 -0.8277 -0.8277 -0.8259 -0.8259 -0.1355 -0.1355 -0.1330 -0.1330 0.6568 0.6568 0.6579 0.6579 1.6213 1.6213 1.6229 1.6229 2.6309 2.6309 2.6319 2.6319 3.4091 3.4091 3.4116 3.4116 3.7477 3.7477 3.7491 3.7491 5.1158 5.1158 5.1163 5.1163 11.0292 11.0292 11.0305 11.0305 11.9693 11.9693 11.9743 11.9743 12.5830 12.5830 k =-0.1250 0.0777 0.5366 ( 4390 PWs) bands (ev): -13.4180 -13.4180 -13.4178 -13.4178 -10.3575 -10.3575 -10.3571 -10.3571 -9.1110 -9.1110 -9.1100 -9.1100 -4.1322 -4.1322 -4.1301 -4.1301 -0.8599 -0.8599 -0.8581 -0.8581 -0.1113 -0.1113 -0.1087 -0.1087 0.6733 0.6733 0.6744 0.6744 1.5946 1.5946 1.5962 1.5962 2.6424 2.6424 2.6437 2.6437 3.4018 3.4018 3.4047 3.4047 3.7325 3.7325 3.7340 3.7340 5.1065 5.1065 5.1069 5.1069 11.0326 11.0326 11.0340 11.0340 11.9975 11.9975 12.0031 12.0031 12.5911 12.5911 k =-0.1389 0.0863 0.5366 ( 4388 PWs) bands (ev): -13.4132 -13.4132 -13.4129 -13.4129 -10.3723 -10.3723 -10.3719 -10.3719 -9.1104 -9.1104 -9.1093 -9.1093 -4.1019 -4.1019 -4.0997 -4.0997 -0.8940 -0.8940 -0.8921 -0.8921 -0.0860 -0.0860 -0.0833 -0.0833 0.6913 0.6913 0.6925 0.6925 1.5658 1.5658 1.5676 1.5676 2.6536 2.6536 2.6550 2.6550 3.3936 3.3936 3.3968 3.3968 3.7174 3.7174 3.7190 3.7190 5.0955 5.0955 5.0959 5.0959 11.0372 11.0372 11.0387 11.0387 12.0272 12.0272 12.0334 12.0334 12.6002 12.6002 k =-0.1528 0.0950 0.5366 ( 4386 PWs) bands (ev): -13.4079 -13.4079 -13.4076 -13.4076 -10.3882 -10.3882 -10.3877 -10.3877 -9.1099 -9.1099 -9.1087 -9.1087 -4.0688 -4.0688 -4.0664 -4.0664 -0.9298 -0.9298 -0.9279 -0.9279 -0.0598 -0.0598 -0.0570 -0.0570 0.7108 0.7108 0.7121 0.7121 1.5352 1.5352 1.5372 1.5372 2.6640 2.6640 2.6655 2.6655 3.3845 3.3845 3.3880 3.3880 3.7031 3.7031 3.7048 3.7048 5.0827 5.0827 5.0831 5.0831 11.0432 11.0432 11.0447 11.0447 12.0577 12.0577 12.0646 12.0646 12.6105 12.6105 k =-0.1667 0.1036 0.5366 ( 4378 PWs) bands (ev): -13.4023 -13.4023 -13.4020 -13.4020 -10.4050 -10.4050 -10.4045 -10.4045 -9.1094 -9.1094 -9.1081 -9.1081 -4.0331 -4.0331 -4.0304 -4.0304 -0.9671 -0.9671 -0.9652 -0.9652 -0.0328 -0.0328 -0.0300 -0.0300 0.7318 0.7318 0.7332 0.7332 1.5032 1.5032 1.5053 1.5053 2.6732 2.6732 2.6748 2.6748 3.3745 3.3745 3.3784 3.3784 3.6900 3.6900 3.6918 3.6918 5.0683 5.0683 5.0686 5.0686 11.0505 11.0505 11.0520 11.0520 12.0887 12.0887 12.0961 12.0961 12.6222 12.6222 k =-0.1806 0.1122 0.5366 ( 4382 PWs) bands (ev): -13.3963 -13.3963 -13.3960 -13.3960 -10.4225 -10.4225 -10.4220 -10.4220 -9.1089 -9.1089 -9.1076 -9.1076 -3.9948 -3.9948 -3.9920 -3.9920 -1.0059 -1.0059 -1.0040 -1.0040 -0.0053 -0.0053 -0.0024 -0.0024 0.7541 0.7541 0.7556 0.7556 1.4699 1.4699 1.4721 1.4721 2.6807 2.6807 2.6824 2.6824 3.3637 3.3637 3.3679 3.3679 3.6787 3.6787 3.6805 3.6805 5.0520 5.0520 5.0523 5.0523 11.0591 11.0591 11.0607 11.0607 12.1194 12.1194 12.1274 12.1274 12.6356 12.6356 k =-0.1944 0.1209 0.5366 ( 4380 PWs) bands (ev): -13.3901 -13.3901 -13.3898 -13.3898 -10.4407 -10.4407 -10.4402 -10.4402 -9.1085 -9.1085 -9.1072 -9.1072 -3.9540 -3.9540 -3.9511 -3.9511 -1.0460 -1.0460 -1.0441 -1.0441 0.0227 0.0227 0.0256 0.0256 0.7777 0.7777 0.7792 0.7792 1.4356 1.4356 1.4380 1.4380 2.6863 2.6863 2.6882 2.6882 3.3521 3.3521 3.3565 3.3565 3.6695 3.6695 3.6713 3.6713 5.0340 5.0340 5.0343 5.0343 11.0690 11.0690 11.0707 11.0707 12.1494 12.1494 12.1580 12.1580 12.6510 12.6510 k =-0.2083 0.1295 0.5366 ( 4380 PWs) bands (ev): -13.3836 -13.3836 -13.3832 -13.3832 -10.4594 -10.4594 -10.4588 -10.4588 -9.1082 -9.1082 -9.1069 -9.1069 -3.9110 -3.9110 -3.9080 -3.9080 -1.0873 -1.0873 -1.0854 -1.0854 0.0510 0.0510 0.0539 0.0539 0.8023 0.8023 0.8039 0.8039 1.4005 1.4005 1.4031 1.4031 2.6896 2.6896 2.6916 2.6916 3.3397 3.3397 3.3442 3.3442 3.6627 3.6627 3.6645 3.6645 5.0144 5.0144 5.0147 5.0147 11.0802 11.0802 11.0818 11.0818 12.1781 12.1781 12.1873 12.1873 12.6688 12.6688 k =-0.2222 0.1381 0.5366 ( 4376 PWs) bands (ev): -13.3768 -13.3768 -13.3765 -13.3765 -10.4784 -10.4784 -10.4778 -10.4778 -9.1079 -9.1079 -9.1066 -9.1066 -3.8660 -3.8660 -3.8628 -3.8628 -1.1298 -1.1298 -1.1279 -1.1279 0.0794 0.0794 0.0824 0.0824 0.8279 0.8279 0.8296 0.8296 1.3650 1.3650 1.3678 1.3678 2.6905 2.6905 2.6926 2.6926 3.3265 3.3265 3.3312 3.3312 3.6588 3.6588 3.6605 3.6605 4.9931 4.9931 4.9935 4.9935 11.0924 11.0924 11.0941 11.0941 12.2050 12.2050 12.2147 12.2147 12.6892 12.6892 k =-0.2361 0.1468 0.5366 ( 4380 PWs) bands (ev): -13.3700 -13.3700 -13.3696 -13.3696 -10.4976 -10.4976 -10.4971 -10.4971 -9.1077 -9.1077 -9.1065 -9.1065 -3.8189 -3.8189 -3.8157 -3.8157 -1.1733 -1.1733 -1.1713 -1.1713 0.1080 0.1080 0.1109 0.1109 0.8542 0.8542 0.8560 0.8560 1.3295 1.3295 1.3324 1.3324 2.6888 2.6888 2.6910 2.6910 3.3128 3.3128 3.3175 3.3175 3.6576 3.6576 3.6592 3.6592 4.9704 4.9704 4.9709 4.9709 11.1056 11.1056 11.1073 11.1073 12.2296 12.2296 12.2397 12.2397 12.7127 12.7127 k =-0.2500 0.1554 0.5366 ( 4380 PWs) bands (ev): -13.3630 -13.3630 -13.3626 -13.3626 -10.5169 -10.5169 -10.5163 -10.5163 -9.1077 -9.1077 -9.1064 -9.1064 -3.7702 -3.7702 -3.7669 -3.7669 -1.2177 -1.2177 -1.2158 -1.2158 0.1364 0.1364 0.1394 0.1394 0.8809 0.8809 0.8828 0.8828 1.2943 1.2943 1.2974 1.2974 2.6845 2.6845 2.6867 2.6867 3.2985 3.2985 3.3033 3.3033 3.6594 3.6594 3.6609 3.6609 4.9463 4.9463 4.9470 4.9470 11.1196 11.1196 11.1214 11.1214 12.2517 12.2517 12.2622 12.2622 12.7394 12.7394 k =-0.2639 0.1640 0.5366 ( 4392 PWs) bands (ev): -13.3559 -13.3559 -13.3556 -13.3556 -10.5361 -10.5361 -10.5356 -10.5356 -9.1077 -9.1077 -9.1064 -9.1064 -3.7199 -3.7199 -3.7166 -3.7166 -1.2630 -1.2630 -1.2611 -1.2611 0.1647 0.1647 0.1676 0.1676 0.9074 0.9074 0.9095 0.9095 1.2602 1.2602 1.2635 1.2635 2.6775 2.6775 2.6798 2.6798 3.2838 3.2838 3.2885 3.2885 3.6640 3.6640 3.6654 3.6654 4.9211 4.9211 4.9219 4.9219 11.1343 11.1343 11.1361 11.1361 12.2711 12.2711 12.2817 12.2817 12.7694 12.7694 k =-0.2778 0.1727 0.5366 ( 4388 PWs) bands (ev): -13.3488 -13.3488 -13.3485 -13.3485 -10.5551 -10.5551 -10.5545 -10.5545 -9.1077 -9.1077 -9.1065 -9.1065 -3.6684 -3.6684 -3.6649 -3.6649 -1.3091 -1.3091 -1.3071 -1.3071 0.1926 0.1926 0.1955 0.1955 0.9328 0.9328 0.9351 0.9351 1.2281 1.2281 1.2316 1.2316 2.6679 2.6679 2.6702 2.6702 3.2688 3.2688 3.2735 3.2735 3.6713 3.6713 3.6726 3.6726 4.8951 4.8951 4.8959 4.8959 11.1494 11.1494 11.1512 11.1512 12.2877 12.2877 12.2985 12.2985 12.8025 12.8025 k =-0.2917 0.1813 0.5366 ( 4404 PWs) bands (ev): -13.3418 -13.3418 -13.3415 -13.3415 -10.5737 -10.5737 -10.5732 -10.5732 -9.1079 -9.1079 -9.1067 -9.1067 -3.6157 -3.6157 -3.6122 -3.6122 -1.3557 -1.3557 -1.3538 -1.3538 0.2201 0.2201 0.2231 0.2231 0.9556 0.9556 0.9582 0.9582 1.1996 1.1996 1.2034 1.2034 2.6560 2.6560 2.6583 2.6583 3.2536 3.2536 3.2582 3.2582 3.6811 3.6811 3.6823 3.6823 4.8682 4.8682 4.8692 4.8692 11.1648 11.1648 11.1667 11.1667 12.3018 12.3018 12.3126 12.3126 12.8384 12.8384 k =-0.3056 0.1899 0.5366 ( 4408 PWs) bands (ev): -13.3349 -13.3349 -13.3345 -13.3345 -10.5919 -10.5919 -10.5913 -10.5913 -9.1081 -9.1081 -9.1069 -9.1069 -3.5622 -3.5622 -3.5588 -3.5588 -1.4029 -1.4029 -1.4009 -1.4009 0.2472 0.2472 0.2501 0.2501 0.9730 0.9730 0.9759 0.9759 1.1777 1.1777 1.1817 1.1817 2.6420 2.6420 2.6443 2.6443 3.2384 3.2384 3.2428 3.2428 3.6929 3.6929 3.6941 3.6941 4.8409 4.8409 4.8420 4.8420 11.1803 11.1803 11.1822 11.1822 12.3136 12.3136 12.3242 12.3242 12.8767 12.8767 k =-0.3194 0.1986 0.5366 ( 4408 PWs) bands (ev): -13.3281 -13.3281 -13.3278 -13.3278 -10.6094 -10.6094 -10.6089 -10.6089 -9.1083 -9.1083 -9.1072 -9.1072 -3.5083 -3.5083 -3.5048 -3.5048 -1.4504 -1.4504 -1.4484 -1.4484 0.2736 0.2736 0.2765 0.2765 0.9810 0.9810 0.9841 0.9841 1.1664 1.1664 1.1703 1.1703 2.6261 2.6261 2.6283 2.6283 3.2234 3.2234 3.2276 3.2276 3.7066 3.7066 3.7078 3.7078 4.8134 4.8134 4.8146 4.8146 11.1957 11.1957 11.1976 11.1976 12.3234 12.3234 12.3337 12.3337 12.9168 12.9168 k =-0.3333 0.2072 0.5366 ( 4400 PWs) bands (ev): -13.3215 -13.3215 -13.3212 -13.3212 -10.6262 -10.6262 -10.6257 -10.6257 -9.1086 -9.1086 -9.1076 -9.1076 -3.4541 -3.4541 -3.4507 -3.4507 -1.4979 -1.4979 -1.4960 -1.4960 0.2994 0.2994 0.3023 0.3023 0.9767 0.9767 0.9796 0.9796 1.1688 1.1688 1.1722 1.1722 2.6086 2.6086 2.6108 2.6108 3.2086 3.2086 3.2126 3.2126 3.7218 3.7218 3.7229 3.7229 4.7859 4.7859 4.7872 4.7872 11.2109 11.2109 11.2128 11.2128 12.3315 12.3315 12.3415 12.3415 12.9581 12.9581 k =-0.3472 0.2158 0.5366 ( 4402 PWs) bands (ev): -13.3152 -13.3152 -13.3149 -13.3149 -10.6421 -10.6421 -10.6416 -10.6416 -9.1089 -9.1089 -9.1080 -9.1080 -3.4002 -3.4002 -3.3968 -3.3968 -1.5453 -1.5453 -1.5434 -1.5434 0.3245 0.3245 0.3273 0.3273 0.9615 0.9615 0.9642 0.9642 1.1831 1.1831 1.1860 1.1860 2.5900 2.5900 2.5920 2.5920 3.1943 3.1943 3.1981 3.1981 3.7380 3.7380 3.7392 3.7392 4.7587 4.7587 4.7600 4.7600 11.2256 11.2256 11.2275 11.2275 12.3382 12.3382 12.3478 12.3478 12.9999 12.9999 k =-0.3611 0.2245 0.5366 ( 4398 PWs) bands (ev): -13.3092 -13.3092 -13.3090 -13.3090 -10.6570 -10.6570 -10.6566 -10.6566 -9.1092 -9.1092 -9.1084 -9.1084 -3.3468 -3.3468 -3.3436 -3.3436 -1.5922 -1.5922 -1.5903 -1.5903 0.3488 0.3488 0.3516 0.3516 0.9395 0.9395 0.9420 0.9420 1.2049 1.2049 1.2073 1.2073 2.5704 2.5704 2.5724 2.5724 3.1806 3.1806 3.1841 3.1841 3.7550 3.7550 3.7561 3.7561 4.7320 4.7320 4.7334 4.7334 11.2397 11.2397 11.2416 11.2416 12.3439 12.3439 12.3530 12.3530 13.0416 13.0416 k =-0.3750 0.2331 0.5366 ( 4402 PWs) bands (ev): -13.3036 -13.3036 -13.3034 -13.3034 -10.6709 -10.6709 -10.6705 -10.6705 -9.1096 -9.1096 -9.1088 -9.1088 -3.2946 -3.2946 -3.2915 -3.2915 -1.6383 -1.6383 -1.6364 -1.6364 0.3723 0.3723 0.3750 0.3750 0.9143 0.9143 0.9167 0.9167 1.2304 1.2304 1.2324 1.2324 2.5505 2.5505 2.5523 2.5523 3.1676 3.1676 3.1708 3.1708 3.7722 3.7722 3.7734 3.7734 4.7063 4.7063 4.7077 4.7077 11.2530 11.2530 11.2549 11.2549 12.3487 12.3487 12.3572 12.3572 13.0825 13.0825 k =-0.3889 0.2417 0.5366 ( 4418 PWs) bands (ev): -13.2985 -13.2985 -13.2982 -13.2982 -10.6836 -10.6836 -10.6832 -10.6832 -9.1099 -9.1099 -9.1092 -9.1092 -3.2441 -3.2441 -3.2412 -3.2412 -1.6829 -1.6829 -1.6811 -1.6811 0.3949 0.3949 0.3975 0.3975 0.8880 0.8880 0.8903 0.8903 1.2573 1.2573 1.2590 1.2590 2.5305 2.5305 2.5321 2.5321 3.1556 3.1556 3.1585 3.1585 3.7894 3.7894 3.7905 3.7905 4.6817 4.6817 4.6831 4.6831 11.2654 11.2654 11.2672 11.2672 12.3528 12.3528 12.3607 12.3607 13.1219 13.1219 k =-0.4028 0.2504 0.5366 ( 4418 PWs) bands (ev): -13.2938 -13.2938 -13.2936 -13.2936 -10.6950 -10.6950 -10.6947 -10.6947 -9.1102 -9.1102 -9.1096 -9.1096 -3.1960 -3.1960 -3.1933 -3.1933 -1.7256 -1.7256 -1.7239 -1.7239 0.4164 0.4164 0.4190 0.4190 0.8618 0.8618 0.8641 0.8641 1.2840 1.2840 1.2855 1.2855 2.5110 2.5110 2.5125 2.5125 3.1446 3.1446 3.1471 3.1471 3.8060 3.8060 3.8071 3.8071 4.6588 4.6588 4.6601 4.6601 11.2768 11.2768 11.2784 11.2784 12.3565 12.3565 12.3636 12.3636 13.1591 13.1591 k =-0.4167 0.2590 0.5366 ( 4420 PWs) bands (ev): -13.2896 -13.2896 -13.2894 -13.2894 -10.7051 -10.7051 -10.7048 -10.7048 -9.1105 -9.1105 -9.1100 -9.1100 -3.1511 -3.1511 -3.1486 -3.1486 -1.7656 -1.7656 -1.7640 -1.7640 0.4368 0.4368 0.4393 0.4393 0.8367 0.8367 0.8389 0.8389 1.3095 1.3095 1.3107 1.3107 2.4924 2.4924 2.4937 2.4937 3.1348 3.1348 3.1370 3.1370 3.8217 3.8217 3.8227 3.8227 4.6378 4.6378 4.6390 4.6390 11.2869 11.2869 11.2884 11.2884 12.3596 12.3596 12.3659 12.3659 13.1934 13.1934 k =-0.4306 0.2676 0.5366 ( 4416 PWs) bands (ev): -13.2860 -13.2860 -13.2858 -13.2858 -10.7137 -10.7137 -10.7135 -10.7135 -9.1108 -9.1108 -9.1103 -9.1103 -3.1104 -3.1104 -3.1081 -3.1081 -1.8020 -1.8020 -1.8006 -1.8006 0.4558 0.4558 0.4581 0.4581 0.8133 0.8133 0.8153 0.8153 1.3328 1.3328 1.3339 1.3339 2.4754 2.4754 2.4765 2.4765 3.1263 3.1263 3.1282 3.1282 3.8360 3.8360 3.8369 3.8369 4.6191 4.6191 4.6202 4.6202 11.2957 11.2957 11.2970 11.2970 12.3624 12.3624 12.3678 12.3678 13.2243 13.2243 k =-0.4444 0.2763 0.5366 ( 4408 PWs) bands (ev): -13.2830 -13.2830 -13.2829 -13.2829 -10.7209 -10.7209 -10.7207 -10.7207 -9.1110 -9.1110 -9.1106 -9.1106 -3.0747 -3.0747 -3.0728 -3.0728 -1.8339 -1.8339 -1.8327 -1.8327 0.4731 0.4731 0.4751 0.4751 0.7923 0.7923 0.7941 0.7941 1.3532 1.3532 1.3540 1.3540 2.4604 2.4604 2.4614 2.4614 3.1193 3.1193 3.1208 3.1208 3.8485 3.8485 3.8493 3.8493 4.6031 4.6031 4.6040 4.6040 11.3031 11.3031 11.3042 11.3042 12.3648 12.3648 12.3692 12.3692 13.2511 13.2512 k =-0.4583 0.2849 0.5366 ( 4404 PWs) bands (ev): -13.2806 -13.2806 -13.2805 -13.2805 -10.7265 -10.7265 -10.7263 -10.7263 -9.1112 -9.1112 -9.1109 -9.1109 -3.0453 -3.0453 -3.0438 -3.0438 -1.8603 -1.8603 -1.8593 -1.8593 0.4880 0.4880 0.4897 0.4897 0.7744 0.7744 0.7759 0.7759 1.3699 1.3699 1.3706 1.3706 2.4481 2.4481 2.4488 2.4488 3.1137 3.1137 3.1149 3.1149 3.8588 3.8588 3.8594 3.8594 4.5902 4.5902 4.5909 4.5909 11.3090 11.3090 11.3098 11.3098 12.3669 12.3669 12.3702 12.3702 13.2735 13.2736 k =-0.4722 0.2935 0.5366 ( 4412 PWs) bands (ev): -13.2789 -13.2789 -13.2788 -13.2788 -10.7305 -10.7305 -10.7304 -10.7304 -9.1113 -9.1113 -9.1111 -9.1111 -3.0232 -3.0232 -3.0222 -3.0222 -1.8800 -1.8800 -1.8793 -1.8793 0.4998 0.4998 0.5010 0.5010 0.7606 0.7606 0.7617 0.7617 1.3824 1.3824 1.3828 1.3828 2.4389 2.4389 2.4394 2.4394 3.1098 3.1098 3.1105 3.1105 3.8665 3.8665 3.8669 3.8669 4.5808 4.5808 4.5813 4.5813 11.3133 11.3133 11.3138 11.3138 12.3685 12.3685 12.3708 12.3708 13.2910 13.2910 k =-0.4861 0.3022 0.5366 ( 4416 PWs) bands (ev): -13.2779 -13.2779 -13.2778 -13.2778 -10.7329 -10.7329 -10.7329 -10.7329 -9.1113 -9.1113 -9.1112 -9.1112 -3.0094 -3.0094 -3.0089 -3.0089 -1.8922 -1.8922 -1.8918 -1.8918 0.5076 0.5076 0.5082 0.5082 0.7518 0.7518 0.7524 0.7524 1.3901 1.3901 1.3903 1.3903 2.4333 2.4333 2.4335 2.4335 3.1075 3.1075 3.1078 3.1078 3.8713 3.8713 3.8715 3.8715 4.5750 4.5750 4.5753 4.5753 11.3159 11.3159 11.3162 11.3162 12.3697 12.3697 12.3709 12.3709 13.3030 13.3030 k =-0.5000 0.3108 0.5366 ( 4420 PWs) bands (ev): -13.2775 -13.2775 -13.2775 -13.2775 -10.7337 -10.7337 -10.7337 -10.7337 -9.1113 -9.1113 -9.1113 -9.1113 -3.0045 -3.0045 -3.0045 -3.0045 -1.8962 -1.8962 -1.8962 -1.8962 0.5105 0.5105 0.5105 0.5105 0.7490 0.7490 0.7490 0.7490 1.3928 1.3928 1.3928 1.3928 2.4315 2.4315 2.4315 2.4315 3.1068 3.1068 3.1068 3.1068 3.8730 3.8730 3.8730 3.8730 4.5732 4.5732 4.5732 4.5732 11.3169 11.3169 11.3169 11.3169 12.3705 12.3705 12.3705 12.3705 13.3084 13.3084 Writing output data file Si2N2O.save init_run : 3.23s CPU 13.41s WALL ( 1 calls) electrons : 1262.60s CPU 1273.84s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.33s CPU 1.51s WALL ( 1 calls) Called by electrons: c_bands : 1262.56s CPU 1273.57s WALL ( 1 calls) v_of_rho : 0.21s CPU 0.91s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.20s CPU 0.64s WALL ( 1 calls) newd : 0.59s CPU 0.73s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.12s WALL ( 374 calls) cegterg : 1195.50s CPU 1202.83s WALL ( 1216 calls) Called by sum_band: Called by *egterg: h_psi : 429.71s CPU 442.92s WALL ( 22916 calls) s_psi : 69.15s CPU 69.78s WALL ( 22916 calls) g_psi : 1.09s CPU 1.19s WALL ( 21326 calls) cdiaghg : 538.65s CPU 533.64s WALL ( 21700 calls) cegterg:over : 87.15s CPU 82.91s WALL ( 21326 calls) cegterg:upda : 22.43s CPU 28.84s WALL ( 21326 calls) cegterg:last : 17.80s CPU 18.74s WALL ( 2716 calls) Called by h_psi: h_psi:vloc : 287.97s CPU 298.50s WALL ( 22916 calls) h_psi:vnl : 141.12s CPU 143.00s WALL ( 22916 calls) add_vuspsi : 52.15s CPU 59.33s WALL ( 22916 calls) General routines calbec : 88.89s CPU 83.47s WALL ( 22916 calls) fft : 0.36s CPU 1.09s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 270.99s CPU 277.05s WALL ( 1815532 calls) interpolate : 0.03s CPU 0.04s WALL ( 4 calls) davcio : 0.03s CPU 2.24s WALL ( 748 calls) Parallel routines fft_scatter : 168.32s CPU 174.34s WALL ( 1815555 calls) PWSCF : 22m12.04s CPU 23m48.81s WALL This run was terminated on: 5:15:25 19Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=