Program PWSCF v.5.3.0 (svn rev. 11974) starts on 27Jan2017 at 19:17:55 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 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 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: ./Al6Fe.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 45 35 10 2463 1665 254 Max 46 36 11 2470 1683 260 Sum 1629 1269 363 88765 60303 9273 bravais-lattice index = 14 lattice parameter (alat) = 9.3276 a.u. unit-cell volume = 1431.6368 (a.u.)^3 number of atoms/cell = 14 number of atomic types = 2 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 238.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.327623 celldm(2)= 1.000000 celldm(3)= 1.780401 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.135066 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.135066 0.990837 0.000000 ) a(3) = ( 0.000000 0.000000 1.780401 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.136316 -0.000000 ) b(2) = ( 0.000000 1.009248 -0.000000 ) b(3) = ( 0.000000 0.000000 0.561671 ) PseudoPot. # 1 for Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Fe 8.00 55.84500 Fe( 1.00) Al 3.00 26.98150 Al( 1.00) 2 Sym. Ops., with inversion, found (note: 2 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 326 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030675 k( 2) = ( 0.0102442 0.0117354 -0.0000000), wk = 0.0030675 k( 3) = ( 0.0204885 0.0234709 -0.0000000), wk = 0.0030675 k( 4) = ( 0.0307328 0.0352063 -0.0000000), wk = 0.0030675 k( 5) = ( 0.0409770 0.0469418 -0.0000000), wk = 0.0030675 k( 6) = ( 0.0512213 0.0586772 -0.0000000), wk = 0.0030675 k( 7) = ( 0.0614655 0.0704127 -0.0000000), wk = 0.0030675 k( 8) = ( 0.0717098 0.0821481 -0.0000000), wk = 0.0030675 k( 9) = ( 0.0819540 0.0938836 -0.0000000), wk = 0.0030675 k( 10) = ( 0.0921983 0.1056190 -0.0000000), wk = 0.0030675 k( 11) = ( 0.1024425 0.1173544 -0.0000000), wk = 0.0030675 k( 12) = ( 0.1126868 0.1290899 -0.0000000), wk = 0.0030675 k( 13) = ( 0.1229310 0.1408253 -0.0000000), wk = 0.0030675 k( 14) = ( 0.1331753 0.1525608 -0.0000000), wk = 0.0030675 k( 15) = ( 0.1434195 0.1642962 -0.0000000), wk = 0.0030675 k( 16) = ( 0.1536638 0.1760317 -0.0000000), wk = 0.0030675 k( 17) = ( 0.1639080 0.1877671 -0.0000000), wk = 0.0030675 k( 18) = ( 0.1741523 0.1995026 -0.0000000), wk = 0.0030675 k( 19) = ( 0.1843965 0.2112380 -0.0000000), wk = 0.0030675 k( 20) = ( 0.1946408 0.2229734 -0.0000000), wk = 0.0030675 k( 21) = ( 0.2048850 0.2347089 -0.0000000), wk = 0.0030675 k( 22) = ( 0.2151293 0.2464443 -0.0000000), wk = 0.0030675 k( 23) = ( 0.2253736 0.2581798 -0.0000000), wk = 0.0030675 k( 24) = ( 0.2356178 0.2699152 -0.0000000), wk = 0.0030675 k( 25) = ( 0.2458620 0.2816507 -0.0000000), wk = 0.0030675 k( 26) = ( 0.2561063 0.2933861 -0.0000000), wk = 0.0030675 k( 27) = ( 0.2663506 0.3051216 -0.0000000), wk = 0.0030675 k( 28) = ( 0.2765948 0.3168570 -0.0000000), wk = 0.0030675 k( 29) = ( 0.2868391 0.3285924 -0.0000000), wk = 0.0030675 k( 30) = ( 0.2970833 0.3403279 -0.0000000), wk = 0.0030675 k( 31) = ( 0.3073276 0.3520633 -0.0000000), wk = 0.0030675 k( 32) = ( 0.3175718 0.3637988 -0.0000000), wk = 0.0030675 k( 33) = ( 0.3278161 0.3755342 -0.0000000), wk = 0.0030675 k( 34) = ( 0.3380603 0.3872697 -0.0000000), wk = 0.0030675 k( 35) = ( 0.3483046 0.3990051 -0.0000000), wk = 0.0030675 k( 36) = ( 0.3585488 0.4107405 -0.0000000), wk = 0.0030675 k( 37) = ( 0.3687931 0.4224760 -0.0000000), wk = 0.0030675 k( 38) = ( 0.3790373 0.4342114 -0.0000000), wk = 0.0030675 k( 39) = ( 0.3892816 0.4459469 -0.0000000), wk = 0.0030675 k( 40) = ( 0.3995258 0.4576823 -0.0000000), wk = 0.0030675 k( 41) = ( 0.4097701 0.4694178 -0.0000000), wk = 0.0030675 k( 42) = ( 0.4200143 0.4811532 -0.0000000), wk = 0.0030675 k( 43) = ( 0.4302586 0.4928887 -0.0000000), wk = 0.0030675 k( 44) = ( 0.4405029 0.5046241 -0.0000000), wk = 0.0030675 k( 45) = ( 0.4405029 0.5046241 -0.0000000), wk = 0.0030675 k( 46) = ( 0.4253131 0.5046241 -0.0000000), wk = 0.0030675 k( 47) = ( 0.4101233 0.5046241 -0.0000000), wk = 0.0030675 k( 48) = ( 0.3949336 0.5046241 -0.0000000), wk = 0.0030675 k( 49) = ( 0.3797438 0.5046241 -0.0000000), wk = 0.0030675 k( 50) = ( 0.3645541 0.5046241 -0.0000000), wk = 0.0030675 k( 51) = ( 0.3493643 0.5046241 -0.0000000), wk = 0.0030675 k( 52) = ( 0.3341746 0.5046241 -0.0000000), wk = 0.0030675 k( 53) = ( 0.3189848 0.5046241 -0.0000000), wk = 0.0030675 k( 54) = ( 0.3037951 0.5046241 -0.0000000), wk = 0.0030675 k( 55) = ( 0.2886053 0.5046241 -0.0000000), wk = 0.0030675 k( 56) = ( 0.2734156 0.5046241 -0.0000000), wk = 0.0030675 k( 57) = ( 0.2582258 0.5046241 -0.0000000), wk = 0.0030675 k( 58) = ( 0.2430361 0.5046241 -0.0000000), wk = 0.0030675 k( 59) = ( 0.2278463 0.5046241 -0.0000000), wk = 0.0030675 k( 60) = ( 0.2126565 0.5046241 -0.0000000), wk = 0.0030675 k( 61) = ( 0.1974668 0.5046241 -0.0000000), wk = 0.0030675 k( 62) = ( 0.1822770 0.5046241 -0.0000000), wk = 0.0030675 k( 63) = ( 0.1670873 0.5046241 -0.0000000), wk = 0.0030675 k( 64) = ( 0.1518975 0.5046241 -0.0000000), wk = 0.0030675 k( 65) = ( 0.1367078 0.5046241 -0.0000000), wk = 0.0030675 k( 66) = ( 0.1215180 0.5046241 -0.0000000), wk = 0.0030675 k( 67) = ( 0.1063283 0.5046241 -0.0000000), wk = 0.0030675 k( 68) = ( 0.0911385 0.5046241 -0.0000000), wk = 0.0030675 k( 69) = ( 0.0759488 0.5046241 -0.0000000), wk = 0.0030675 k( 70) = ( 0.0607590 0.5046241 -0.0000000), wk = 0.0030675 k( 71) = ( 0.0455693 0.5046241 -0.0000000), wk = 0.0030675 k( 72) = ( 0.0303795 0.5046241 -0.0000000), wk = 0.0030675 k( 73) = ( 0.0151898 0.5046241 -0.0000000), wk = 0.0030675 k( 74) = ( 0.0000000 0.5046241 -0.0000000), wk = 0.0030675 k( 75) = ( 0.0000000 0.5046241 -0.0000000), wk = 0.0030675 k( 76) = ( 0.0000000 0.5046241 0.0156020), wk = 0.0030675 k( 77) = ( 0.0000000 0.5046241 0.0312040), wk = 0.0030675 k( 78) = ( 0.0000000 0.5046241 0.0468059), wk = 0.0030675 k( 79) = ( 0.0000000 0.5046241 0.0624079), wk = 0.0030675 k( 80) = ( 0.0000000 0.5046241 0.0780099), wk = 0.0030675 k( 81) = ( 0.0000000 0.5046241 0.0936119), wk = 0.0030675 k( 82) = ( 0.0000000 0.5046241 0.1092138), wk = 0.0030675 k( 83) = ( 0.0000000 0.5046241 0.1248158), wk = 0.0030675 k( 84) = ( 0.0000000 0.5046241 0.1404178), wk = 0.0030675 k( 85) = ( 0.0000000 0.5046241 0.1560198), wk = 0.0030675 k( 86) = ( 0.0000000 0.5046241 0.1716217), wk = 0.0030675 k( 87) = ( 0.0000000 0.5046241 0.1872237), wk = 0.0030675 k( 88) = ( 0.0000000 0.5046241 0.2028257), wk = 0.0030675 k( 89) = ( 0.0000000 0.5046241 0.2184277), wk = 0.0030675 k( 90) = ( 0.0000000 0.5046241 0.2340296), wk = 0.0030675 k( 91) = ( 0.0000000 0.5046241 0.2496316), wk = 0.0030675 k( 92) = ( 0.0000000 0.5046241 0.2652336), wk = 0.0030675 k( 93) = ( 0.0000000 0.5046241 0.2808356), wk = 0.0030675 k( 94) = ( 0.0000000 0.5046241 0.2808356), wk = 0.0030675 k( 95) = ( 0.0151898 0.5046241 0.2808356), wk = 0.0030675 k( 96) = ( 0.0303795 0.5046241 0.2808356), wk = 0.0030675 k( 97) = ( 0.0455693 0.5046241 0.2808356), wk = 0.0030675 k( 98) = ( 0.0607590 0.5046241 0.2808356), wk = 0.0030675 k( 99) = ( 0.0759488 0.5046241 0.2808356), wk = 0.0030675 k( 100) = ( 0.0911385 0.5046241 0.2808356), wk = 0.0030675 k( 101) = ( 0.1063283 0.5046241 0.2808356), wk = 0.0030675 k( 102) = ( 0.1215180 0.5046241 0.2808356), wk = 0.0030675 k( 103) = ( 0.1367078 0.5046241 0.2808356), wk = 0.0030675 k( 104) = ( 0.1518975 0.5046241 0.2808356), wk = 0.0030675 k( 105) = ( 0.1670873 0.5046241 0.2808356), wk = 0.0030675 k( 106) = ( 0.1822770 0.5046241 0.2808356), wk = 0.0030675 k( 107) = ( 0.1974668 0.5046241 0.2808356), wk = 0.0030675 k( 108) = ( 0.2126565 0.5046241 0.2808356), wk = 0.0030675 k( 109) = ( 0.2278463 0.5046241 0.2808356), wk = 0.0030675 k( 110) = ( 0.2430361 0.5046241 0.2808356), wk = 0.0030675 k( 111) = ( 0.2582258 0.5046241 0.2808356), wk = 0.0030675 k( 112) = ( 0.2734156 0.5046241 0.2808356), wk = 0.0030675 k( 113) = ( 0.2886053 0.5046241 0.2808356), wk = 0.0030675 k( 114) = ( 0.3037951 0.5046241 0.2808356), wk = 0.0030675 k( 115) = ( 0.3189848 0.5046241 0.2808356), wk = 0.0030675 k( 116) = ( 0.3341746 0.5046241 0.2808356), wk = 0.0030675 k( 117) = ( 0.3493643 0.5046241 0.2808356), wk = 0.0030675 k( 118) = ( 0.3645541 0.5046241 0.2808356), wk = 0.0030675 k( 119) = ( 0.3797438 0.5046241 0.2808356), wk = 0.0030675 k( 120) = ( 0.3949336 0.5046241 0.2808356), wk = 0.0030675 k( 121) = ( 0.4101233 0.5046241 0.2808356), wk = 0.0030675 k( 122) = ( 0.4253131 0.5046241 0.2808356), wk = 0.0030675 k( 123) = ( 0.4405029 0.5046241 0.2808356), wk = 0.0030675 k( 124) = ( 0.4405029 0.5046241 0.2808356), wk = 0.0030675 k( 125) = ( 0.4302586 0.4928887 0.2808356), wk = 0.0030675 k( 126) = ( 0.4200143 0.4811532 0.2808356), wk = 0.0030675 k( 127) = ( 0.4097701 0.4694178 0.2808356), wk = 0.0030675 k( 128) = ( 0.3995258 0.4576823 0.2808356), wk = 0.0030675 k( 129) = ( 0.3892816 0.4459469 0.2808356), wk = 0.0030675 k( 130) = ( 0.3790373 0.4342114 0.2808356), wk = 0.0030675 k( 131) = ( 0.3687931 0.4224760 0.2808356), wk = 0.0030675 k( 132) = ( 0.3585488 0.4107405 0.2808356), wk = 0.0030675 k( 133) = ( 0.3483046 0.3990051 0.2808356), wk = 0.0030675 k( 134) = ( 0.3380603 0.3872697 0.2808356), wk = 0.0030675 k( 135) = ( 0.3278161 0.3755342 0.2808356), wk = 0.0030675 k( 136) = ( 0.3175718 0.3637988 0.2808356), wk = 0.0030675 k( 137) = ( 0.3073276 0.3520633 0.2808356), wk = 0.0030675 k( 138) = ( 0.2970833 0.3403279 0.2808356), wk = 0.0030675 k( 139) = ( 0.2868391 0.3285924 0.2808356), wk = 0.0030675 k( 140) = ( 0.2765948 0.3168570 0.2808356), wk = 0.0030675 k( 141) = ( 0.2663506 0.3051216 0.2808356), wk = 0.0030675 k( 142) = ( 0.2561063 0.2933861 0.2808356), wk = 0.0030675 k( 143) = ( 0.2458620 0.2816507 0.2808356), wk = 0.0030675 k( 144) = ( 0.2356178 0.2699152 0.2808356), wk = 0.0030675 k( 145) = ( 0.2253736 0.2581798 0.2808356), wk = 0.0030675 k( 146) = ( 0.2151293 0.2464443 0.2808356), wk = 0.0030675 k( 147) = ( 0.2048850 0.2347089 0.2808356), wk = 0.0030675 k( 148) = ( 0.1946408 0.2229734 0.2808356), wk = 0.0030675 k( 149) = ( 0.1843965 0.2112380 0.2808356), wk = 0.0030675 k( 150) = ( 0.1741523 0.1995026 0.2808356), wk = 0.0030675 k( 151) = ( 0.1639080 0.1877671 0.2808356), wk = 0.0030675 k( 152) = ( 0.1536638 0.1760317 0.2808356), wk = 0.0030675 k( 153) = ( 0.1434195 0.1642962 0.2808356), wk = 0.0030675 k( 154) = ( 0.1331753 0.1525608 0.2808356), wk = 0.0030675 k( 155) = ( 0.1229310 0.1408253 0.2808356), wk = 0.0030675 k( 156) = ( 0.1126868 0.1290899 0.2808356), wk = 0.0030675 k( 157) = ( 0.1024425 0.1173544 0.2808356), wk = 0.0030675 k( 158) = ( 0.0921983 0.1056190 0.2808356), wk = 0.0030675 k( 159) = ( 0.0819540 0.0938836 0.2808356), wk = 0.0030675 k( 160) = ( 0.0717098 0.0821481 0.2808356), wk = 0.0030675 k( 161) = ( 0.0614655 0.0704127 0.2808356), wk = 0.0030675 k( 162) = ( 0.0512213 0.0586772 0.2808356), wk = 0.0030675 k( 163) = ( 0.0409770 0.0469418 0.2808356), wk = 0.0030675 k( 164) = ( 0.0307328 0.0352063 0.2808356), wk = 0.0030675 k( 165) = ( 0.0204885 0.0234709 0.2808356), wk = 0.0030675 k( 166) = ( 0.0102442 0.0117354 0.2808356), wk = 0.0030675 k( 167) = ( 0.0000000 0.0000000 0.2808356), wk = 0.0030675 k( 168) = ( 0.0000000 0.0000000 0.2808356), wk = 0.0030675 k( 169) = ( 0.0000000 0.0000000 0.2652336), wk = 0.0030675 k( 170) = ( 0.0000000 0.0000000 0.2496316), wk = 0.0030675 k( 171) = ( 0.0000000 0.0000000 0.2340296), wk = 0.0030675 k( 172) = ( 0.0000000 0.0000000 0.2184277), wk = 0.0030675 k( 173) = ( 0.0000000 0.0000000 0.2028257), wk = 0.0030675 k( 174) = ( 0.0000000 0.0000000 0.1872237), wk = 0.0030675 k( 175) = ( 0.0000000 0.0000000 0.1716217), wk = 0.0030675 k( 176) = ( 0.0000000 0.0000000 0.1560198), wk = 0.0030675 k( 177) = ( 0.0000000 0.0000000 0.1404178), wk = 0.0030675 k( 178) = ( 0.0000000 0.0000000 0.1248158), wk = 0.0030675 k( 179) = ( 0.0000000 0.0000000 0.1092138), wk = 0.0030675 k( 180) = ( 0.0000000 0.0000000 0.0936119), wk = 0.0030675 k( 181) = ( 0.0000000 0.0000000 0.0780099), wk = 0.0030675 k( 182) = ( 0.0000000 0.0000000 0.0624079), wk = 0.0030675 k( 183) = ( 0.0000000 0.0000000 0.0468059), wk = 0.0030675 k( 184) = ( 0.0000000 0.0000000 0.0312040), wk = 0.0030675 k( 185) = ( 0.0000000 0.0000000 0.0156020), wk = 0.0030675 k( 186) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030675 k( 187) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030675 k( 188) = ( -0.0116279 0.0101504 -0.0000000), wk = 0.0030675 k( 189) = ( -0.0232558 0.0203008 -0.0000000), wk = 0.0030675 k( 190) = ( -0.0348837 0.0304511 -0.0000000), wk = 0.0030675 k( 191) = ( -0.0465116 0.0406015 -0.0000000), wk = 0.0030675 k( 192) = ( -0.0581395 0.0507519 -0.0000000), wk = 0.0030675 k( 193) = ( -0.0697674 0.0609023 -0.0000000), wk = 0.0030675 k( 194) = ( -0.0813954 0.0710527 -0.0000000), wk = 0.0030675 k( 195) = ( -0.0930233 0.0812030 -0.0000000), wk = 0.0030675 k( 196) = ( -0.1046512 0.0913534 -0.0000000), wk = 0.0030675 k( 197) = ( -0.1162791 0.1015038 -0.0000000), wk = 0.0030675 k( 198) = ( -0.1279070 0.1116542 -0.0000000), wk = 0.0030675 k( 199) = ( -0.1395349 0.1218046 -0.0000000), wk = 0.0030675 k( 200) = ( -0.1511628 0.1319549 -0.0000000), wk = 0.0030675 k( 201) = ( -0.1627907 0.1421053 -0.0000000), wk = 0.0030675 k( 202) = ( -0.1744186 0.1522557 -0.0000000), wk = 0.0030675 k( 203) = ( -0.1860465 0.1624061 -0.0000000), wk = 0.0030675 k( 204) = ( -0.1976744 0.1725565 -0.0000000), wk = 0.0030675 k( 205) = ( -0.2093023 0.1827068 -0.0000000), wk = 0.0030675 k( 206) = ( -0.2209302 0.1928572 -0.0000000), wk = 0.0030675 k( 207) = ( -0.2325581 0.2030076 -0.0000000), wk = 0.0030675 k( 208) = ( -0.2441860 0.2131580 -0.0000000), wk = 0.0030675 k( 209) = ( -0.2558140 0.2233083 -0.0000000), wk = 0.0030675 k( 210) = ( -0.2674419 0.2334587 -0.0000000), wk = 0.0030675 k( 211) = ( -0.2790698 0.2436091 -0.0000000), wk = 0.0030675 k( 212) = ( -0.2906977 0.2537595 -0.0000000), wk = 0.0030675 k( 213) = ( -0.3023256 0.2639099 -0.0000000), wk = 0.0030675 k( 214) = ( -0.3139535 0.2740602 -0.0000000), wk = 0.0030675 k( 215) = ( -0.3255814 0.2842106 -0.0000000), wk = 0.0030675 k( 216) = ( -0.3372093 0.2943610 -0.0000000), wk = 0.0030675 k( 217) = ( -0.3488372 0.3045114 -0.0000000), wk = 0.0030675 k( 218) = ( -0.3604651 0.3146618 -0.0000000), wk = 0.0030675 k( 219) = ( -0.3720930 0.3248121 -0.0000000), wk = 0.0030675 k( 220) = ( -0.3837209 0.3349625 -0.0000000), wk = 0.0030675 k( 221) = ( -0.3953488 0.3451129 -0.0000000), wk = 0.0030675 k( 222) = ( -0.4069767 0.3552633 -0.0000000), wk = 0.0030675 k( 223) = ( -0.4186047 0.3654137 -0.0000000), wk = 0.0030675 k( 224) = ( -0.4302326 0.3755640 -0.0000000), wk = 0.0030675 k( 225) = ( -0.4418605 0.3857144 -0.0000000), wk = 0.0030675 k( 226) = ( -0.4534884 0.3958648 -0.0000000), wk = 0.0030675 k( 227) = ( -0.4651163 0.4060152 -0.0000000), wk = 0.0030675 k( 228) = ( -0.4767442 0.4161656 -0.0000000), wk = 0.0030675 k( 229) = ( -0.4883721 0.4263159 -0.0000000), wk = 0.0030675 k( 230) = ( -0.5000000 0.4364663 -0.0000000), wk = 0.0030675 k( 231) = ( -0.5000000 0.4364663 -0.0000000), wk = 0.0030675 k( 232) = ( -0.4900838 0.4478259 -0.0000000), wk = 0.0030675 k( 233) = ( -0.4801676 0.4591856 -0.0000000), wk = 0.0030675 k( 234) = ( -0.4702514 0.4705452 -0.0000000), wk = 0.0030675 k( 235) = ( -0.4603352 0.4819048 -0.0000000), wk = 0.0030675 k( 236) = ( -0.4504190 0.4932645 -0.0000000), wk = 0.0030675 k( 237) = ( -0.4405029 0.5046241 -0.0000000), wk = 0.0030675 k( 238) = ( -0.4405029 0.5046241 -0.0000000), wk = 0.0030675 k( 239) = ( -0.4405029 0.5046241 0.0156020), wk = 0.0030675 k( 240) = ( -0.4405029 0.5046241 0.0312040), wk = 0.0030675 k( 241) = ( -0.4405029 0.5046241 0.0468059), wk = 0.0030675 k( 242) = ( -0.4405029 0.5046241 0.0624079), wk = 0.0030675 k( 243) = ( -0.4405029 0.5046241 0.0780099), wk = 0.0030675 k( 244) = ( -0.4405029 0.5046241 0.0936119), wk = 0.0030675 k( 245) = ( -0.4405029 0.5046241 0.1092138), wk = 0.0030675 k( 246) = ( -0.4405029 0.5046241 0.1248158), wk = 0.0030675 k( 247) = ( -0.4405029 0.5046241 0.1404178), wk = 0.0030675 k( 248) = ( -0.4405029 0.5046241 0.1560198), wk = 0.0030675 k( 249) = ( -0.4405029 0.5046241 0.1716217), wk = 0.0030675 k( 250) = ( -0.4405029 0.5046241 0.1872237), wk = 0.0030675 k( 251) = ( -0.4405029 0.5046241 0.2028257), wk = 0.0030675 k( 252) = ( -0.4405029 0.5046241 0.2184277), wk = 0.0030675 k( 253) = ( -0.4405029 0.5046241 0.2340296), wk = 0.0030675 k( 254) = ( -0.4405029 0.5046241 0.2496316), wk = 0.0030675 k( 255) = ( -0.4405029 0.5046241 0.2652336), wk = 0.0030675 k( 256) = ( -0.4405029 0.5046241 0.2808356), wk = 0.0030675 k( 257) = ( -0.4405029 0.5046241 0.2808356), wk = 0.0030675 k( 258) = ( -0.4504190 0.4932645 0.2808356), wk = 0.0030675 k( 259) = ( -0.4603352 0.4819048 0.2808356), wk = 0.0030675 k( 260) = ( -0.4702514 0.4705452 0.2808356), wk = 0.0030675 k( 261) = ( -0.4801676 0.4591856 0.2808356), wk = 0.0030675 k( 262) = ( -0.4900838 0.4478259 0.2808356), wk = 0.0030675 k( 263) = ( -0.5000000 0.4364663 0.2808356), wk = 0.0030675 k( 264) = ( -0.5000000 0.4364663 0.2808356), wk = 0.0030675 k( 265) = ( -0.5000000 0.4364663 0.2652336), wk = 0.0030675 k( 266) = ( -0.5000000 0.4364663 0.2496316), wk = 0.0030675 k( 267) = ( -0.5000000 0.4364663 0.2340296), wk = 0.0030675 k( 268) = ( -0.5000000 0.4364663 0.2184277), wk = 0.0030675 k( 269) = ( -0.5000000 0.4364663 0.2028257), wk = 0.0030675 k( 270) = ( -0.5000000 0.4364663 0.1872237), wk = 0.0030675 k( 271) = ( -0.5000000 0.4364663 0.1716217), wk = 0.0030675 k( 272) = ( -0.5000000 0.4364663 0.1560198), wk = 0.0030675 k( 273) = ( -0.5000000 0.4364663 0.1404178), wk = 0.0030675 k( 274) = ( -0.5000000 0.4364663 0.1248158), wk = 0.0030675 k( 275) = ( -0.5000000 0.4364663 0.1092138), wk = 0.0030675 k( 276) = ( -0.5000000 0.4364663 0.0936119), wk = 0.0030675 k( 277) = ( -0.5000000 0.4364663 0.0780099), wk = 0.0030675 k( 278) = ( -0.5000000 0.4364663 0.0624079), wk = 0.0030675 k( 279) = ( -0.5000000 0.4364663 0.0468059), wk = 0.0030675 k( 280) = ( -0.5000000 0.4364663 0.0312040), wk = 0.0030675 k( 281) = ( -0.5000000 0.4364663 0.0156020), wk = 0.0030675 k( 282) = ( -0.5000000 0.4364663 -0.0000000), wk = 0.0030675 k( 283) = ( 0.0000000 0.0000000 0.2808356), wk = 0.0030675 k( 284) = ( -0.0116279 0.0101504 0.2808356), wk = 0.0030675 k( 285) = ( -0.0232558 0.0203008 0.2808356), wk = 0.0030675 k( 286) = ( -0.0348837 0.0304511 0.2808356), wk = 0.0030675 k( 287) = ( -0.0465116 0.0406015 0.2808356), wk = 0.0030675 k( 288) = ( -0.0581395 0.0507519 0.2808356), wk = 0.0030675 k( 289) = ( -0.0697674 0.0609023 0.2808356), wk = 0.0030675 k( 290) = ( -0.0813954 0.0710527 0.2808356), wk = 0.0030675 k( 291) = ( -0.0930233 0.0812030 0.2808356), wk = 0.0030675 k( 292) = ( -0.1046512 0.0913534 0.2808356), wk = 0.0030675 k( 293) = ( -0.1162791 0.1015038 0.2808356), wk = 0.0030675 k( 294) = ( -0.1279070 0.1116542 0.2808356), wk = 0.0030675 k( 295) = ( -0.1395349 0.1218046 0.2808356), wk = 0.0030675 k( 296) = ( -0.1511628 0.1319549 0.2808356), wk = 0.0030675 k( 297) = ( -0.1627907 0.1421053 0.2808356), wk = 0.0030675 k( 298) = ( -0.1744186 0.1522557 0.2808356), wk = 0.0030675 k( 299) = ( -0.1860465 0.1624061 0.2808356), wk = 0.0030675 k( 300) = ( -0.1976744 0.1725565 0.2808356), wk = 0.0030675 k( 301) = ( -0.2093023 0.1827068 0.2808356), wk = 0.0030675 k( 302) = ( -0.2209302 0.1928572 0.2808356), wk = 0.0030675 k( 303) = ( -0.2325581 0.2030076 0.2808356), wk = 0.0030675 k( 304) = ( -0.2441860 0.2131580 0.2808356), wk = 0.0030675 k( 305) = ( -0.2558140 0.2233083 0.2808356), wk = 0.0030675 k( 306) = ( -0.2674419 0.2334587 0.2808356), wk = 0.0030675 k( 307) = ( -0.2790698 0.2436091 0.2808356), wk = 0.0030675 k( 308) = ( -0.2906977 0.2537595 0.2808356), wk = 0.0030675 k( 309) = ( -0.3023256 0.2639099 0.2808356), wk = 0.0030675 k( 310) = ( -0.3139535 0.2740602 0.2808356), wk = 0.0030675 k( 311) = ( -0.3255814 0.2842106 0.2808356), wk = 0.0030675 k( 312) = ( -0.3372093 0.2943610 0.2808356), wk = 0.0030675 k( 313) = ( -0.3488372 0.3045114 0.2808356), wk = 0.0030675 k( 314) = ( -0.3604651 0.3146618 0.2808356), wk = 0.0030675 k( 315) = ( -0.3720930 0.3248121 0.2808356), wk = 0.0030675 k( 316) = ( -0.3837209 0.3349625 0.2808356), wk = 0.0030675 k( 317) = ( -0.3953488 0.3451129 0.2808356), wk = 0.0030675 k( 318) = ( -0.4069767 0.3552633 0.2808356), wk = 0.0030675 k( 319) = ( -0.4186047 0.3654137 0.2808356), wk = 0.0030675 k( 320) = ( -0.4302326 0.3755640 0.2808356), wk = 0.0030675 k( 321) = ( -0.4418605 0.3857144 0.2808356), wk = 0.0030675 k( 322) = ( -0.4534884 0.3958648 0.2808356), wk = 0.0030675 k( 323) = ( -0.4651163 0.4060152 0.2808356), wk = 0.0030675 k( 324) = ( -0.4767442 0.4161656 0.2808356), wk = 0.0030675 k( 325) = ( -0.4883721 0.4263159 0.2808356), wk = 0.0030675 k( 326) = ( -0.5000000 0.4364663 0.2808356), wk = 0.0030675 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030675 k( 2) = ( 0.0102442 0.0102442 0.0000000), wk = 0.0030675 k( 3) = ( 0.0204885 0.0204885 0.0000000), wk = 0.0030675 k( 4) = ( 0.0307328 0.0307328 -0.0000000), wk = 0.0030675 k( 5) = ( 0.0409770 0.0409770 -0.0000000), wk = 0.0030675 k( 6) = ( 0.0512213 0.0512213 -0.0000000), wk = 0.0030675 k( 7) = ( 0.0614655 0.0614655 -0.0000000), wk = 0.0030675 k( 8) = ( 0.0717098 0.0717098 -0.0000000), wk = 0.0030675 k( 9) = ( 0.0819540 0.0819540 -0.0000000), wk = 0.0030675 k( 10) = ( 0.0921983 0.0921983 -0.0000000), wk = 0.0030675 k( 11) = ( 0.1024425 0.1024425 -0.0000000), wk = 0.0030675 k( 12) = ( 0.1126868 0.1126868 0.0000000), wk = 0.0030675 k( 13) = ( 0.1229310 0.1229310 0.0000000), wk = 0.0030675 k( 14) = ( 0.1331753 0.1331753 -0.0000000), wk = 0.0030675 k( 15) = ( 0.1434195 0.1434195 0.0000000), wk = 0.0030675 k( 16) = ( 0.1536638 0.1536638 -0.0000000), wk = 0.0030675 k( 17) = ( 0.1639080 0.1639080 -0.0000000), wk = 0.0030675 k( 18) = ( 0.1741523 0.1741523 -0.0000000), wk = 0.0030675 k( 19) = ( 0.1843965 0.1843965 -0.0000000), wk = 0.0030675 k( 20) = ( 0.1946408 0.1946408 -0.0000000), wk = 0.0030675 k( 21) = ( 0.2048850 0.2048850 -0.0000000), wk = 0.0030675 k( 22) = ( 0.2151293 0.2151293 -0.0000000), wk = 0.0030675 k( 23) = ( 0.2253736 0.2253736 -0.0000000), wk = 0.0030675 k( 24) = ( 0.2356178 0.2356178 -0.0000000), wk = 0.0030675 k( 25) = ( 0.2458620 0.2458620 -0.0000000), wk = 0.0030675 k( 26) = ( 0.2561063 0.2561063 -0.0000000), wk = 0.0030675 k( 27) = ( 0.2663506 0.2663506 -0.0000000), wk = 0.0030675 k( 28) = ( 0.2765948 0.2765948 -0.0000000), wk = 0.0030675 k( 29) = ( 0.2868391 0.2868391 0.0000000), wk = 0.0030675 k( 30) = ( 0.2970833 0.2970833 -0.0000000), wk = 0.0030675 k( 31) = ( 0.3073276 0.3073276 0.0000000), wk = 0.0030675 k( 32) = ( 0.3175718 0.3175718 -0.0000000), wk = 0.0030675 k( 33) = ( 0.3278161 0.3278161 -0.0000000), wk = 0.0030675 k( 34) = ( 0.3380603 0.3380603 -0.0000000), wk = 0.0030675 k( 35) = ( 0.3483046 0.3483046 -0.0000000), wk = 0.0030675 k( 36) = ( 0.3585488 0.3585488 -0.0000000), wk = 0.0030675 k( 37) = ( 0.3687931 0.3687931 -0.0000000), wk = 0.0030675 k( 38) = ( 0.3790373 0.3790373 -0.0000000), wk = 0.0030675 k( 39) = ( 0.3892816 0.3892816 -0.0000000), wk = 0.0030675 k( 40) = ( 0.3995258 0.3995258 -0.0000000), wk = 0.0030675 k( 41) = ( 0.4097701 0.4097701 -0.0000000), wk = 0.0030675 k( 42) = ( 0.4200143 0.4200143 -0.0000000), wk = 0.0030675 k( 43) = ( 0.4302586 0.4302586 -0.0000000), wk = 0.0030675 k( 44) = ( 0.4405029 0.4405029 0.0000000), wk = 0.0030675 k( 45) = ( 0.4405029 0.4405029 0.0000000), wk = 0.0030675 k( 46) = ( 0.4253131 0.4425545 -0.0000000), wk = 0.0030675 k( 47) = ( 0.4101233 0.4446061 -0.0000000), wk = 0.0030675 k( 48) = ( 0.3949336 0.4466577 -0.0000000), wk = 0.0030675 k( 49) = ( 0.3797438 0.4487094 -0.0000000), wk = 0.0030675 k( 50) = ( 0.3645541 0.4507610 -0.0000000), wk = 0.0030675 k( 51) = ( 0.3493643 0.4528126 -0.0000000), wk = 0.0030675 k( 52) = ( 0.3341746 0.4548642 -0.0000000), wk = 0.0030675 k( 53) = ( 0.3189848 0.4569159 -0.0000000), wk = 0.0030675 k( 54) = ( 0.3037951 0.4589675 -0.0000000), wk = 0.0030675 k( 55) = ( 0.2886053 0.4610191 -0.0000000), wk = 0.0030675 k( 56) = ( 0.2734156 0.4630707 -0.0000000), wk = 0.0030675 k( 57) = ( 0.2582258 0.4651224 -0.0000000), wk = 0.0030675 k( 58) = ( 0.2430361 0.4671740 -0.0000000), wk = 0.0030675 k( 59) = ( 0.2278463 0.4692256 -0.0000000), wk = 0.0030675 k( 60) = ( 0.2126565 0.4712772 0.0000000), wk = 0.0030675 k( 61) = ( 0.1974668 0.4733289 -0.0000000), wk = 0.0030675 k( 62) = ( 0.1822770 0.4753805 -0.0000000), wk = 0.0030675 k( 63) = ( 0.1670873 0.4774321 -0.0000000), wk = 0.0030675 k( 64) = ( 0.1518975 0.4794837 -0.0000000), wk = 0.0030675 k( 65) = ( 0.1367078 0.4815354 -0.0000000), wk = 0.0030675 k( 66) = ( 0.1215180 0.4835870 -0.0000000), wk = 0.0030675 k( 67) = ( 0.1063283 0.4856386 0.0000000), wk = 0.0030675 k( 68) = ( 0.0911385 0.4876902 0.0000000), wk = 0.0030675 k( 69) = ( 0.0759488 0.4897419 0.0000000), wk = 0.0030675 k( 70) = ( 0.0607590 0.4917935 -0.0000000), wk = 0.0030675 k( 71) = ( 0.0455693 0.4938451 -0.0000000), wk = 0.0030675 k( 72) = ( 0.0303795 0.4958968 -0.0000000), wk = 0.0030675 k( 73) = ( 0.0151898 0.4979484 0.0000000), wk = 0.0030675 k( 74) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030675 k( 75) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030675 k( 76) = ( 0.0000000 0.5000000 0.0277778), wk = 0.0030675 k( 77) = ( 0.0000000 0.5000000 0.0555556), wk = 0.0030675 k( 78) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0030675 k( 79) = ( 0.0000000 0.5000000 0.1111111), wk = 0.0030675 k( 80) = ( 0.0000000 0.5000000 0.1388889), wk = 0.0030675 k( 81) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0030675 k( 82) = ( 0.0000000 0.5000000 0.1944444), wk = 0.0030675 k( 83) = ( 0.0000000 0.5000000 0.2222222), wk = 0.0030675 k( 84) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0030675 k( 85) = ( 0.0000000 0.5000000 0.2777778), wk = 0.0030675 k( 86) = ( 0.0000000 0.5000000 0.3055556), wk = 0.0030675 k( 87) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0030675 k( 88) = ( 0.0000000 0.5000000 0.3611111), wk = 0.0030675 k( 89) = ( 0.0000000 0.5000000 0.3888889), wk = 0.0030675 k( 90) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0030675 k( 91) = ( 0.0000000 0.5000000 0.4444444), wk = 0.0030675 k( 92) = ( 0.0000000 0.5000000 0.4722222), wk = 0.0030675 k( 93) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0030675 k( 94) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0030675 k( 95) = ( 0.0151898 0.4979484 0.5000000), wk = 0.0030675 k( 96) = ( 0.0303795 0.4958968 0.5000000), wk = 0.0030675 k( 97) = ( 0.0455693 0.4938451 0.5000000), wk = 0.0030675 k( 98) = ( 0.0607590 0.4917935 0.5000000), wk = 0.0030675 k( 99) = ( 0.0759488 0.4897419 0.5000000), wk = 0.0030675 k( 100) = ( 0.0911385 0.4876902 0.5000000), wk = 0.0030675 k( 101) = ( 0.1063283 0.4856386 0.5000000), wk = 0.0030675 k( 102) = ( 0.1215180 0.4835870 0.5000000), wk = 0.0030675 k( 103) = ( 0.1367078 0.4815354 0.5000000), wk = 0.0030675 k( 104) = ( 0.1518975 0.4794837 0.5000000), wk = 0.0030675 k( 105) = ( 0.1670873 0.4774321 0.5000000), wk = 0.0030675 k( 106) = ( 0.1822770 0.4753805 0.5000000), wk = 0.0030675 k( 107) = ( 0.1974668 0.4733289 0.5000000), wk = 0.0030675 k( 108) = ( 0.2126565 0.4712772 0.5000000), wk = 0.0030675 k( 109) = ( 0.2278463 0.4692256 0.5000000), wk = 0.0030675 k( 110) = ( 0.2430361 0.4671740 0.5000000), wk = 0.0030675 k( 111) = ( 0.2582258 0.4651224 0.5000000), wk = 0.0030675 k( 112) = ( 0.2734156 0.4630707 0.5000000), wk = 0.0030675 k( 113) = ( 0.2886053 0.4610191 0.5000000), wk = 0.0030675 k( 114) = ( 0.3037951 0.4589675 0.5000000), wk = 0.0030675 k( 115) = ( 0.3189848 0.4569159 0.5000000), wk = 0.0030675 k( 116) = ( 0.3341746 0.4548642 0.5000000), wk = 0.0030675 k( 117) = ( 0.3493643 0.4528126 0.5000000), wk = 0.0030675 k( 118) = ( 0.3645541 0.4507610 0.5000000), wk = 0.0030675 k( 119) = ( 0.3797438 0.4487094 0.5000000), wk = 0.0030675 k( 120) = ( 0.3949336 0.4466577 0.5000000), wk = 0.0030675 k( 121) = ( 0.4101233 0.4446061 0.5000000), wk = 0.0030675 k( 122) = ( 0.4253131 0.4425545 0.5000000), wk = 0.0030675 k( 123) = ( 0.4405029 0.4405029 0.5000000), wk = 0.0030675 k( 124) = ( 0.4405029 0.4405029 0.5000000), wk = 0.0030675 k( 125) = ( 0.4302586 0.4302586 0.5000000), wk = 0.0030675 k( 126) = ( 0.4200143 0.4200143 0.5000000), wk = 0.0030675 k( 127) = ( 0.4097701 0.4097701 0.5000000), wk = 0.0030675 k( 128) = ( 0.3995258 0.3995258 0.5000000), wk = 0.0030675 k( 129) = ( 0.3892816 0.3892816 0.5000000), wk = 0.0030675 k( 130) = ( 0.3790373 0.3790373 0.5000000), wk = 0.0030675 k( 131) = ( 0.3687931 0.3687931 0.5000000), wk = 0.0030675 k( 132) = ( 0.3585488 0.3585488 0.5000000), wk = 0.0030675 k( 133) = ( 0.3483046 0.3483046 0.5000000), wk = 0.0030675 k( 134) = ( 0.3380603 0.3380603 0.5000000), wk = 0.0030675 k( 135) = ( 0.3278161 0.3278161 0.5000000), wk = 0.0030675 k( 136) = ( 0.3175718 0.3175718 0.5000000), wk = 0.0030675 k( 137) = ( 0.3073276 0.3073276 0.5000000), wk = 0.0030675 k( 138) = ( 0.2970833 0.2970833 0.5000000), wk = 0.0030675 k( 139) = ( 0.2868391 0.2868391 0.5000000), wk = 0.0030675 k( 140) = ( 0.2765948 0.2765948 0.5000000), wk = 0.0030675 k( 141) = ( 0.2663506 0.2663506 0.5000000), wk = 0.0030675 k( 142) = ( 0.2561063 0.2561063 0.5000000), wk = 0.0030675 k( 143) = ( 0.2458620 0.2458620 0.5000000), wk = 0.0030675 k( 144) = ( 0.2356178 0.2356178 0.5000000), wk = 0.0030675 k( 145) = ( 0.2253736 0.2253736 0.5000000), wk = 0.0030675 k( 146) = ( 0.2151293 0.2151293 0.5000000), wk = 0.0030675 k( 147) = ( 0.2048850 0.2048850 0.5000000), wk = 0.0030675 k( 148) = ( 0.1946408 0.1946408 0.5000000), wk = 0.0030675 k( 149) = ( 0.1843965 0.1843965 0.5000000), wk = 0.0030675 k( 150) = ( 0.1741523 0.1741523 0.5000000), wk = 0.0030675 k( 151) = ( 0.1639080 0.1639080 0.5000000), wk = 0.0030675 k( 152) = ( 0.1536638 0.1536638 0.5000000), wk = 0.0030675 k( 153) = ( 0.1434195 0.1434195 0.5000000), wk = 0.0030675 k( 154) = ( 0.1331753 0.1331753 0.5000000), wk = 0.0030675 k( 155) = ( 0.1229310 0.1229310 0.5000000), wk = 0.0030675 k( 156) = ( 0.1126868 0.1126868 0.5000000), wk = 0.0030675 k( 157) = ( 0.1024425 0.1024425 0.5000000), wk = 0.0030675 k( 158) = ( 0.0921983 0.0921983 0.5000000), wk = 0.0030675 k( 159) = ( 0.0819540 0.0819540 0.5000000), wk = 0.0030675 k( 160) = ( 0.0717098 0.0717098 0.5000000), wk = 0.0030675 k( 161) = ( 0.0614655 0.0614655 0.5000000), wk = 0.0030675 k( 162) = ( 0.0512213 0.0512213 0.5000000), wk = 0.0030675 k( 163) = ( 0.0409770 0.0409770 0.5000000), wk = 0.0030675 k( 164) = ( 0.0307328 0.0307328 0.5000000), wk = 0.0030675 k( 165) = ( 0.0204885 0.0204885 0.5000000), wk = 0.0030675 k( 166) = ( 0.0102442 0.0102442 0.5000000), wk = 0.0030675 k( 167) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030675 k( 168) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030675 k( 169) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0030675 k( 170) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0030675 k( 171) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0030675 k( 172) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0030675 k( 173) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0030675 k( 174) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0030675 k( 175) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0030675 k( 176) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0030675 k( 177) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0030675 k( 178) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0030675 k( 179) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0030675 k( 180) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0030675 k( 181) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0030675 k( 182) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0030675 k( 183) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0030675 k( 184) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0030675 k( 185) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0030675 k( 186) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030675 k( 187) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030675 k( 188) = ( -0.0116279 0.0116279 0.0000000), wk = 0.0030675 k( 189) = ( -0.0232558 0.0232558 0.0000000), wk = 0.0030675 k( 190) = ( -0.0348837 0.0348837 -0.0000000), wk = 0.0030675 k( 191) = ( -0.0465116 0.0465116 0.0000000), wk = 0.0030675 k( 192) = ( -0.0581395 0.0581395 0.0000000), wk = 0.0030675 k( 193) = ( -0.0697674 0.0697674 -0.0000000), wk = 0.0030675 k( 194) = ( -0.0813954 0.0813954 -0.0000000), wk = 0.0030675 k( 195) = ( -0.0930233 0.0930233 0.0000000), wk = 0.0030675 k( 196) = ( -0.1046512 0.1046512 0.0000000), wk = 0.0030675 k( 197) = ( -0.1162791 0.1162791 0.0000000), wk = 0.0030675 k( 198) = ( -0.1279070 0.1279070 -0.0000000), wk = 0.0030675 k( 199) = ( -0.1395349 0.1395349 -0.0000000), wk = 0.0030675 k( 200) = ( -0.1511628 0.1511628 0.0000000), wk = 0.0030675 k( 201) = ( -0.1627907 0.1627907 -0.0000000), wk = 0.0030675 k( 202) = ( -0.1744186 0.1744186 0.0000000), wk = 0.0030675 k( 203) = ( -0.1860465 0.1860465 -0.0000000), wk = 0.0030675 k( 204) = ( -0.1976744 0.1976744 0.0000000), wk = 0.0030675 k( 205) = ( -0.2093023 0.2093023 0.0000000), wk = 0.0030675 k( 206) = ( -0.2209302 0.2209302 0.0000000), wk = 0.0030675 k( 207) = ( -0.2325581 0.2325581 0.0000000), wk = 0.0030675 k( 208) = ( -0.2441860 0.2441860 -0.0000000), wk = 0.0030675 k( 209) = ( -0.2558140 0.2558140 0.0000000), wk = 0.0030675 k( 210) = ( -0.2674419 0.2674419 -0.0000000), wk = 0.0030675 k( 211) = ( -0.2790698 0.2790698 0.0000000), wk = 0.0030675 k( 212) = ( -0.2906977 0.2906977 0.0000000), wk = 0.0030675 k( 213) = ( -0.3023256 0.3023256 0.0000000), wk = 0.0030675 k( 214) = ( -0.3139535 0.3139535 0.0000000), wk = 0.0030675 k( 215) = ( -0.3255814 0.3255814 -0.0000000), wk = 0.0030675 k( 216) = ( -0.3372093 0.3372093 -0.0000000), wk = 0.0030675 k( 217) = ( -0.3488372 0.3488372 0.0000000), wk = 0.0030675 k( 218) = ( -0.3604651 0.3604651 0.0000000), wk = 0.0030675 k( 219) = ( -0.3720930 0.3720930 -0.0000000), wk = 0.0030675 k( 220) = ( -0.3837209 0.3837209 0.0000000), wk = 0.0030675 k( 221) = ( -0.3953488 0.3953488 0.0000000), wk = 0.0030675 k( 222) = ( -0.4069767 0.4069767 0.0000000), wk = 0.0030675 k( 223) = ( -0.4186047 0.4186047 0.0000000), wk = 0.0030675 k( 224) = ( -0.4302326 0.4302326 0.0000000), wk = 0.0030675 k( 225) = ( -0.4418605 0.4418605 0.0000000), wk = 0.0030675 k( 226) = ( -0.4534884 0.4534884 0.0000000), wk = 0.0030675 k( 227) = ( -0.4651163 0.4651163 0.0000000), wk = 0.0030675 k( 228) = ( -0.4767442 0.4767442 -0.0000000), wk = 0.0030675 k( 229) = ( -0.4883721 0.4883721 0.0000000), wk = 0.0030675 k( 230) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0030675 k( 231) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0030675 k( 232) = ( -0.4900838 0.5099162 -0.0000000), wk = 0.0030675 k( 233) = ( -0.4801676 0.5198324 0.0000000), wk = 0.0030675 k( 234) = ( -0.4702514 0.5297486 0.0000000), wk = 0.0030675 k( 235) = ( -0.4603352 0.5396648 0.0000000), wk = 0.0030675 k( 236) = ( -0.4504190 0.5495810 0.0000000), wk = 0.0030675 k( 237) = ( -0.4405029 0.5594971 0.0000000), wk = 0.0030675 k( 238) = ( -0.4405029 0.5594971 0.0000000), wk = 0.0030675 k( 239) = ( -0.4405029 0.5594971 0.0277778), wk = 0.0030675 k( 240) = ( -0.4405029 0.5594971 0.0555556), wk = 0.0030675 k( 241) = ( -0.4405029 0.5594971 0.0833333), wk = 0.0030675 k( 242) = ( -0.4405029 0.5594971 0.1111111), wk = 0.0030675 k( 243) = ( -0.4405029 0.5594971 0.1388889), wk = 0.0030675 k( 244) = ( -0.4405029 0.5594971 0.1666667), wk = 0.0030675 k( 245) = ( -0.4405029 0.5594971 0.1944444), wk = 0.0030675 k( 246) = ( -0.4405029 0.5594971 0.2222222), wk = 0.0030675 k( 247) = ( -0.4405029 0.5594971 0.2500000), wk = 0.0030675 k( 248) = ( -0.4405029 0.5594971 0.2777778), wk = 0.0030675 k( 249) = ( -0.4405029 0.5594971 0.3055556), wk = 0.0030675 k( 250) = ( -0.4405029 0.5594971 0.3333333), wk = 0.0030675 k( 251) = ( -0.4405029 0.5594971 0.3611111), wk = 0.0030675 k( 252) = ( -0.4405029 0.5594971 0.3888889), wk = 0.0030675 k( 253) = ( -0.4405029 0.5594971 0.4166667), wk = 0.0030675 k( 254) = ( -0.4405029 0.5594971 0.4444444), wk = 0.0030675 k( 255) = ( -0.4405029 0.5594971 0.4722222), wk = 0.0030675 k( 256) = ( -0.4405029 0.5594971 0.5000000), wk = 0.0030675 k( 257) = ( -0.4405029 0.5594971 0.5000000), wk = 0.0030675 k( 258) = ( -0.4504190 0.5495810 0.5000000), wk = 0.0030675 k( 259) = ( -0.4603352 0.5396648 0.5000000), wk = 0.0030675 k( 260) = ( -0.4702514 0.5297486 0.5000000), wk = 0.0030675 k( 261) = ( -0.4801676 0.5198324 0.5000000), wk = 0.0030675 k( 262) = ( -0.4900838 0.5099162 0.5000000), wk = 0.0030675 k( 263) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0030675 k( 264) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0030675 k( 265) = ( -0.5000000 0.5000000 0.4722222), wk = 0.0030675 k( 266) = ( -0.5000000 0.5000000 0.4444444), wk = 0.0030675 k( 267) = ( -0.5000000 0.5000000 0.4166667), wk = 0.0030675 k( 268) = ( -0.5000000 0.5000000 0.3888889), wk = 0.0030675 k( 269) = ( -0.5000000 0.5000000 0.3611111), wk = 0.0030675 k( 270) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0030675 k( 271) = ( -0.5000000 0.5000000 0.3055556), wk = 0.0030675 k( 272) = ( -0.5000000 0.5000000 0.2777778), wk = 0.0030675 k( 273) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0030675 k( 274) = ( -0.5000000 0.5000000 0.2222222), wk = 0.0030675 k( 275) = ( -0.5000000 0.5000000 0.1944444), wk = 0.0030675 k( 276) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0030675 k( 277) = ( -0.5000000 0.5000000 0.1388889), wk = 0.0030675 k( 278) = ( -0.5000000 0.5000000 0.1111111), wk = 0.0030675 k( 279) = ( -0.5000000 0.5000000 0.0833333), wk = 0.0030675 k( 280) = ( -0.5000000 0.5000000 0.0555556), wk = 0.0030675 k( 281) = ( -0.5000000 0.5000000 0.0277778), wk = 0.0030675 k( 282) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0030675 k( 283) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030675 k( 284) = ( -0.0116279 0.0116279 0.5000000), wk = 0.0030675 k( 285) = ( -0.0232558 0.0232558 0.5000000), wk = 0.0030675 k( 286) = ( -0.0348837 0.0348837 0.5000000), wk = 0.0030675 k( 287) = ( -0.0465116 0.0465116 0.5000000), wk = 0.0030675 k( 288) = ( -0.0581395 0.0581395 0.5000000), wk = 0.0030675 k( 289) = ( -0.0697674 0.0697674 0.5000000), wk = 0.0030675 k( 290) = ( -0.0813954 0.0813954 0.5000000), wk = 0.0030675 k( 291) = ( -0.0930233 0.0930233 0.5000000), wk = 0.0030675 k( 292) = ( -0.1046512 0.1046512 0.5000000), wk = 0.0030675 k( 293) = ( -0.1162791 0.1162791 0.5000000), wk = 0.0030675 k( 294) = ( -0.1279070 0.1279070 0.5000000), wk = 0.0030675 k( 295) = ( -0.1395349 0.1395349 0.5000000), wk = 0.0030675 k( 296) = ( -0.1511628 0.1511628 0.5000000), wk = 0.0030675 k( 297) = ( -0.1627907 0.1627907 0.5000000), wk = 0.0030675 k( 298) = ( -0.1744186 0.1744186 0.5000000), wk = 0.0030675 k( 299) = ( -0.1860465 0.1860465 0.5000000), wk = 0.0030675 k( 300) = ( -0.1976744 0.1976744 0.5000000), wk = 0.0030675 k( 301) = ( -0.2093023 0.2093023 0.5000000), wk = 0.0030675 k( 302) = ( -0.2209302 0.2209302 0.5000000), wk = 0.0030675 k( 303) = ( -0.2325581 0.2325581 0.5000000), wk = 0.0030675 k( 304) = ( -0.2441860 0.2441860 0.5000000), wk = 0.0030675 k( 305) = ( -0.2558140 0.2558140 0.5000000), wk = 0.0030675 k( 306) = ( -0.2674419 0.2674419 0.5000000), wk = 0.0030675 k( 307) = ( -0.2790698 0.2790698 0.5000000), wk = 0.0030675 k( 308) = ( -0.2906977 0.2906977 0.5000000), wk = 0.0030675 k( 309) = ( -0.3023256 0.3023256 0.5000000), wk = 0.0030675 k( 310) = ( -0.3139535 0.3139535 0.5000000), wk = 0.0030675 k( 311) = ( -0.3255814 0.3255814 0.5000000), wk = 0.0030675 k( 312) = ( -0.3372093 0.3372093 0.5000000), wk = 0.0030675 k( 313) = ( -0.3488372 0.3488372 0.5000000), wk = 0.0030675 k( 314) = ( -0.3604651 0.3604651 0.5000000), wk = 0.0030675 k( 315) = ( -0.3720930 0.3720930 0.5000000), wk = 0.0030675 k( 316) = ( -0.3837209 0.3837209 0.5000000), wk = 0.0030675 k( 317) = ( -0.3953488 0.3953488 0.5000000), wk = 0.0030675 k( 318) = ( -0.4069767 0.4069767 0.5000000), wk = 0.0030675 k( 319) = ( -0.4186047 0.4186047 0.5000000), wk = 0.0030675 k( 320) = ( -0.4302326 0.4302326 0.5000000), wk = 0.0030675 k( 321) = ( -0.4418605 0.4418605 0.5000000), wk = 0.0030675 k( 322) = ( -0.4534884 0.4534884 0.5000000), wk = 0.0030675 k( 323) = ( -0.4651163 0.4651163 0.5000000), wk = 0.0030675 k( 324) = ( -0.4767442 0.4767442 0.5000000), wk = 0.0030675 k( 325) = ( -0.4883721 0.4883721 0.5000000), wk = 0.0030675 k( 326) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0030675 Dense grid: 88765 G-vectors FFT dimensions: ( 45, 45, 81) Smooth grid: 60303 G-vectors FFT dimensions: ( 45, 45, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.44 Mb ( 460, 62) NL pseudopotentials 1.67 Mb ( 230, 476) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.02 Mb ( 2467) G-vector shells 0.01 Mb ( 1237) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.74 Mb ( 460, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.90 Mb ( 476, 2, 62) The potential is recalculated from file : ./Al6Fe.save/charge-density.dat Starting wfc are 132 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.5 secs Computing kpt #: 2 total cpu time spent up to now is 4.6 secs Computing kpt #: 3 total cpu time spent up to now is 5.8 secs Computing kpt #: 4 total cpu time spent up to now is 7.1 secs Computing kpt #: 5 total cpu time spent up to now is 8.3 secs Computing kpt #: 6 total cpu time spent up to now is 9.5 secs Computing kpt #: 7 total cpu time spent up to now is 10.8 secs Computing kpt #: 8 total cpu time spent up to now is 12.1 secs Computing kpt #: 9 total cpu time spent up to now is 13.5 secs Computing kpt #: 10 total cpu time spent up to now is 14.8 secs Computing kpt #: 11 total cpu time spent up to now is 16.1 secs Computing kpt #: 12 total cpu time spent up to now is 17.2 secs Computing kpt #: 13 total cpu time spent up to now is 18.4 secs Computing kpt #: 14 total cpu time spent up to now is 19.6 secs Computing kpt #: 15 total cpu time spent up to now is 20.8 secs Computing kpt #: 16 total cpu time spent up to now is 21.9 secs Computing kpt #: 17 total cpu time spent up to now is 23.2 secs Computing kpt #: 18 total cpu time spent up to now is 24.5 secs Computing kpt #: 19 total cpu time spent up to now is 25.8 secs Computing kpt #: 20 total cpu time spent up to now is 27.0 secs Computing kpt #: 21 total cpu time spent up to now is 28.3 secs Computing kpt #: 22 total cpu time spent up to now is 29.7 secs Computing kpt #: 23 total cpu time spent up to now is 31.0 secs Computing kpt #: 24 total cpu time spent up to now is 32.3 secs Computing kpt #: 25 total cpu time spent up to now is 33.7 secs Computing kpt #: 26 total cpu time spent up to now is 35.1 secs Computing kpt #: 27 total cpu time spent up to now is 36.5 secs Computing kpt #: 28 total cpu time spent up to now is 37.6 secs Computing kpt #: 29 total cpu time spent up to now is 39.0 secs Computing kpt #: 30 total cpu time spent up to now is 40.3 secs Computing kpt #: 31 total cpu time spent up to now is 42.0 secs Computing kpt #: 32 total cpu time spent up to now is 44.1 secs Computing kpt #: 33 total cpu time spent up to now is 45.9 secs Computing kpt #: 34 total cpu time spent up to now is 47.7 secs Computing kpt #: 35 total cpu time spent up to now is 49.1 secs Computing kpt #: 36 total cpu time spent up to now is 51.3 secs Computing kpt #: 37 total cpu time spent up to now is 53.1 secs Computing kpt #: 38 total cpu time spent up to now is 54.4 secs Computing kpt #: 39 total cpu time spent up to now is 55.7 secs Computing kpt #: 40 total cpu time spent up to now is 57.0 secs Computing kpt #: 41 total cpu time spent up to now is 58.3 secs Computing kpt #: 42 total cpu time spent up to now is 59.6 secs Computing kpt #: 43 total cpu time spent up to now is 60.8 secs Computing kpt #: 44 total cpu time spent up to now is 62.0 secs Computing kpt #: 45 total cpu time spent up to now is 63.2 secs Computing kpt #: 46 total cpu time spent up to now is 64.4 secs Computing kpt #: 47 total cpu time spent up to now is 65.7 secs Computing kpt #: 48 total cpu time spent up to now is 67.0 secs Computing kpt #: 49 total cpu time spent up to now is 68.3 secs Computing kpt #: 50 total cpu time spent up to now is 69.9 secs Computing kpt #: 51 total cpu time spent up to now is 71.8 secs Computing kpt #: 52 total cpu time spent up to now is 74.1 secs Computing kpt #: 53 total cpu time spent up to now is 75.7 secs Computing kpt #: 54 total cpu time spent up to now is 77.2 secs Computing kpt #: 55 total cpu time spent up to now is 78.6 secs Computing kpt #: 56 total cpu time spent up to now is 80.1 secs Computing kpt #: 57 total cpu time spent up to now is 81.5 secs Computing kpt #: 58 total cpu time spent up to now is 82.8 secs Computing kpt #: 59 total cpu time spent up to now is 84.1 secs Computing kpt #: 60 total cpu time spent up to now is 85.4 secs Computing kpt #: 61 total cpu time spent up to now is 86.6 secs Computing kpt #: 62 total cpu time spent up to now is 87.9 secs Computing kpt #: 63 total cpu time spent up to now is 89.1 secs Computing kpt #: 64 total cpu time spent up to now is 90.3 secs Computing kpt #: 65 total cpu time spent up to now is 91.5 secs Computing kpt #: 66 total cpu time spent up to now is 92.5 secs Computing kpt #: 67 total cpu time spent up to now is 93.7 secs Computing kpt #: 68 total cpu time spent up to now is 94.8 secs Computing kpt #: 69 total cpu time spent up to now is 96.1 secs Computing kpt #: 70 total cpu time spent up to now is 97.3 secs Computing kpt #: 71 total cpu time spent up to now is 98.4 secs Computing kpt #: 72 total cpu time spent up to now is 99.5 secs Computing kpt #: 73 total cpu time spent up to now is 100.7 secs Computing kpt #: 74 total cpu time spent up to now is 101.9 secs Computing kpt #: 75 total cpu time spent up to now is 103.0 secs Computing kpt #: 76 total cpu time spent up to now is 104.1 secs Computing kpt #: 77 total cpu time spent up to now is 105.2 secs Computing kpt #: 78 total cpu time spent up to now is 106.2 secs Computing kpt #: 79 total cpu time spent up to now is 107.3 secs Computing kpt #: 80 total cpu time spent up to now is 108.4 secs Computing kpt #: 81 total cpu time spent up to now is 109.4 secs Computing kpt #: 82 total cpu time spent up to now is 110.5 secs Computing kpt #: 83 total cpu time spent up to now is 111.7 secs Computing kpt #: 84 total cpu time spent up to now is 112.9 secs Computing kpt #: 85 total cpu time spent up to now is 114.2 secs Computing kpt #: 86 total cpu time spent up to now is 115.6 secs Computing kpt #: 87 total cpu time spent up to now is 116.8 secs Computing kpt #: 88 total cpu time spent up to now is 118.1 secs Computing kpt #: 89 total cpu time spent up to now is 119.3 secs Computing kpt #: 90 total cpu time spent up to now is 120.6 secs Computing kpt #: 91 total cpu time spent up to now is 121.9 secs Computing kpt #: 92 total cpu time spent up to now is 123.2 secs Computing kpt #: 93 total cpu time spent up to now is 124.3 secs Computing kpt #: 94 total cpu time spent up to now is 125.4 secs Computing kpt #: 95 total cpu time spent up to now is 126.7 secs Computing kpt #: 96 total cpu time spent up to now is 128.0 secs Computing kpt #: 97 total cpu time spent up to now is 129.3 secs Computing kpt #: 98 total cpu time spent up to now is 130.6 secs Computing kpt #: 99 total cpu time spent up to now is 131.8 secs Computing kpt #: 100 total cpu time spent up to now is 133.1 secs Computing kpt #: 101 total cpu time spent up to now is 134.5 secs Computing kpt #: 102 total cpu time spent up to now is 135.8 secs Computing kpt #: 103 total cpu time spent up to now is 137.1 secs Computing kpt #: 104 total cpu time spent up to now is 138.4 secs Computing kpt #: 105 total cpu time spent up to now is 139.8 secs Computing kpt #: 106 total cpu time spent up to now is 141.1 secs Computing kpt #: 107 total cpu time spent up to now is 142.5 secs Computing kpt #: 108 total cpu time spent up to now is 143.8 secs Computing kpt #: 109 total cpu time spent up to now is 145.2 secs Computing kpt #: 110 total cpu time spent up to now is 146.5 secs Computing kpt #: 111 total cpu time spent up to now is 147.8 secs Computing kpt #: 112 total cpu time spent up to now is 149.6 secs Computing kpt #: 113 total cpu time spent up to now is 151.4 secs Computing kpt #: 114 total cpu time spent up to now is 153.3 secs Computing kpt #: 115 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 156.1 secs Computing kpt #: 116 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 159.0 secs Computing kpt #: 117 total cpu time spent up to now is 160.9 secs Computing kpt #: 118 total cpu time spent up to now is 162.9 secs Computing kpt #: 119 total cpu time spent up to now is 164.9 secs Computing kpt #: 120 total cpu time spent up to now is 166.7 secs Computing kpt #: 121 total cpu time spent up to now is 168.4 secs Computing kpt #: 122 total cpu time spent up to now is 170.1 secs Computing kpt #: 123 total cpu time spent up to now is 172.3 secs Computing kpt #: 124 total cpu time spent up to now is 174.0 secs Computing kpt #: 125 total cpu time spent up to now is 175.7 secs Computing kpt #: 126 total cpu time spent up to now is 177.6 secs Computing kpt #: 127 total cpu time spent up to now is 179.6 secs Computing kpt #: 128 total cpu time spent up to now is 182.0 secs Computing kpt #: 129 total cpu time spent up to now is 184.4 secs Computing kpt #: 130 total cpu time spent up to now is 186.9 secs Computing kpt #: 131 total cpu time spent up to now is 189.3 secs Computing kpt #: 132 total cpu time spent up to now is 191.4 secs Computing kpt #: 133 total cpu time spent up to now is 193.3 secs Computing kpt #: 134 total cpu time spent up to now is 195.1 secs Computing kpt #: 135 total cpu time spent up to now is 197.0 secs Computing kpt #: 136 total cpu time spent up to now is 198.9 secs Computing kpt #: 137 total cpu time spent up to now is 200.6 secs Computing kpt #: 138 total cpu time spent up to now is 202.2 secs Computing kpt #: 139 total cpu time spent up to now is 203.9 secs Computing kpt #: 140 total cpu time spent up to now is 205.2 secs Computing kpt #: 141 total cpu time spent up to now is 206.5 secs Computing kpt #: 142 total cpu time spent up to now is 207.6 secs Computing kpt #: 143 total cpu time spent up to now is 208.9 secs Computing kpt #: 144 total cpu time spent up to now is 210.2 secs Computing kpt #: 145 total cpu time spent up to now is 211.5 secs Computing kpt #: 146 total cpu time spent up to now is 212.8 secs Computing kpt #: 147 total cpu time spent up to now is 214.2 secs Computing kpt #: 148 total cpu time spent up to now is 215.5 secs Computing kpt #: 149 total cpu time spent up to now is 216.7 secs Computing kpt #: 150 total cpu time spent up to now is 218.0 secs Computing kpt #: 151 total cpu time spent up to now is 219.3 secs Computing kpt #: 152 total cpu time spent up to now is 220.6 secs Computing kpt #: 153 total cpu time spent up to now is 221.9 secs Computing kpt #: 154 total cpu time spent up to now is 223.2 secs Computing kpt #: 155 total cpu time spent up to now is 224.4 secs Computing kpt #: 156 total cpu time spent up to now is 225.8 secs Computing kpt #: 157 total cpu time spent up to now is 227.1 secs Computing kpt #: 158 total cpu time spent up to now is 228.4 secs Computing kpt #: 159 total cpu time spent up to now is 229.7 secs Computing kpt #: 160 total cpu time spent up to now is 231.0 secs Computing kpt #: 161 total cpu time spent up to now is 232.2 secs Computing kpt #: 162 total cpu time spent up to now is 233.4 secs Computing kpt #: 163 total cpu time spent up to now is 234.6 secs Computing kpt #: 164 total cpu time spent up to now is 235.9 secs Computing kpt #: 165 total cpu time spent up to now is 237.2 secs Computing kpt #: 166 total cpu time spent up to now is 238.7 secs Computing kpt #: 167 total cpu time spent up to now is 240.0 secs Computing kpt #: 168 total cpu time spent up to now is 241.4 secs Computing kpt #: 169 total cpu time spent up to now is 242.7 secs Computing kpt #: 170 total cpu time spent up to now is 244.0 secs Computing kpt #: 171 total cpu time spent up to now is 245.3 secs Computing kpt #: 172 total cpu time spent up to now is 246.6 secs Computing kpt #: 173 total cpu time spent up to now is 248.0 secs Computing kpt #: 174 total cpu time spent up to now is 249.3 secs Computing kpt #: 175 total cpu time spent up to now is 250.6 secs Computing kpt #: 176 total cpu time spent up to now is 251.7 secs Computing kpt #: 177 total cpu time spent up to now is 252.9 secs Computing kpt #: 178 total cpu time spent up to now is 254.0 secs Computing kpt #: 179 total cpu time spent up to now is 255.1 secs Computing kpt #: 180 total cpu time spent up to now is 256.1 secs Computing kpt #: 181 total cpu time spent up to now is 257.2 secs Computing kpt #: 182 total cpu time spent up to now is 258.3 secs Computing kpt #: 183 total cpu time spent up to now is 259.4 secs Computing kpt #: 184 total cpu time spent up to now is 260.5 secs Computing kpt #: 185 total cpu time spent up to now is 261.7 secs Computing kpt #: 186 total cpu time spent up to now is 262.8 secs Computing kpt #: 187 total cpu time spent up to now is 264.0 secs Computing kpt #: 188 total cpu time spent up to now is 265.2 secs Computing kpt #: 189 total cpu time spent up to now is 266.3 secs Computing kpt #: 190 total cpu time spent up to now is 267.4 secs Computing kpt #: 191 total cpu time spent up to now is 268.4 secs Computing kpt #: 192 total cpu time spent up to now is 269.7 secs Computing kpt #: 193 total cpu time spent up to now is 270.9 secs Computing kpt #: 194 total cpu time spent up to now is 272.1 secs Computing kpt #: 195 total cpu time spent up to now is 273.3 secs Computing kpt #: 196 total cpu time spent up to now is 274.4 secs Computing kpt #: 197 total cpu time spent up to now is 275.5 secs Computing kpt #: 198 total cpu time spent up to now is 276.6 secs Computing kpt #: 199 total cpu time spent up to now is 277.7 secs Computing kpt #: 200 total cpu time spent up to now is 278.7 secs Computing kpt #: 201 total cpu time spent up to now is 279.8 secs Computing kpt #: 202 total cpu time spent up to now is 280.9 secs Computing kpt #: 203 total cpu time spent up to now is 282.0 secs Computing kpt #: 204 total cpu time spent up to now is 283.2 secs Computing kpt #: 205 total cpu time spent up to now is 284.5 secs Computing kpt #: 206 total cpu time spent up to now is 285.8 secs Computing kpt #: 207 total cpu time spent up to now is 287.1 secs Computing kpt #: 208 total cpu time spent up to now is 288.4 secs Computing kpt #: 209 total cpu time spent up to now is 290.0 secs Computing kpt #: 210 total cpu time spent up to now is 291.5 secs Computing kpt #: 211 total cpu time spent up to now is 293.0 secs Computing kpt #: 212 total cpu time spent up to now is 294.4 secs Computing kpt #: 213 total cpu time spent up to now is 296.0 secs Computing kpt #: 214 total cpu time spent up to now is 297.4 secs Computing kpt #: 215 total cpu time spent up to now is 298.7 secs Computing kpt #: 216 total cpu time spent up to now is 299.9 secs Computing kpt #: 217 total cpu time spent up to now is 301.2 secs Computing kpt #: 218 total cpu time spent up to now is 302.4 secs Computing kpt #: 219 total cpu time spent up to now is 303.6 secs Computing kpt #: 220 total cpu time spent up to now is 304.8 secs Computing kpt #: 221 total cpu time spent up to now is 305.9 secs Computing kpt #: 222 total cpu time spent up to now is 307.1 secs Computing kpt #: 223 total cpu time spent up to now is 308.4 secs Computing kpt #: 224 total cpu time spent up to now is 309.6 secs Computing kpt #: 225 total cpu time spent up to now is 310.9 secs Computing kpt #: 226 total cpu time spent up to now is 312.6 secs Computing kpt #: 227 total cpu time spent up to now is 314.1 secs Computing kpt #: 228 total cpu time spent up to now is 315.3 secs Computing kpt #: 229 total cpu time spent up to now is 316.4 secs Computing kpt #: 230 total cpu time spent up to now is 317.4 secs Computing kpt #: 231 total cpu time spent up to now is 318.4 secs Computing kpt #: 232 total cpu time spent up to now is 319.5 secs Computing kpt #: 233 total cpu time spent up to now is 320.7 secs Computing kpt #: 234 total cpu time spent up to now is 321.8 secs Computing kpt #: 235 total cpu time spent up to now is 322.9 secs Computing kpt #: 236 total cpu time spent up to now is 324.1 secs Computing kpt #: 237 total cpu time spent up to now is 325.3 secs Computing kpt #: 238 total cpu time spent up to now is 326.5 secs Computing kpt #: 239 total cpu time spent up to now is 327.7 secs Computing kpt #: 240 total cpu time spent up to now is 328.9 secs Computing kpt #: 241 total cpu time spent up to now is 330.1 secs Computing kpt #: 242 total cpu time spent up to now is 331.4 secs Computing kpt #: 243 total cpu time spent up to now is 332.7 secs Computing kpt #: 244 total cpu time spent up to now is 334.1 secs Computing kpt #: 245 total cpu time spent up to now is 335.4 secs Computing kpt #: 246 total cpu time spent up to now is 336.7 secs Computing kpt #: 247 total cpu time spent up to now is 338.0 secs Computing kpt #: 248 total cpu time spent up to now is 339.3 secs Computing kpt #: 249 total cpu time spent up to now is 340.6 secs Computing kpt #: 250 total cpu time spent up to now is 342.2 secs Computing kpt #: 251 total cpu time spent up to now is 343.9 secs Computing kpt #: 252 total cpu time spent up to now is 345.6 secs Computing kpt #: 253 total cpu time spent up to now is 347.5 secs Computing kpt #: 254 total cpu time spent up to now is 349.2 secs Computing kpt #: 255 total cpu time spent up to now is 351.2 secs Computing kpt #: 256 total cpu time spent up to now is 352.9 secs Computing kpt #: 257 total cpu time spent up to now is 354.6 secs Computing kpt #: 258 total cpu time spent up to now is 356.3 secs Computing kpt #: 259 total cpu time spent up to now is 358.0 secs Computing kpt #: 260 total cpu time spent up to now is 359.7 secs Computing kpt #: 261 total cpu time spent up to now is 361.4 secs Computing kpt #: 262 total cpu time spent up to now is 363.0 secs Computing kpt #: 263 total cpu time spent up to now is 364.7 secs Computing kpt #: 264 total cpu time spent up to now is 366.5 secs Computing kpt #: 265 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 369.3 secs Computing kpt #: 266 total cpu time spent up to now is 371.4 secs Computing kpt #: 267 total cpu time spent up to now is 373.3 secs Computing kpt #: 268 total cpu time spent up to now is 375.6 secs Computing kpt #: 269 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 378.4 secs Computing kpt #: 270 total cpu time spent up to now is 380.0 secs Computing kpt #: 271 total cpu time spent up to now is 381.4 secs Computing kpt #: 272 total cpu time spent up to now is 382.7 secs Computing kpt #: 273 total cpu time spent up to now is 383.9 secs Computing kpt #: 274 total cpu time spent up to now is 385.0 secs Computing kpt #: 275 total cpu time spent up to now is 386.1 secs Computing kpt #: 276 total cpu time spent up to now is 387.3 secs Computing kpt #: 277 total cpu time spent up to now is 388.3 secs Computing kpt #: 278 total cpu time spent up to now is 389.3 secs Computing kpt #: 279 total cpu time spent up to now is 390.4 secs Computing kpt #: 280 total cpu time spent up to now is 391.3 secs Computing kpt #: 281 total cpu time spent up to now is 392.4 secs Computing kpt #: 282 total cpu time spent up to now is 393.4 secs Computing kpt #: 283 total cpu time spent up to now is 394.8 secs Computing kpt #: 284 total cpu time spent up to now is 396.1 secs Computing kpt #: 285 total cpu time spent up to now is 397.4 secs Computing kpt #: 286 total cpu time spent up to now is 398.7 secs Computing kpt #: 287 total cpu time spent up to now is 400.0 secs Computing kpt #: 288 total cpu time spent up to now is 401.3 secs Computing kpt #: 289 total cpu time spent up to now is 402.6 secs Computing kpt #: 290 total cpu time spent up to now is 403.9 secs Computing kpt #: 291 total cpu time spent up to now is 405.1 secs Computing kpt #: 292 total cpu time spent up to now is 406.4 secs Computing kpt #: 293 total cpu time spent up to now is 407.7 secs Computing kpt #: 294 total cpu time spent up to now is 409.0 secs Computing kpt #: 295 total cpu time spent up to now is 410.3 secs Computing kpt #: 296 total cpu time spent up to now is 411.6 secs Computing kpt #: 297 total cpu time spent up to now is 412.9 secs Computing kpt #: 298 total cpu time spent up to now is 414.2 secs Computing kpt #: 299 total cpu time spent up to now is 415.5 secs Computing kpt #: 300 total cpu time spent up to now is 416.8 secs Computing kpt #: 301 total cpu time spent up to now is 418.1 secs Computing kpt #: 302 total cpu time spent up to now is 419.4 secs Computing kpt #: 303 total cpu time spent up to now is 420.7 secs Computing kpt #: 304 total cpu time spent up to now is 422.0 secs Computing kpt #: 305 total cpu time spent up to now is 423.2 secs Computing kpt #: 306 total cpu time spent up to now is 424.5 secs Computing kpt #: 307 total cpu time spent up to now is 425.8 secs Computing kpt #: 308 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 428.6 secs Computing kpt #: 309 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 431.3 secs Computing kpt #: 310 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 434.1 secs Computing kpt #: 311 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 436.9 secs Computing kpt #: 312 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 439.5 secs Computing kpt #: 313 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 442.2 secs Computing kpt #: 314 total cpu time spent up to now is 444.1 secs Computing kpt #: 315 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 446.8 secs Computing kpt #: 316 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 449.5 secs Computing kpt #: 317 total cpu time spent up to now is 451.2 secs Computing kpt #: 318 total cpu time spent up to now is 452.5 secs Computing kpt #: 319 total cpu time spent up to now is 454.4 secs Computing kpt #: 320 total cpu time spent up to now is 456.2 secs Computing kpt #: 321 total cpu time spent up to now is 458.0 secs Computing kpt #: 322 total cpu time spent up to now is 459.9 secs Computing kpt #: 323 total cpu time spent up to now is 462.3 secs Computing kpt #: 324 total cpu time spent up to now is 464.0 secs Computing kpt #: 325 total cpu time spent up to now is 465.8 secs Computing kpt #: 326 total cpu time spent up to now is 467.6 secs ethr = 1.92E-08, avg # of iterations = 34.5 total cpu time spent up to now is 467.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7513 PWs) bands (ev): -2.3117 -2.3117 -0.5074 -0.5074 -0.3097 -0.3097 3.3952 3.3952 3.4030 3.4030 3.6698 3.6698 3.8866 3.8866 4.7515 4.7515 4.7769 4.7769 4.8823 4.8823 4.8977 4.8977 4.9511 4.9511 5.4716 5.4716 5.4808 5.4808 5.5022 5.5022 5.6114 5.6114 6.0277 6.0277 6.4109 6.4109 6.9700 6.9700 7.0263 7.0263 7.0685 7.0685 7.3554 7.3554 7.4677 7.4677 7.8970 7.8970 7.9174 7.9174 8.2243 8.2243 8.7204 8.7204 9.3871 9.3871 9.7194 9.7194 9.8846 9.8846 10.0335 10.0335 k = 0.0102 0.0117-0.0000 ( 7519 PWs) bands (ev): -2.3102 -2.3102 -0.5060 -0.5060 -0.3082 -0.3082 3.3560 3.3560 3.3692 3.3692 3.7176 3.7176 3.9116 3.9116 4.7230 4.7230 4.7656 4.7656 4.8853 4.8853 4.9161 4.9161 4.9242 4.9242 5.4808 5.4808 5.4833 5.4833 5.5097 5.5097 5.6232 5.6232 6.0451 6.0451 6.4115 6.4115 6.9733 6.9733 7.0262 7.0262 7.0681 7.0681 7.3568 7.3568 7.4686 7.4686 7.8946 7.8946 7.9161 7.9161 8.2273 8.2273 8.7217 8.7217 9.3865 9.3865 9.7199 9.7199 9.8885 9.8885 10.0335 10.0335 k = 0.0205 0.0235-0.0000 ( 7525 PWs) bands (ev): -2.3058 -2.3058 -0.5018 -0.5018 -0.3039 -0.3039 3.2603 3.2603 3.3029 3.3029 3.8155 3.8155 3.9745 3.9745 4.6597 4.6597 4.7351 4.7351 4.8550 4.8550 4.8940 4.8940 4.9504 4.9504 5.4272 5.4272 5.5161 5.5161 5.5815 5.5815 5.6571 5.6571 6.0899 6.0899 6.4135 6.4135 6.9831 6.9831 7.0257 7.0257 7.0671 7.0671 7.3611 7.3611 7.4717 7.4717 7.8875 7.8875 7.9124 7.9124 8.2364 8.2364 8.7256 8.7256 9.3848 9.3848 9.7216 9.7216 9.9002 9.9002 10.0335 10.0335 k = 0.0307 0.0352-0.0000 ( 7539 PWs) bands (ev): -2.2984 -2.2984 -0.4947 -0.4947 -0.2967 -0.2967 3.1521 3.1521 3.2151 3.2151 3.9264 3.9264 4.0562 4.0562 4.5822 4.5822 4.6908 4.6908 4.7643 4.7643 4.9077 4.9077 4.9825 4.9825 5.3540 5.3540 5.5672 5.5672 5.6771 5.6771 5.7086 5.7086 6.1483 6.1483 6.4167 6.4167 6.9992 6.9992 7.0249 7.0249 7.0656 7.0656 7.3683 7.3683 7.4772 7.4772 7.8764 7.8764 7.9065 7.9065 8.2510 8.2510 8.7322 8.7322 9.3827 9.3827 9.7242 9.7242 9.9191 9.9191 10.0334 10.0334 k = 0.0410 0.0469-0.0000 ( 7527 PWs) bands (ev): -2.2881 -2.2881 -0.4849 -0.4849 -0.2865 -0.2865 3.0407 3.0407 3.1169 3.1169 4.0381 4.0381 4.1445 4.1445 4.4979 4.4979 4.6401 4.6401 4.6637 4.6637 4.9237 4.9237 5.0100 5.0100 5.2748 5.2748 5.6320 5.6320 5.7719 5.7719 5.7847 5.7847 6.2096 6.2096 6.4211 6.4211 7.0203 7.0203 7.0244 7.0244 7.0640 7.0640 7.3786 7.3786 7.4857 7.4857 7.8620 7.8620 7.8991 7.8991 8.2705 8.2705 8.7416 8.7416 9.3808 9.3808 9.7276 9.7276 9.9446 9.9446 10.0328 10.0328 k = 0.0512 0.0587-0.0000 ( 7521 PWs) bands (ev): -2.2748 -2.2748 -0.4722 -0.4722 -0.2735 -0.2735 2.9290 2.9290 3.0139 3.0139 4.1407 4.1407 4.2328 4.2328 4.4096 4.4096 4.5582 4.5582 4.5944 4.5944 4.9340 4.9340 5.0339 5.0339 5.2044 5.2044 5.7061 5.7061 5.8444 5.8444 5.8962 5.8962 6.2678 6.2678 6.4266 6.4266 7.0228 7.0228 7.0464 7.0464 7.0629 7.0629 7.3921 7.3921 7.4981 7.4981 7.8451 7.8451 7.8908 7.8908 8.2940 8.2940 8.7537 8.7537 9.3800 9.3800 9.7314 9.7314 9.9757 9.9757 10.0312 10.0312 k = 0.0615 0.0704-0.0000 ( 7531 PWs) bands (ev): -2.2585 -2.2585 -0.4567 -0.4567 -0.2576 -0.2576 2.8183 2.8183 2.9087 2.9087 4.2150 4.2150 4.3171 4.3171 4.3194 4.3194 4.4517 4.4517 4.5736 4.5736 4.9174 4.9174 5.0558 5.0558 5.1680 5.1680 5.7857 5.7857 5.9219 5.9219 6.0087 6.0087 6.3194 6.3194 6.4329 6.4329 7.0226 7.0226 7.0616 7.0616 7.0741 7.0741 7.4091 7.4091 7.5150 7.5150 7.8273 7.8273 7.8824 7.8824 8.3211 8.3211 8.7687 8.7687 9.3810 9.3810 9.7352 9.7352 10.0112 10.0112 10.0274 10.0274 k = 0.0717 0.0821-0.0000 ( 7527 PWs) bands (ev): -2.2394 -2.2394 -0.4385 -0.4385 -0.2389 -0.2389 2.7090 2.7090 2.8030 2.8030 4.2264 4.2264 4.2344 4.2344 4.3448 4.3448 4.3954 4.3954 4.6076 4.6076 4.8591 4.8591 5.0768 5.0768 5.1830 5.1830 5.8680 5.8680 6.0021 6.0021 6.1186 6.1186 6.3631 6.3631 6.4399 6.4399 7.0239 7.0239 7.0623 7.0623 7.0990 7.0990 7.4298 7.4298 7.5361 7.5361 7.8112 7.8112 7.8746 7.8746 8.3511 8.3511 8.7865 8.7865 9.3847 9.3847 9.7381 9.7381 10.0163 10.0163 10.0519 10.0519 k = 0.0820 0.0939-0.0000 ( 7529 PWs) bands (ev): -2.2172 -2.2172 -0.4174 -0.4174 -0.2173 -0.2173 2.6014 2.6014 2.6977 2.6977 4.1359 4.1359 4.1982 4.1982 4.2390 4.2390 4.4655 4.4655 4.6939 4.6939 4.7753 4.7753 5.0979 5.0979 5.2347 5.2347 5.9510 5.9510 6.0835 6.0835 6.2225 6.2225 6.3986 6.3986 6.4469 6.4469 7.0279 7.0279 7.0645 7.0645 7.1192 7.1192 7.4547 7.4547 7.5585 7.5585 7.8018 7.8018 7.8680 7.8680 8.3838 8.3838 8.8073 8.8073 9.3917 9.3917 9.7393 9.7393 9.9899 9.9899 10.0947 10.0947 k = 0.0922 0.1056-0.0000 ( 7539 PWs) bands (ev): -2.1922 -2.1922 -0.3935 -0.3935 -0.1928 -0.1928 2.4958 2.4958 2.5932 2.5932 4.0446 4.0446 4.1329 4.1329 4.1384 4.1384 4.5260 4.5260 4.6832 4.6832 4.8065 4.8065 5.1197 5.1197 5.3073 5.3073 6.0326 6.0326 6.1646 6.1646 6.3163 6.3163 6.4259 6.4259 6.4540 6.4540 7.0352 7.0352 7.0700 7.0700 7.1319 7.1319 7.4848 7.4848 7.5749 7.5749 7.8062 7.8062 7.8632 7.8632 8.4188 8.4188 8.8310 8.8310 9.4026 9.4026 9.7372 9.7372 9.9291 9.9291 10.1028 10.1028 k = 0.1024 0.1174-0.0000 ( 7523 PWs) bands (ev): -2.1642 -2.1642 -0.3668 -0.3668 -0.1656 -0.1656 2.3923 2.3923 2.4901 2.4901 3.9539 3.9539 4.0309 4.0309 4.0656 4.0656 4.5514 4.5514 4.6160 4.6160 4.9299 4.9299 5.1425 5.1425 5.3930 5.3930 6.1114 6.1114 6.2442 6.2442 6.3953 6.3953 6.4433 6.4433 6.4633 6.4633 7.0439 7.0439 7.0825 7.0825 7.1368 7.1368 7.5217 7.5217 7.5784 7.5784 7.8288 7.8288 7.8620 7.8620 8.4557 8.4557 8.8573 8.8573 9.4179 9.4179 9.7300 9.7300 9.8382 9.8382 10.0505 10.0505 k = 0.1127 0.1291-0.0000 ( 7537 PWs) bands (ev): -2.1332 -2.1332 -0.3373 -0.3373 -0.1355 -0.1355 2.2910 2.2910 2.3887 2.3887 3.8642 3.8642 3.9297 3.9297 3.9892 3.9892 4.4711 4.4711 4.6477 4.6477 5.0582 5.0582 5.1667 5.1667 5.4873 5.4873 6.1858 6.1858 6.3212 6.3212 6.4454 6.4454 6.4555 6.4555 6.4806 6.4806 7.0510 7.0510 7.1035 7.1035 7.1363 7.1363 7.5597 7.5597 7.5777 7.5777 7.8515 7.8515 7.8795 7.8795 8.4942 8.4942 8.8860 8.8860 9.4381 9.4381 9.7151 9.7151 9.7418 9.7418 10.0007 10.0007 k = 0.1229 0.1408-0.0000 ( 7541 PWs) bands (ev): -2.0994 -2.0994 -0.3050 -0.3050 -0.1026 -0.1026 2.1919 2.1919 2.2891 2.2891 3.7757 3.7757 3.8306 3.8306 3.9111 3.9111 4.3737 4.3737 4.6926 4.6926 5.1868 5.1868 5.1942 5.1942 5.5869 5.5869 6.2542 6.2542 6.3920 6.3920 6.4428 6.4428 6.4837 6.4837 6.5091 6.5091 7.0564 7.0564 7.1120 7.1120 7.1513 7.1513 7.5485 7.5485 7.6313 7.6313 7.8567 7.8567 7.9251 7.9251 8.5342 8.5342 8.9161 8.9161 9.4634 9.4634 9.6548 9.6548 9.6899 9.6899 9.9533 9.9533 k = 0.1332 0.1526-0.0000 ( 7545 PWs) bands (ev): -2.0626 -2.0626 -0.2699 -0.2699 -0.0670 -0.0670 2.0952 2.0952 2.1915 2.1915 3.6887 3.6887 3.7335 3.7335 3.8325 3.8325 4.2754 4.2754 4.7361 4.7361 5.2191 5.2191 5.3202 5.3202 5.6892 5.6892 6.3147 6.3147 6.4138 6.4138 6.4742 6.4742 6.4991 6.4991 6.5333 6.5333 7.0613 7.0613 7.0991 7.0991 7.1882 7.1882 7.5286 7.5286 7.7061 7.7061 7.8622 7.8622 7.9729 7.9729 8.5751 8.5751 8.9463 8.9463 9.4939 9.4939 9.5842 9.5842 9.6519 9.6519 9.9089 9.9089 k = 0.1434 0.1643-0.0000 ( 7543 PWs) bands (ev): -2.0229 -2.0229 -0.2320 -0.2320 -0.0287 -0.0287 2.0008 2.0008 2.0962 2.0962 3.6033 3.6033 3.6388 3.6388 3.7542 3.7542 4.1780 4.1780 4.7775 4.7775 5.2479 5.2479 5.4507 5.4507 5.7916 5.7916 6.3621 6.3621 6.3920 6.3920 6.5097 6.5097 6.5302 6.5302 6.5538 6.5538 7.0633 7.0633 7.0847 7.0847 7.2278 7.2278 7.5084 7.5084 7.7975 7.7975 7.8708 7.8708 8.0147 8.0147 8.6166 8.6166 8.9742 8.9742 9.5252 9.5252 9.5366 9.5366 9.6014 9.6014 9.8676 9.8676 k = 0.1537 0.1760-0.0000 ( 7551 PWs) bands (ev): -1.9803 -1.9803 -0.1913 -0.1913 0.0123 0.0123 1.9089 1.9089 2.0032 2.0032 3.5196 3.5196 3.5463 3.5463 3.6767 3.6767 4.0821 4.0821 4.8172 4.8172 5.2782 5.2782 5.5799 5.5799 5.8915 5.8915 6.3424 6.3424 6.4117 6.4117 6.5170 6.5170 6.5421 6.5421 6.6072 6.6072 7.0515 7.0515 7.0850 7.0850 7.2649 7.2649 7.4897 7.4897 7.8829 7.8829 7.9050 7.9050 8.0467 8.0467 8.6581 8.6581 8.9954 8.9954 9.4971 9.4971 9.5386 9.5386 9.5751 9.5751 9.8298 9.8298 k = 0.1639 0.1878-0.0000 ( 7551 PWs) bands (ev): -1.9348 -1.9348 -0.1479 -0.1479 0.0559 0.0559 1.8194 1.8194 1.9128 1.9128 3.4378 3.4378 3.4563 3.4563 3.6003 3.6003 3.9881 3.9881 4.8549 4.8549 5.3102 5.3102 5.7066 5.7066 5.9859 5.9859 6.2898 6.2898 6.4393 6.4393 6.5157 6.5157 6.5440 6.5440 6.6651 6.6651 7.0339 7.0339 7.0954 7.0954 7.2978 7.2978 7.4733 7.4733 7.9003 7.9003 8.0250 8.0250 8.0676 8.0676 8.6990 8.6990 9.0029 9.0029 9.4749 9.4749 9.4818 9.4818 9.6204 9.6204 9.7956 9.7956 k = 0.1742 0.1995-0.0000 ( 7549 PWs) bands (ev): -1.8864 -1.8864 -0.1017 -0.1017 0.1020 0.1020 1.7324 1.7324 1.8249 1.8249 3.3578 3.3578 3.3687 3.3687 3.5253 3.5253 3.8960 3.8960 4.8902 4.8902 5.3437 5.3437 5.8299 5.8299 6.0666 6.0666 6.2310 6.2310 6.4541 6.4541 6.5043 6.5043 6.5467 6.5467 6.7192 6.7192 7.0186 7.0186 7.1102 7.1102 7.3264 7.3264 7.4598 7.4598 7.9226 7.9226 8.0774 8.0774 8.1560 8.1560 8.7385 8.7385 8.9877 8.9877 9.4313 9.4313 9.4643 9.4643 9.6717 9.6717 9.7653 9.7653 k = 0.1844 0.2112-0.0000 ( 7545 PWs) bands (ev): -1.8352 -1.8352 -0.0527 -0.0527 0.1506 0.1506 1.6479 1.6479 1.7398 1.7398 3.2799 3.2799 3.2837 3.2837 3.4519 3.4519 3.8062 3.8062 4.9223 4.9223 5.3788 5.3788 5.9487 5.9487 6.0874 6.0874 6.2128 6.2128 6.4546 6.4546 6.4863 6.4863 6.5483 6.5483 6.7689 6.7689 7.0072 7.0072 7.1286 7.1286 7.3504 7.3504 7.4503 7.4503 7.9508 7.9508 8.0776 8.0776 8.2946 8.2946 8.7759 8.7759 8.9449 8.9449 9.4029 9.4029 9.4525 9.4525 9.7237 9.7237 9.7427 9.7427 k = 0.1946 0.2230-0.0000 ( 7545 PWs) bands (ev): -1.7810 -1.7810 -0.0010 -0.0010 0.2016 0.2016 1.5660 1.5660 1.6577 1.6577 3.2008 3.2008 3.2044 3.2044 3.3802 3.3802 3.7187 3.7187 4.9494 4.9494 5.4154 5.4154 6.0192 6.0192 6.0622 6.0622 6.2660 6.2660 6.4402 6.4402 6.4644 6.4644 6.5467 6.5467 6.8142 6.8142 7.0004 7.0004 7.1501 7.1501 7.3692 7.3692 7.4461 7.4461 7.9857 7.9857 8.0692 8.0692 8.4384 8.4384 8.8099 8.8099 8.8793 8.8793 9.3908 9.3908 9.4409 9.4409 9.7152 9.7152 9.7885 9.7885 k = 0.2049 0.2347-0.0000 ( 7541 PWs) bands (ev): -1.7241 -1.7241 0.0535 0.0535 0.2547 0.2547 1.4866 1.4866 1.5786 1.5786 3.1209 3.1209 3.1307 3.1307 3.3103 3.3103 3.6336 3.6336 4.9687 4.9687 5.4535 5.4535 5.9303 5.9303 6.1687 6.1687 6.3257 6.3257 6.4107 6.4107 6.4400 6.4400 6.5412 6.5412 6.8549 6.8549 6.9979 6.9979 7.1740 7.1740 7.3818 7.3818 7.4493 7.4493 8.0278 8.0278 8.0530 8.0530 8.5850 8.5850 8.7988 8.7988 8.8425 8.8425 9.3853 9.3853 9.4324 9.4324 9.6991 9.6991 9.8494 9.8494 k = 0.2151 0.2464-0.0000 ( 7537 PWs) bands (ev): -1.6642 -1.6642 0.1107 0.1107 0.3097 0.3097 1.4098 1.4098 1.5029 1.5029 3.0435 3.0435 3.0592 3.0592 3.2424 3.2424 3.5509 3.5509 4.9759 4.9759 5.4929 5.4929 5.8409 5.8409 6.2674 6.2674 6.3651 6.3651 6.3772 6.3772 6.4139 6.4139 6.5317 6.5317 6.8912 6.8912 6.9997 6.9997 7.1996 7.1996 7.3888 7.3888 7.4596 7.4596 8.0290 8.0290 8.0782 8.0782 8.7167 8.7167 8.7324 8.7324 8.8679 8.8679 9.3784 9.3784 9.4322 9.4322 9.6898 9.6898 9.9120 9.9120 k = 0.2254 0.2582-0.0000 ( 7541 PWs) bands (ev): -1.6016 -1.6016 0.1707 0.1707 0.3664 0.3664 1.3355 1.3355 1.4309 1.4309 2.9686 2.9686 2.9900 2.9900 3.1765 3.1765 3.4709 3.4709 4.9647 4.9647 5.5335 5.5335 5.7613 5.7613 6.3065 6.3065 6.3566 6.3566 6.3880 6.3880 6.4114 6.4114 6.5201 6.5201 6.9232 6.9232 7.0057 7.0057 7.2262 7.2262 7.3932 7.3932 7.4746 7.4746 7.9988 7.9988 8.1362 8.1362 8.6374 8.6374 8.8747 8.8747 8.8893 8.8893 9.3654 9.3654 9.4459 9.4459 9.6900 9.6900 9.9756 9.9756 k = 0.2356 0.2699-0.0000 ( 7547 PWs) bands (ev): -1.5361 -1.5361 0.2333 0.2333 0.4242 0.4242 1.2639 1.2639 1.3631 1.3631 2.8964 2.8964 2.9231 2.9231 3.1126 3.1126 3.3935 3.3935 4.9284 4.9284 5.5752 5.5752 5.7003 5.7003 6.2353 6.2353 6.3559 6.3559 6.4211 6.4211 6.4409 6.4409 6.5137 6.5137 6.9514 6.9514 7.0158 7.0158 7.2534 7.2534 7.3978 7.3978 7.4915 7.4915 7.9633 7.9633 8.2021 8.2021 8.5627 8.5627 8.9059 8.9059 9.0090 9.0090 9.3439 9.3439 9.4777 9.4777 9.7043 9.7043 10.0404 10.0404 k = 0.2459 0.2817-0.0000 ( 7545 PWs) bands (ev): -1.4678 -1.4678 0.2987 0.2987 0.4825 0.4825 1.1949 1.1949 1.3002 1.3002 2.8268 2.8268 2.8586 2.8586 3.0509 3.0509 3.3187 3.3187 4.8629 4.8629 5.6176 5.6176 5.6635 5.6635 6.1513 6.1513 6.3273 6.3273 6.4043 6.4043 6.4925 6.4925 6.5329 6.5329 6.9762 6.9762 7.0296 7.0296 7.2808 7.2808 7.4039 7.4039 7.5092 7.5092 7.9248 7.9248 8.2747 8.2747 8.4950 8.4950 8.9191 8.9191 9.1261 9.1261 9.3143 9.3143 9.5288 9.5288 9.7401 9.7401 10.1073 10.1073 k = 0.2561 0.2934-0.0000 ( 7539 PWs) bands (ev): -1.3968 -1.3968 0.3668 0.3668 0.5400 0.5400 1.1286 1.1286 1.2433 1.2433 2.7599 2.7599 2.7964 2.7964 2.9913 2.9913 3.2467 3.2467 4.7698 4.7698 5.6497 5.6497 5.6608 5.6608 6.0567 6.0567 6.2980 6.2980 6.3647 6.3647 6.5022 6.5022 6.5883 6.5883 6.9985 6.9985 7.0463 7.0463 7.3082 7.3082 7.4121 7.4121 7.5269 7.5269 7.8859 7.8859 8.3520 8.3520 8.4349 8.4349 8.9308 8.9308 9.2172 9.2172 9.2784 9.2784 9.5979 9.5979 9.8053 9.8053 10.1777 10.1777 k = 0.2664 0.3051-0.0000 ( 7543 PWs) bands (ev): -1.3230 -1.3230 0.4376 0.4376 0.5948 0.5948 1.0649 1.0649 1.1945 1.1945 2.6956 2.6956 2.7366 2.7366 2.9340 2.9340 3.1774 3.1774 4.6548 4.6548 5.6544 5.6544 5.7021 5.7021 5.9541 5.9541 6.2679 6.2679 6.3103 6.3103 6.5007 6.5007 6.6431 6.6431 7.0185 7.0185 7.0650 7.0650 7.3354 7.3354 7.4224 7.4224 7.5446 7.5446 7.8489 7.8489 8.3822 8.3822 8.4301 8.4301 8.9445 8.9445 9.2348 9.2348 9.2815 9.2815 9.6815 9.6815 9.9032 9.9032 10.2256 10.2256 k = 0.2766 0.3169-0.0000 ( 7549 PWs) bands (ev): -1.2465 -1.2465 0.5111 0.5111 0.6437 0.6437 1.0039 1.0039 1.1569 1.1569 2.6341 2.6341 2.6793 2.6793 2.8789 2.8789 3.1109 3.1109 4.5241 4.5241 5.6700 5.6700 5.7330 5.7330 5.8543 5.8543 6.2315 6.2315 6.2506 6.2506 6.4939 6.4939 6.6915 6.6915 7.0362 7.0362 7.0851 7.0851 7.3624 7.3624 7.4352 7.4352 7.5619 7.5619 7.8158 7.8158 8.3367 8.3367 8.5029 8.5029 8.9664 8.9664 9.1907 9.1907 9.3180 9.3180 9.7738 9.7738 10.0289 10.0289 10.2255 10.2255 k = 0.2868 0.3286-0.0000 ( 7553 PWs) bands (ev): -1.1673 -1.1673 0.5872 0.5872 0.6818 0.6818 0.9455 0.9455 1.1352 1.1352 2.5752 2.5752 2.6244 2.6244 2.8261 2.8261 3.0471 3.0471 4.3831 4.3831 5.6830 5.6830 5.6926 5.6926 5.8253 5.8253 6.1636 6.1636 6.2145 6.2145 6.4841 6.4841 6.7336 6.7336 7.0513 7.0513 7.1062 7.1062 7.3893 7.3893 7.4505 7.4505 7.5788 7.5788 7.7877 7.7877 8.2976 8.2976 8.5622 8.5622 9.0043 9.0043 9.1439 9.1439 9.3383 9.3383 9.8633 9.8633 10.1731 10.1731 10.2384 10.2384 k = 0.2971 0.3403-0.0000 ( 7553 PWs) bands (ev): -1.0854 -1.0854 0.6659 0.6659 0.7037 0.7037 0.8898 0.8898 1.1350 1.1350 2.5190 2.5190 2.5720 2.5720 2.7757 2.7757 2.9861 2.9861 4.2355 4.2355 5.5687 5.5687 5.7048 5.7048 5.8605 5.8605 6.0873 6.0873 6.1856 6.1856 6.4732 6.4732 6.7700 6.7700 7.0638 7.0638 7.1275 7.1275 7.4159 7.4159 7.4686 7.4686 7.5952 7.5952 7.7653 7.7653 8.2642 8.2642 8.6008 8.6008 9.0651 9.0651 9.0960 9.0960 9.3487 9.3487 9.9306 9.9306 10.2800 10.2800 10.3302 10.3302 k = 0.3073 0.3521-0.0000 ( 7549 PWs) bands (ev): -1.0010 -1.0010 0.7068 0.7068 0.7473 0.7473 0.8368 0.8368 1.1586 1.1586 2.4656 2.4656 2.5222 2.5222 2.7276 2.7276 2.9279 2.9279 4.0837 4.0837 5.4383 5.4383 5.7012 5.7012 5.9041 5.9041 6.0212 6.0212 6.1581 6.1581 6.4630 6.4630 6.8016 6.8016 7.0739 7.0739 7.1483 7.1483 7.4424 7.4424 7.4897 7.4897 7.6111 7.6111 7.7483 7.7483 8.2356 8.2356 8.6182 8.6182 9.0480 9.0480 9.1491 9.1491 9.3535 9.3535 9.9594 9.9594 10.3674 10.3674 10.4923 10.4923 k = 0.3176 0.3638-0.0000 ( 7533 PWs) bands (ev): -0.9139 -0.9139 0.6942 0.6942 0.7865 0.7865 0.8313 0.8313 1.2031 1.2031 2.4149 2.4149 2.4749 2.4749 2.6819 2.6819 2.8724 2.8724 3.9298 3.9298 5.3020 5.3020 5.6610 5.6610 5.9473 5.9473 5.9852 5.9852 6.1317 6.1317 6.4554 6.4554 6.8290 6.8290 7.0819 7.0819 7.1677 7.1677 7.4692 7.4692 7.5138 7.5138 7.6264 7.6264 7.7364 7.7364 8.2113 8.2113 8.6191 8.6191 9.0007 9.0007 9.2511 9.2511 9.3550 9.3550 9.9548 9.9548 10.4906 10.4906 10.6573 10.6573 k = 0.3278 0.3755-0.0000 ( 7529 PWs) bands (ev): -0.8245 -0.8245 0.6713 0.6713 0.7390 0.7390 0.9177 0.9177 1.2627 1.2627 2.3669 2.3669 2.4301 2.4301 2.6386 2.6386 2.8195 2.8195 3.7751 3.7751 5.1621 5.1621 5.5804 5.5804 5.9685 5.9685 6.0027 6.0027 6.1065 6.1065 6.4520 6.4520 6.8529 6.8529 7.0881 7.0881 7.1851 7.1851 7.4966 7.4966 7.5405 7.5405 7.6411 7.6411 7.7289 7.7289 8.1905 8.1905 8.6092 8.6092 8.9547 8.9547 9.3539 9.3539 9.3659 9.3659 9.9299 9.9299 10.6305 10.6305 10.7386 10.7386 k = 0.3381 0.3873-0.0000 ( 7549 PWs) bands (ev): -0.7326 -0.7326 0.6431 0.6431 0.6941 0.6941 1.0068 1.0068 1.3323 1.3323 2.3216 2.3216 2.3880 2.3880 2.5977 2.5977 2.7689 2.7689 3.6209 3.6209 5.0195 5.0195 5.4733 5.4733 5.9797 5.9797 6.0464 6.0464 6.0829 6.0829 6.4546 6.4546 6.8738 6.8738 7.0927 7.0927 7.2001 7.2001 7.5250 7.5250 7.5695 7.5695 7.6551 7.6551 7.7254 7.7254 8.1727 8.1727 8.5928 8.5928 8.9105 8.9105 9.3532 9.3532 9.4867 9.4867 9.8921 9.8921 10.7430 10.7430 10.8319 10.8319 k = 0.3483 0.3990-0.0000 ( 7533 PWs) bands (ev): -0.6386 -0.6386 0.6129 0.6129 0.6520 0.6520 1.0983 1.0983 1.4085 1.4085 2.2791 2.2791 2.3485 2.3485 2.5592 2.5592 2.7203 2.7203 3.4686 3.4686 4.8753 4.8753 5.3518 5.3518 5.9927 5.9927 6.0593 6.0593 6.0934 6.0934 6.4645 6.4645 6.8924 6.8924 7.0962 7.0962 7.2126 7.2126 7.5544 7.5544 7.6007 7.6007 7.6687 7.6687 7.7252 7.7252 8.1573 8.1573 8.5726 8.5726 8.8686 8.8686 9.3514 9.3514 9.6127 9.6127 9.8446 9.8446 10.8023 10.8023 10.9866 10.9866 k = 0.3585 0.4107-0.0000 ( 7529 PWs) bands (ev): -0.5424 -0.5424 0.5828 0.5828 0.6125 0.6125 1.1921 1.1921 1.4890 1.4890 2.2393 2.2393 2.3117 2.3117 2.5232 2.5232 2.6729 2.6729 3.3198 3.3198 4.7301 4.7301 5.2225 5.2225 6.0016 6.0016 6.0407 6.0407 6.1380 6.1380 6.4823 6.4823 6.9089 6.9089 7.0985 7.0985 7.2225 7.2225 7.5843 7.5843 7.6334 7.6334 7.6824 7.6824 7.7280 7.7280 8.1441 8.1441 8.5503 8.5503 8.8296 8.8296 9.3493 9.3493 9.7413 9.7413 9.7892 9.7892 10.8513 10.8513 11.0658 11.0658 k = 0.3688 0.4225-0.0000 ( 7523 PWs) bands (ev): -0.4445 -0.4445 0.5541 0.5541 0.5759 0.5759 1.2883 1.2883 1.5718 1.5718 2.2023 2.2023 2.2777 2.2777 2.4896 2.4896 2.6253 2.6253 3.1768 3.1768 4.5844 4.5844 5.0885 5.0885 5.9999 5.9999 6.0293 6.0293 6.1820 6.1820 6.5078 6.5078 6.9237 6.9237 7.1000 7.1000 7.2300 7.2300 7.6139 7.6139 7.6647 7.6647 7.6988 7.6988 7.7341 7.7341 8.1326 8.1326 8.5271 8.5271 8.7938 8.7938 9.3471 9.3471 9.7266 9.7266 9.8713 9.8713 10.8983 10.8983 11.0126 11.0126 k = 0.3790 0.4342-0.0000 ( 7526 PWs) bands (ev): -0.3453 -0.3453 0.5281 0.5281 0.5419 0.5419 1.3867 1.3867 1.6556 1.6556 2.1681 2.1681 2.2465 2.2465 2.4586 2.4586 2.5746 2.5746 3.0437 3.0437 4.4386 4.4386 4.9519 4.9519 5.9870 5.9870 6.0258 6.0258 6.2247 6.2247 6.5398 6.5398 6.9369 6.9369 7.1006 7.1006 7.2351 7.2351 7.6422 7.6422 7.6869 7.6869 7.7224 7.7224 7.7466 7.7466 8.1226 8.1226 8.5038 8.5038 8.7616 8.7616 9.3450 9.3450 9.6578 9.6578 10.0016 10.0016 10.9358 10.9358 10.9443 10.9443 k = 0.3893 0.4459-0.0000 ( 7538 PWs) bands (ev): -0.2454 -0.2454 0.5057 0.5057 0.5107 0.5107 1.4871 1.4871 1.7384 1.7384 2.1366 2.1366 2.2183 2.2183 2.4300 2.4300 2.5160 2.5160 2.9266 2.9266 4.2932 4.2932 4.8141 4.8141 5.9709 5.9709 6.0229 6.0229 6.2657 6.2657 6.5765 6.5765 6.9489 6.9489 7.1006 7.1006 7.2382 7.2382 7.6685 7.6685 7.6998 7.6998 7.7403 7.7403 7.7785 7.7785 8.1140 8.1140 8.4810 8.4810 8.7334 8.7334 9.3430 9.3430 9.5832 9.5832 10.1318 10.1318 10.8481 10.8481 10.9862 10.9862 k = 0.3995 0.4577-0.0000 ( 7534 PWs) bands (ev): -0.1461 -0.1461 0.4823 0.4823 0.4884 0.4884 1.5891 1.5891 1.8177 1.8177 2.1079 2.1079 2.1935 2.1935 2.4039 2.4039 2.4432 2.4432 2.8344 2.8344 4.1486 4.1486 4.6760 4.6760 5.9551 5.9551 6.0183 6.0183 6.3047 6.3047 6.6163 6.6163 6.9597 6.9597 7.1002 7.1002 7.2393 7.2393 7.6921 7.6921 7.7093 7.7093 7.7518 7.7518 7.8247 7.8247 8.1066 8.1066 8.4592 8.4592 8.7096 8.7096 9.3411 9.3411 9.5038 9.5038 10.2613 10.2613 10.7550 10.7550 11.0242 11.0242 k = 0.4098 0.4694-0.0000 ( 7530 PWs) bands (ev): -0.0494 -0.0494 0.4565 0.4565 0.4784 0.4784 1.6921 1.6921 1.8893 1.8893 2.0820 2.0820 2.1726 2.1726 2.3538 2.3538 2.3803 2.3803 2.7732 2.7732 4.0050 4.0050 4.5385 4.5385 5.9403 5.9403 6.0123 6.0123 6.3414 6.3414 6.6573 6.6573 6.9697 6.9697 7.0993 7.0993 7.2388 7.2388 7.7120 7.7120 7.7175 7.7175 7.7629 7.7629 7.8770 7.8770 8.1004 8.1004 8.4387 8.4387 8.6903 8.6903 9.3391 9.3391 9.4207 9.4207 10.3896 10.3896 10.6619 10.6619 11.0554 11.0554 k = 0.4200 0.4812-0.0000 ( 7532 PWs) bands (ev): 0.0408 0.0408 0.4336 0.4336 0.4798 0.4798 1.7945 1.7945 1.9436 1.9436 2.0588 2.0588 2.1569 2.1569 2.2574 2.2574 2.3592 2.3592 2.7427 2.7427 3.8628 3.8628 4.4025 4.4025 5.9268 5.9268 6.0055 6.0055 6.3753 6.3753 6.6981 6.6981 6.9787 6.9787 7.0981 7.0981 7.2368 7.2368 7.7233 7.7233 7.7293 7.7293 7.7746 7.7746 7.9337 7.9337 8.0953 8.0953 8.4197 8.4197 8.6755 8.6755 9.3278 9.3278 9.3439 9.3439 10.5164 10.5164 10.5720 10.5720 11.0783 11.0783 k = 0.4303 0.4929-0.0000 ( 7536 PWs) bands (ev): 0.1180 0.1180 0.4134 0.4134 0.4989 0.4989 1.8927 1.8927 1.9544 1.9544 2.0385 2.0385 2.1501 2.1501 2.1840 2.1840 2.3407 2.3407 2.7389 2.7389 3.7223 3.7223 4.2689 4.2689 5.9148 5.9148 5.9984 5.9984 6.4062 6.4062 6.7373 6.7373 6.9868 6.9868 7.0967 7.0967 7.2336 7.2336 7.7295 7.7295 7.7416 7.7416 7.7864 7.7864 7.9942 7.9942 8.0913 8.0913 8.4026 8.4026 8.6652 8.6652 9.2440 9.2440 9.3377 9.3377 10.4875 10.4875 10.6410 10.6410 11.0927 11.0927 k = 0.4405 0.5046-0.0000 ( 7542 PWs) bands (ev): 0.1747 0.1747 0.3959 0.3959 0.5433 0.5433 1.8888 1.8888 1.9752 1.9752 2.0209 2.0209 2.1626 2.1626 2.1699 2.1699 2.3247 2.3247 2.7583 2.7583 3.5839 3.5839 4.1386 4.1386 5.9043 5.9043 5.9916 5.9916 6.4337 6.4337 6.7739 6.7739 6.9943 6.9943 7.0952 7.0952 7.2293 7.2293 7.7349 7.7349 7.7509 7.7509 7.7975 7.7975 8.0577 8.0577 8.0883 8.0883 8.3875 8.3875 8.6589 8.6589 9.1547 9.1547 9.3364 9.3364 10.4103 10.4103 10.7625 10.7625 11.0998 11.0998 k = 0.4405 0.5046-0.0000 ( 7542 PWs) bands (ev): 0.1747 0.1747 0.3959 0.3959 0.5433 0.5433 1.8888 1.8888 1.9752 1.9752 2.0209 2.0209 2.1626 2.1626 2.1699 2.1699 2.3247 2.3247 2.7583 2.7583 3.5839 3.5839 4.1386 4.1386 5.9043 5.9043 5.9916 5.9916 6.4337 6.4337 6.7739 6.7739 6.9943 6.9943 7.0952 7.0952 7.2293 7.2293 7.7349 7.7349 7.7509 7.7509 7.7975 7.7975 8.0577 8.0577 8.0883 8.0883 8.3875 8.3875 8.6589 8.6589 9.1547 9.1547 9.3364 9.3364 10.4103 10.4103 10.7625 10.7625 11.0998 11.0998 k = 0.4253 0.5046-0.0000 ( 7533 PWs) bands (ev): 0.1298 0.1298 0.3847 0.3847 0.5470 0.5470 1.9097 1.9097 1.9338 1.9338 2.0115 2.0115 2.1690 2.1690 2.1894 2.1894 2.3357 2.3357 2.7533 2.7533 3.6731 3.6731 4.2228 4.2228 5.9099 5.9099 5.9944 5.9944 6.4171 6.4171 6.7508 6.7508 6.9889 6.9889 7.0959 7.0959 7.2321 7.2321 7.7311 7.7311 7.7449 7.7449 7.7901 7.7901 8.0146 8.0146 8.0885 8.0885 8.3986 8.3986 8.6622 8.6622 9.2135 9.2135 9.3417 9.3417 10.4586 10.4586 10.6628 10.6628 11.1080 11.1080 k = 0.4101 0.5046-0.0000 ( 7535 PWs) bands (ev): 0.0697 0.0697 0.3302 0.3302 0.6161 0.6161 1.8389 1.8389 1.9329 1.9329 1.9600 1.9600 2.2020 2.2020 2.2698 2.2698 2.3367 2.3367 2.7797 2.7797 3.7645 3.7645 4.3105 4.3105 5.9143 5.9143 5.9945 5.9945 6.4002 6.4002 6.7264 6.7264 6.9821 6.9821 7.0960 7.0960 7.2343 7.2343 7.7258 7.7258 7.7369 7.7369 7.7811 7.7811 7.9699 7.9699 8.0863 8.0863 8.4119 8.4119 8.6662 8.6662 9.2748 9.2748 9.3562 9.3562 10.5094 10.5094 10.5315 10.5315 11.1308 11.1308 k = 0.3949 0.5046-0.0000 ( 7537 PWs) bands (ev): 0.0059 0.0059 0.2647 0.2647 0.7070 0.7070 1.7697 1.7697 1.8961 1.8961 1.9017 1.9017 2.2449 2.2449 2.3411 2.3411 2.3651 2.3651 2.8345 2.8345 3.8582 3.8582 4.4013 4.4013 5.9172 5.9172 5.9919 5.9919 6.3835 6.3835 6.7010 6.7010 6.9737 6.9737 7.0954 7.0954 7.2355 7.2355 7.7180 7.7180 7.7271 7.7271 7.7707 7.7707 7.9248 7.9248 8.0825 8.0825 8.4250 8.4250 8.6704 8.6704 9.3382 9.3382 9.3802 9.3802 10.3858 10.3858 10.5617 10.5617 11.1598 11.1598 k = 0.3797 0.5046-0.0000 ( 7539 PWs) bands (ev): -0.0580 -0.0580 0.1981 0.1981 0.8060 0.8060 1.7028 1.7028 1.8378 1.8378 1.8513 1.8513 2.2357 2.2357 2.4012 2.4012 2.4650 2.4650 2.9089 2.9089 3.9538 3.9538 4.4946 4.4946 5.9186 5.9186 5.9868 5.9868 6.3673 6.3673 6.6748 6.6748 6.9637 6.9637 7.0940 7.0940 7.2355 7.2355 7.7061 7.7061 7.7159 7.7159 7.7594 7.7594 7.8802 7.8802 8.0779 8.0779 8.4358 8.4358 8.6743 8.6743 9.4004 9.4004 9.4163 9.4163 10.2370 10.2370 10.6130 10.6130 11.1895 11.1895 k = 0.3646 0.5046-0.0000 ( 7535 PWs) bands (ev): -0.1207 -0.1207 0.1327 0.1327 0.9094 0.9094 1.6383 1.6383 1.7782 1.7782 1.7997 1.7997 2.1963 2.1963 2.4919 2.4919 2.5687 2.5687 2.9958 2.9958 4.0514 4.0514 4.5902 4.5902 5.9183 5.9183 5.9792 5.9792 6.3521 6.3521 6.6481 6.6481 6.9522 6.9522 7.0919 7.0919 7.2341 7.2341 7.6891 7.6891 7.7034 7.7034 7.7477 7.7477 7.8364 7.8364 8.0733 8.0733 8.4425 8.4425 8.6777 8.6777 9.4487 9.4487 9.4761 9.4761 10.0920 10.0920 10.6593 10.6593 11.2129 11.2129 k = 0.3494 0.5046-0.0000 ( 7544 PWs) bands (ev): -0.1815 -0.1815 0.0692 0.0692 1.0153 1.0153 1.5762 1.5762 1.7203 1.7203 1.7485 1.7485 2.1490 2.1490 2.5920 2.5920 2.6753 2.6753 3.0908 3.0908 4.1507 4.1507 4.6875 4.6875 5.9162 5.9162 5.9693 5.9693 6.3381 6.3381 6.6211 6.6211 6.9388 6.9388 7.0889 7.0889 7.2307 7.2307 7.6674 7.6674 7.6879 7.6879 7.7361 7.7361 7.7935 7.7935 8.0692 8.0692 8.4430 8.4430 8.6805 8.6805 9.4973 9.4973 9.5435 9.5435 9.9568 9.9568 10.6919 10.6919 11.2059 11.2059 k = 0.3342 0.5046-0.0000 ( 7548 PWs) bands (ev): -0.2403 -0.2403 0.0079 0.0079 1.1221 1.1221 1.5167 1.5167 1.6645 1.6645 1.6998 1.6998 2.0997 2.0997 2.6970 2.6970 2.7845 2.7845 3.1915 3.1915 4.2517 4.2517 4.7865 4.7865 5.9122 5.9122 5.9574 5.9574 6.3257 6.3257 6.5939 6.5939 6.9233 6.9233 7.0847 7.0847 7.2250 7.2250 7.6415 7.6415 7.6686 7.6686 7.7246 7.7246 7.7518 7.7518 8.0659 8.0659 8.4353 8.4353 8.6826 8.6826 9.5516 9.5516 9.6080 9.6080 9.8395 9.8395 10.6922 10.6922 11.1202 11.1203 k = 0.3190 0.5046-0.0000 ( 7550 PWs) bands (ev): -0.2968 -0.2968 -0.0509 -0.0509 1.2272 1.2272 1.4597 1.4597 1.6108 1.6108 1.6565 1.6565 2.0506 2.0506 2.8054 2.8054 2.8961 2.8961 3.2967 3.2967 4.3542 4.3542 4.8865 4.8865 5.9060 5.9060 5.9437 5.9437 6.3152 6.3152 6.5666 6.5666 6.9053 6.9053 7.0792 7.0792 7.2165 7.2165 7.6122 7.6122 7.6446 7.6446 7.7101 7.7101 7.7142 7.7142 8.0636 8.0636 8.4179 8.4179 8.6840 8.6840 9.6072 9.6072 9.6446 9.6446 9.7711 9.7711 10.6379 10.6379 10.9843 10.9843 k = 0.3038 0.5046-0.0000 ( 7550 PWs) bands (ev): -0.3509 -0.3509 -0.1072 -0.1072 1.3240 1.3240 1.4053 1.4053 1.5596 1.5596 1.6244 1.6244 2.0036 2.0036 2.9163 2.9163 3.0100 3.0100 3.4053 3.4053 4.4581 4.4581 4.9874 4.9874 5.8977 5.8977 5.9286 5.9286 6.3068 6.3068 6.5394 6.5394 6.8842 6.8842 7.0720 7.0720 7.2047 7.2047 7.5797 7.5797 7.6160 7.6160 7.6720 7.6720 7.7010 7.7010 8.0623 8.0623 8.3900 8.3900 8.6848 8.6848 9.5822 9.5822 9.6835 9.6835 9.8034 9.8034 10.5327 10.5327 10.8352 10.8352 k = 0.2886 0.5046-0.0000 ( 7537 PWs) bands (ev): -0.4025 -0.4025 -0.1609 -0.1609 1.3535 1.3535 1.3943 1.3943 1.5107 1.5107 1.6204 1.6204 1.9609 1.9609 3.0295 3.0295 3.1260 3.1260 3.5170 3.5170 4.5631 4.5631 5.0885 5.0885 5.8870 5.8870 5.9125 5.9125 6.3005 6.3005 6.5121 6.5121 6.8593 6.8593 7.0626 7.0626 7.1890 7.1890 7.5447 7.5447 7.5833 7.5833 7.6342 7.6342 7.6879 7.6879 8.0619 8.0619 8.3521 8.3521 8.6851 8.6851 9.5126 9.5126 9.7516 9.7516 9.8714 9.8714 10.4018 10.4018 10.6848 10.6848 k = 0.2734 0.5046-0.0000 ( 7539 PWs) bands (ev): -0.4516 -0.4516 -0.2120 -0.2120 1.3042 1.3042 1.4136 1.4136 1.4642 1.4642 1.6644 1.6644 1.9275 1.9275 3.1446 3.1446 3.2442 3.2442 3.6312 3.6312 4.6691 4.6691 5.1896 5.1896 5.8736 5.8736 5.8962 5.8962 6.2963 6.2963 6.4846 6.4846 6.8296 6.8296 7.0501 7.0501 7.1692 7.1692 7.5073 7.5073 7.5477 7.5477 7.5969 7.5969 7.6737 7.6737 8.0624 8.0624 8.3059 8.3059 8.6848 8.6848 9.4499 9.4499 9.8231 9.8231 9.9438 9.9438 10.2631 10.2631 10.5387 10.5387 k = 0.2582 0.5046-0.0000 ( 7545 PWs) bands (ev): -0.4982 -0.4982 -0.2604 -0.2604 1.2576 1.2576 1.3960 1.3960 1.4204 1.4204 1.7251 1.7251 1.9206 1.9206 3.2613 3.2613 3.3644 3.3644 3.7477 3.7477 4.7758 4.7758 5.2897 5.2897 5.8570 5.8570 5.8804 5.8804 6.2942 6.2942 6.4564 6.4564 6.7940 6.7940 7.0333 7.0333 7.1462 7.1462 7.4676 7.4676 7.5103 7.5103 7.5601 7.5601 7.6584 7.6584 8.0636 8.0636 8.2543 8.2543 8.6841 8.6841 9.3959 9.3959 9.8926 9.8926 10.0108 10.0108 10.1280 10.1280 10.4011 10.4011 k = 0.2430 0.5046-0.0000 ( 7544 PWs) bands (ev): -0.5422 -0.5422 -0.3061 -0.3061 1.2136 1.2136 1.3658 1.3658 1.3791 1.3791 1.7454 1.7454 1.9733 1.9733 3.3795 3.3795 3.4866 3.4866 3.8661 3.8661 4.8829 4.8829 5.3882 5.3882 5.8375 5.8375 5.8654 5.8654 6.2940 6.2940 6.4267 6.4267 6.7517 6.7517 7.0109 7.0109 7.1215 7.1215 7.4244 7.4244 7.4718 7.4718 7.5252 7.5252 7.6419 7.6419 8.0656 8.0656 8.2000 8.2000 8.6829 8.6829 9.3477 9.3477 9.9246 9.9246 10.0317 10.0317 10.0577 10.0577 10.2792 10.2792 k = 0.2278 0.5046-0.0000 ( 7546 PWs) bands (ev): -0.5836 -0.5836 -0.3492 -0.3492 1.1723 1.1723 1.3321 1.3321 1.3406 1.3406 1.7277 1.7277 2.0740 2.0740 3.4988 3.4988 3.6107 3.6107 3.9864 3.9864 4.9900 4.9900 5.4835 5.4835 5.8160 5.8160 5.8509 5.8509 6.2954 6.2954 6.3940 6.3940 6.7030 6.7030 6.9819 6.9819 7.0973 7.0973 7.3752 7.3752 7.4329 7.4329 7.4944 7.4944 7.6245 7.6245 8.0684 8.0684 8.1455 8.1455 8.6814 8.6814 9.3015 9.3015 9.8292 9.8292 10.0413 10.0413 10.0679 10.0679 10.1895 10.1895 k = 0.2127 0.5046-0.0000 ( 7544 PWs) bands (ev): -0.6224 -0.6224 -0.3895 -0.3895 1.1336 1.1336 1.2980 1.2980 1.3050 1.3050 1.6985 1.6985 2.1932 2.1932 3.6190 3.6190 3.7365 3.7365 4.1081 4.1081 5.0966 5.0966 5.5729 5.5729 5.7940 5.7940 5.8370 5.8370 6.2982 6.2982 6.3558 6.3558 6.6505 6.6505 6.9473 6.9473 7.0741 7.0741 7.3178 7.3178 7.3943 7.3943 7.4690 7.4690 7.6062 7.6062 8.0714 8.0714 8.0925 8.0925 8.6794 8.6794 9.2540 9.2540 9.7077 9.7077 9.9583 9.9583 10.1135 10.1135 10.1354 10.1354 k = 0.1975 0.5046-0.0000 ( 7538 PWs) bands (ev): -0.6585 -0.6585 -0.4271 -0.4271 1.0975 1.0975 1.2650 1.2650 1.2719 1.2719 1.6670 1.6670 2.3203 2.3203 3.7399 3.7399 3.8640 3.8640 4.2311 4.2311 5.2021 5.2021 5.6475 5.6475 5.7787 5.7787 5.8239 5.8239 6.2969 6.2969 6.3134 6.3134 6.5999 6.5999 6.9083 6.9083 7.0514 7.0514 7.2514 7.2514 7.3563 7.3563 7.4490 7.4490 7.5874 7.5874 8.0394 8.0394 8.0772 8.0772 8.6770 8.6770 9.2033 9.2033 9.5893 9.5893 9.8522 9.8522 10.0542 10.0542 10.1734 10.1734 k = 0.1823 0.5046-0.0000 ( 7536 PWs) bands (ev): -0.6920 -0.6920 -0.4619 -0.4619 1.0641 1.0641 1.2338 1.2338 1.2412 1.2412 1.6360 1.6360 2.4522 2.4522 3.8609 3.8609 3.9931 3.9931 4.3551 4.3551 5.3056 5.3056 5.6758 5.6758 5.7972 5.7972 5.8128 5.8128 6.2447 6.2447 6.3111 6.3111 6.5580 6.5580 6.8663 6.8663 7.0280 7.0280 7.1763 7.1763 7.3189 7.3189 7.4335 7.4335 7.5683 7.5683 7.9894 7.9894 8.0824 8.0824 8.6741 8.6741 9.1493 9.1493 9.4769 9.4769 9.7430 9.7430 9.9951 9.9951 10.1912 10.1912 k = 0.1671 0.5046-0.0000 ( 7531 PWs) bands (ev): -0.7229 -0.7229 -0.4940 -0.4940 1.0333 1.0333 1.2049 1.2049 1.2128 1.2128 1.6065 1.6065 2.5872 2.5872 3.9816 3.9816 4.1236 4.1236 4.4796 4.4796 5.4057 5.4057 5.6516 5.6516 5.8006 5.8006 5.8544 5.8544 6.1746 6.1746 6.3179 6.3179 6.5292 6.5292 6.8215 6.8215 7.0027 7.0027 7.0934 7.0934 7.2819 7.2819 7.4218 7.4218 7.5493 7.5493 7.9406 7.9406 8.0889 8.0889 8.6703 8.6703 9.0937 9.0937 9.3713 9.3713 9.6364 9.6364 9.9484 9.9484 10.1738 10.1738 k = 0.1519 0.5046-0.0000 ( 7523 PWs) bands (ev): -0.7511 -0.7511 -0.5233 -0.5233 1.0052 1.0052 1.1783 1.1783 1.1867 1.1867 1.5791 1.5791 2.7246 2.7246 4.1015 4.1015 4.2554 4.2554 4.6044 4.6044 5.5000 5.5000 5.6042 5.6042 5.7938 5.7938 5.9065 5.9065 6.1049 6.1049 6.3261 6.3261 6.5142 6.5142 6.7736 6.7736 6.9743 6.9743 7.0042 7.0042 7.2450 7.2450 7.4134 7.4134 7.5306 7.5306 7.8931 7.8931 8.0968 8.0968 8.6656 8.6656 9.0392 9.0392 9.2725 9.2725 9.5351 9.5351 9.9142 9.9142 10.1260 10.1260 k = 0.1367 0.5046-0.0000 ( 7521 PWs) bands (ev): -0.7766 -0.7766 -0.5499 -0.5499 0.9798 0.9798 1.1543 1.1543 1.1630 1.1630 1.5539 1.5539 2.8639 2.8639 4.2196 4.2196 4.3882 4.3882 4.7289 4.7289 5.5395 5.5395 5.5842 5.5842 5.7939 5.7939 5.9259 5.9259 6.0620 6.0620 6.3354 6.3354 6.5113 6.5113 6.7223 6.7223 6.9073 6.9073 6.9453 6.9453 7.2082 7.2082 7.4078 7.4078 7.5125 7.5125 7.8468 7.8468 8.1062 8.1062 8.6595 8.6595 8.9884 8.9884 9.1808 9.1808 9.4412 9.4412 9.8904 9.8904 10.0607 10.0607 k = 0.1215 0.5046-0.0000 ( 7518 PWs) bands (ev): -0.7994 -0.7994 -0.5737 -0.5737 0.9570 0.9570 1.1327 1.1327 1.1417 1.1417 1.5312 1.5312 3.0046 3.0046 4.3349 4.3349 4.5219 4.5219 4.8523 4.8523 5.4583 5.4583 5.6472 5.6472 5.8097 5.8097 5.8932 5.8932 6.0683 6.0683 6.3449 6.3449 6.5178 6.5178 6.6680 6.6680 6.8094 6.8094 6.9115 6.9115 7.1714 7.1714 7.4049 7.4049 7.4950 7.4950 7.8025 7.8025 8.1175 8.1175 8.6512 8.6512 8.9437 8.9437 9.0963 9.0963 9.3558 9.3558 9.8747 9.8747 9.9896 9.9896 k = 0.1063 0.5046-0.0000 ( 7516 PWs) bands (ev): -0.8196 -0.8196 -0.5947 -0.5947 0.9369 0.9369 1.1136 1.1136 1.1229 1.1229 1.5110 1.5110 3.1460 3.1460 4.4455 4.4455 4.6560 4.6560 4.9733 4.9733 5.3624 5.3624 5.6788 5.6788 5.8421 5.8421 5.8510 5.8510 6.0907 6.0907 6.3526 6.3526 6.5277 6.5277 6.6134 6.6134 6.7122 6.7122 6.8762 6.8762 7.1343 7.1343 7.4045 7.4045 7.4783 7.4783 7.7610 7.7610 8.1308 8.1308 8.6398 8.6398 8.9062 8.9062 9.0199 9.0199 9.2800 9.2800 9.8647 9.8647 9.9202 9.9202 k = 0.0911 0.5046-0.0000 ( 7522 PWs) bands (ev): -0.8371 -0.8371 -0.6129 -0.6129 0.9195 0.9195 1.0970 1.0970 1.1065 1.1065 1.4935 1.4935 3.2876 3.2876 4.5480 4.5480 4.7901 4.7901 5.0887 5.0887 5.2599 5.2599 5.6868 5.6868 5.7957 5.7957 5.9037 5.9037 6.1101 6.1101 6.3523 6.3523 6.5162 6.5162 6.5786 6.5786 6.6251 6.6251 6.8415 6.8415 7.0970 7.0970 7.4063 7.4063 7.4626 7.4626 7.7232 7.7232 8.1464 8.1464 8.6237 8.6237 8.8765 8.8765 8.9534 8.9534 9.2140 9.2140 9.8507 9.8507 9.8652 9.8652 k = 0.0759 0.5046-0.0000 ( 7518 PWs) bands (ev): -0.8519 -0.8519 -0.6283 -0.6283 0.9047 0.9047 1.0830 1.0830 1.0926 1.0926 1.4785 1.4785 3.4281 3.4281 4.6353 4.6353 4.9237 4.9237 5.1348 5.1348 5.2228 5.2228 5.6841 5.6841 5.7534 5.7534 5.9542 5.9542 6.1239 6.1239 6.3292 6.3292 6.4626 6.4626 6.5628 6.5628 6.5832 6.5832 6.8112 6.8112 7.0597 7.0597 7.4102 7.4102 7.4482 7.4482 7.6900 7.6900 8.1645 8.1645 8.6015 8.6015 8.8535 8.8535 8.8994 8.8994 9.1583 9.1583 9.7985 9.7985 9.8600 9.8600 k = 0.0608 0.5046-0.0000 ( 7515 PWs) bands (ev): -0.8640 -0.8640 -0.6409 -0.6409 0.8927 0.8927 1.0716 1.0716 1.0813 1.0813 1.4663 1.4663 3.5659 3.5659 4.6902 4.6902 5.0556 5.0556 5.0613 5.0613 5.3179 5.3179 5.6756 5.6756 5.7167 5.7167 5.9906 5.9906 6.1331 6.1331 6.2750 6.2750 6.3970 6.3970 6.5472 6.5472 6.5849 6.5849 6.7900 6.7900 7.0228 7.0228 7.4153 7.4153 7.4355 7.4355 7.6620 7.6620 8.1849 8.1849 8.5724 8.5724 8.8343 8.8343 8.8615 8.8615 9.1128 9.1128 9.7523 9.7523 9.8612 9.8612 k = 0.0456 0.5046-0.0000 ( 7527 PWs) bands (ev): -0.8735 -0.8735 -0.6507 -0.6507 0.8833 0.8833 1.0626 1.0626 1.0724 1.0724 1.4567 1.4567 3.6974 3.6974 4.6840 4.6840 5.0315 5.0315 5.1849 5.1849 5.4060 5.4060 5.6613 5.6613 5.6886 5.6886 6.0014 6.0014 6.1392 6.1392 6.2142 6.2142 6.3298 6.3298 6.5598 6.5598 6.5788 6.5788 6.7804 6.7804 6.9874 6.9874 7.4200 7.4200 7.4261 7.4261 7.6397 7.6397 8.2071 8.2071 8.5382 8.5382 8.8151 8.8151 8.8422 8.8422 9.0775 9.0775 9.7160 9.7160 9.8647 9.8647 k = 0.0304 0.5046-0.0000 ( 7531 PWs) bands (ev): -0.8802 -0.8802 -0.6577 -0.6577 0.8766 0.8766 1.0563 1.0563 1.0661 1.0661 1.4499 1.4499 3.8160 3.8160 4.6222 4.6222 5.0511 5.0511 5.3087 5.3087 5.4673 5.4673 5.6375 5.6375 5.6766 5.6766 5.9778 5.9778 6.1436 6.1436 6.1783 6.1783 6.2672 6.2672 6.5662 6.5662 6.5835 6.5835 6.7792 6.7792 6.9562 6.9562 7.4158 7.4158 7.4278 7.4278 7.6233 7.6233 8.2291 8.2291 8.5040 8.5040 8.7998 8.7998 8.8343 8.8343 9.0524 9.0524 9.6899 9.6899 9.8695 9.8695 k = 0.0152 0.5046-0.0000 ( 7529 PWs) bands (ev): -0.8842 -0.8842 -0.6619 -0.6619 0.8725 0.8725 1.0524 1.0524 1.0623 1.0623 1.4458 1.4458 3.9067 3.9067 4.5534 4.5534 5.0805 5.0805 5.4224 5.4224 5.4929 5.4929 5.5943 5.5943 5.6852 5.6852 5.9397 5.9397 6.1486 6.1486 6.1677 6.1677 6.2181 6.2181 6.5559 6.5559 6.6035 6.6035 6.7810 6.7810 6.9336 6.9336 7.4111 7.4111 7.4316 7.4316 7.6132 7.6132 8.2470 8.2470 8.4772 8.4772 8.7909 8.7909 8.8311 8.8311 9.0373 9.0373 9.6743 9.6743 9.8740 9.8740 k = 0.0000 0.5046-0.0000 ( 7530 PWs) bands (ev): -0.8856 -0.8856 -0.6633 -0.6633 0.8712 0.8712 1.0511 1.0511 1.0610 1.0610 1.4444 1.4444 3.9429 3.9429 4.5229 4.5229 5.0931 5.0931 5.4960 5.4960 5.5078 5.5078 5.5359 5.5359 5.6934 5.6934 5.9224 5.9224 6.1533 6.1533 6.1651 6.1651 6.1974 6.1974 6.5518 6.5518 6.6115 6.6115 6.7820 6.7820 6.9250 6.9250 7.4095 7.4095 7.4330 7.4330 7.6098 7.6098 8.2542 8.2542 8.4667 8.4667 8.7880 8.7880 8.8302 8.8302 9.0323 9.0323 9.6691 9.6691 9.8759 9.8759 k = 0.0000 0.5046-0.0000 ( 7530 PWs) bands (ev): -0.8856 -0.8856 -0.6633 -0.6633 0.8712 0.8712 1.0511 1.0511 1.0610 1.0610 1.4444 1.4444 3.9429 3.9429 4.5229 4.5229 5.0931 5.0931 5.4960 5.4960 5.5078 5.5078 5.5359 5.5359 5.6934 5.6934 5.9224 5.9224 6.1533 6.1533 6.1651 6.1651 6.1974 6.1974 6.5518 6.5518 6.6115 6.6115 6.7820 6.7820 6.9250 6.9250 7.4095 7.4095 7.4330 7.4330 7.6098 7.6098 8.2542 8.2542 8.4667 8.4667 8.7880 8.7880 8.8302 8.8302 9.0323 9.0323 9.6691 9.6691 9.8759 9.8759 k = 0.0000 0.5046 0.0156 ( 7530 PWs) bands (ev): -0.8842 -0.8842 -0.6619 -0.6619 0.8292 0.8292 1.0288 1.0288 1.1044 1.1044 1.4705 1.4705 3.9439 3.9439 4.5241 4.5241 5.0895 5.0895 5.4315 5.4315 5.5304 5.5304 5.5582 5.5582 5.6962 5.6962 5.8827 5.8827 6.1102 6.1102 6.2051 6.2051 6.2424 6.2424 6.5215 6.5215 6.6395 6.6395 6.7829 6.7829 6.9259 6.9259 7.4113 7.4113 7.4321 7.4321 7.6149 7.6149 8.2605 8.2605 8.4687 8.4687 8.7919 8.7919 8.8333 8.8333 9.0337 9.0337 9.6719 9.6719 9.8805 9.8805 k = 0.0000 0.5046 0.0312 ( 7530 PWs) bands (ev): -0.8800 -0.8800 -0.6576 -0.6576 0.7493 0.7493 0.9709 0.9709 1.1923 1.1923 1.5361 1.5361 3.9467 3.9467 4.5274 4.5274 5.0781 5.0781 5.3505 5.3505 5.5199 5.5199 5.5864 5.5864 5.6877 5.6877 5.8296 5.8296 6.0571 6.0571 6.2483 6.2483 6.3322 6.3322 6.4746 6.4746 6.6803 6.6803 6.7863 6.7863 6.9286 6.9286 7.4151 7.4151 7.4303 7.4303 7.6303 7.6303 8.2788 8.2788 8.4748 8.4748 8.8037 8.8037 8.8427 8.8427 9.0379 9.0379 9.6806 9.6806 9.8943 9.8943 k = 0.0000 0.5046 0.0468 ( 7526 PWs) bands (ev): -0.8730 -0.8730 -0.6505 -0.6505 0.6625 0.6625 0.8969 0.8969 1.2925 1.2925 1.6225 1.6225 3.9514 3.9514 4.5331 4.5331 5.0584 5.0584 5.2598 5.2598 5.5027 5.5027 5.5638 5.5638 5.6543 5.6543 5.8387 5.8387 5.9993 5.9993 6.2887 6.2887 6.4251 6.4251 6.4325 6.4325 6.7166 6.7166 6.7949 6.7949 6.9331 6.9331 7.4163 7.4163 7.4303 7.4303 7.6555 7.6555 8.3077 8.3077 8.4850 8.4850 8.8237 8.8237 8.8586 8.8586 9.0450 9.0450 9.6948 9.6948 9.9177 9.9177 k = 0.0000 0.5046 0.0624 ( 7528 PWs) bands (ev): -0.8632 -0.8632 -0.6405 -0.6405 0.5754 0.5754 0.8168 0.8168 1.3985 1.3985 1.7200 1.7200 3.9576 3.9576 4.5409 4.5409 5.0291 5.0291 5.1591 5.1591 5.4724 5.4724 5.4850 5.4850 5.6490 5.6490 5.8813 5.8813 5.9386 5.9386 6.3210 6.3210 6.3999 6.3999 6.5099 6.5099 6.7462 6.7462 6.8131 6.8131 6.9399 6.9399 7.4129 7.4129 7.4329 7.4329 7.6889 7.6889 8.3451 8.3451 8.4995 8.4995 8.8518 8.8518 8.8823 8.8823 9.0551 9.0551 9.7144 9.7144 9.9511 9.9511 k = 0.0000 0.5046 0.0780 ( 7520 PWs) bands (ev): -0.8506 -0.8506 -0.6278 -0.6278 0.4897 0.4897 0.7348 0.7348 1.5084 1.5084 1.8242 1.8242 3.9653 3.9653 4.5508 4.5508 4.9892 4.9892 5.0474 5.0474 5.3764 5.3764 5.4545 5.4545 5.6529 5.6529 5.8769 5.8769 5.9307 5.9307 6.3232 6.3232 6.4045 6.4045 6.5733 6.5733 6.7694 6.7694 6.8436 6.8436 6.9509 6.9509 7.4079 7.4079 7.4350 7.4350 7.7269 7.7269 8.3880 8.3880 8.5183 8.5183 8.8850 8.8850 8.9181 8.9181 9.0685 9.0685 9.7392 9.7392 9.9950 9.9950 k = 0.0000 0.5046 0.0936 ( 7532 PWs) bands (ev): -0.8352 -0.8352 -0.6123 -0.6123 0.4063 0.4063 0.6531 0.6531 1.6216 1.6216 1.9332 1.9332 3.9739 3.9739 4.5626 4.5626 4.9227 4.9227 4.9402 4.9402 5.2810 5.2810 5.4233 5.4233 5.6582 5.6582 5.8199 5.8199 5.9766 5.9766 6.3012 6.3012 6.4378 6.4378 6.6157 6.6157 6.7878 6.7878 6.8793 6.8793 6.9729 6.9729 7.4033 7.4033 7.4355 7.4355 7.7657 7.7657 8.4330 8.4330 8.5413 8.5413 8.9190 8.9190 8.9710 8.9710 9.0861 9.0861 9.7683 9.7683 10.0496 10.0496 k = 0.0000 0.5046 0.1092 ( 7536 PWs) bands (ev): -0.8170 -0.8170 -0.5941 -0.5941 0.3253 0.3253 0.5725 0.5725 1.7377 1.7377 2.0458 2.0458 3.9828 3.9828 4.5757 4.5757 4.7927 4.7927 4.8769 4.8769 5.1928 5.1928 5.3882 5.3882 5.6639 5.6639 5.7703 5.7703 6.0168 6.0168 6.2765 6.2765 6.4772 6.4772 6.6438 6.6438 6.8024 6.8024 6.9040 6.9040 7.0146 7.0146 7.4004 7.4004 7.4347 7.4347 7.8017 7.8017 8.4770 8.4770 8.5680 8.5680 8.9544 8.9544 9.0375 9.0375 9.1118 9.1118 9.8007 9.8007 10.1147 10.1147 k = 0.0000 0.5046 0.1248 ( 7548 PWs) bands (ev): -0.7961 -0.7961 -0.5733 -0.5733 0.2472 0.2472 0.4937 0.4937 1.8565 1.8565 2.1613 2.1613 3.9909 3.9909 4.5841 4.5841 4.6612 4.6612 4.8051 4.8051 5.1115 5.1115 5.3490 5.3490 5.6699 5.6699 5.7306 5.7306 6.0492 6.0492 6.2531 6.2531 6.5173 6.5173 6.6653 6.6653 6.8141 6.8141 6.9156 6.9156 7.0702 7.0702 7.4001 7.4001 7.4332 7.4332 7.8322 7.8322 8.5180 8.5180 8.5975 8.5975 8.9924 8.9924 9.0958 9.0958 9.1663 9.1663 9.8346 9.8346 10.1884 10.1884 k = 0.0000 0.5046 0.1404 ( 7552 PWs) bands (ev): -0.7725 -0.7725 -0.5499 -0.5499 0.1720 0.1720 0.4171 0.4171 1.9780 1.9780 2.2794 2.2794 3.9965 3.9965 4.4987 4.4987 4.6208 4.6208 4.7266 4.7266 5.0363 5.0363 5.3062 5.3062 5.6760 5.6760 5.7017 5.7017 6.0733 6.0733 6.2313 6.2313 6.5567 6.5567 6.6851 6.6851 6.8235 6.8235 6.9204 6.9204 7.1275 7.1275 7.4026 7.4026 7.4329 7.4329 7.8557 7.8557 8.5550 8.5550 8.6287 8.6287 9.0337 9.0337 9.1303 9.1303 9.2630 9.2630 9.8672 9.8672 10.2636 10.2636 k = 0.0000 0.5046 0.1560 ( 7554 PWs) bands (ev): -0.7462 -0.7462 -0.5243 -0.5243 0.1001 0.1001 0.3428 0.3428 2.1020 2.1020 2.3998 2.3998 3.9967 3.9967 4.3555 4.3555 4.6360 4.6360 4.6467 4.6467 4.9665 4.9665 5.2608 5.2608 5.6815 5.6815 5.6829 5.6829 6.0894 6.0894 6.2110 6.2110 6.5948 6.5948 6.7051 6.7051 6.8310 6.8310 6.9217 6.9217 7.1794 7.1794 7.4055 7.4055 7.4385 7.4385 7.8715 7.8715 8.5880 8.5880 8.6597 8.6597 9.0788 9.0788 9.1597 9.1597 9.3803 9.3803 9.8936 9.8936 10.3160 10.3160 k = 0.0000 0.5046 0.1716 ( 7552 PWs) bands (ev): -0.7172 -0.7172 -0.4968 -0.4968 0.0319 0.0319 0.2711 0.2711 2.2285 2.2285 2.5221 2.5221 3.9870 3.9870 4.2079 4.2079 4.5693 4.5693 4.6565 4.6565 4.9024 4.9024 5.2139 5.2139 5.6715 5.6715 5.6874 5.6874 6.0987 6.0987 6.1920 6.1920 6.6311 6.6311 6.7253 6.7253 6.8371 6.8371 6.9206 6.9206 7.2224 7.2224 7.4047 7.4047 7.4561 7.4561 7.8794 7.8794 8.6176 8.6176 8.6887 8.6887 9.1282 9.1282 9.1902 9.1902 9.5073 9.5073 9.9065 9.9065 10.3273 10.3273 k = 0.0000 0.5046 0.1872 ( 7564 PWs) bands (ev): -0.6857 -0.6857 -0.4681 -0.4681 -0.0319 -0.0319 0.2022 0.2022 2.3573 2.3573 2.6459 2.6459 3.9609 3.9609 4.0592 4.0592 4.5054 4.5054 4.6749 4.6749 4.8458 4.8458 5.1666 5.1666 5.6668 5.6668 5.6922 5.6922 6.1028 6.1028 6.1744 6.1744 6.6652 6.6652 6.7450 6.7450 6.8419 6.8419 6.9173 6.9173 7.2554 7.2554 7.4004 7.4004 7.4860 7.4860 7.8798 7.8798 8.6444 8.6444 8.7141 8.7141 9.1819 9.1819 9.2239 9.2239 9.6359 9.6359 9.8968 9.8968 10.3126 10.3126 k = 0.0000 0.5046 0.2028 ( 7560 PWs) bands (ev): -0.6517 -0.6517 -0.4395 -0.4395 -0.0900 -0.0900 0.1362 0.1362 2.4884 2.4884 2.7711 2.7711 3.9084 3.9084 3.9146 3.9146 4.4614 4.4614 4.6847 4.6847 4.8039 4.8039 5.1197 5.1197 5.6666 5.6666 5.6960 5.6960 6.1035 6.1035 6.1582 6.1582 6.6969 6.6969 6.7632 6.7632 6.8458 6.8458 6.9120 6.9120 7.2799 7.2799 7.3942 7.3942 7.5249 7.5249 7.8729 7.8729 8.6686 8.6686 8.7344 8.7344 9.2376 9.2376 9.2640 9.2640 9.7541 9.7541 9.8614 9.8614 10.3092 10.3092 k = 0.0000 0.5046 0.2184 ( 7552 PWs) bands (ev): -0.6153 -0.6153 -0.4139 -0.4139 -0.1395 -0.1395 0.0734 0.0734 2.6218 2.6218 2.8972 2.8972 3.7620 3.7620 3.8405 3.8405 4.4404 4.4404 4.6701 4.6701 4.7920 4.7920 5.0738 5.0738 5.6696 5.6696 5.6985 5.6985 6.1025 6.1025 6.1436 6.1436 6.7257 6.7257 6.7789 6.7789 6.8489 6.8489 6.9049 6.9049 7.2987 7.2987 7.3870 7.3870 7.5689 7.5689 7.8592 7.8592 8.6905 8.6905 8.7491 8.7491 9.2867 9.2867 9.3186 9.3186 9.8059 9.8059 9.8427 9.8427 10.3213 10.3213 k = 0.0000 0.5046 0.2340 ( 7558 PWs) bands (ev): -0.5769 -0.5769 -0.3974 -0.3974 -0.1742 -0.1742 0.0140 0.0140 2.7573 2.7573 3.0234 3.0234 3.6151 3.6151 3.7482 3.7482 4.4397 4.4397 4.6336 4.6336 4.8080 4.8080 5.0291 5.0291 5.6745 5.6745 5.6994 5.6994 6.1012 6.1012 6.1308 6.1308 6.7512 6.7512 6.7914 6.7914 6.8517 6.8517 6.8962 6.8962 7.3140 7.3140 7.3788 7.3788 7.6149 7.6149 7.8390 7.8390 8.7102 8.7102 8.7579 8.7579 9.3312 9.3312 9.3833 9.3833 9.7469 9.7469 9.8711 9.8711 10.3270 10.3270 k = 0.0000 0.5046 0.2496 ( 7564 PWs) bands (ev): -0.5369 -0.5369 -0.3992 -0.3992 -0.1850 -0.1850 -0.0414 -0.0414 2.8946 2.8946 3.1486 3.1486 3.4704 3.4704 3.6420 3.6420 4.4540 4.4540 4.5910 4.5910 4.8358 4.8358 4.9860 4.9860 5.6804 5.6804 5.6986 5.6986 6.1007 6.1007 6.1201 6.1201 6.7727 6.7727 6.7997 6.7997 6.8549 6.8549 6.8862 6.8862 7.3272 7.3272 7.3700 7.3700 7.6606 7.6606 7.8129 7.8129 8.7273 8.7273 8.7610 8.7610 9.3768 9.3768 9.4445 9.4445 9.6955 9.6955 9.8404 9.8404 10.3476 10.3476 k = 0.0000 0.5046 0.2652 ( 7560 PWs) bands (ev): -0.4961 -0.4961 -0.4215 -0.4215 -0.1696 -0.1696 -0.0921 -0.0921 3.0336 3.0336 3.2586 3.2586 3.3416 3.3416 3.5272 3.5272 4.4789 4.4789 4.5494 4.5494 4.8691 4.8691 4.9448 4.9448 5.6864 5.6864 5.6960 5.6960 6.1021 6.1021 6.1116 6.1116 6.7892 6.7892 6.8027 6.8027 6.8595 6.8595 6.8760 6.8760 7.3391 7.3391 7.3604 7.3604 7.7044 7.7044 7.7814 7.7814 8.7415 8.7415 8.7589 8.7589 9.4231 9.4231 9.4788 9.4788 9.6775 9.6775 9.7788 9.7788 10.3722 10.3722 k = 0.0000 0.5046 0.2808 ( 7556 PWs) bands (ev): -0.4564 -0.4564 -0.4563 -0.4563 -0.1361 -0.1361 -0.1361 -0.1361 3.1724 3.1724 3.1724 3.1724 3.4089 3.4089 3.4089 3.4089 4.5114 4.5114 4.5115 4.5115 4.9056 4.9056 4.9057 4.9057 5.6918 5.6918 5.6918 5.6918 6.1056 6.1056 6.1056 6.1056 6.7994 6.7994 6.7994 6.7994 6.8666 6.8666 6.8667 6.8667 7.3502 7.3502 7.3502 7.3502 7.7450 7.7450 7.7450 7.7450 8.7522 8.7522 8.7522 8.7522 9.4640 9.4640 9.4640 9.4640 9.7142 9.7142 9.7142 9.7142 10.3847 10.3847 k = 0.0000 0.5046 0.2808 ( 7556 PWs) bands (ev): -0.4564 -0.4564 -0.4563 -0.4563 -0.1361 -0.1361 -0.1361 -0.1361 3.1724 3.1724 3.1724 3.1724 3.4089 3.4089 3.4089 3.4089 4.5114 4.5114 4.5115 4.5115 4.9056 4.9056 4.9057 4.9057 5.6918 5.6918 5.6918 5.6918 6.1056 6.1056 6.1056 6.1056 6.7994 6.7994 6.7994 6.7994 6.8666 6.8666 6.8667 6.8667 7.3502 7.3502 7.3502 7.3502 7.7450 7.7450 7.7450 7.7450 8.7522 8.7522 8.7522 8.7522 9.4640 9.4640 9.4640 9.4640 9.7142 9.7142 9.7142 9.7142 10.3847 10.3847 k = 0.0152 0.5046 0.2808 ( 7562 PWs) bands (ev): -0.4550 -0.4550 -0.4549 -0.4549 -0.1348 -0.1348 -0.1347 -0.1347 3.1733 3.1733 3.1735 3.1735 3.4093 3.4093 3.4094 3.4094 4.4606 4.4606 4.4613 4.4613 4.9562 4.9562 4.9575 4.9575 5.6641 5.6641 5.6643 5.6643 6.1276 6.1276 6.1277 6.1277 6.7810 6.7810 6.7855 6.7855 6.8774 6.8774 6.8819 6.8819 7.3492 7.3492 7.3512 7.3512 7.7452 7.7452 7.7463 7.7463 8.7524 8.7524 8.7567 8.7567 9.4417 9.4417 9.4495 9.4495 9.7351 9.7351 9.7390 9.7390 10.3749 10.3749 k = 0.0304 0.5046 0.2808 ( 7568 PWs) bands (ev): -0.4510 -0.4510 -0.4508 -0.4508 -0.1307 -0.1307 -0.1306 -0.1306 3.1763 3.1763 3.1766 3.1766 3.4105 3.4105 3.4106 3.4106 4.3504 4.3504 4.3512 4.3512 5.0675 5.0675 5.0695 5.0695 5.5949 5.5949 5.5952 5.5952 6.1797 6.1797 6.1801 6.1801 6.7479 6.7479 6.7533 6.7533 6.9006 6.9006 6.9060 6.9060 7.3484 7.3484 7.3522 7.3522 7.7470 7.7470 7.7492 7.7492 8.7571 8.7571 8.7655 8.7655 9.3983 9.3983 9.4112 9.4112 9.7878 9.7878 9.7929 9.7929 10.3499 10.3499 k = 0.0456 0.5046 0.2808 ( 7562 PWs) bands (ev): -0.4443 -0.4443 -0.4440 -0.4440 -0.1239 -0.1239 -0.1237 -0.1237 3.1812 3.1812 3.1817 3.1817 3.4122 3.4122 3.4122 3.4122 4.2217 4.2217 4.2224 4.2224 5.1967 5.1967 5.1994 5.1994 5.5058 5.5058 5.5062 5.5062 6.2407 6.2407 6.2413 6.2413 6.7112 6.7112 6.7164 6.7164 6.9246 6.9246 6.9299 6.9299 7.3479 7.3479 7.3534 7.3534 7.7503 7.7503 7.7534 7.7534 8.7654 8.7654 8.7777 8.7777 9.3516 9.3516 9.3680 9.3680 9.8503 9.8503 9.8550 9.8550 10.3190 10.3190 k = 0.0608 0.5046 0.2808 ( 7556 PWs) bands (ev): -0.4349 -0.4349 -0.4345 -0.4345 -0.1144 -0.1144 -0.1141 -0.1141 3.1878 3.1878 3.1884 3.1884 3.4134 3.4134 3.4135 3.4135 4.0890 4.0890 4.0894 4.0894 5.3089 5.3089 5.3113 5.3113 5.4294 5.4294 5.4297 5.4297 6.2958 6.2958 6.2964 6.2964 6.6769 6.6769 6.6814 6.6814 6.9468 6.9468 6.9516 6.9516 7.3480 7.3480 7.3549 7.3549 7.7549 7.7549 7.7589 7.7589 8.7759 8.7759 8.7917 8.7917 9.3102 9.3102 9.3292 9.3292 9.9059 9.9059 9.9096 9.9096 10.2965 10.2965 k = 0.0759 0.5046 0.2808 ( 7556 PWs) bands (ev): -0.4228 -0.4228 -0.4223 -0.4223 -0.1021 -0.1021 -0.1017 -0.1017 3.1954 3.1954 3.1963 3.1963 3.4128 3.4128 3.4129 3.4129 3.9588 3.9588 3.9588 3.9588 5.2640 5.2640 5.2640 5.2640 5.5047 5.5047 5.5079 5.5079 6.3329 6.3329 6.3332 6.3332 6.6528 6.6528 6.6555 6.6555 6.9671 6.9671 6.9711 6.9711 7.3491 7.3491 7.3571 7.3571 7.7607 7.7607 7.7654 7.7654 8.7871 8.7871 8.8052 8.8052 9.2781 9.2781 9.2987 9.2987 9.9394 9.9394 9.9416 9.9416 10.2996 10.2996 k = 0.0911 0.5046 0.2808 ( 7556 PWs) bands (ev): -0.4080 -0.4080 -0.4074 -0.4074 -0.0871 -0.0871 -0.0866 -0.0866 3.2028 3.2028 3.2041 3.2041 3.4073 3.4073 3.4074 3.4074 3.8368 3.8368 3.8372 3.8372 5.1553 5.1553 5.1556 5.1556 5.6384 5.6384 5.6426 5.6426 6.3405 6.3405 6.3414 6.3414 6.6472 6.6472 6.6474 6.6474 6.9859 6.9859 6.9887 6.9887 7.3516 7.3516 7.3605 7.3605 7.7673 7.7673 7.7727 7.7727 8.7969 8.7969 8.8160 8.8160 9.2572 9.2572 9.2779 9.2779 9.9451 9.9451 9.9458 9.9458 10.3369 10.3369 k = 0.1063 0.5046 0.2808 ( 7556 PWs) bands (ev): -0.3905 -0.3905 -0.3899 -0.3899 -0.0693 -0.0693 -0.0688 -0.0688 3.2065 3.2065 3.2084 3.2084 3.3919 3.3919 3.3923 3.3923 3.7324 3.7324 3.7333 3.7333 5.0396 5.0396 5.0400 5.0400 5.7731 5.7731 5.7781 5.7781 6.3177 6.3177 6.3199 6.3199 6.6572 6.6572 6.6608 6.6608 7.0038 7.0038 7.0051 7.0051 7.3559 7.3559 7.3655 7.3655 7.7745 7.7745 7.7805 7.7805 8.8041 8.8041 8.8222 8.8222 9.2469 9.2469 9.2657 9.2657 9.9348 9.9348 9.9356 9.9356 10.3993 10.3993 k = 0.1215 0.5046 0.2808 ( 7554 PWs) bands (ev): -0.3703 -0.3703 -0.3696 -0.3696 -0.0489 -0.0489 -0.0483 -0.0483 3.1963 3.1963 3.1991 3.1991 3.3647 3.3647 3.3656 3.3656 3.6582 3.6582 3.6595 3.6595 4.9219 4.9219 4.9224 4.9224 5.9003 5.9003 5.9061 5.9061 6.2765 6.2765 6.2799 6.2799 6.6760 6.6760 6.6831 6.6831 7.0210 7.0210 7.0215 7.0215 7.3627 7.3627 7.3728 7.3728 7.7821 7.7821 7.7886 7.7886 8.8084 8.8084 8.8236 8.8236 9.2440 9.2440 9.2589 9.2589 9.9265 9.9265 9.9285 9.9285 10.4738 10.4738 k = 0.1367 0.5046 0.2808 ( 7562 PWs) bands (ev): -0.3474 -0.3474 -0.3466 -0.3466 -0.0257 -0.0257 -0.0250 -0.0250 3.1510 3.1510 3.1543 3.1543 3.3426 3.3426 3.3440 3.3440 3.6192 3.6192 3.6206 3.6206 4.8039 4.8039 4.8044 4.8044 6.0055 6.0055 6.0112 6.0112 6.2382 6.2382 6.2436 6.2436 6.6942 6.6942 6.7048 6.7048 7.0374 7.0374 7.0396 7.0396 7.3724 7.3724 7.3828 7.3828 7.7898 7.7898 7.7969 7.7969 8.8101 8.8101 8.8208 8.8208 9.2437 9.2437 9.2532 9.2532 9.9336 9.9336 9.9368 9.9368 10.5515 10.5515 k = 0.1519 0.5046 0.2808 ( 7566 PWs) bands (ev): -0.3219 -0.3219 -0.3210 -0.3210 0.0002 0.0002 0.0010 0.0010 3.0636 3.0636 3.0666 3.0666 3.3426 3.3426 3.3437 3.3437 3.6057 3.6057 3.6070 3.6070 4.6867 4.6867 4.6873 4.6873 6.0417 6.0417 6.0451 6.0451 6.2526 6.2526 6.2626 6.2626 6.7069 6.7069 6.7209 6.7209 7.0547 7.0547 7.0583 7.0583 7.3852 7.3852 7.3959 7.3959 7.7974 7.7974 7.8051 7.8051 8.8096 8.8096 8.8152 8.8152 9.2426 9.2426 9.2461 9.2461 9.9632 9.9632 9.9676 9.9676 10.6279 10.6279 k = 0.1671 0.5046 0.2808 ( 7558 PWs) bands (ev): -0.2937 -0.2937 -0.2927 -0.2927 0.0288 0.0288 0.0296 0.0296 2.9523 2.9523 2.9548 2.9548 3.3573 3.3573 3.3582 3.3582 3.6055 3.6055 3.6068 3.6068 4.5717 4.5717 4.5723 4.5723 5.9975 5.9975 5.9998 5.9998 6.3316 6.3316 6.3455 6.3455 6.7129 6.7129 6.7302 6.7302 7.0733 7.0733 7.0777 7.0777 7.4015 7.4015 7.4123 7.4123 7.8048 7.8048 7.8131 7.8131 8.8069 8.8069 8.8070 8.8070 9.2386 9.2386 9.2410 9.2410 10.0175 10.0175 10.0226 10.0226 10.7003 10.7003 k = 0.1823 0.5046 0.2808 ( 7552 PWs) bands (ev): -0.2628 -0.2628 -0.2617 -0.2617 0.0601 0.0601 0.0610 0.0610 2.8308 2.8308 2.8329 2.8329 3.3795 3.3795 3.3801 3.3801 3.6113 3.6113 3.6125 3.6125 4.4601 4.4601 4.4608 4.4608 5.9248 5.9248 5.9269 5.9269 6.4210 6.4210 6.4386 6.4386 6.7140 6.7140 6.7346 6.7346 7.0932 7.0932 7.0974 7.0974 7.4209 7.4209 7.4319 7.4319 7.8118 7.8118 7.8208 7.8208 8.7957 8.7957 8.8008 8.8008 9.2356 9.2356 9.2429 9.2429 10.0947 10.0947 10.1001 10.1001 10.7681 10.7681 k = 0.1975 0.5046 0.2808 ( 7550 PWs) bands (ev): -0.2292 -0.2292 -0.2281 -0.2281 0.0940 0.0940 0.0950 0.0950 2.7051 2.7051 2.7070 2.7070 3.4062 3.4062 3.4067 3.4067 3.6182 3.6182 3.6195 3.6195 4.3540 4.3540 4.3547 4.3547 5.8425 5.8425 5.8444 5.8444 6.4963 6.4963 6.5173 6.5173 6.7170 6.7170 6.7398 6.7398 7.1140 7.1140 7.1173 7.1173 7.4432 7.4432 7.4542 7.4542 7.8184 7.8184 7.8280 7.8280 8.7801 8.7801 8.7892 8.7892 9.2432 9.2432 9.2541 9.2541 10.1913 10.1913 10.1966 10.1966 10.8312 10.8313 k = 0.2127 0.5046 0.2808 ( 7554 PWs) bands (ev): -0.1930 -0.1930 -0.1918 -0.1918 0.1306 0.1306 0.1317 0.1317 2.5781 2.5781 2.5798 2.5798 3.4358 3.4358 3.4362 3.4362 3.6225 3.6225 3.6236 3.6236 4.2564 4.2564 4.2572 4.2572 5.7553 5.7553 5.7571 5.7571 6.5430 6.5430 6.5627 6.5627 6.7366 6.7366 6.7563 6.7563 7.1355 7.1355 7.1373 7.1373 7.4677 7.4677 7.4788 7.4788 7.8246 7.8246 7.8347 7.8347 8.7590 8.7590 8.7708 8.7708 9.2673 9.2673 9.2801 9.2801 10.3035 10.3035 10.3084 10.3084 10.8904 10.8904 k = 0.2278 0.5046 0.2808 ( 7552 PWs) bands (ev): -0.1542 -0.1542 -0.1529 -0.1529 0.1699 0.1699 0.1710 0.1710 2.4512 2.4512 2.4526 2.4526 3.4669 3.4669 3.4675 3.4675 3.6198 3.6198 3.6206 3.6206 4.1719 4.1719 4.1727 4.1727 5.6653 5.6653 5.6669 5.6669 6.5538 6.5538 6.5666 6.5666 6.7798 6.7798 6.7903 6.7903 7.1575 7.1575 7.1576 7.1576 7.4936 7.4936 7.5049 7.5049 7.8302 7.8302 7.8408 7.8408 8.7325 8.7325 8.7454 8.7454 9.3109 9.3109 9.3242 9.3242 10.4278 10.4278 10.4323 10.4323 10.9467 10.9478 k = 0.2430 0.5046 0.2808 ( 7560 PWs) bands (ev): -0.1128 -0.1128 -0.1114 -0.1114 0.2118 0.2118 0.2130 0.2130 2.3251 2.3251 2.3264 2.3264 3.4957 3.4957 3.4969 3.4969 3.6073 3.6073 3.6073 3.6073 4.1065 4.1065 4.1072 4.1072 5.5734 5.5734 5.5750 5.5750 6.5377 6.5377 6.5445 6.5445 6.8310 6.8310 6.8334 6.8334 7.1779 7.1779 7.1799 7.1799 7.5201 7.5201 7.5316 7.5316 7.8353 7.8353 7.8463 7.8463 8.7019 8.7019 8.7147 8.7147 9.3748 9.3748 9.3874 9.3874 10.5612 10.5612 10.5651 10.5651 11.0011 11.0011 k = 0.2582 0.5046 0.2808 ( 7558 PWs) bands (ev): -0.0688 -0.0688 -0.0674 -0.0674 0.2563 0.2563 0.2575 0.2575 2.2004 2.2004 2.2016 2.2016 3.5056 3.5056 3.5080 3.5080 3.5947 3.5947 3.5962 3.5962 4.0654 4.0654 4.0658 4.0658 5.4806 5.4806 5.4820 5.4820 6.5059 6.5059 6.5093 6.5093 6.8755 6.8755 6.8785 6.8785 7.1985 7.1985 7.2021 7.2021 7.5463 7.5463 7.5579 7.5579 7.8399 7.8399 7.8511 7.8511 8.6686 8.6686 8.6807 8.6807 9.4581 9.4581 9.4694 9.4694 10.7005 10.7005 10.7040 10.7040 11.0552 11.0552 k = 0.2734 0.5046 0.2808 ( 7562 PWs) bands (ev): -0.0222 -0.0222 -0.0207 -0.0207 0.3033 0.3033 0.3046 0.3046 2.0774 2.0774 2.0786 2.0786 3.4675 3.4675 3.4697 3.4697 3.6132 3.6132 3.6149 3.6149 4.0489 4.0489 4.0490 4.0490 5.3873 5.3873 5.3886 5.3886 6.4646 6.4646 6.4661 6.4661 6.9123 6.9123 6.9185 6.9185 7.2191 7.2191 7.2238 7.2238 7.5714 7.5714 7.5831 7.5831 7.8441 7.8441 7.8552 7.8552 8.6343 8.6343 8.6452 8.6452 9.5592 9.5592 9.5690 9.5690 10.8419 10.8419 10.8451 10.8451 11.1111 11.1129 k = 0.2886 0.5046 0.2808 ( 7562 PWs) bands (ev): 0.0269 0.0269 0.0285 0.0285 0.3529 0.3529 0.3543 0.3543 1.9565 1.9565 1.9575 1.9575 3.3967 3.3967 3.3983 3.3983 3.6511 3.6511 3.6526 3.6526 4.0522 4.0522 4.0524 4.0524 5.2941 5.2941 5.2953 5.2953 6.4168 6.4168 6.4173 6.4173 6.9429 6.9429 6.9510 6.9510 7.2391 7.2391 7.2445 7.2445 7.5949 7.5949 7.6065 7.6065 7.8479 7.8479 7.8587 7.8587 8.6001 8.6001 8.6098 8.6098 9.6762 9.6762 9.6845 9.6845 10.9786 10.9786 10.9816 10.9816 11.1735 11.1736 k = 0.3038 0.5046 0.2808 ( 7562 PWs) bands (ev): 0.0786 0.0786 0.0802 0.0802 0.4049 0.4049 0.4064 0.4064 1.8378 1.8378 1.8387 1.8387 3.3111 3.3111 3.3123 3.3123 3.6955 3.6955 3.6970 3.6970 4.0694 4.0694 4.0699 4.0699 5.2015 5.2015 5.2025 5.2025 6.3641 6.3641 6.3641 6.3641 6.9679 6.9679 6.9767 6.9767 7.2582 7.2582 7.2638 7.2638 7.6164 7.6164 7.6277 7.6277 7.8512 7.8512 7.8616 7.8616 8.5670 8.5670 8.5754 8.5754 9.8072 9.8072 9.8142 9.8142 11.0968 11.0968 11.0995 11.0995 11.2539 11.2540 k = 0.3190 0.5046 0.2808 ( 7564 PWs) bands (ev): 0.1326 0.1326 0.1343 0.1343 0.4593 0.4593 0.4608 0.4608 1.7215 1.7215 1.7224 1.7224 3.2180 3.2180 3.2189 3.2189 3.7438 3.7438 3.7452 3.7452 4.0959 4.0959 4.0966 4.0966 5.1100 5.1100 5.1109 5.1109 6.3073 6.3073 6.3076 6.3076 6.9880 6.9880 6.9969 6.9969 7.2760 7.2760 7.2813 7.2813 7.6356 7.6356 7.6464 7.6464 7.8544 7.8544 7.8639 7.8639 8.5355 8.5355 8.5426 8.5426 9.9503 9.9503 9.9562 9.9562 11.1835 11.1835 11.1853 11.1853 11.3616 11.3630 k = 0.3342 0.5046 0.2808 ( 7552 PWs) bands (ev): 0.1891 0.1891 0.1908 0.1908 0.5159 0.5159 0.5175 0.5175 1.6081 1.6081 1.6088 1.6088 3.1212 3.1212 3.1219 3.1219 3.7950 3.7950 3.7964 3.7964 4.1283 4.1283 4.1293 4.1293 5.0202 5.0202 5.0210 5.0210 6.2477 6.2477 6.2482 6.2482 7.0043 7.0043 7.0127 7.0127 7.2921 7.2921 7.2970 7.2970 7.6527 7.6527 7.6627 7.6627 7.8573 7.8573 7.8659 7.8659 8.5059 8.5059 8.5119 8.5119 10.1037 10.1037 10.1085 10.1085 11.2479 11.2479 11.2488 11.2488 11.4800 11.4804 k = 0.3494 0.5046 0.2808 ( 7552 PWs) bands (ev): 0.2477 0.2477 0.2495 0.2495 0.5745 0.5745 0.5762 0.5762 1.4977 1.4977 1.4983 1.4983 3.0228 3.0228 3.0234 3.0234 3.8488 3.8488 3.8503 3.8503 4.1641 4.1641 4.1653 4.1653 4.9331 4.9331 4.9338 4.9338 6.1858 6.1858 6.1863 6.1863 7.0174 7.0174 7.0250 7.0250 7.3064 7.3064 7.3107 7.3107 7.6677 7.6677 7.6768 7.6768 7.8599 7.8599 7.8675 7.8675 8.4784 8.4784 8.4832 8.4832 10.2654 10.2654 10.2692 10.2692 11.3028 11.3028 11.3032 11.3032 11.5847 11.5872 k = 0.3646 0.5046 0.2808 ( 7552 PWs) bands (ev): 0.3084 0.3084 0.3102 0.3102 0.6347 0.6347 0.6365 0.6365 1.3911 1.3911 1.3916 1.3916 2.9242 2.9242 2.9247 2.9247 3.9051 3.9051 3.9066 3.9066 4.2012 4.2012 4.2026 4.2026 4.8501 4.8501 4.8505 4.8505 6.1222 6.1222 6.1227 6.1227 7.0278 7.0278 7.0344 7.0344 7.3189 7.3189 7.3225 7.3225 7.6809 7.6809 7.6887 7.6887 7.8625 7.8625 7.8689 7.8689 8.4530 8.4530 8.4568 8.4568 10.4333 10.4333 10.4363 10.4363 11.3532 11.3532 11.3533 11.3533 11.6581 11.6583 k = 0.3797 0.5046 0.2808 ( 7552 PWs) bands (ev): 0.3709 0.3709 0.3726 0.3726 0.6957 0.6957 0.6975 0.6975 1.2895 1.2895 1.2897 1.2897 2.8260 2.8260 2.8264 2.8264 3.9637 3.9637 3.9652 3.9652 4.2364 4.2364 4.2381 4.2381 4.7733 4.7733 4.7736 4.7736 6.0574 6.0574 6.0577 6.0577 7.0361 7.0361 7.0415 7.0415 7.3296 7.3296 7.3325 7.3325 7.6923 7.6923 7.6987 7.6987 7.8650 7.8650 7.8702 7.8702 8.4297 8.4297 8.4325 8.4325 10.6049 10.6049 10.6072 10.6072 11.4004 11.4004 11.4005 11.4005 11.6922 11.6927 k = 0.3949 0.5046 0.2808 ( 7550 PWs) bands (ev): 0.4344 0.4344 0.4360 0.4360 0.7556 0.7556 0.7576 0.7576 1.1952 1.1952 1.1953 1.1953 2.7290 2.7290 2.7293 2.7293 4.0244 4.0244 4.0261 4.0261 4.2653 4.2653 4.2671 4.2671 4.7072 4.7072 4.7073 4.7073 5.9917 5.9917 5.9920 5.9920 7.0425 7.0425 7.0466 7.0466 7.3386 7.3386 7.3408 7.3408 7.7023 7.7023 7.7072 7.7072 7.8675 7.8675 7.8714 7.8714 8.4084 8.4084 8.4104 8.4104 10.7770 10.7770 10.7786 10.7786 11.4441 11.4441 11.4443 11.4443 11.6964 11.6968 k = 0.4101 0.5046 0.2808 ( 7544 PWs) bands (ev): 0.4976 0.4976 0.4990 0.4990 0.8093 0.8093 0.8114 0.8114 1.1145 1.1145 1.1149 1.1149 2.6334 2.6334 2.6336 2.6336 4.0873 4.0873 4.0889 4.0889 4.2801 4.2801 4.2821 4.2821 4.6591 4.6591 4.6592 4.6592 5.9257 5.9257 5.9259 5.9259 7.0472 7.0472 7.0500 7.0500 7.3460 7.3460 7.3474 7.3474 7.7110 7.7110 7.7144 7.7144 7.8701 7.8701 7.8726 7.8726 8.3889 8.3889 8.3902 8.3902 10.9433 10.9433 10.9443 10.9443 11.4828 11.4828 11.4831 11.4831 11.6892 11.6894 k = 0.4253 0.5046 0.2808 ( 7540 PWs) bands (ev): 0.5570 0.5570 0.5580 0.5580 0.8428 0.8428 0.8445 0.8445 1.0656 1.0656 1.0662 1.0662 2.5397 2.5397 2.5398 2.5398 4.1516 4.1516 4.1532 4.1532 4.2722 4.2722 4.2741 4.2741 4.6380 4.6380 4.6382 4.6382 5.8598 5.8598 5.8599 5.8599 7.0505 7.0505 7.0519 7.0519 7.3518 7.3518 7.3525 7.3525 7.7186 7.7186 7.7203 7.7203 7.8727 7.8727 7.8739 7.8739 8.3712 8.3712 8.3718 8.3718 11.0920 11.0920 11.0924 11.0924 11.5151 11.5151 11.5153 11.5153 11.6913 11.6913 k = 0.4405 0.5046 0.2808 ( 7548 PWs) bands (ev): 0.6023 0.6023 0.6024 0.6024 0.8423 0.8423 0.8424 0.8424 1.0732 1.0732 1.0732 1.0732 2.4481 2.4481 2.4481 2.4481 4.2102 4.2102 4.2102 4.2102 4.2477 4.2477 4.2477 4.2477 4.6464 4.6464 4.6464 4.6464 5.7944 5.7944 5.7944 5.7944 7.0525 7.0525 7.0525 7.0525 7.3561 7.3561 7.3561 7.3561 7.7253 7.7253 7.7253 7.7253 7.8754 7.8754 7.8754 7.8754 8.3550 8.3550 8.3550 8.3550 11.1994 11.1994 11.1995 11.1995 11.5456 11.5456 11.5456 11.5456 11.7235 11.7236 k = 0.4405 0.5046 0.2808 ( 7548 PWs) bands (ev): 0.6023 0.6023 0.6024 0.6024 0.8423 0.8423 0.8424 0.8424 1.0732 1.0732 1.0732 1.0732 2.4481 2.4481 2.4481 2.4481 4.2102 4.2102 4.2102 4.2102 4.2477 4.2477 4.2477 4.2477 4.6464 4.6464 4.6464 4.6464 5.7944 5.7944 5.7944 5.7944 7.0525 7.0525 7.0525 7.0525 7.3561 7.3561 7.3561 7.3561 7.7253 7.7253 7.7253 7.7253 7.8754 7.8754 7.8754 7.8754 8.3550 8.3550 8.3550 8.3550 11.1994 11.1994 11.1995 11.1995 11.5456 11.5456 11.5456 11.5456 11.7235 11.7236 k = 0.4303 0.4929 0.2808 ( 7538 PWs) bands (ev): 0.5457 0.5457 0.5458 0.5458 0.8597 0.8597 0.8597 0.8597 1.0313 1.0313 1.0314 1.0314 2.5902 2.5902 2.5902 2.5902 4.1542 4.1542 4.1542 4.1542 4.2628 4.2628 4.2628 4.2628 4.6228 4.6228 4.6228 4.6228 5.8953 5.8953 5.8953 5.8953 7.0514 7.0514 7.0514 7.0514 7.3506 7.3506 7.3506 7.3506 7.7163 7.7163 7.7163 7.7163 7.8717 7.8717 7.8717 7.8717 8.3819 8.3819 8.3820 8.3820 11.0772 11.0772 11.0772 11.0772 11.4932 11.4932 11.4932 11.4932 11.6404 11.6404 k = 0.4200 0.4812 0.2808 ( 7542 PWs) bands (ev): 0.4729 0.4729 0.4730 0.4730 0.8797 0.8797 0.8798 0.8798 1.0105 1.0105 1.0106 1.0106 2.7337 2.7337 2.7337 2.7337 4.0858 4.0858 4.0858 4.0858 4.2804 4.2804 4.2804 4.2804 4.6155 4.6155 4.6155 4.6155 5.9946 5.9946 5.9946 5.9946 7.0499 7.0499 7.0499 7.0499 7.3443 7.3443 7.3443 7.3443 7.7063 7.7063 7.7063 7.7063 7.8674 7.8674 7.8674 7.8674 8.4141 8.4141 8.4141 8.4141 10.9512 10.9512 10.9512 10.9512 11.4387 11.4387 11.4387 11.4387 11.5575 11.5576 k = 0.4098 0.4694 0.2808 ( 7548 PWs) bands (ev): 0.3886 0.3886 0.3886 0.3886 0.9025 0.9025 0.9026 0.9026 1.0062 1.0062 1.0062 1.0062 2.8781 2.8781 2.8781 2.8781 4.0096 4.0096 4.0096 4.0096 4.3003 4.3003 4.3003 4.3003 4.6211 4.6211 4.6211 4.6211 6.0912 6.0912 6.0912 6.0912 7.0480 7.0480 7.0480 7.0480 7.3372 7.3372 7.3372 7.3372 7.6953 7.6953 7.6953 7.6953 7.8626 7.8626 7.8626 7.8626 8.4518 8.4518 8.4518 8.4518 10.8223 10.8223 10.8223 10.8223 11.3832 11.3832 11.3832 11.3832 11.4756 11.4756 k = 0.3995 0.4577 0.2808 ( 7548 PWs) bands (ev): 0.2973 0.2973 0.2974 0.2974 0.9281 0.9281 0.9281 0.9281 1.0138 1.0138 1.0138 1.0138 3.0223 3.0223 3.0223 3.0223 3.9296 3.9296 3.9296 3.9296 4.3226 4.3226 4.3226 4.3226 4.6366 4.6366 4.6366 4.6366 6.1840 6.1840 6.1841 6.1841 7.0457 7.0457 7.0457 7.0457 7.3292 7.3292 7.3292 7.3292 7.6835 7.6835 7.6835 7.6835 7.8572 7.8572 7.8572 7.8572 8.4955 8.4955 8.4955 8.4955 10.6908 10.6908 10.6909 10.6909 11.3270 11.3270 11.3270 11.3270 11.3949 11.3950 k = 0.3893 0.4459 0.2808 ( 7544 PWs) bands (ev): 0.2026 0.2026 0.2027 0.2027 0.9564 0.9564 0.9564 0.9564 1.0300 1.0300 1.0301 1.0301 3.1646 3.1646 3.1646 3.1646 3.8496 3.8496 3.8496 3.8496 4.3473 4.3473 4.3473 4.3473 4.6599 4.6599 4.6599 4.6599 6.2723 6.2723 6.2723 6.2723 7.0427 7.0427 7.0427 7.0427 7.3204 7.3204 7.3204 7.3204 7.6712 7.6712 7.6712 7.6712 7.8512 7.8512 7.8512 7.8512 8.5456 8.5456 8.5456 8.5456 10.5572 10.5572 10.5573 10.5573 11.2700 11.2700 11.2700 11.2700 11.3165 11.3166 k = 0.3790 0.4342 0.2808 ( 7544 PWs) bands (ev): 0.1066 0.1066 0.1066 0.1066 0.9874 0.9874 0.9874 0.9874 1.0528 1.0528 1.0529 1.0529 3.3007 3.3007 3.3007 3.3007 3.7751 3.7751 3.7751 3.7751 4.3742 4.3742 4.3743 4.3743 4.6900 4.6900 4.6900 4.6900 6.3549 6.3549 6.3549 6.3549 7.0390 7.0390 7.0390 7.0390 7.3108 7.3108 7.3108 7.3108 7.6584 7.6584 7.6584 7.6584 7.8446 7.8446 7.8446 7.8446 8.6025 8.6025 8.6025 8.6025 10.4216 10.4216 10.4216 10.4216 11.2096 11.2096 11.2096 11.2096 11.2431 11.2431 k = 0.3688 0.4225 0.2808 ( 7560 PWs) bands (ev): 0.0105 0.0105 0.0105 0.0105 1.0211 1.0211 1.0212 1.0212 1.0809 1.0809 1.0809 1.0809 3.4157 3.4157 3.4158 3.4158 3.7215 3.7215 3.7215 3.7215 4.4035 4.4035 4.4035 4.4035 4.7262 4.7262 4.7262 4.7262 6.4313 6.4313 6.4313 6.4313 7.0344 7.0344 7.0344 7.0344 7.3003 7.3003 7.3003 7.3003 7.6453 7.6453 7.6453 7.6453 7.8375 7.8375 7.8375 7.8375 8.6664 8.6664 8.6664 8.6664 10.2842 10.2842 10.2842 10.2842 11.1403 11.1403 11.1403 11.1403 11.1799 11.1800 k = 0.3585 0.4107 0.2808 ( 7574 PWs) bands (ev): -0.0848 -0.0848 -0.0848 -0.0848 1.0576 1.0576 1.0576 1.0576 1.1134 1.1134 1.1135 1.1135 3.4633 3.4633 3.4633 3.4633 3.7353 3.7353 3.7353 3.7353 4.4350 4.4350 4.4351 4.4351 4.7683 4.7683 4.7683 4.7683 6.5005 6.5005 6.5005 6.5005 7.0288 7.0288 7.0288 7.0288 7.2891 7.2891 7.2891 7.2891 7.6323 7.6323 7.6323 7.6323 7.8298 7.8298 7.8299 7.8299 8.7373 8.7373 8.7374 8.7374 10.1452 10.1452 10.1452 10.1452 11.0632 11.0632 11.0632 11.0632 11.1251 11.1251 k = 0.3483 0.3990 0.2808 ( 7584 PWs) bands (ev): -0.1787 -0.1787 -0.1786 -0.1786 1.0967 1.0967 1.0968 1.0968 1.1499 1.1499 1.1499 1.1499 3.4275 3.4275 3.4275 3.4275 3.8320 3.8320 3.8321 3.8321 4.4688 4.4688 4.4688 4.4688 4.8167 4.8167 4.8167 4.8167 6.5621 6.5621 6.5621 6.5621 7.0219 7.0219 7.0219 7.0219 7.2771 7.2771 7.2771 7.2771 7.6194 7.6194 7.6194 7.6194 7.8216 7.8216 7.8216 7.8216 8.8153 8.8153 8.8153 8.8153 10.0050 10.0050 10.0050 10.0050 10.9809 10.9809 10.9809 10.9809 11.0740 11.0740 k = 0.3381 0.3873 0.2808 ( 7576 PWs) bands (ev): -0.2708 -0.2708 -0.2708 -0.2708 1.1386 1.1386 1.1387 1.1387 1.1899 1.1899 1.1900 1.1900 3.3608 3.3608 3.3609 3.3609 3.9585 3.9585 3.9585 3.9585 4.5048 4.5048 4.5048 4.5048 4.8716 4.8716 4.8716 4.8716 6.6157 6.6157 6.6157 6.6157 7.0134 7.0134 7.0134 7.0134 7.2644 7.2644 7.2644 7.2644 7.6071 7.6071 7.6071 7.6071 7.8129 7.8129 7.8129 7.8129 8.9000 8.9000 8.9000 8.9000 9.8639 9.8639 9.8639 9.8639 10.8919 10.8919 10.8919 10.8919 11.0251 11.0251 k = 0.3278 0.3755 0.2808 ( 7564 PWs) bands (ev): -0.3610 -0.3610 -0.3610 -0.3610 1.1832 1.1832 1.1832 1.1832 1.2333 1.2333 1.2334 1.2334 3.2865 3.2865 3.2865 3.2865 4.0905 4.0905 4.0906 4.0906 4.5429 4.5429 4.5429 4.5429 4.9339 4.9339 4.9339 4.9339 6.6609 6.6609 6.6609 6.6609 7.0032 7.0032 7.0032 7.0032 7.2510 7.2510 7.2510 7.2510 7.5954 7.5954 7.5954 7.5954 7.8037 7.8037 7.8037 7.8037 8.9904 8.9904 8.9904 8.9904 9.7225 9.7225 9.7225 9.7225 10.7926 10.7926 10.7926 10.7926 10.9773 10.9773 k = 0.3176 0.3638 0.2808 ( 7566 PWs) bands (ev): -0.4490 -0.4490 -0.4490 -0.4490 1.2305 1.2305 1.2305 1.2305 1.2798 1.2798 1.2798 1.2798 3.2106 3.2106 3.2106 3.2106 4.2210 4.2210 4.2210 4.2210 4.5832 4.5832 4.5832 4.5832 5.0042 5.0042 5.0042 5.0042 6.6975 6.6975 6.6975 6.6975 6.9906 6.9906 6.9906 6.9906 7.2369 7.2369 7.2369 7.2369 7.5847 7.5847 7.5847 7.5847 7.7939 7.7939 7.7939 7.7939 9.0855 9.0855 9.0855 9.0855 9.5813 9.5813 9.5814 9.5814 10.6809 10.6809 10.6809 10.6809 10.9286 10.9286 k = 0.3073 0.3521 0.2808 ( 7558 PWs) bands (ev): -0.5347 -0.5347 -0.5346 -0.5346 1.2804 1.2804 1.2805 1.2805 1.3293 1.3293 1.3293 1.3293 3.1352 3.1352 3.1352 3.1352 4.3465 4.3465 4.3466 4.3466 4.6255 4.6255 4.6255 4.6255 5.0834 5.0834 5.0834 5.0834 6.7256 6.7256 6.7256 6.7256 6.9755 6.9755 6.9755 6.9755 7.2223 7.2223 7.2223 7.2223 7.5754 7.5754 7.5754 7.5754 7.7837 7.7837 7.7837 7.7837 9.1832 9.1832 9.1832 9.1832 9.4412 9.4412 9.4413 9.4413 10.5595 10.5595 10.5595 10.5595 10.8762 10.8763 k = 0.2971 0.3403 0.2808 ( 7556 PWs) bands (ev): -0.6180 -0.6180 -0.6179 -0.6179 1.3330 1.3330 1.3331 1.3331 1.3816 1.3816 1.3816 1.3816 3.0613 3.0613 3.0613 3.0613 4.4651 4.4651 4.4652 4.4652 4.6699 4.6699 4.6699 4.6699 5.1721 5.1721 5.1721 5.1721 6.7452 6.7452 6.7452 6.7452 6.9571 6.9571 6.9571 6.9571 7.2071 7.2071 7.2071 7.2071 7.5675 7.5675 7.5675 7.5675 7.7731 7.7731 7.7731 7.7731 9.2803 9.2803 9.2803 9.2803 9.3032 9.3032 9.3032 9.3032 10.4355 10.4355 10.4355 10.4355 10.8196 10.8196 k = 0.2868 0.3286 0.2808 ( 7556 PWs) bands (ev): -0.6987 -0.6987 -0.6987 -0.6987 1.3883 1.3883 1.3884 1.3884 1.4365 1.4365 1.4366 1.4366 2.9893 2.9893 2.9893 2.9893 4.5757 4.5757 4.5758 4.5758 4.7161 4.7161 4.7162 4.7162 5.2701 5.2701 5.2701 5.2701 6.7566 6.7566 6.7566 6.7566 6.9349 6.9349 6.9349 6.9349 7.1915 7.1915 7.1915 7.1915 7.5615 7.5615 7.5615 7.5615 7.7620 7.7620 7.7620 7.7620 9.1674 9.1674 9.1675 9.1675 9.3726 9.3726 9.3726 9.3726 10.3177 10.3177 10.3177 10.3177 10.7626 10.7626 k = 0.2766 0.3169 0.2808 ( 7544 PWs) bands (ev): -0.7770 -0.7770 -0.7769 -0.7769 1.4463 1.4463 1.4463 1.4463 1.4941 1.4941 1.4941 1.4941 2.9196 2.9196 2.9196 2.9196 4.6782 4.6782 4.6782 4.6782 4.7643 4.7643 4.7643 4.7643 5.3764 5.3764 5.3764 5.3764 6.7600 6.7600 6.7600 6.7600 6.9084 6.9084 6.9084 6.9084 7.1756 7.1756 7.1756 7.1756 7.5575 7.5575 7.5575 7.5575 7.7506 7.7506 7.7506 7.7506 9.0357 9.0357 9.0358 9.0358 9.4511 9.4511 9.4511 9.4511 10.2162 10.2162 10.2162 10.2162 10.7059 10.7059 k = 0.2664 0.3051 0.2808 ( 7540 PWs) bands (ev): -0.8526 -0.8526 -0.8525 -0.8525 1.5069 1.5069 1.5069 1.5069 1.5540 1.5540 1.5540 1.5540 2.8525 2.8525 2.8525 2.8525 4.7730 4.7730 4.7730 4.7730 4.8143 4.8143 4.8143 4.8143 5.4890 5.4890 5.4890 5.4890 6.7556 6.7556 6.7556 6.7556 6.8767 6.8767 6.8767 6.8767 7.1598 7.1598 7.1598 7.1598 7.5557 7.5557 7.5557 7.5557 7.7388 7.7388 7.7388 7.7388 8.9089 8.9089 8.9089 8.9089 9.5032 9.5032 9.5032 9.5032 10.1438 10.1438 10.1438 10.1438 10.6297 10.6297 k = 0.2561 0.2934 0.2808 ( 7548 PWs) bands (ev): -0.9255 -0.9255 -0.9255 -0.9255 1.5701 1.5701 1.5702 1.5702 1.6160 1.6160 1.6161 1.6161 2.7883 2.7883 2.7883 2.7883 4.8595 4.8595 4.8595 4.8595 4.8679 4.8679 4.8679 4.8679 5.6050 5.6050 5.6051 5.6051 6.7438 6.7438 6.7438 6.7438 6.8392 6.8392 6.8392 6.8392 7.1444 7.1444 7.1444 7.1444 7.5563 7.5563 7.5563 7.5563 7.7267 7.7267 7.7267 7.7267 8.7880 8.7880 8.7880 8.7880 9.5155 9.5155 9.5156 9.5156 10.1121 10.1121 10.1121 10.1121 10.5403 10.5403 k = 0.2459 0.2817 0.2808 ( 7542 PWs) bands (ev): -0.9958 -0.9958 -0.9958 -0.9958 1.6360 1.6360 1.6360 1.6360 1.6799 1.6799 1.6800 1.6800 2.7274 2.7274 2.7275 2.7275 4.9177 4.9177 4.9177 4.9177 4.9461 4.9461 4.9461 4.9461 5.7213 5.7213 5.7213 5.7213 6.7248 6.7248 6.7248 6.7248 6.7956 6.7956 6.7956 6.7956 7.1299 7.1299 7.1299 7.1299 7.5595 7.5595 7.5595 7.5595 7.7143 7.7143 7.7143 7.7143 8.6741 8.6741 8.6741 8.6741 9.4875 9.4875 9.4875 9.4875 10.1185 10.1185 10.1186 10.1186 10.4536 10.4536 k = 0.2356 0.2699 0.2808 ( 7542 PWs) bands (ev): -1.0634 -1.0634 -1.0633 -1.0633 1.7044 1.7044 1.7045 1.7045 1.7453 1.7453 1.7453 1.7453 2.6703 2.6703 2.6703 2.6703 4.9720 4.9720 4.9720 4.9720 5.0255 5.0255 5.0255 5.0255 5.8339 5.8339 5.8339 5.8339 6.6984 6.6984 6.6984 6.6984 6.7462 6.7462 6.7462 6.7462 7.1170 7.1170 7.1170 7.1170 7.5653 7.5653 7.5654 7.5654 7.7017 7.7017 7.7017 7.7017 8.5681 8.5681 8.5682 8.5682 9.4342 9.4342 9.4343 9.4343 10.1443 10.1443 10.1443 10.1443 10.3708 10.3708 k = 0.2254 0.2582 0.2808 ( 7542 PWs) bands (ev): -1.1282 -1.1282 -1.1281 -1.1281 1.7754 1.7754 1.7755 1.7755 1.8114 1.8114 1.8114 1.8114 2.6175 2.6175 2.6175 2.6175 5.0272 5.0272 5.0272 5.0272 5.1020 5.1020 5.1021 5.1021 5.9385 5.9385 5.9386 5.9386 6.6614 6.6614 6.6614 6.6614 6.6952 6.6952 6.6952 6.6952 7.1065 7.1065 7.1065 7.1065 7.5741 7.5741 7.5741 7.5741 7.6889 7.6889 7.6890 7.6890 8.4709 8.4709 8.4710 8.4710 9.3729 9.3729 9.3729 9.3729 10.1700 10.1700 10.1700 10.1700 10.2924 10.2924 k = 0.2151 0.2464 0.2808 ( 7542 PWs) bands (ev): -1.1902 -1.1902 -1.1902 -1.1902 1.8490 1.8490 1.8491 1.8491 1.8773 1.8773 1.8773 1.8773 2.5702 2.5702 2.5702 2.5702 5.0829 5.0829 5.0829 5.0829 5.1762 5.1762 5.1763 5.1763 6.0300 6.0300 6.0301 6.0301 6.6051 6.6051 6.6051 6.6051 6.6533 6.6533 6.6533 6.6533 7.0992 7.0992 7.0992 7.0992 7.5858 7.5858 7.5858 7.5858 7.6760 7.6760 7.6760 7.6760 8.3830 8.3830 8.3830 8.3830 9.3146 9.3146 9.3147 9.3147 10.1832 10.1832 10.1832 10.1832 10.2211 10.2211 k = 0.2049 0.2347 0.2808 ( 7546 PWs) bands (ev): -1.2495 -1.2495 -1.2494 -1.2494 1.9250 1.9250 1.9251 1.9251 1.9412 1.9412 1.9413 1.9413 2.5301 2.5301 2.5301 2.5301 5.1387 5.1387 5.1387 5.1387 5.2483 5.2483 5.2483 5.2483 6.1021 6.1021 6.1021 6.1021 6.5338 6.5338 6.5338 6.5338 6.6205 6.6205 6.6205 6.6205 7.0957 7.0957 7.0957 7.0957 7.6001 7.6001 7.6002 7.6002 7.6632 7.6632 7.6632 7.6632 8.3046 8.3046 8.3046 8.3046 9.2664 9.2664 9.2665 9.2665 10.1410 10.1410 10.1410 10.1410 10.1979 10.1979 k = 0.1946 0.2230 0.2808 ( 7542 PWs) bands (ev): -1.3060 -1.3060 -1.3059 -1.3059 1.9986 1.9986 1.9987 1.9987 2.0051 2.0051 2.0052 2.0052 2.5002 2.5002 2.5002 2.5002 5.1940 5.1940 5.1940 5.1940 5.3181 5.3181 5.3181 5.3181 6.1477 6.1477 6.1477 6.1477 6.4540 6.4540 6.4540 6.4540 6.5962 6.5962 6.5962 6.5962 7.0964 7.0964 7.0964 7.0964 7.6158 7.6158 7.6158 7.6158 7.6517 7.6517 7.6517 7.6517 8.2356 8.2356 8.2357 8.2357 9.2328 9.2328 9.2328 9.2328 10.0748 10.0748 10.0748 10.0748 10.1934 10.1935 k = 0.1844 0.2112 0.2808 ( 7526 PWs) bands (ev): -1.3596 -1.3596 -1.3595 -1.3595 2.0486 2.0486 2.0486 2.0486 2.0854 2.0854 2.0855 2.0855 2.4851 2.4851 2.4852 2.4852 5.2476 5.2476 5.2476 5.2476 5.3849 5.3849 5.3849 5.3849 6.1616 6.1616 6.1616 6.1616 6.3685 6.3685 6.3685 6.3685 6.5839 6.5839 6.5839 6.5839 7.1011 7.1011 7.1011 7.1011 7.6234 7.6234 7.6234 7.6234 7.6502 7.6502 7.6502 7.6502 8.1758 8.1758 8.1758 8.1758 9.2167 9.2167 9.2168 9.2168 10.0109 10.0109 10.0109 10.0109 10.1845 10.1845 k = 0.1742 0.1995 0.2808 ( 7530 PWs) bands (ev): -1.4104 -1.4104 -1.4103 -1.4103 2.0821 2.0821 2.0821 2.0821 2.1690 2.1690 2.1691 2.1691 2.4909 2.4909 2.4909 2.4909 5.2979 5.2979 5.2979 5.2979 5.4475 5.4475 5.4475 5.4475 6.1455 6.1455 6.1456 6.1456 6.2800 6.2800 6.2800 6.2800 6.5829 6.5829 6.5829 6.5829 7.1090 7.1090 7.1090 7.1090 7.6137 7.6137 7.6138 7.6138 7.6668 7.6668 7.6668 7.6668 8.1244 8.1244 8.1244 8.1244 9.2204 9.2204 9.2204 9.2204 9.9502 9.9502 9.9502 9.9502 10.1728 10.1728 k = 0.1639 0.1878 0.2808 ( 7530 PWs) bands (ev): -1.4583 -1.4583 -1.4583 -1.4583 2.0964 2.0964 2.0964 2.0964 2.2552 2.2552 2.2552 2.2552 2.5210 2.5210 2.5210 2.5210 5.3422 5.3422 5.3422 5.3422 5.5029 5.5029 5.5029 5.5029 6.1089 6.1089 6.1089 6.1089 6.1921 6.1921 6.1921 6.1921 6.5882 6.5882 6.5883 6.5883 7.1188 7.1188 7.1188 7.1188 7.5992 7.5992 7.5992 7.5992 7.6879 7.6879 7.6879 7.6879 8.0807 8.0807 8.0808 8.0808 9.2446 9.2446 9.2446 9.2446 9.8927 9.8927 9.8927 9.8927 10.1601 10.1601 k = 0.1537 0.1760 0.2808 ( 7534 PWs) bands (ev): -1.5034 -1.5034 -1.5034 -1.5034 2.0936 2.0936 2.0937 2.0937 2.3437 2.3437 2.3437 2.3437 2.5732 2.5732 2.5732 2.5732 5.3759 5.3759 5.3759 5.3759 5.5460 5.5460 5.5460 5.5460 6.0646 6.0646 6.0647 6.0647 6.1102 6.1102 6.1103 6.1103 6.5946 6.5946 6.5946 6.5946 7.1290 7.1290 7.1290 7.1290 7.5829 7.5829 7.5830 7.5830 7.7087 7.7087 7.7087 7.7087 8.0440 8.0440 8.0440 8.0440 9.2889 9.2889 9.2890 9.2890 9.8386 9.8386 9.8386 9.8386 10.1478 10.1479 k = 0.1434 0.1643 0.2808 ( 7522 PWs) bands (ev): -1.5457 -1.5457 -1.5456 -1.5456 2.0796 2.0796 2.0797 2.0797 2.4346 2.4346 2.4346 2.4346 2.6416 2.6416 2.6417 2.6417 5.3922 5.3922 5.3922 5.3922 5.5674 5.5674 5.5674 5.5674 6.0276 6.0276 6.0276 6.0276 6.0423 6.0423 6.0423 6.0423 6.5990 6.5990 6.5990 6.5990 7.1383 7.1383 7.1383 7.1383 7.5655 7.5655 7.5655 7.5655 7.7277 7.7277 7.7277 7.7277 8.0133 8.0133 8.0134 8.0134 9.3512 9.3512 9.3512 9.3512 9.7877 9.7877 9.7877 9.7877 10.1373 10.1373 k = 0.1332 0.1526 0.2808 ( 7514 PWs) bands (ev): -1.5850 -1.5850 -1.5850 -1.5850 2.0596 2.0596 2.0596 2.0596 2.5279 2.5279 2.5279 2.5279 2.7212 2.7212 2.7212 2.7212 5.3824 5.3824 5.3824 5.3824 5.5561 5.5561 5.5562 5.5562 5.9958 5.9958 5.9958 5.9958 6.0142 6.0142 6.0142 6.0142 6.6008 6.6008 6.6008 6.6008 7.1457 7.1457 7.1457 7.1457 7.5470 7.5470 7.5470 7.5470 7.7440 7.7440 7.7440 7.7440 7.9879 7.9879 7.9879 7.9879 9.4268 9.4268 9.4269 9.4269 9.7402 9.7402 9.7402 9.7402 10.1292 10.1293 k = 0.1229 0.1408 0.2808 ( 7506 PWs) bands (ev): -1.6215 -1.6215 -1.6214 -1.6214 2.0369 2.0369 2.0369 2.0369 2.6234 2.6234 2.6234 2.6234 2.8083 2.8083 2.8083 2.8083 5.3411 5.3411 5.3411 5.3411 5.5089 5.5089 5.5089 5.5089 5.9795 5.9795 5.9795 5.9795 6.0270 6.0270 6.0270 6.0270 6.6002 6.6002 6.6002 6.6002 7.1510 7.1510 7.1511 7.1511 7.5272 7.5272 7.5272 7.5272 7.7577 7.7577 7.7577 7.7577 7.9669 7.9669 7.9670 7.9670 9.5089 9.5089 9.5090 9.5090 9.6960 9.6960 9.6960 9.6960 10.1227 10.1227 k = 0.1127 0.1291 0.2808 ( 7510 PWs) bands (ev): -1.6551 -1.6551 -1.6550 -1.6550 2.0135 2.0135 2.0135 2.0135 2.7211 2.7211 2.7211 2.7211 2.9010 2.9010 2.9010 2.9010 5.2710 5.2710 5.2710 5.2710 5.4336 5.4336 5.4336 5.4336 5.9897 5.9897 5.9897 5.9897 6.0610 6.0610 6.0610 6.0610 6.5978 6.5978 6.5978 6.5978 7.1541 7.1541 7.1541 7.1541 7.5063 7.5063 7.5063 7.5063 7.7689 7.7689 7.7689 7.7689 7.9497 7.9497 7.9498 7.9498 9.5869 9.5869 9.5869 9.5869 9.6556 9.6556 9.6556 9.6556 10.1115 10.1115 k = 0.1024 0.1174 0.2808 ( 7504 PWs) bands (ev): -1.6857 -1.6857 -1.6857 -1.6857 1.9906 1.9906 1.9906 1.9906 2.8209 2.8209 2.8210 2.8210 2.9979 2.9979 2.9979 2.9979 5.1799 5.1799 5.1799 5.1799 5.3403 5.3403 5.3403 5.3403 6.0188 6.0188 6.0189 6.0189 6.1068 6.1068 6.1069 6.1069 6.5942 6.5942 6.5942 6.5942 7.1549 7.1549 7.1549 7.1549 7.4843 7.4843 7.4843 7.4843 7.7782 7.7782 7.7782 7.7782 7.9357 7.9357 7.9357 7.9357 9.6159 9.6159 9.6159 9.6159 9.6511 9.6511 9.6511 9.6511 10.0873 10.0873 k = 0.0922 0.1056 0.2808 ( 7500 PWs) bands (ev): -1.7135 -1.7135 -1.7135 -1.7135 1.9690 1.9690 1.9690 1.9690 2.9227 2.9227 2.9228 2.9228 3.0982 3.0982 3.0983 3.0983 5.0755 5.0755 5.0756 5.0756 5.2362 5.2362 5.2362 5.2362 6.0594 6.0594 6.0594 6.0594 6.1579 6.1579 6.1579 6.1579 6.5899 6.5899 6.5899 6.5899 7.1538 7.1538 7.1538 7.1538 7.4614 7.4614 7.4614 7.4614 7.7862 7.7862 7.7862 7.7862 7.9242 7.9242 7.9243 7.9243 9.5829 9.5829 9.5829 9.5829 9.6848 9.6848 9.6848 9.6848 10.0398 10.0398 k = 0.0820 0.0939 0.2808 ( 7500 PWs) bands (ev): -1.7384 -1.7384 -1.7383 -1.7383 1.9490 1.9490 1.9490 1.9490 3.0264 3.0264 3.0265 3.0265 3.2014 3.2014 3.2015 3.2015 4.9632 4.9632 4.9633 4.9633 5.1254 5.1254 5.1254 5.1254 6.1057 6.1057 6.1057 6.1057 6.2101 6.2101 6.2101 6.2101 6.5855 6.5855 6.5855 6.5855 7.1511 7.1511 7.1511 7.1511 7.4377 7.4377 7.4377 7.4377 7.7931 7.7931 7.7932 7.7932 7.9149 7.9149 7.9150 7.9150 9.5527 9.5527 9.5527 9.5527 9.6895 9.6895 9.6895 9.6895 9.9568 9.9568 k = 0.0717 0.0821 0.2808 ( 7502 PWs) bands (ev): -1.7603 -1.7603 -1.7603 -1.7603 1.9310 1.9310 1.9310 1.9310 3.1317 3.1317 3.1318 3.1318 3.3069 3.3069 3.3070 3.3070 4.8465 4.8465 4.8466 4.8466 5.0106 5.0106 5.0106 5.0106 6.1542 6.1542 6.1543 6.1543 6.2610 6.2610 6.2610 6.2610 6.5814 6.5814 6.5814 6.5814 7.1471 7.1471 7.1471 7.1471 7.4136 7.4136 7.4137 7.4137 7.7995 7.7995 7.7995 7.7995 7.9074 7.9074 7.9075 7.9075 9.5259 9.5259 9.5259 9.5259 9.6702 9.6702 9.6702 9.6702 9.8819 9.8819 k = 0.0615 0.0704 0.2808 ( 7502 PWs) bands (ev): -1.7794 -1.7794 -1.7793 -1.7793 1.9152 1.9152 1.9152 1.9152 3.2384 3.2384 3.2384 3.2384 3.4143 3.4143 3.4143 3.4143 4.7277 4.7277 4.7277 4.7277 4.8935 4.8935 4.8936 4.8936 6.2022 6.2022 6.2023 6.2023 6.3086 6.3086 6.3086 6.3086 6.5779 6.5779 6.5779 6.5779 7.1421 7.1421 7.1421 7.1421 7.3897 7.3897 7.3897 7.3897 7.8054 7.8054 7.8054 7.8054 7.9014 7.9014 7.9015 7.9015 9.5028 9.5028 9.5028 9.5028 9.6362 9.6362 9.6362 9.6362 9.8155 9.8155 k = 0.0512 0.0587 0.2808 ( 7506 PWs) bands (ev): -1.7955 -1.7955 -1.7954 -1.7954 1.9016 1.9016 1.9016 1.9016 3.3458 3.3458 3.3458 3.3458 3.5228 3.5228 3.5229 3.5229 4.6085 4.6085 4.6086 4.6086 4.7757 4.7757 4.7758 4.7758 6.2475 6.2475 6.2475 6.2475 6.3513 6.3513 6.3513 6.3513 6.5753 6.5753 6.5753 6.5753 7.1366 7.1366 7.1366 7.1366 7.3665 7.3665 7.3665 7.3665 7.8108 7.8108 7.8108 7.8108 7.8967 7.8967 7.8968 7.8968 9.4834 9.4834 9.4834 9.4834 9.5964 9.5964 9.5964 9.5964 9.7582 9.7582 k = 0.0410 0.0469 0.2808 ( 7510 PWs) bands (ev): -1.8087 -1.8087 -1.8086 -1.8086 1.8904 1.8904 1.8904 1.8904 3.4531 3.4531 3.4531 3.4531 3.6316 3.6316 3.6317 3.6317 4.4908 4.4908 4.4908 4.4908 4.6587 4.6587 4.6588 4.6588 6.2882 6.2882 6.2882 6.2882 6.3877 6.3877 6.3877 6.3877 6.5740 6.5740 6.5741 6.5741 7.1310 7.1310 7.1310 7.1310 7.3450 7.3450 7.3451 7.3451 7.8156 7.8156 7.8156 7.8156 7.8931 7.8931 7.8932 7.8932 9.4677 9.4677 9.4677 9.4677 9.5574 9.5574 9.5574 9.5574 9.7103 9.7103 k = 0.0307 0.0352 0.2808 ( 7494 PWs) bands (ev): -1.8189 -1.8189 -1.8189 -1.8189 1.8816 1.8816 1.8816 1.8816 3.5584 3.5584 3.5584 3.5584 3.7390 3.7390 3.7390 3.7390 4.3769 4.3769 4.3769 4.3769 4.5447 4.5447 4.5447 4.5447 6.3223 6.3223 6.3223 6.3223 6.4165 6.4165 6.4165 6.4165 6.5741 6.5741 6.5741 6.5741 7.1260 7.1260 7.1260 7.1260 7.3265 7.3265 7.3265 7.3265 7.8197 7.8197 7.8197 7.8197 7.8905 7.8905 7.8905 7.8905 9.4555 9.4555 9.4555 9.4555 9.5236 9.5236 9.5236 9.5236 9.6724 9.6724 k = 0.0205 0.0235 0.2808 ( 7494 PWs) bands (ev): -1.8262 -1.8262 -1.8262 -1.8262 1.8753 1.8753 1.8753 1.8753 3.6574 3.6574 3.6574 3.6574 3.8407 3.8407 3.8407 3.8407 4.2716 4.2716 4.2716 4.2716 4.4380 4.4380 4.4380 4.4380 6.3482 6.3482 6.3482 6.3482 6.4370 6.4370 6.4370 6.4370 6.5751 6.5751 6.5751 6.5751 7.1219 7.1219 7.1219 7.1219 7.3119 7.3119 7.3120 7.3120 7.8228 7.8228 7.8228 7.8228 7.8887 7.8887 7.8888 7.8888 9.4466 9.4466 9.4466 9.4466 9.4981 9.4981 9.4981 9.4981 9.6449 9.6449 k = 0.0102 0.0117 0.2808 ( 7508 PWs) bands (ev): -1.8306 -1.8306 -1.8306 -1.8306 1.8715 1.8715 1.8715 1.8715 3.7385 3.7385 3.7385 3.7385 3.9255 3.9255 3.9256 3.9256 4.1865 4.1865 4.1866 4.1866 4.3501 4.3501 4.3501 4.3501 6.3645 6.3645 6.3645 6.3645 6.4490 6.4490 6.4490 6.4490 6.5763 6.5763 6.5764 6.5764 7.1191 7.1191 7.1191 7.1191 7.3026 7.3026 7.3027 7.3027 7.8248 7.8248 7.8248 7.8248 7.8877 7.8877 7.8877 7.8877 9.4410 9.4410 9.4410 9.4410 9.4824 9.4824 9.4824 9.4824 9.6281 9.6281 k = 0.0000 0.0000 0.2808 ( 7508 PWs) bands (ev): -1.8321 -1.8321 -1.8320 -1.8320 1.8702 1.8702 1.8702 1.8702 3.7735 3.7735 3.7736 3.7736 3.9632 3.9632 3.9632 3.9632 4.1501 4.1501 4.1502 4.1502 4.3114 4.3114 4.3114 4.3114 6.3700 6.3700 6.3700 6.3700 6.4529 6.4529 6.4529 6.4529 6.5769 6.5769 6.5769 6.5769 7.1182 7.1182 7.1182 7.1182 7.2994 7.2994 7.2995 7.2995 7.8254 7.8254 7.8254 7.8254 7.8874 7.8874 7.8874 7.8874 9.4390 9.4390 9.4390 9.4390 9.4772 9.4772 9.4773 9.4773 9.6224 9.6224 k = 0.0000 0.0000 0.2808 ( 7508 PWs) bands (ev): -1.8321 -1.8321 -1.8320 -1.8320 1.8702 1.8702 1.8702 1.8702 3.7735 3.7735 3.7736 3.7736 3.9632 3.9632 3.9632 3.9632 4.1501 4.1501 4.1502 4.1502 4.3114 4.3114 4.3114 4.3114 6.3700 6.3700 6.3700 6.3700 6.4529 6.4529 6.4529 6.4529 6.5769 6.5769 6.5769 6.5769 7.1182 7.1182 7.1182 7.1182 7.2994 7.2994 7.2995 7.2995 7.8254 7.8254 7.8254 7.8254 7.8874 7.8874 7.8874 7.8874 9.4390 9.4390 9.4390 9.4390 9.4772 9.4772 9.4773 9.4773 9.6224 9.6224 k = 0.0000 0.0000 0.2652 ( 7502 PWs) bands (ev): -1.8837 -1.8837 -1.7775 -1.7775 1.7254 1.7254 2.0165 2.0165 3.7411 3.7411 3.8025 3.8025 3.9254 3.9254 4.0001 4.0001 4.1258 4.1258 4.1824 4.1824 4.2815 4.2815 4.3474 4.3474 6.3555 6.3555 6.3745 6.3745 6.4122 6.4122 6.4822 6.4822 6.5518 6.5518 6.6092 6.6092 7.0770 7.0770 7.1542 7.1542 7.2361 7.2361 7.3659 7.3659 7.7460 7.7460 7.8507 7.8507 7.9001 7.9001 7.9216 7.9216 9.3878 9.3878 9.4256 9.4256 9.4718 9.4718 9.5507 9.5507 9.5941 9.5941 k = 0.0000 0.0000 0.2496 ( 7496 PWs) bands (ev): -1.9324 -1.9324 -1.7201 -1.7201 1.5823 1.5823 2.1638 2.1638 3.7074 3.7074 3.8245 3.8245 3.8886 3.8886 4.0321 4.0321 4.1127 4.1127 4.2204 4.2204 4.2613 4.2613 4.3877 4.3877 6.3319 6.3319 6.3615 6.3615 6.3693 6.3693 6.5002 6.5002 6.5319 6.5319 6.6473 6.6473 7.0300 7.0300 7.1788 7.1788 7.1849 7.1849 7.4317 7.4317 7.6622 7.6622 7.8238 7.8238 7.9306 7.9306 7.9809 7.9809 9.3011 9.3011 9.4164 9.4164 9.5089 9.5089 9.5685 9.5685 9.6251 9.6251 k = 0.0000 0.0000 0.2340 ( 7498 PWs) bands (ev): -1.9782 -1.9782 -1.6599 -1.6599 1.4410 1.4410 2.3119 2.3119 3.6738 3.6738 3.8362 3.8362 3.8542 3.8542 4.0529 4.0529 4.1145 4.1145 4.2564 4.2564 4.2631 4.2631 4.4314 4.4314 6.2961 6.2961 6.3114 6.3114 6.3494 6.3494 6.5088 6.5088 6.5154 6.5154 6.6882 6.6882 6.9770 6.9770 7.1300 7.1300 7.2099 7.2099 7.4911 7.4911 7.5792 7.5792 7.8008 7.8008 7.9503 7.9503 8.0372 8.0372 9.2105 9.2105 9.4180 9.4180 9.5231 9.5231 9.5865 9.5865 9.6887 9.6887 k = 0.0000 0.0000 0.2184 ( 7502 PWs) bands (ev): -2.0211 -2.0211 -1.5967 -1.5967 1.3017 1.3017 2.4601 2.4601 3.6410 3.6410 3.8232 3.8232 3.8362 3.8362 4.0576 4.0576 4.1322 4.1322 4.2730 4.2730 4.3083 4.3083 4.4778 4.4778 6.2399 6.2399 6.2698 6.2698 6.3174 6.3174 6.4980 6.4980 6.5122 6.5122 6.7288 6.7288 6.9176 6.9176 7.0911 7.0911 7.2272 7.2272 7.5013 7.5013 7.5364 7.5364 7.7914 7.7914 7.9642 7.9642 8.0808 8.0808 9.1215 9.1215 9.4285 9.4285 9.5076 9.5076 9.6487 9.6487 9.7443 9.7443 k = 0.0000 0.0000 0.2028 ( 7514 PWs) bands (ev): -2.0610 -2.0610 -1.5307 -1.5307 1.1645 1.1645 2.6076 2.6076 3.6097 3.6097 3.7967 3.7967 3.8268 3.8268 4.0486 4.0486 4.1634 4.1634 4.3073 4.3073 4.3566 4.3566 4.5268 4.5268 6.1758 6.1758 6.2270 6.2270 6.2729 6.2729 6.4827 6.4827 6.5072 6.5072 6.7656 6.7656 6.8532 6.8532 7.0623 7.0623 7.2320 7.2320 7.4377 7.4377 7.5560 7.5560 7.8052 7.8052 7.9729 7.9729 8.1089 8.1089 9.0389 9.0389 9.4461 9.4461 9.4909 9.4909 9.7270 9.7270 9.7854 9.7854 k = 0.0000 0.0000 0.1872 ( 7514 PWs) bands (ev): -2.0981 -2.0981 -1.4619 -1.4619 1.0296 1.0296 2.7528 2.7528 3.5801 3.5801 3.7763 3.7763 3.8117 3.8117 4.0322 4.0322 4.2046 4.2046 4.3530 4.3530 4.4073 4.4073 4.5780 4.5780 6.1081 6.1081 6.1799 6.1799 6.2172 6.2172 6.4670 6.4670 6.4947 6.4947 6.7614 6.7614 6.8203 6.8203 7.0431 7.0431 7.2159 7.2159 7.3981 7.3981 7.5515 7.5515 7.8416 7.8416 7.9771 7.9771 8.1205 8.1205 8.9668 8.9668 9.4616 9.4616 9.4848 9.4848 9.8015 9.8015 9.8208 9.8208 k = 0.0000 0.0000 0.1716 ( 7526 PWs) bands (ev): -2.1321 -2.1321 -1.3903 -1.3903 0.8969 0.8969 2.8937 2.8937 3.5525 3.5525 3.7640 3.7640 3.7938 3.7938 4.0129 4.0129 4.2526 4.2526 4.4051 4.4051 4.4598 4.4598 4.6313 4.6313 6.0375 6.0375 6.1287 6.1287 6.1528 6.1528 6.4496 6.4496 6.4739 6.4739 6.6863 6.6863 6.8488 6.8488 7.0318 7.0318 7.1789 7.1789 7.3851 7.3851 7.5331 7.5331 7.8901 7.8901 7.9773 7.9773 8.1168 8.1168 8.9072 8.9072 9.4538 9.4538 9.5097 9.5097 9.8072 9.8072 9.9109 9.9109 k = 0.0000 0.0000 0.1560 ( 7536 PWs) bands (ev): -2.1633 -2.1633 -1.3158 -1.3158 0.7666 0.7666 3.0263 3.0263 3.5271 3.5271 3.7635 3.7635 3.7752 3.7752 3.9932 3.9932 4.3051 4.3051 4.4609 4.4609 4.5139 4.5139 4.6864 4.6864 5.9644 5.9644 6.0735 6.0735 6.0826 6.0826 6.4268 6.4268 6.4441 6.4441 6.6025 6.6025 6.8802 6.8802 7.0266 7.0266 7.1343 7.1343 7.3873 7.3873 7.5095 7.5095 7.9413 7.9413 7.9744 7.9744 8.1008 8.1008 8.8601 8.8601 9.4418 9.4418 9.5456 9.5456 9.8018 9.8018 9.9554 9.9554 k = 0.0000 0.0000 0.1404 ( 7528 PWs) bands (ev): -2.1914 -2.1914 -1.2387 -1.2387 0.6387 0.6387 3.1447 3.1447 3.5038 3.5038 3.7568 3.7568 3.7808 3.7808 3.9742 3.9742 4.3609 4.3609 4.5188 4.5188 4.5692 4.5692 4.7431 4.7431 5.8889 5.8889 6.0050 6.0050 6.0187 6.0187 6.3874 6.3874 6.4054 6.4054 6.5269 6.5269 6.9093 6.9093 7.0258 7.0258 7.0927 7.0927 7.3948 7.3948 7.4856 7.4856 7.9690 7.9690 7.9899 7.9899 8.0778 8.0778 8.8239 8.8239 9.4308 9.4308 9.5861 9.5861 9.7920 9.7920 9.9745 9.9745 k = 0.0000 0.0000 0.1248 ( 7526 PWs) bands (ev): -2.2167 -2.2167 -1.1588 -1.1588 0.5134 0.5134 3.2412 3.2412 3.4829 3.4829 3.7396 3.7396 3.8233 3.8233 3.9566 3.9566 4.4188 4.4188 4.5775 4.5775 4.6251 4.6251 4.8010 4.8010 5.8109 5.8109 5.9279 5.9279 5.9595 5.9595 6.3139 6.3139 6.3584 6.3584 6.4791 6.4791 6.9354 6.9354 7.0279 7.0279 7.0584 7.0584 7.4025 7.4025 7.4642 7.4642 7.9621 7.9621 8.0226 8.0226 8.0626 8.0626 8.7965 8.7965 9.4211 9.4211 9.6296 9.6296 9.7806 9.7806 9.9891 9.9891 k = 0.0000 0.0000 0.1092 ( 7534 PWs) bands (ev): -2.2389 -2.2389 -1.0763 -1.0763 0.3908 0.3908 3.3097 3.3097 3.4643 3.4643 3.7238 3.7238 3.8964 3.8964 3.9407 3.9407 4.4778 4.4778 4.6359 4.6359 4.6810 4.6810 4.8595 4.8595 5.7304 5.7304 5.8500 5.8500 5.8999 5.8999 6.2124 6.2124 6.3054 6.3054 6.4548 6.4548 6.9579 6.9579 7.0269 7.0269 7.0372 7.0372 7.4060 7.4060 7.4494 7.4494 7.9542 7.9542 8.0076 8.0076 8.0895 8.0895 8.7754 8.7754 9.4127 9.4127 9.6746 9.6746 9.7686 9.7686 10.0010 10.0010 k = 0.0000 0.0000 0.0936 ( 7538 PWs) bands (ev): -2.2582 -2.2582 -0.9913 -0.9913 0.2709 0.2709 3.3518 3.3518 3.4481 3.4481 3.7099 3.7099 3.9264 3.9264 3.9988 3.9988 4.5370 4.5370 4.6928 4.6928 4.7362 4.7362 4.9175 4.9175 5.6478 5.6478 5.7734 5.7734 5.8407 5.8407 6.0990 6.0990 6.2493 6.2493 6.4403 6.4403 6.9763 6.9763 7.0105 7.0105 7.0403 7.0403 7.4005 7.4005 7.4456 7.4456 7.9460 7.9460 7.9811 7.9811 8.1241 8.1241 8.7591 8.7591 9.4057 9.4057 9.7195 9.7195 9.7571 9.7571 10.0105 10.0105 k = 0.0000 0.0000 0.0780 ( 7530 PWs) bands (ev): -2.2746 -2.2746 -0.9039 -0.9039 0.1540 0.1540 3.3748 3.3748 3.4343 3.4343 3.6978 3.6978 3.9144 3.9144 4.1216 4.1216 4.5949 4.5949 4.7465 4.7465 4.7895 4.7895 4.9725 4.9725 5.5642 5.5642 5.6999 5.6999 5.7834 5.7834 5.9822 5.9822 6.1933 6.1933 6.4303 6.4303 6.9873 6.9873 7.0010 7.0010 7.0468 7.0468 7.3892 7.3892 7.4494 7.4494 7.9381 7.9381 7.9565 7.9565 8.1546 8.1546 8.7465 8.7465 9.3999 9.3999 9.7464 9.7464 9.7627 9.7627 10.0180 10.0180 k = 0.0000 0.0000 0.0624 ( 7518 PWs) bands (ev): -2.2879 -2.2879 -0.8144 -0.8144 0.0404 0.0404 3.3864 3.3864 3.4231 3.4231 3.6878 3.6878 3.9044 3.9044 4.2566 4.2566 4.6498 4.6498 4.7954 4.7954 4.8394 4.8394 5.0187 5.0187 5.4842 5.4842 5.6317 5.6317 5.7298 5.7298 5.8672 5.8672 6.1406 6.1406 6.4230 6.4230 6.9829 6.9829 7.0076 7.0076 7.0535 7.0535 7.3777 7.3777 7.4551 7.4551 7.9304 7.9304 7.9362 7.9362 8.1797 8.1797 8.7367 8.7367 9.3952 9.3952 9.7371 9.7371 9.8023 9.8023 10.0238 10.0238 k = 0.0000 0.0000 0.0468 ( 7522 PWs) bands (ev): -2.2983 -2.2983 -0.7237 -0.7237 -0.0692 -0.0692 3.3919 3.3919 3.4143 3.4143 3.6800 3.6800 3.8966 3.8966 4.3971 4.3971 4.6991 4.6991 4.8373 4.8373 4.8836 4.8836 5.0422 5.0422 5.4212 5.4212 5.5718 5.5718 5.6823 5.6823 5.7579 5.7579 6.0946 6.0946 6.4176 6.4176 6.9770 6.9770 7.0158 7.0158 7.0595 7.0595 7.3681 7.3681 7.4603 7.4603 7.9181 7.9181 7.9259 7.9259 8.1992 8.1992 8.7294 8.7294 9.3916 9.3916 9.7295 9.7295 9.8362 9.8362 10.0281 10.0281 k = 0.0000 0.0000 0.0312 ( 7517 PWs) bands (ev): -2.3057 -2.3057 -0.6334 -0.6334 -0.1729 -0.1729 3.3942 3.3942 3.4080 3.4080 3.6744 3.6744 3.8910 3.8910 4.5375 4.5375 4.7394 4.7394 4.8697 4.8697 4.9191 4.9191 5.0196 5.0196 5.3991 5.3991 5.5238 5.5238 5.6429 5.6429 5.6584 5.6584 6.0586 6.0586 6.4138 6.4138 6.9729 6.9729 7.0217 7.0217 7.0644 7.0644 7.3611 7.3611 7.4643 7.4643 7.9065 7.9065 7.9212 7.9212 8.2132 8.2132 8.7244 8.7244 9.3891 9.3891 9.7240 9.7240 9.8623 9.8623 10.0311 10.0311 k = 0.0000 0.0000 0.0156 ( 7519 PWs) bands (ev): -2.3102 -2.3102 -0.5507 -0.5507 -0.2637 -0.2637 3.3950 3.3950 3.4042 3.4042 3.6710 3.6710 3.8877 3.8877 4.6699 4.6699 4.7664 4.7664 4.8903 4.8903 4.9413 4.9413 4.9490 4.9490 5.4256 5.4256 5.4922 5.4922 5.5661 5.5661 5.6203 5.6203 6.0356 6.0356 6.4116 6.4116 6.9707 6.9707 7.0252 7.0252 7.0674 7.0674 7.3568 7.3568 7.4668 7.4668 7.8994 7.8994 7.9183 7.9183 8.2215 8.2215 8.7214 8.7214 9.3876 9.3876 9.7205 9.7205 9.8789 9.8789 10.0329 10.0329 k = 0.0000 0.0000 0.0000 ( 7513 PWs) bands (ev): -2.3117 -2.3117 -0.5074 -0.5074 -0.3097 -0.3097 3.3952 3.3952 3.4030 3.4030 3.6698 3.6698 3.8866 3.8866 4.7515 4.7515 4.7769 4.7769 4.8823 4.8823 4.8977 4.8977 4.9511 4.9511 5.4716 5.4716 5.4808 5.4808 5.5022 5.5022 5.6114 5.6114 6.0277 6.0277 6.4109 6.4109 6.9700 6.9700 7.0263 7.0263 7.0685 7.0685 7.3554 7.3554 7.4677 7.4677 7.8970 7.8970 7.9174 7.9174 8.2243 8.2243 8.7204 8.7204 9.3871 9.3871 9.7194 9.7194 9.8846 9.8846 10.0335 10.0335 k = 0.0000 0.0000 0.0000 ( 7513 PWs) bands (ev): -2.3117 -2.3117 -0.5074 -0.5074 -0.3097 -0.3097 3.3952 3.3952 3.4030 3.4030 3.6698 3.6698 3.8866 3.8866 4.7515 4.7515 4.7769 4.7769 4.8823 4.8823 4.8977 4.8977 4.9511 4.9511 5.4716 5.4716 5.4808 5.4808 5.5022 5.5022 5.6114 5.6114 6.0277 6.0277 6.4109 6.4109 6.9700 6.9700 7.0263 7.0263 7.0685 7.0685 7.3554 7.3554 7.4677 7.4677 7.8970 7.8970 7.9174 7.9174 8.2243 8.2243 8.7204 8.7204 9.3871 9.3871 9.7194 9.7194 9.8846 9.8846 10.0335 10.0335 k =-0.0116 0.0102-0.0000 ( 7523 PWs) bands (ev): -2.3102 -2.3102 -0.5060 -0.5060 -0.3083 -0.3083 3.3614 3.3614 3.3822 3.3822 3.7033 3.7033 3.9089 3.9089 4.7460 4.7460 4.7641 4.7641 4.8217 4.8217 4.8901 4.8901 5.0282 5.0282 5.3997 5.3997 5.5109 5.5109 5.5605 5.5605 5.5865 5.5865 6.0528 6.0528 6.4007 6.4007 6.9685 6.9685 7.0258 7.0258 7.0685 7.0685 7.3488 7.3488 7.4681 7.4681 7.8559 7.8559 7.9552 7.9552 8.2250 8.2250 8.7209 8.7209 9.3874 9.3874 9.7111 9.7111 9.8661 9.8661 10.0496 10.0496 k =-0.0233 0.0203-0.0000 ( 7525 PWs) bands (ev): -2.3059 -2.3059 -0.5019 -0.5019 -0.3040 -0.3040 3.2865 3.2865 3.3286 3.3286 3.7769 3.7769 3.9673 3.9673 4.7239 4.7239 4.7261 4.7261 4.7374 4.7374 4.9079 4.9079 5.1281 5.1281 5.3324 5.3324 5.5214 5.5214 5.5408 5.5408 5.6500 5.6500 6.1151 6.1151 6.3703 6.3703 6.9643 6.9643 7.0240 7.0240 7.0687 7.0687 7.3291 7.3291 7.4696 7.4696 7.8053 7.8053 7.9965 7.9965 8.2272 8.2272 8.7224 8.7224 9.3886 9.3886 9.6878 9.6878 9.8141 9.8141 10.0971 10.0971 k =-0.0349 0.0305-0.0000 ( 7511 PWs) bands (ev): -2.2986 -2.2986 -0.4949 -0.4949 -0.2969 -0.2969 3.1977 3.1977 3.2567 3.2567 3.8630 3.8630 4.0470 4.0470 4.6298 4.6298 4.6836 4.6836 4.7070 4.7070 4.9314 4.9314 5.2302 5.2302 5.2762 5.2762 5.4431 5.4431 5.5800 5.5800 5.7439 5.7439 6.1953 6.1953 6.3202 6.3202 6.9573 6.9573 7.0198 7.0198 7.0699 7.0699 7.2962 7.2962 7.4731 7.4731 7.7562 7.7562 8.0317 8.0317 8.2309 8.2309 8.7250 8.7250 9.3917 9.3917 9.6535 9.6535 9.7366 9.7366 10.1729 10.1729 k =-0.0465 0.0406-0.0000 ( 7521 PWs) bands (ev): -2.2885 -2.2885 -0.4852 -0.4852 -0.2869 -0.2869 3.1043 3.1043 3.1760 3.1760 3.9512 3.9512 4.1382 4.1382 4.5359 4.5359 4.6317 4.6317 4.6691 4.6691 4.9601 4.9601 5.2320 5.2320 5.3332 5.3332 5.3557 5.3557 5.6320 5.6320 5.8412 5.8412 6.2514 6.2514 6.2820 6.2820 6.9475 6.9475 7.0114 7.0114 7.0730 7.0730 7.2511 7.2511 7.4790 7.4790 7.7108 7.7108 8.0601 8.0601 8.2363 8.2363 8.7286 8.7286 9.3975 9.3975 9.6118 9.6118 9.6434 9.6434 10.2729 10.2729 k =-0.0581 0.0508-0.0000 ( 7515 PWs) bands (ev): -2.2754 -2.2754 -0.4728 -0.4728 -0.2742 -0.2742 3.0096 3.0096 3.0915 3.0915 4.0366 4.0366 4.2358 4.2358 4.4434 4.4434 4.5757 4.5757 4.6211 4.6211 4.9952 4.9952 5.1999 5.1999 5.2647 5.2647 5.4378 5.4378 5.6916 5.6916 5.9408 5.9408 6.1659 6.1659 6.3687 6.3687 6.9355 6.9355 6.9966 6.9966 7.0784 7.0784 7.1969 7.1969 7.4876 7.4876 7.6709 7.6709 8.0820 8.0820 8.2435 8.2435 8.7333 8.7333 9.4061 9.4061 9.5345 9.5345 9.5754 9.5754 10.3925 10.3925 k =-0.0698 0.0609-0.0000 ( 7513 PWs) bands (ev): -2.2594 -2.2594 -0.4576 -0.4576 -0.2585 -0.2585 2.9150 2.9150 3.0056 3.0056 4.1150 4.1150 4.3364 4.3364 4.3528 4.3528 4.5195 4.5195 4.5644 4.5644 5.0378 5.0378 5.1745 5.1745 5.1789 5.1789 5.5424 5.5424 5.7560 5.7560 6.0417 6.0417 6.0663 6.0663 6.4505 6.4505 6.9218 6.9218 6.9711 6.9711 7.0851 7.0851 7.1403 7.1403 7.4992 7.4992 7.6371 7.6371 8.0979 8.0979 8.2526 8.2526 8.7392 8.7392 9.4058 9.4058 9.4410 9.4410 9.5349 9.5349 10.3906 10.3906 k =-0.0814 0.0711-0.0000 ( 7513 PWs) bands (ev): -2.2406 -2.2406 -0.4396 -0.4396 -0.2401 -0.2401 2.8213 2.8213 2.9197 2.9197 4.1798 4.1798 4.2640 4.2640 4.4373 4.4373 4.4691 4.4691 4.5013 4.5013 5.0866 5.0866 5.0897 5.0897 5.1670 5.1670 5.6470 5.6470 5.8212 5.8212 5.9561 5.9561 6.1444 6.1444 6.5216 6.5216 6.9022 6.9022 6.9325 6.9325 7.0783 7.0783 7.1069 7.1069 7.5140 7.5140 7.6097 7.6097 8.1086 8.1086 8.2638 8.2638 8.7462 8.7462 9.3145 9.3145 9.4419 9.4419 9.5005 9.5005 10.3629 10.3629 k =-0.0930 0.0812-0.0000 ( 7533 PWs) bands (ev): -2.2188 -2.2188 -0.4188 -0.4188 -0.2188 -0.2188 2.7289 2.7289 2.8346 2.8346 4.1767 4.1767 4.2179 4.2179 4.4320 4.4320 4.4387 4.4387 4.5341 4.5341 5.0075 5.0075 5.1492 5.1492 5.1625 5.1625 5.7513 5.7513 5.8189 5.8189 5.9069 5.9069 6.2466 6.2466 6.5740 6.5740 6.8412 6.8412 6.9163 6.9163 7.0462 7.0462 7.1157 7.1157 7.5319 7.5319 7.5885 7.5885 8.1152 8.1152 8.2773 8.2773 8.7546 8.7546 9.2135 9.2135 9.4548 9.4548 9.4796 9.4796 10.3303 10.3303 k =-0.1047 0.0914-0.0000 ( 7533 PWs) bands (ev): -2.1942 -2.1942 -0.3953 -0.3953 -0.1948 -0.1948 2.6381 2.6381 2.7507 2.7507 4.0920 4.0920 4.2114 4.2114 4.3628 4.3628 4.4405 4.4405 4.6152 4.6152 4.9461 4.9461 5.1638 5.1638 5.2183 5.2183 5.6977 5.6977 5.8546 5.8546 5.9718 5.9718 6.3482 6.3482 6.5986 6.5986 6.7481 6.7481 6.9253 6.9253 7.0204 7.0204 7.1318 7.1318 7.5496 7.5496 7.5763 7.5763 8.1183 8.1183 8.2931 8.2931 8.7642 8.7642 9.1210 9.1210 9.4420 9.4420 9.4965 9.4965 10.2935 10.2935 k =-0.1163 0.1015-0.0000 ( 7527 PWs) bands (ev): -2.1666 -2.1666 -0.3690 -0.3690 -0.1679 -0.1679 2.5491 2.5491 2.6684 2.6684 4.0091 4.0091 4.1699 4.1699 4.2910 4.2910 4.4683 4.4683 4.6513 4.6513 4.9323 4.9323 5.1697 5.1697 5.2934 5.2934 5.5713 5.5713 5.9551 5.9551 6.0424 6.0424 6.4481 6.4481 6.5913 6.5913 6.6414 6.6414 6.9513 6.9513 6.9990 6.9990 7.1518 7.1518 7.5513 7.5513 7.5880 7.5880 8.1190 8.1190 8.3110 8.3110 8.7752 8.7752 9.0415 9.0415 9.4272 9.4272 9.5270 9.5270 10.2535 10.2535 k =-0.1279 0.1117-0.0000 ( 7543 PWs) bands (ev): -2.1362 -2.1362 -0.3400 -0.3400 -0.1382 -0.1382 2.4622 2.4622 2.5880 2.5880 3.9284 3.9284 4.1131 4.1131 4.2187 4.2187 4.4997 4.4997 4.6225 4.6225 4.9857 4.9857 5.1793 5.1793 5.3508 5.3508 5.4717 5.4717 6.0495 6.0495 6.1133 6.1133 6.5279 6.5279 6.5427 6.5427 6.5611 6.5611 6.9787 6.9787 6.9877 6.9877 7.1757 7.1757 7.5448 7.5448 7.6141 7.6141 8.1177 8.1177 8.3304 8.3304 8.7876 8.7876 8.9793 8.9793 9.4186 9.4186 9.5633 9.5633 10.2111 10.2111 k =-0.1395 0.1218-0.0000 ( 7563 PWs) bands (ev): -2.1029 -2.1029 -0.3082 -0.3082 -0.1058 -0.1058 2.3773 2.3773 2.5094 2.5094 3.8498 3.8498 4.0505 4.0505 4.1468 4.1468 4.5222 4.5222 4.5595 4.5595 5.0755 5.0755 5.1921 5.1921 5.2844 5.2844 5.5097 5.5097 6.1249 6.1249 6.1832 6.1832 6.4266 6.4266 6.5030 6.5030 6.6395 6.6395 6.9600 6.9600 7.0250 7.0250 7.2040 7.2040 7.5400 7.5400 7.6428 7.6428 8.1154 8.1154 8.3500 8.3500 8.8014 8.8014 8.9387 8.9387 9.4167 9.4167 9.6046 9.6046 10.1671 10.1671 k =-0.1512 0.1320-0.0000 ( 7557 PWs) bands (ev): -2.0667 -2.0667 -0.2737 -0.2737 -0.0706 -0.0706 2.2946 2.2946 2.4330 2.4330 3.7734 3.7734 3.9853 3.9853 4.0756 4.0756 4.4854 4.4854 4.5265 4.5265 5.1760 5.1760 5.1824 5.1824 5.2084 5.2084 5.6050 5.6050 6.1330 6.1330 6.2498 6.2498 6.3865 6.3865 6.4342 6.4342 6.7273 6.7273 6.9409 6.9409 7.0599 7.0599 7.2377 7.2377 7.5380 7.5380 7.6708 7.6708 8.1126 8.1126 8.3683 8.3683 8.8165 8.8165 8.9237 8.9237 9.4214 9.4214 9.6510 9.6510 10.1225 10.1225 k =-0.1628 0.1421-0.0000 ( 7563 PWs) bands (ev): -2.0277 -2.0277 -0.2364 -0.2364 -0.0327 -0.0327 2.2142 2.2142 2.3588 2.3588 3.6992 3.6992 3.9188 3.9188 4.0057 4.0057 4.4084 4.4084 4.5024 4.5024 5.0984 5.0984 5.2245 5.2245 5.2854 5.2854 5.7104 5.7104 6.0427 6.0427 6.3125 6.3125 6.3552 6.3552 6.4380 6.4380 6.8083 6.8083 6.9221 6.9221 7.0904 7.0904 7.2772 7.2772 7.5386 7.5386 7.6959 7.6959 8.1099 8.1099 8.3842 8.3842 8.8327 8.8327 8.9366 8.9366 9.4327 9.4327 9.7023 9.7023 10.0780 10.0780 k =-0.1744 0.1523-0.0000 ( 7567 PWs) bands (ev): -1.9858 -1.9858 -0.1964 -0.1964 0.0080 0.0080 2.1362 2.1362 2.2868 2.2868 3.6273 3.6273 3.8512 3.8512 3.9371 3.9371 4.3311 4.3311 4.4426 4.4426 5.0488 5.0488 5.2443 5.2443 5.3927 5.3927 5.8202 5.8202 5.9140 5.9140 6.2593 6.2593 6.3807 6.3807 6.5217 6.5217 6.8776 6.8776 6.9069 6.9069 7.1162 7.1162 7.3228 7.3228 7.5420 7.5420 7.7167 7.7167 8.1081 8.1081 8.3981 8.3981 8.8498 8.8498 8.9771 8.9771 9.4504 9.4504 9.7585 9.7585 10.0344 10.0344 k =-0.1860 0.1624-0.0000 ( 7555 PWs) bands (ev): -1.9410 -1.9410 -0.1536 -0.1536 0.0514 0.0514 2.0605 2.0605 2.2172 2.2172 3.5576 3.5576 3.7824 3.7824 3.8703 3.8703 4.2547 4.2547 4.3501 4.3501 5.0319 5.0319 5.2657 5.2657 5.4987 5.4987 5.7734 5.7734 5.9321 5.9321 6.1607 6.1607 6.4413 6.4413 6.6118 6.6118 6.8798 6.8798 6.9509 6.9509 7.1379 7.1379 7.3741 7.3741 7.5481 7.5481 7.7325 7.7325 8.1077 8.1077 8.4118 8.4118 8.8672 8.8672 9.0424 9.0424 9.4744 9.4744 9.8195 9.8195 9.9926 9.9926 k =-0.1977 0.1726-0.0000 ( 7547 PWs) bands (ev): -1.8934 -1.8934 -0.1082 -0.1082 0.0974 0.0974 1.9872 1.9872 2.1501 2.1501 3.4903 3.4903 3.7115 3.7115 3.8053 3.8053 4.1796 4.1796 4.2364 4.2364 5.0386 5.0386 5.2887 5.2887 5.6000 5.6000 5.6275 5.6275 6.0438 6.0438 6.0579 6.0579 6.4996 6.4996 6.7016 6.7016 6.8618 6.8618 7.0080 7.0080 7.1560 7.1560 7.4298 7.4298 7.5574 7.5574 7.7437 7.7437 8.1095 8.1095 8.4273 8.4273 8.8841 8.8841 9.1280 9.1280 9.5046 9.5046 9.8849 9.8849 9.9536 9.9536 k =-0.2093 0.1827-0.0000 ( 7541 PWs) bands (ev): -1.8430 -1.8430 -0.0600 -0.0600 0.1460 0.1460 1.9164 1.9164 2.0854 2.0854 3.4254 3.4254 3.6370 3.6370 3.7423 3.7423 4.1061 4.1061 4.1129 4.1129 5.0598 5.0598 5.3130 5.3130 5.4785 5.4785 5.6869 5.6869 5.9604 5.9604 6.1548 6.1548 6.5550 6.5550 6.7846 6.7846 6.8482 6.8482 7.0591 7.0591 7.1714 7.1714 7.4875 7.4875 7.5703 7.5703 7.7510 7.7510 8.1143 8.1143 8.4460 8.4460 8.8995 8.8995 9.2296 9.2296 9.5407 9.5407 9.9184 9.9184 9.9538 9.9538 k =-0.2209 0.1929-0.0000 ( 7531 PWs) bands (ev): -1.7897 -1.7897 -0.0090 -0.0090 0.1973 0.1973 1.8481 1.8481 2.0232 2.0232 3.3628 3.3628 3.5566 3.5566 3.6814 3.6814 3.9886 3.9886 4.0345 4.0345 5.0900 5.0900 5.3278 5.3278 5.3387 5.3387 5.7130 5.7130 5.9163 5.9163 6.2619 6.2619 6.6073 6.6073 6.8102 6.8102 6.8887 6.8887 7.1051 7.1051 7.1848 7.1848 7.5438 7.5438 7.5884 7.5884 7.7554 7.7554 8.1230 8.1230 8.4687 8.4687 8.9121 8.9121 9.3424 9.3424 9.5828 9.5828 9.8895 9.8895 10.0104 10.0104 k =-0.2326 0.2030-0.0000 ( 7535 PWs) bands (ev): -1.7335 -1.7335 0.0446 0.0446 0.2511 0.2511 1.7823 1.7823 1.9636 1.9636 3.3026 3.3026 3.4671 3.4671 3.6226 3.6226 3.8706 3.8706 3.9647 3.9647 5.1257 5.1257 5.1764 5.1764 5.3653 5.3653 5.6349 5.6349 5.9695 5.9695 6.3639 6.3639 6.6563 6.6563 6.7942 6.7942 6.9672 6.9672 7.1470 7.1470 7.1973 7.1973 7.5895 7.5895 7.6188 7.6188 7.7581 7.7581 8.1367 8.1367 8.4953 8.4953 8.9206 8.9206 9.4608 9.4608 9.6305 9.6305 9.8703 9.8703 10.0197 10.0197 k =-0.2442 0.2132-0.0000 ( 7541 PWs) bands (ev): -1.6746 -1.6746 0.1009 0.1009 0.3074 0.3074 1.7191 1.7191 1.9067 1.9067 3.2448 3.2448 3.3653 3.3653 3.5661 3.5661 3.7643 3.7643 3.8968 3.8968 5.0245 5.0245 5.1653 5.1653 5.3930 5.3930 5.5187 5.5187 6.0540 6.0540 6.4589 6.4589 6.7021 6.7021 6.7750 6.7750 7.0442 7.0442 7.1838 7.1838 7.2119 7.2119 7.6195 7.6195 7.6646 7.6646 7.7601 7.7601 8.1565 8.1565 8.5256 8.5256 8.9241 8.9241 9.5740 9.5740 9.6837 9.6837 9.8703 9.8703 10.0402 10.0402 k =-0.2558 0.2233-0.0000 ( 7549 PWs) bands (ev): -1.6129 -1.6129 0.1600 0.1600 0.3661 0.3661 1.6583 1.6583 1.8525 1.8525 3.1894 3.1894 3.2500 3.2500 3.5118 3.5118 3.6724 3.6724 3.8306 3.8306 4.8727 4.8727 5.2076 5.2076 5.3925 5.3925 5.4214 5.4214 6.1423 6.1423 6.5451 6.5451 6.7443 6.7443 6.7557 6.7557 7.1152 7.1152 7.2089 7.2089 7.2378 7.2378 7.6474 7.6474 7.7095 7.7095 7.7636 7.7636 8.1841 8.1841 8.5588 8.5588 8.9218 8.9218 9.6600 9.6600 9.7410 9.7410 9.9118 9.9118 10.0777 10.0777 k =-0.2674 0.2335-0.0000 ( 7543 PWs) bands (ev): -1.5484 -1.5484 0.2217 0.2217 0.4271 0.4271 1.6001 1.6001 1.8012 1.8012 3.1224 3.1224 3.1370 3.1370 3.4599 3.4599 3.5941 3.5941 3.7662 3.7662 4.7213 4.7213 5.2519 5.2519 5.2626 5.2626 5.4505 5.4505 6.2287 6.2287 6.6211 6.6211 6.7358 6.7358 6.7844 6.7844 7.1726 7.1726 7.2317 7.2317 7.2736 7.2736 7.6767 7.6767 7.7414 7.7414 7.7762 7.7762 8.2207 8.2207 8.5940 8.5940 8.9140 8.9140 9.7040 9.7040 9.7990 9.7990 10.0117 10.0117 10.1323 10.1323 k =-0.2791 0.2436-0.0000 ( 7529 PWs) bands (ev): -1.4810 -1.4810 0.2861 0.2861 0.4903 0.4903 1.5444 1.5444 1.7527 1.7527 2.9871 2.9871 3.0862 3.0862 3.4104 3.4104 3.5270 3.5270 3.7033 3.7033 4.5705 4.5705 5.1312 5.1312 5.2978 5.2978 5.4802 5.4802 6.3114 6.3114 6.6860 6.6860 6.7167 6.7167 6.8210 6.8210 7.2013 7.2013 7.2752 7.2752 7.3116 7.3116 7.7063 7.7063 7.7529 7.7529 7.8051 7.8051 8.2676 8.2676 8.6298 8.6298 8.9011 8.9011 9.7257 9.7257 9.8582 9.8582 10.1477 10.1477 10.1836 10.1836 k =-0.2907 0.2538-0.0000 ( 7523 PWs) bands (ev): -1.4110 -1.4110 0.3532 0.3532 0.5556 0.5556 1.4913 1.4913 1.7074 1.7074 2.8462 2.8462 3.0382 3.0382 3.3632 3.3632 3.4682 3.4682 3.6418 3.6418 4.4207 4.4207 4.9996 4.9996 5.3447 5.3447 5.5101 5.5101 6.3894 6.3894 6.6979 6.6979 6.7399 6.7399 6.8549 6.8549 7.2123 7.2123 7.3298 7.3298 7.3508 7.3508 7.7318 7.7318 7.7616 7.7616 7.8358 7.8358 8.3252 8.3252 8.6647 8.6647 8.8844 8.8844 9.7456 9.7456 9.9167 9.9167 10.1369 10.1369 10.2873 10.2873 k =-0.3023 0.2639-0.0000 ( 7529 PWs) bands (ev): -1.3381 -1.3381 0.4230 0.4230 0.6227 0.6227 1.4405 1.4405 1.6653 1.6653 2.7024 2.7024 2.9927 2.9927 3.3185 3.3185 3.4159 3.4159 3.5815 3.5815 4.2720 4.2720 4.8691 4.8691 5.3925 5.3925 5.5402 5.5402 6.4621 6.4621 6.6799 6.6799 6.7828 6.7828 6.8862 6.8862 7.2184 7.2184 7.3819 7.3819 7.3920 7.3920 7.7444 7.7444 7.7813 7.7813 7.8626 7.8626 8.3927 8.3927 8.6974 8.6974 8.8649 8.8649 9.7731 9.7731 9.9715 9.9715 10.0880 10.0880 10.3818 10.3818 k =-0.3140 0.2741-0.0000 ( 7549 PWs) bands (ev): -1.2626 -1.2626 0.4954 0.4954 0.6913 0.6913 1.3922 1.3922 1.6268 1.6268 2.5574 2.5574 2.9497 2.9497 3.2763 3.2763 3.3686 3.3686 3.5219 3.5219 4.1245 4.1245 4.7404 4.7404 5.4407 5.4407 5.5703 5.5703 6.5293 6.5293 6.6628 6.6628 6.8162 6.8162 6.9150 6.9150 7.2225 7.2225 7.4263 7.4263 7.4378 7.4378 7.7485 7.7485 7.8079 7.8079 7.8849 7.8849 8.4681 8.4681 8.7262 8.7262 8.8437 8.8437 9.8122 9.8122 10.0187 10.0187 10.0417 10.0417 10.4695 10.4695 k =-0.3256 0.2842-0.0000 ( 7545 PWs) bands (ev): -1.1843 -1.1843 0.5705 0.5705 0.7610 0.7610 1.3461 1.3461 1.5923 1.5923 2.4124 2.4124 2.9092 2.9092 3.2365 3.2365 3.3256 3.3256 3.4627 3.4627 3.9786 3.9786 4.6144 4.6144 5.4891 5.4891 5.6002 5.6002 6.5896 6.5896 6.6478 6.6478 6.8417 6.8417 6.9412 6.9412 7.2253 7.2253 7.4675 7.4675 7.4833 7.4833 7.7507 7.7507 7.8352 7.8352 7.9026 7.9026 8.5474 8.5474 8.7501 8.7501 8.8219 8.8219 9.8650 9.8650 9.9976 9.9976 10.0610 10.0610 10.4744 10.4744 k =-0.3372 0.2944-0.0000 ( 7541 PWs) bands (ev): -1.1033 -1.1033 0.6482 0.6482 0.8312 0.8312 1.3022 1.3022 1.5623 1.5623 2.2684 2.2684 2.8712 2.8712 3.1993 3.1993 3.2862 3.2862 3.4033 3.4033 3.8342 3.8342 4.4921 4.4921 5.5373 5.5373 5.6298 5.6298 6.6220 6.6220 6.6561 6.6561 6.8608 6.8608 6.9646 6.9646 7.2271 7.2271 7.5083 7.5083 7.5253 7.5253 7.7524 7.7524 7.8619 7.8619 7.9163 7.9163 8.6256 8.6256 8.7686 8.7686 8.8003 8.8003 9.9313 9.9313 9.9675 9.9675 10.0925 10.0925 10.3837 10.3837 k =-0.3488 0.3045-0.0000 ( 7545 PWs) bands (ev): -1.0196 -1.0196 0.7285 0.7285 0.9008 0.9008 1.2601 1.2601 1.5378 1.5378 2.1261 2.1261 2.8357 2.8357 3.1645 3.1645 3.2501 3.2501 3.3431 3.3431 3.6915 3.6915 4.3746 4.3746 5.5849 5.5849 5.6588 5.6588 6.6111 6.6111 6.7031 6.7031 6.8751 6.8751 6.9853 6.9853 7.2282 7.2282 7.5486 7.5486 7.5639 7.5639 7.7542 7.7542 7.8882 7.8882 7.9266 7.9266 8.6962 8.6962 8.7792 8.7792 8.7820 8.7820 9.9486 9.9486 10.0166 10.0166 10.1164 10.1164 10.2750 10.2750 k =-0.3605 0.3147-0.0000 ( 7549 PWs) bands (ev): -0.9333 -0.9333 0.8114 0.8114 0.9683 0.9683 1.2196 1.2196 1.5204 1.5204 1.9863 1.9863 2.8026 2.8026 3.1323 3.1323 3.2170 3.2170 3.2813 3.2813 3.5508 3.5508 4.2627 4.2627 5.6315 5.6315 5.6871 5.6871 6.5975 6.5975 6.7484 6.7484 6.8856 6.8856 7.0035 7.0035 7.2285 7.2285 7.5869 7.5869 7.6002 7.6002 7.7561 7.7561 7.9144 7.9144 7.9343 7.9343 8.7520 8.7520 8.7603 8.7603 8.7902 8.7902 9.9543 9.9543 10.1101 10.1101 10.1341 10.1341 10.1678 10.1678 k =-0.3721 0.3248-0.0000 ( 7547 PWs) bands (ev): -0.8444 -0.8444 0.8969 0.8969 1.0312 1.0312 1.1800 1.1800 1.5125 1.5125 1.8499 1.8499 2.7719 2.7719 3.1026 3.1026 3.1868 3.1868 3.2172 3.2172 3.4120 3.4120 4.1577 4.1577 5.6766 5.6766 5.7147 5.7147 6.5844 6.5844 6.7890 6.7890 6.8938 6.8938 7.0194 7.0194 7.2282 7.2282 7.6204 7.6204 7.6367 7.6367 7.7583 7.7583 7.9388 7.9388 7.9422 7.9422 8.7419 8.7419 8.7867 8.7867 8.7967 8.7967 9.9840 9.9840 10.0575 10.0575 10.1465 10.1465 10.2252 10.2252 k =-0.3837 0.3350-0.0000 ( 7551 PWs) bands (ev): -0.7529 -0.7529 0.9850 0.9850 1.0861 1.0861 1.1403 1.1403 1.5173 1.5173 1.7181 1.7181 2.7435 2.7435 3.0755 3.0755 3.1486 3.1486 3.1604 3.1604 3.2756 3.2756 4.0607 4.0607 5.7189 5.7189 5.7420 5.7420 6.5721 6.5721 6.8240 6.8240 6.9009 6.9009 7.0333 7.0333 7.2273 7.2273 7.6482 7.6482 7.6735 7.6735 7.7609 7.7609 7.9448 7.9448 7.9688 7.9688 8.7259 8.7259 8.7927 8.7927 8.8056 8.8056 9.9478 9.9478 10.0498 10.0498 10.1564 10.1564 10.3462 10.3462 k =-0.3953 0.3451-0.0000 ( 7549 PWs) bands (ev): -0.6589 -0.6589 1.0757 1.0757 1.0987 1.0987 1.1292 1.1292 1.5385 1.5385 1.5930 1.5930 2.7172 2.7172 3.0509 3.0509 3.0776 3.0776 3.1336 3.1336 3.1434 3.1434 3.9728 3.9728 5.7550 5.7550 5.7719 5.7719 6.5609 6.5609 6.8520 6.8520 6.9092 6.9092 7.0452 7.0452 7.2257 7.2257 7.6716 7.6716 7.7076 7.7076 7.7648 7.7648 7.9505 7.9505 7.9975 7.9975 8.7117 8.7117 8.7900 8.7900 8.7995 8.7995 9.8499 9.8499 10.1342 10.1342 10.1640 10.1640 10.4784 10.4784 k =-0.4070 0.3553-0.0000 ( 7551 PWs) bands (ev): -0.5623 -0.5623 1.0524 1.0524 1.1584 1.1584 1.1690 1.1690 1.4774 1.4774 1.5784 1.5784 2.6923 2.6923 3.0007 3.0007 3.0111 3.0111 3.0289 3.0289 3.1136 3.1136 3.8946 3.8946 5.7817 5.7817 5.8069 5.8069 6.5507 6.5507 6.8707 6.8707 6.9217 6.9217 7.0554 7.0554 7.2238 7.2238 7.6913 7.6913 7.7350 7.7350 7.7717 7.7717 7.9584 7.9584 8.0278 8.0278 8.6995 8.6995 8.7705 8.7705 8.7909 8.7909 9.7560 9.7560 10.1684 10.1684 10.2427 10.2427 10.6202 10.6202 k =-0.4186 0.3654-0.0000 ( 7548 PWs) bands (ev): -0.4634 -0.4634 0.9969 0.9969 1.1750 1.1750 1.2646 1.2646 1.3761 1.3761 1.6353 1.6353 2.6672 2.6672 2.8845 2.8845 2.9203 2.9203 3.0095 3.0095 3.0943 3.0943 3.8268 3.8268 5.8034 5.8034 5.8418 5.8418 6.5416 6.5416 6.8801 6.8801 6.9389 6.9389 7.0640 7.0640 7.2214 7.2214 7.7078 7.7078 7.7507 7.7507 7.7847 7.7847 7.9703 7.9703 8.0601 8.0601 8.6891 8.6891 8.7331 8.7331 8.7863 8.7863 9.6683 9.6683 10.1724 10.1724 10.3666 10.3666 10.7702 10.7702 k =-0.4302 0.3756-0.0000 ( 7552 PWs) bands (ev): -0.3621 -0.3621 0.9275 0.9275 1.1824 1.1824 1.2940 1.2940 1.3628 1.3628 1.7057 1.7057 2.6351 2.6351 2.7705 2.7705 2.8342 2.8342 2.9926 2.9926 3.0776 3.0776 3.7694 3.7694 5.8221 5.8221 5.8739 5.8739 6.5337 6.5337 6.8842 6.8842 6.9576 6.9576 7.0711 7.0711 7.2187 7.2187 7.7211 7.7211 7.7576 7.7576 7.7997 7.7997 7.9869 7.9869 8.0946 8.0946 8.6798 8.6798 8.6871 8.6871 8.7818 8.7818 9.5878 9.5878 10.1753 10.1753 10.5011 10.5011 10.9274 10.9274 k =-0.4419 0.3857-0.0000 ( 7546 PWs) bands (ev): -0.2586 -0.2586 0.8422 0.8422 1.1844 1.1844 1.2333 1.2333 1.4635 1.4635 1.7856 1.7856 2.5715 2.5715 2.6928 2.6928 2.7439 2.7439 2.9783 2.9783 3.0635 3.0635 3.7221 3.7221 5.8383 5.8383 5.9022 5.9022 6.5269 6.5269 6.8858 6.8858 6.9750 6.9750 7.0769 7.0769 7.2159 7.2159 7.7315 7.7315 7.7617 7.7617 7.8112 7.8112 8.0075 8.0075 8.1316 8.1316 8.6339 8.6339 8.6739 8.6739 8.7775 8.7775 9.5158 9.5158 10.1774 10.1774 10.6406 10.6406 11.0907 11.0907 k =-0.4535 0.3959-0.0000 ( 7554 PWs) bands (ev): -0.1531 -0.1531 0.7438 0.7438 1.1835 1.1835 1.1914 1.1914 1.5665 1.5665 1.8722 1.8722 2.4682 2.4682 2.6488 2.6488 2.6610 2.6610 2.9666 2.9666 3.0520 3.0520 3.6845 3.6845 5.8516 5.8516 5.9261 5.9261 6.5214 6.5214 6.8863 6.8863 6.9900 6.9900 7.0815 7.0815 7.2131 7.2131 7.7390 7.7390 7.7647 7.7647 7.8185 7.8185 8.0298 8.0298 8.1712 8.1712 8.5787 8.5787 8.6685 8.6685 8.7735 8.7735 9.4535 9.4535 10.1789 10.1789 10.7788 10.7788 11.2073 11.2073 k =-0.4651 0.4060-0.0000 ( 7536 PWs) bands (ev): -0.0459 -0.0459 0.6375 0.6375 1.1631 1.1631 1.1818 1.1818 1.6718 1.6718 1.9634 1.9634 2.3531 2.3531 2.5534 2.5534 2.6440 2.6440 2.9576 2.9576 3.0431 3.0431 3.6560 3.6560 5.8622 5.8622 5.9453 5.9453 6.5171 6.5171 6.8863 6.8863 7.0021 7.0021 7.0849 7.0849 7.2106 7.2106 7.7442 7.7442 7.7674 7.7674 7.8227 7.8227 8.0510 8.0510 8.2135 8.2135 8.5225 8.5225 8.6645 8.6645 8.7703 8.7703 9.4027 9.4027 10.1800 10.1800 10.9071 10.9071 11.2056 11.2056 k =-0.4767 0.4162-0.0000 ( 7538 PWs) bands (ev): 0.0621 0.0621 0.5279 0.5279 1.1453 1.1453 1.1799 1.1799 1.7792 1.7792 2.0576 2.0576 2.2367 2.2367 2.4556 2.4556 2.6345 2.6345 2.9511 2.9511 3.0367 3.0367 3.6360 3.6360 5.8699 5.8699 5.9592 5.9592 6.5140 6.5140 6.8862 6.8862 7.0109 7.0109 7.0873 7.0873 7.2086 7.2086 7.7474 7.7474 7.7695 7.7695 7.8250 7.8250 8.0683 8.0683 8.2584 8.2584 8.4666 8.4666 8.6619 8.6619 8.7678 8.7678 9.3648 9.3648 10.1807 10.1807 11.0123 11.0123 11.2106 11.2106 k =-0.4884 0.4263-0.0000 ( 7532 PWs) bands (ev): 0.1678 0.1678 0.4205 0.4205 1.1354 1.1354 1.1785 1.1785 1.8875 1.8875 2.1223 2.1223 2.1532 2.1532 2.3580 2.3580 2.6293 2.6293 2.9472 2.9472 3.0329 3.0329 3.6243 3.6243 5.8745 5.8745 5.9676 5.9676 6.5121 6.5121 6.8860 6.8860 7.0164 7.0164 7.0888 7.0888 7.2073 7.2073 7.7491 7.7491 7.7708 7.7708 7.8261 7.8261 8.0796 8.0796 8.3058 8.3058 8.4123 8.4123 8.6604 8.6604 8.7663 8.7663 9.3413 9.3413 10.1811 10.1811 11.0770 11.0770 11.2243 11.2243 k =-0.5000 0.4365-0.0000 ( 7550 PWs) bands (ev): 0.2383 0.2383 0.3493 0.3493 1.1322 1.1322 1.1780 1.1780 1.9738 1.9738 2.0340 2.0340 2.2288 2.2288 2.2816 2.2816 2.6276 2.6276 2.9459 2.9459 3.0316 3.0316 3.6204 3.6204 5.8760 5.8760 5.9704 5.9704 6.5114 6.5114 6.8860 6.8860 7.0182 7.0182 7.0892 7.0892 7.2068 7.2068 7.7496 7.7496 7.7713 7.7713 7.8264 7.8264 8.0835 8.0835 8.3456 8.3456 8.3701 8.3701 8.6599 8.6599 8.7658 8.7658 9.3333 9.3333 10.1813 10.1813 11.0966 11.0966 11.2338 11.2338 k =-0.5000 0.4365-0.0000 ( 7550 PWs) bands (ev): 0.2383 0.2383 0.3493 0.3493 1.1322 1.1322 1.1780 1.1780 1.9738 1.9738 2.0340 2.0340 2.2288 2.2288 2.2816 2.2816 2.6276 2.6276 2.9459 2.9459 3.0316 3.0316 3.6204 3.6204 5.8760 5.8760 5.9704 5.9704 6.5114 6.5114 6.8860 6.8860 7.0182 7.0182 7.0892 7.0892 7.2068 7.2068 7.7496 7.7496 7.7713 7.7713 7.8264 7.8264 8.0835 8.0835 8.3456 8.3456 8.3701 8.3701 8.6599 8.6599 8.7658 8.7658 9.3333 9.3333 10.1813 10.1813 11.0966 11.0966 11.2338 11.2338 k =-0.4901 0.4478-0.0000 ( 7536 PWs) bands (ev): 0.2380 0.2380 0.3506 0.3506 1.0317 1.0317 1.2814 1.2814 1.9752 1.9752 2.0346 2.0346 2.2274 2.2274 2.2828 2.2828 2.5867 2.5867 2.9893 2.9893 3.0136 3.0136 3.6441 3.6441 5.8768 5.8768 5.9711 5.9711 6.5092 6.5092 6.8825 6.8825 7.0173 7.0173 7.0895 7.0895 7.2078 7.2078 7.7492 7.7492 7.7708 7.7708 7.8258 7.8258 8.0835 8.0835 8.3467 8.3467 8.3527 8.3527 8.6594 8.6594 8.7856 8.7856 9.3334 9.3334 10.1882 10.1882 11.0970 11.0970 11.2139 11.2139 k =-0.4802 0.4592-0.0000 ( 7534 PWs) bands (ev): 0.2368 0.2368 0.3545 0.3545 0.9156 0.9156 1.4064 1.4064 1.9791 1.9791 2.0359 2.0359 2.2230 2.2230 2.2864 2.2864 2.4990 2.4990 2.9672 2.9672 3.0855 3.0855 3.7075 3.7075 5.8792 5.8792 5.9730 5.9730 6.5025 6.5025 6.8723 6.8723 7.0149 7.0149 7.0901 7.0901 7.2105 7.2105 7.7479 7.7479 7.7693 7.7693 7.8236 7.8236 8.0837 8.0837 8.3082 8.3082 8.3504 8.3504 8.6582 8.6582 8.8367 8.8367 9.3337 9.3337 10.2086 10.2086 11.0983 11.0983 11.1591 11.1591 k =-0.4703 0.4705-0.0000 ( 7528 PWs) bands (ev): 0.2334 0.2334 0.3610 0.3610 0.8044 0.8044 1.5330 1.5330 1.9856 1.9856 2.0370 2.0370 2.2148 2.2148 2.2923 2.2923 2.3989 2.3989 2.9079 2.9079 3.2007 3.2007 3.7970 3.7970 5.8831 5.8831 5.9761 5.9761 6.4914 6.4914 6.8558 6.8558 7.0112 7.0112 7.0911 7.0911 7.2146 7.2146 7.7458 7.7458 7.7667 7.7667 7.8198 7.8198 8.0842 8.0842 8.2500 8.2500 8.3563 8.3563 8.6566 8.6566 8.9061 8.9061 9.3341 9.3341 10.2421 10.2421 11.0789 11.0789 11.1001 11.1001 k =-0.4603 0.4819-0.0000 ( 7532 PWs) bands (ev): 0.2254 0.2254 0.3700 0.3700 0.7017 0.7017 1.6590 1.6590 1.9948 1.9948 2.0349 2.0349 2.2018 2.2018 2.2959 2.2959 2.3046 2.3046 2.8480 2.8480 3.3242 3.3242 3.9021 3.9021 5.8887 5.8887 5.9803 5.9803 6.4761 6.4761 6.8333 6.8333 7.0064 7.0064 7.0924 7.0924 7.2195 7.2195 7.7429 7.7429 7.7629 7.7629 7.8142 7.8142 8.0850 8.0850 8.1864 8.1864 8.3645 8.3645 8.6556 8.6556 8.9849 8.9849 9.3347 9.3347 10.2876 10.2876 10.9825 10.9825 11.1016 11.1016 k =-0.4504 0.4933-0.0000 ( 7550 PWs) bands (ev): 0.2081 0.2081 0.3817 0.3817 0.6123 0.6123 1.7808 1.7808 2.0065 2.0065 2.0206 2.0206 2.1843 2.1843 2.2145 2.2145 2.3117 2.3117 2.7960 2.7960 3.4524 3.4524 4.0171 4.0171 5.8957 5.8957 5.9855 5.9855 6.4568 6.4568 6.8058 6.8058 7.0007 7.0007 7.0937 7.0937 7.2245 7.2245 7.7392 7.7392 7.7577 7.7577 7.8067 7.8067 8.0863 8.0863 8.1215 8.1215 8.3749 8.3749 8.6560 8.6560 9.0687 9.0687 9.3354 9.3354 10.3441 10.3441 10.8758 10.8758 11.1020 11.1020 k =-0.4405 0.5046-0.0000 ( 7542 PWs) bands (ev): 0.1747 0.1747 0.3959 0.3959 0.5433 0.5433 1.8888 1.8888 1.9752 1.9752 2.0209 2.0209 2.1626 2.1626 2.1699 2.1699 2.3247 2.3247 2.7583 2.7583 3.5839 3.5839 4.1386 4.1386 5.9043 5.9043 5.9916 5.9916 6.4337 6.4337 6.7739 6.7739 6.9943 6.9943 7.0952 7.0952 7.2293 7.2293 7.7349 7.7349 7.7509 7.7509 7.7975 7.7975 8.0577 8.0577 8.0883 8.0883 8.3875 8.3875 8.6589 8.6589 9.1547 9.1547 9.3364 9.3364 10.4103 10.4103 10.7625 10.7625 11.0998 11.0998 k =-0.4405 0.5046-0.0000 ( 7542 PWs) bands (ev): 0.1747 0.1747 0.3959 0.3959 0.5433 0.5433 1.8888 1.8888 1.9752 1.9752 2.0209 2.0209 2.1626 2.1626 2.1699 2.1699 2.3247 2.3247 2.7583 2.7583 3.5839 3.5839 4.1386 4.1386 5.9043 5.9043 5.9916 5.9916 6.4337 6.4337 6.7739 6.7739 6.9943 6.9943 7.0952 7.0952 7.2293 7.2293 7.7349 7.7349 7.7509 7.7509 7.7975 7.7975 8.0577 8.0577 8.0883 8.0883 8.3875 8.3875 8.6589 8.6589 9.1547 9.1547 9.3364 9.3364 10.4103 10.4103 10.7625 10.7625 11.0998 11.0998 k =-0.4405 0.5046 0.0156 ( 7539 PWs) bands (ev): 0.1761 0.1761 0.3973 0.3973 0.5446 0.5446 1.8600 1.8600 1.9713 1.9713 1.9940 1.9940 2.1529 2.1529 2.2031 2.2031 2.3539 2.3539 2.7717 2.7717 3.5727 3.5727 4.1540 4.1540 5.8963 5.8963 5.9860 5.9860 6.4156 6.4156 6.7763 6.7763 6.9946 6.9946 7.0951 7.0951 7.2296 7.2296 7.7348 7.7348 7.7495 7.7495 7.7949 7.7949 8.0347 8.0347 8.1069 8.1069 8.3781 8.3781 8.6704 8.6704 9.1564 9.1564 9.3556 9.3556 10.4174 10.4174 10.7643 10.7643 11.1112 11.1112 k =-0.4405 0.5046 0.0312 ( 7537 PWs) bands (ev): 0.1803 0.1803 0.4015 0.4015 0.5486 0.5486 1.7941 1.7941 1.9320 1.9320 1.9630 1.9630 2.1273 2.1273 2.2792 2.2792 2.4231 2.4231 2.8080 2.8080 3.5433 3.5433 4.1964 4.1964 5.8725 5.8725 5.9693 5.9693 6.3651 6.3651 6.7802 6.7802 6.9956 6.9956 7.0949 7.0949 7.2305 7.2305 7.7344 7.7344 7.7449 7.7449 7.7889 7.7889 7.9980 7.9980 8.1303 8.1303 8.3522 8.3522 8.7017 8.7017 9.1634 9.1634 9.4109 9.4109 10.4395 10.4395 10.7697 10.7697 11.1435 11.1435 k =-0.4405 0.5046 0.0468 ( 7541 PWs) bands (ev): 0.1872 0.1872 0.4084 0.4084 0.5553 0.5553 1.7154 1.7154 1.8568 1.8568 1.9456 1.9456 2.0983 2.0983 2.3724 2.3724 2.5103 2.5103 2.8588 2.8588 3.5046 3.5046 4.2588 4.2588 5.8334 5.8334 5.9411 5.9411 6.2905 6.2905 6.7792 6.7792 6.9972 6.9972 7.0945 7.0945 7.2327 7.2327 7.7300 7.7300 7.7395 7.7395 7.7832 7.7832 7.9579 7.9579 8.1492 8.1492 8.3151 8.3151 8.7425 8.7425 9.1820 9.1820 9.4963 9.4963 10.4784 10.4784 10.7787 10.7787 11.1912 11.1912 k =-0.4405 0.5046 0.0624 ( 7541 PWs) bands (ev): 0.1969 0.1969 0.4181 0.4181 0.5646 0.5646 1.6334 1.6334 1.7775 1.7775 1.9114 1.9114 2.0793 2.0793 2.4739 2.4739 2.6064 2.6064 2.9140 2.9140 3.4669 3.4669 4.3344 4.3344 5.7800 5.7800 5.9008 5.9008 6.1991 6.1991 6.7693 6.7693 6.9991 6.9991 7.0939 7.0939 7.2366 7.2366 7.7164 7.7164 7.7383 7.7383 7.7798 7.7798 7.9161 7.9161 8.1638 8.1638 8.2725 8.2725 8.7767 8.7767 9.2238 9.2238 9.6052 9.6052 10.5358 10.5358 10.7914 10.7914 11.2466 11.2466 k =-0.4405 0.5046 0.0780 ( 7544 PWs) bands (ev): 0.2094 0.2094 0.4305 0.4305 0.5764 0.5764 1.5516 1.5516 1.6976 1.6976 1.8603 1.8603 2.0747 2.0747 2.5804 2.5804 2.7078 2.7078 2.9621 2.9621 3.4414 3.4414 4.4190 4.4190 5.7135 5.7135 5.8475 5.8475 6.0968 6.0968 6.7489 6.7489 7.0014 7.0014 7.0930 7.0930 7.2424 7.2424 7.6979 7.6979 7.7383 7.7383 7.7788 7.7788 7.8747 7.8747 8.1751 8.1751 8.2287 8.2287 8.7902 8.7902 9.2990 9.2990 9.7324 9.7324 10.6118 10.6118 10.8081 10.8081 11.3019 11.3019 k =-0.4405 0.5046 0.0936 ( 7541 PWs) bands (ev): 0.2246 0.2246 0.4458 0.4458 0.5906 0.5906 1.4714 1.4714 1.6186 1.6186 1.7988 1.7988 2.0805 2.0805 2.6909 2.6909 2.8131 2.8131 2.9901 2.9901 3.4409 3.4409 4.5098 4.5098 5.6354 5.6354 5.7795 5.7795 5.9893 5.9893 6.7181 6.7181 7.0041 7.0041 7.0917 7.0917 7.2494 7.2494 7.6760 7.6760 7.7383 7.7383 7.7795 7.7795 7.8362 7.8362 8.1780 8.1780 8.1928 8.1928 8.7803 8.7803 9.4077 9.4077 9.8735 9.8735 10.7054 10.7054 10.8289 10.8289 11.3515 11.3515 k =-0.4405 0.5046 0.1092 ( 7543 PWs) bands (ev): 0.2425 0.2425 0.4637 0.4637 0.6071 0.6071 1.3936 1.3936 1.5411 1.5411 1.7325 1.7325 2.0928 2.0928 2.8047 2.8047 2.9215 2.9215 2.9895 2.9895 3.4739 3.4739 4.6051 4.6051 5.5471 5.5471 5.6946 5.6946 5.8814 5.8814 6.6777 6.6777 7.0071 7.0071 7.0901 7.0901 7.2574 7.2574 7.6500 7.6500 7.7381 7.7381 7.7814 7.7814 7.8036 7.8036 8.1427 8.1427 8.1966 8.1966 8.7534 8.7534 9.5423 9.5423 10.0252 10.0252 10.8144 10.8144 10.8545 10.8545 11.3934 11.3934 k =-0.4405 0.5046 0.1248 ( 7552 PWs) bands (ev): 0.2632 0.2632 0.4845 0.4845 0.6257 0.6257 1.3188 1.3188 1.4655 1.4655 1.6643 1.6643 2.1099 2.1099 2.9213 2.9213 2.9633 2.9633 3.0331 3.0331 3.5367 3.5367 4.7036 4.7036 5.4500 5.4500 5.5922 5.5922 5.7768 5.7768 6.6287 6.6287 7.0104 7.0104 7.0882 7.0882 7.2656 7.2656 7.6197 7.6197 7.7372 7.7372 7.7764 7.7764 7.7866 7.7866 8.1056 8.1056 8.2054 8.2054 8.7165 8.7165 9.6952 9.6952 10.1847 10.1847 10.8854 10.8854 10.9366 10.9366 11.4286 11.4286 k =-0.4405 0.5046 0.1404 ( 7554 PWs) bands (ev): 0.2865 0.2865 0.5079 0.5079 0.6459 0.6459 1.2474 1.2474 1.3920 1.3920 1.5960 1.5960 2.1308 2.1308 2.9214 2.9214 3.0410 3.0410 3.1466 3.1466 3.6197 3.6197 4.8042 4.8042 5.3456 5.3456 5.4746 5.4746 5.6755 5.6755 6.5719 6.5719 7.0140 7.0140 7.0858 7.0858 7.2739 7.2739 7.5861 7.5861 7.7358 7.7358 7.7596 7.7596 7.7902 7.7902 8.0714 8.0714 8.2149 8.2149 8.6745 8.6745 9.8613 9.8613 10.3485 10.3485 10.9240 10.9240 11.0689 11.0689 11.4592 11.4592 k =-0.4405 0.5046 0.1560 ( 7561 PWs) bands (ev): 0.3125 0.3125 0.5342 0.5342 0.6671 0.6671 1.1804 1.1804 1.3209 1.3209 1.5284 1.5284 2.1549 2.1549 2.8712 2.8712 3.1630 3.1630 3.2625 3.2625 3.7152 3.7152 4.9056 4.9056 5.2352 5.2352 5.3466 5.3466 5.5758 5.5758 6.5078 6.5078 7.0178 7.0178 7.0832 7.0832 7.2819 7.2819 7.5513 7.5513 7.7334 7.7334 7.7484 7.7484 7.7956 7.7956 8.0403 8.0403 8.2251 8.2251 8.6309 8.6309 10.0371 10.0371 10.5116 10.5116 10.9738 10.9738 11.2089 11.2089 11.4870 11.4870 k =-0.4405 0.5046 0.1716 ( 7570 PWs) bands (ev): 0.3411 0.3411 0.5632 0.5632 0.6882 0.6882 1.1188 1.1188 1.2521 1.2521 1.4623 1.4623 2.1821 2.1821 2.8171 2.8171 3.2874 3.2874 3.3804 3.3804 3.8186 3.8186 5.0054 5.0054 5.1199 5.1199 5.2123 5.2123 5.4773 5.4773 6.4369 6.4369 7.0218 7.0218 7.0802 7.0802 7.2898 7.2898 7.5173 7.5173 7.7301 7.7301 7.7419 7.7419 7.8022 7.8022 8.0122 8.0122 8.2362 8.2362 8.5878 8.5878 10.2200 10.2200 10.6649 10.6649 11.0429 11.0429 11.3533 11.3533 11.5136 11.5136 k =-0.4405 0.5046 0.1872 ( 7573 PWs) bands (ev): 0.3723 0.3723 0.5949 0.5949 0.7070 0.7070 1.0649 1.0649 1.1859 1.1859 1.3980 1.3980 2.2122 2.2122 2.7615 2.7615 3.4141 3.4141 3.5001 3.5001 3.9271 3.9271 5.0008 5.0008 5.0703 5.0703 5.1003 5.1003 5.3862 5.3862 6.3596 6.3596 7.0260 7.0260 7.0768 7.0768 7.2975 7.2975 7.4853 7.4853 7.7269 7.7269 7.7381 7.7381 7.8097 7.8097 7.9867 7.9867 8.2485 8.2485 8.5463 8.5463 10.4083 10.4083 10.7945 10.7945 11.1442 11.1442 11.4970 11.4970 11.5405 11.5405 k =-0.4405 0.5046 0.2028 ( 7564 PWs) bands (ev): 0.4058 0.4058 0.6293 0.6293 0.7199 0.7199 1.0224 1.0224 1.1221 1.1221 1.3360 1.3360 2.2451 2.2451 2.7059 2.7059 3.5430 3.5430 3.6216 3.6216 4.0390 4.0390 4.8787 4.8787 4.9336 4.9336 5.1423 5.1423 5.3388 5.3388 6.2765 6.2765 7.0302 7.0302 7.0733 7.0733 7.3054 7.3054 7.4562 7.4562 7.7246 7.7246 7.7353 7.7353 7.8182 7.8182 7.9637 7.9637 8.2621 8.2621 8.5073 8.5073 10.6005 10.6005 10.8923 10.8923 11.2843 11.2843 11.5120 11.5120 11.5641 11.5641 k =-0.4405 0.5046 0.2184 ( 7562 PWs) bands (ev): 0.4417 0.4417 0.6665 0.6665 0.7214 0.7214 0.9967 0.9967 1.0609 1.0609 1.2766 1.2766 2.2806 2.2806 2.6510 2.6510 3.6739 3.6739 3.7446 3.7446 4.1525 4.1525 4.7544 4.7544 4.7940 4.7940 5.0865 5.0865 5.3898 5.3898 6.1880 6.1880 7.0346 7.0346 7.0695 7.0695 7.3137 7.3137 7.4303 7.4303 7.7233 7.7233 7.7329 7.7329 7.8277 7.8277 7.9427 7.9427 8.2770 8.2770 8.4711 8.4711 10.7951 10.7951 10.9664 10.9664 11.4208 11.4208 11.4837 11.4837 11.5910 11.5910 k =-0.4405 0.5046 0.2340 ( 7556 PWs) bands (ev): 0.4798 0.4798 0.7054 0.7054 0.7084 0.7084 0.9918 0.9918 1.0024 1.0024 1.2201 1.2201 2.3188 2.3188 2.5975 2.5975 3.8066 3.8066 3.8689 3.8689 4.2650 4.2650 4.6286 4.6286 4.6570 4.6570 4.9863 4.9863 5.4832 5.4832 6.0948 6.0948 7.0391 7.0391 7.0655 7.0655 7.3225 7.3225 7.4075 7.4075 7.7228 7.7228 7.7307 7.7307 7.8381 7.8381 7.9235 7.9235 8.2936 8.2936 8.4379 8.4379 10.9903 10.9903 11.0290 11.0290 11.3761 11.3761 11.6176 11.6176 11.6580 11.6580 k =-0.4405 0.5046 0.2496 ( 7551 PWs) bands (ev): 0.5196 0.5196 0.6794 0.6794 0.7491 0.7491 0.9463 0.9463 1.0066 1.0066 1.1669 1.1669 2.3595 2.3595 2.5457 2.5457 3.9408 3.9408 3.9943 3.9943 4.3623 4.3623 4.5020 4.5020 4.5367 4.5367 4.8752 4.8752 5.5857 5.5857 5.9976 5.9976 7.0436 7.0436 7.0612 7.0612 7.3323 7.3323 7.3878 7.3878 7.7231 7.7231 7.7287 7.7287 7.8495 7.8495 7.9061 7.9061 8.3120 8.3120 8.4075 8.4075 11.0862 11.0862 11.1847 11.1847 11.3162 11.3162 11.6458 11.6458 11.7261 11.7261 k =-0.4405 0.5046 0.2652 ( 7549 PWs) bands (ev): 0.5607 0.5607 0.6428 0.6428 0.7944 0.7944 0.8930 0.8930 1.0352 1.0352 1.1176 1.1176 2.4026 2.4026 2.4958 2.4958 4.0759 4.0759 4.1207 4.1207 4.3350 4.3350 4.3749 4.3749 4.5422 4.5422 4.7607 4.7607 5.6902 5.6902 5.8972 5.8972 7.0480 7.0480 7.0569 7.0569 7.3434 7.3434 7.3707 7.3707 7.7240 7.7240 7.7269 7.7269 7.8619 7.8619 7.8901 7.8901 8.3324 8.3324 8.3800 8.3800 11.1427 11.1427 11.2572 11.2572 11.3732 11.3732 11.6583 11.6583 11.6923 11.6923 k =-0.4405 0.5046 0.2808 ( 7548 PWs) bands (ev): 0.6023 0.6023 0.6024 0.6024 0.8423 0.8423 0.8424 0.8424 1.0732 1.0732 1.0732 1.0732 2.4481 2.4481 2.4481 2.4481 4.2102 4.2102 4.2102 4.2102 4.2477 4.2477 4.2477 4.2477 4.6464 4.6464 4.6464 4.6464 5.7944 5.7944 5.7944 5.7944 7.0525 7.0525 7.0525 7.0525 7.3561 7.3561 7.3561 7.3561 7.7253 7.7253 7.7253 7.7253 7.8754 7.8754 7.8754 7.8754 8.3550 8.3550 8.3550 8.3550 11.1994 11.1994 11.1995 11.1995 11.5456 11.5456 11.5456 11.5456 11.7235 11.7236 k =-0.4405 0.5046 0.2808 ( 7548 PWs) bands (ev): 0.6023 0.6023 0.6024 0.6024 0.8423 0.8423 0.8424 0.8424 1.0732 1.0732 1.0732 1.0732 2.4481 2.4481 2.4481 2.4481 4.2102 4.2102 4.2102 4.2102 4.2477 4.2477 4.2477 4.2477 4.6464 4.6464 4.6464 4.6464 5.7944 5.7944 5.7944 5.7944 7.0525 7.0525 7.0525 7.0525 7.3561 7.3561 7.3561 7.3561 7.7253 7.7253 7.7253 7.7253 7.8754 7.8754 7.8754 7.8754 8.3550 8.3550 8.3550 8.3550 11.1994 11.1994 11.1995 11.1995 11.5456 11.5456 11.5456 11.5456 11.7235 11.7236 k =-0.4504 0.4933 0.2808 ( 7558 PWs) bands (ev): 0.6400 0.6400 0.6401 0.6401 0.8282 0.8282 0.8282 0.8282 1.1351 1.1351 1.1352 1.1352 2.3124 2.3124 2.3125 2.3125 4.2349 4.2349 4.2349 4.2349 4.2504 4.2504 4.2504 4.2504 4.6865 4.6865 4.6865 4.6865 5.6965 5.6965 5.6965 5.6965 7.0533 7.0533 7.0534 7.0534 7.3605 7.3605 7.3605 7.3605 7.7328 7.7328 7.7328 7.7328 7.8784 7.8784 7.8784 7.8784 8.3335 8.3335 8.3335 8.3335 11.3129 11.3129 11.3129 11.3129 11.5934 11.5934 11.5934 11.5934 11.8035 11.8035 k =-0.4603 0.4819 0.2808 ( 7582 PWs) bands (ev): 0.6634 0.6634 0.6634 0.6634 0.8166 0.8166 0.8166 0.8166 1.2153 1.2153 1.2153 1.2153 2.1792 2.1792 2.1793 2.1793 4.2249 4.2249 4.2249 4.2249 4.2766 4.2766 4.2766 4.2766 4.7418 4.7418 4.7418 4.7418 5.5999 5.5999 5.5999 5.5999 7.0539 7.0539 7.0539 7.0539 7.3641 7.3641 7.3641 7.3641 7.7391 7.7391 7.7391 7.7391 7.8809 7.8809 7.8809 7.8809 8.3163 8.3163 8.3163 8.3163 11.4194 11.4194 11.4195 11.4195 11.6366 11.6366 11.6366 11.6366 11.8818 11.8818 k =-0.4703 0.4705 0.2808 ( 7586 PWs) bands (ev): 0.6768 0.6768 0.6768 0.6768 0.8075 0.8075 0.8076 0.8076 1.3087 1.3087 1.3087 1.3087 2.0493 2.0493 2.0493 2.0493 4.2170 4.2170 4.2170 4.2170 4.2922 4.2922 4.2922 4.2922 4.8068 4.8068 4.8068 4.8068 5.5072 5.5072 5.5072 5.5072 7.0544 7.0544 7.0544 7.0544 7.3669 7.3669 7.3669 7.3669 7.7440 7.7440 7.7441 7.7441 7.8828 7.8828 7.8828 7.8828 8.3031 8.3031 8.3031 8.3031 11.5154 11.5154 11.5154 11.5154 11.6736 11.6736 11.6736 11.6736 11.9562 11.9563 k =-0.4802 0.4592 0.2808 ( 7578 PWs) bands (ev): 0.6839 0.6839 0.6839 0.6839 0.8011 0.8011 0.8012 0.8012 1.4098 1.4098 1.4099 1.4099 1.9243 1.9243 1.9244 1.9244 4.2113 4.2113 4.2113 4.2113 4.3009 4.3009 4.3009 4.3009 4.8734 4.8734 4.8734 4.8734 5.4233 5.4233 5.4233 5.4233 7.0547 7.0547 7.0547 7.0547 7.3689 7.3689 7.3689 7.3689 7.7477 7.7477 7.7477 7.7477 7.8842 7.8842 7.8842 7.8842 8.2938 8.2938 8.2938 8.2938 11.5947 11.5947 11.5947 11.5947 11.7023 11.7023 11.7023 11.7023 12.0230 12.0230 k =-0.4901 0.4478 0.2808 ( 7570 PWs) bands (ev): 0.6873 0.6873 0.6874 0.6874 0.7972 0.7972 0.7973 0.7973 1.5101 1.5101 1.5101 1.5101 1.8107 1.8107 1.8107 1.8107 4.2079 4.2079 4.2079 4.2079 4.3051 4.3051 4.3051 4.3051 4.9286 4.9286 4.9286 4.9286 5.3586 5.3586 5.3586 5.3586 7.0549 7.0549 7.0549 7.0549 7.3702 7.3702 7.3702 7.3702 7.7499 7.7499 7.7499 7.7499 7.8850 7.8850 7.8850 7.8850 8.2883 8.2883 8.2883 8.2883 11.6487 11.6487 11.6487 11.6487 11.7206 11.7206 11.7206 11.7206 12.0739 12.0740 k =-0.5000 0.4365 0.2808 ( 7560 PWs) bands (ev): 0.6883 0.6883 0.6884 0.6884 0.7960 0.7960 0.7960 0.7960 1.5694 1.5694 1.5694 1.5694 1.7470 1.7470 1.7471 1.7471 4.2068 4.2068 4.2068 4.2068 4.3063 4.3063 4.3064 4.3064 4.9516 4.9516 4.9517 4.9517 5.3325 5.3325 5.3325 5.3325 7.0550 7.0550 7.0550 7.0550 7.3706 7.3706 7.3706 7.3706 7.7507 7.7507 7.7507 7.7507 7.8853 7.8853 7.8853 7.8853 8.2865 8.2865 8.2865 8.2865 11.6681 11.6681 11.6681 11.6681 11.7269 11.7269 11.7269 11.7269 12.0945 12.0945 k =-0.5000 0.4365 0.2808 ( 7560 PWs) bands (ev): 0.6883 0.6883 0.6884 0.6884 0.7960 0.7960 0.7960 0.7960 1.5694 1.5694 1.5694 1.5694 1.7470 1.7470 1.7471 1.7471 4.2068 4.2068 4.2068 4.2068 4.3063 4.3063 4.3064 4.3064 4.9516 4.9516 4.9517 4.9517 5.3325 5.3325 5.3325 5.3325 7.0550 7.0550 7.0550 7.0550 7.3706 7.3706 7.3706 7.3706 7.7507 7.7507 7.7507 7.7507 7.8853 7.8853 7.8853 7.8853 8.2865 8.2865 8.2865 8.2865 11.6681 11.6681 11.6681 11.6681 11.7269 11.7269 11.7269 11.7269 12.0945 12.0945 k =-0.5000 0.4365 0.2652 ( 7564 PWs) bands (ev): 0.6410 0.6410 0.7377 0.7377 0.7480 0.7480 0.8467 0.8467 1.5314 1.5314 1.5942 1.5942 1.7300 1.7300 1.7830 1.7830 4.0794 4.0794 4.1742 4.1742 4.3345 4.3345 4.4362 4.4362 4.8463 4.8463 5.0365 5.0365 5.2443 5.2443 5.4432 5.4432 7.0511 7.0511 7.0589 7.0589 7.3569 7.3569 7.3865 7.3865 7.7504 7.7504 7.7513 7.7513 7.8729 7.8729 7.8988 7.8988 8.2742 8.2742 8.3004 8.3004 11.5555 11.5555 11.5901 11.5901 11.7407 11.7407 11.8263 11.8263 12.0994 12.0996 k =-0.5000 0.4365 0.2496 ( 7574 PWs) bands (ev): 0.5960 0.5960 0.7026 0.7026 0.7892 0.7892 0.9000 0.9000 1.4903 1.4903 1.5924 1.5924 1.7453 1.7453 1.8278 1.8278 3.9528 3.9528 4.0420 4.0420 4.4622 4.4622 4.5524 4.5524 4.7497 4.7497 5.0218 5.0218 5.2560 5.2560 5.5579 5.5579 7.0472 7.0472 7.0627 7.0627 7.3448 7.3448 7.4049 7.4049 7.7504 7.7504 7.7521 7.7521 7.8615 7.8615 7.9135 7.9135 8.2636 8.2636 8.3162 8.3162 11.3601 11.3601 11.4970 11.4970 11.8101 11.8101 11.8254 11.8254 11.9241 11.9241 k =-0.5000 0.4365 0.2340 ( 7574 PWs) bands (ev): 0.5534 0.5534 0.6600 0.6600 0.8422 0.8422 0.9560 0.9560 1.4494 1.4494 1.5719 1.5719 1.7855 1.7855 1.8779 1.8779 3.8270 3.8270 3.9104 3.9104 4.5662 4.5662 4.5895 4.5895 4.7536 4.7536 4.9251 4.9251 5.3496 5.3496 5.6728 5.6728 7.0433 7.0433 7.0664 7.0664 7.3342 7.3342 7.4263 7.4263 7.7507 7.7507 7.7533 7.7533 7.8510 7.8510 7.9294 7.9294 8.2547 8.2547 8.3339 8.3339 11.1558 11.1558 11.3795 11.3795 11.7652 11.7652 11.7759 11.7759 11.8787 11.8787 k =-0.5000 0.4365 0.2184 ( 7578 PWs) bands (ev): 0.5134 0.5134 0.6200 0.6200 0.8962 0.8962 1.0147 1.0147 1.4100 1.4100 1.5468 1.5468 1.8367 1.8367 1.9320 1.9320 3.7024 3.7024 3.7801 3.7801 4.4702 4.4702 4.7159 4.7159 4.8128 4.8128 4.8662 4.8662 5.4584 5.4584 5.7863 5.7863 7.0396 7.0396 7.0699 7.0699 7.3245 7.3245 7.4511 7.4511 7.7512 7.7512 7.7549 7.7549 7.8414 7.8414 7.9468 7.9468 8.2473 8.2473 8.3538 8.3538 10.9490 10.9490 11.2324 11.2324 11.6642 11.6642 11.6728 11.6728 11.9465 11.9465 k =-0.5000 0.4365 0.2028 ( 7586 PWs) bands (ev): 0.4759 0.4759 0.5828 0.5828 0.9505 0.9505 1.0759 1.0759 1.3727 1.3727 1.5234 1.5234 1.8932 1.8932 1.9895 1.9895 3.5791 3.5791 3.6513 3.6513 4.3593 4.3593 4.6977 4.6977 4.8408 4.8408 4.9922 4.9922 5.5696 5.5696 5.8975 5.8975 7.0360 7.0360 7.0733 7.0733 7.3155 7.3155 7.4795 7.4795 7.7519 7.7519 7.7573 7.7573 7.8327 7.8327 7.9659 7.9659 8.2416 8.2416 8.3760 8.3760 10.7421 10.7421 11.0633 11.0633 11.5569 11.5569 11.5830 11.5830 12.0130 12.0134 k =-0.5000 0.4365 0.1872 ( 7580 PWs) bands (ev): 0.4410 0.4410 0.5484 0.5484 1.0039 1.0039 1.1397 1.1397 1.3378 1.3378 1.5048 1.5048 1.9530 1.9530 2.0502 2.0502 3.4574 3.4574 3.5244 3.5244 4.2461 4.2461 4.5825 4.5825 4.9636 4.9636 5.1183 5.1183 5.6800 5.6800 6.0061 6.0061 7.0325 7.0325 7.0764 7.0764 7.3069 7.3069 7.5116 7.5116 7.7526 7.7526 7.7607 7.7607 7.8250 7.8250 7.9868 7.9868 8.2376 8.2376 8.4006 8.4006 10.5367 10.5367 10.8838 10.8838 11.4267 11.4267 11.5197 11.5197 11.9978 11.9978 k =-0.5000 0.4365 0.1716 ( 7558 PWs) bands (ev): 0.4089 0.4089 0.5166 0.5166 1.0545 1.0545 1.2060 1.2060 1.3054 1.3054 1.4933 1.4933 2.0150 2.0150 2.1138 2.1138 3.3374 3.3374 3.3995 3.3995 4.1331 4.1331 4.4687 4.4687 5.0835 5.0835 5.2413 5.2413 5.7882 5.7882 6.1116 6.1116 7.0293 7.0293 7.0792 7.0792 7.2984 7.2984 7.5474 7.5474 7.7533 7.7533 7.7656 7.7656 7.8181 7.8181 8.0099 8.0099 8.2355 8.2355 8.4278 8.4278 10.3336 10.3336 10.7016 10.7016 11.2878 11.2878 11.4680 11.4680 11.9255 11.9255 k =-0.5000 0.4365 0.1560 ( 7546 PWs) bands (ev): 0.3794 0.3794 0.4876 0.4876 1.0997 1.0997 1.2746 1.2746 1.2759 1.2759 1.4922 1.4922 2.0785 2.0785 2.1802 2.1802 3.2193 3.2193 3.2770 3.2770 4.0209 4.0209 4.3571 4.3571 5.1996 5.1996 5.3593 5.3593 5.8930 5.8930 6.2139 6.2139 7.0263 7.0263 7.0817 7.0817 7.2897 7.2897 7.5860 7.5860 7.7538 7.7538 7.7726 7.7726 7.8123 7.8123 8.0353 8.0353 8.2355 8.2355 8.4578 8.4578 10.1339 10.1339 10.5210 10.5210 11.1453 11.1453 11.4240 11.4240 11.8393 11.8393 k =-0.5000 0.4365 0.1404 ( 7550 PWs) bands (ev): 0.3527 0.3527 0.4614 0.4614 1.1362 1.1362 1.2486 1.2486 1.3459 1.3459 1.5045 1.5045 2.1428 2.1428 2.2494 2.2494 3.1033 3.1033 3.1570 3.1570 3.9099 3.9099 4.2484 4.2484 5.3109 5.3109 5.4705 5.4705 5.9935 5.9935 6.3128 6.3128 7.0236 7.0236 7.0838 7.0838 7.2807 7.2807 7.6261 7.6261 7.7540 7.7540 7.7826 7.7826 7.8078 7.8078 8.0633 8.0633 8.2378 8.2378 8.4904 8.4904 9.9381 9.9381 10.3446 10.3446 11.0028 11.0028 11.3861 11.3861 11.7426 11.7426 k =-0.5000 0.4365 0.1248 ( 7548 PWs) bands (ev): 0.3288 0.3288 0.4379 0.4379 1.1619 1.1619 1.2243 1.2243 1.4194 1.4194 1.5326 1.5326 2.2070 2.2070 2.3212 2.3212 2.9895 2.9895 3.0401 3.0401 3.8003 3.8003 4.1433 4.1433 5.4162 5.4162 5.5733 5.5733 6.0886 6.0886 6.4083 6.4083 7.0212 7.0212 7.0856 7.0856 7.2711 7.2711 7.6653 7.6653 7.7541 7.7541 7.7956 7.7956 7.8066 7.8066 8.0942 8.0942 8.2427 8.2427 8.5257 8.5257 9.7471 9.7471 10.1744 10.1744 10.8632 10.8632 11.3531 11.3531 11.6398 11.6398 k =-0.5000 0.4365 0.1092 ( 7554 PWs) bands (ev): 0.3076 0.3076 0.4171 0.4171 1.1768 1.1768 1.2028 1.2028 1.4950 1.4950 1.5763 1.5763 2.2698 2.2698 2.3956 2.3956 2.8781 2.8781 2.9270 2.9270 3.6924 3.6924 4.0428 4.0428 5.5143 5.5143 5.6659 5.6659 6.1773 6.1773 6.5002 6.5002 7.0191 7.0191 7.0870 7.0870 7.2612 7.2612 7.6999 7.6999 7.7540 7.7540 7.7992 7.7992 7.8239 7.8239 8.1280 8.1280 8.2506 8.2506 8.5632 8.5632 9.5618 9.5618 10.0121 10.0121 10.7290 10.7290 11.3245 11.3245 11.5357 11.5357 k =-0.5000 0.4365 0.0936 ( 7562 PWs) bands (ev): 0.2893 0.2893 0.3991 0.3991 1.1831 1.1831 1.1846 1.1846 1.5725 1.5725 1.6330 1.6330 2.3289 2.3289 2.4725 2.4725 2.7695 2.7695 2.8190 2.8190 3.5864 3.5864 3.9480 3.9480 5.6035 5.6035 5.7472 5.7472 6.2584 6.2584 6.5875 6.5875 7.0175 7.0175 7.0880 7.0880 7.2508 7.2508 7.7266 7.7266 7.7539 7.7539 7.7990 7.7990 7.8564 7.8564 8.1645 8.1645 8.2617 8.2617 8.6021 8.6021 9.3836 9.3836 9.8597 9.8597 10.6029 10.6029 11.3000 11.3000 11.4348 11.4348 k =-0.5000 0.4365 0.0780 ( 7556 PWs) bands (ev): 0.2737 0.2737 0.3839 0.3839 1.1683 1.1683 1.1852 1.1852 1.6516 1.6516 1.6992 1.6992 2.3798 2.3798 2.5518 2.5518 2.6642 2.6642 2.7197 2.7197 3.4822 3.4822 3.8605 3.8605 5.6826 5.6826 5.8161 5.8161 6.3307 6.3307 6.6688 6.6688 7.0164 7.0164 7.0887 7.0887 7.2404 7.2404 7.7441 7.7441 7.7546 7.7546 7.8008 7.8008 7.8977 7.8977 8.2031 8.2031 8.2761 8.2761 8.6414 8.6414 9.2139 9.2139 9.7193 9.7193 10.4873 10.4873 11.2794 11.2794 11.3413 11.3413 k =-0.5000 0.4365 0.0624 ( 7548 PWs) bands (ev): 0.2610 0.2610 0.3715 0.3715 1.1553 1.1553 1.1841 1.1841 1.7314 1.7314 1.7722 1.7722 2.4102 2.4102 2.5626 2.5626 2.6334 2.6334 2.6400 2.6400 3.3802 3.3802 3.7822 3.7822 5.7499 5.7499 5.8722 5.8722 6.3927 6.3927 6.7414 6.7414 7.0159 7.0159 7.0891 7.0891 7.2302 7.2302 7.7499 7.7499 7.7602 7.7602 7.8053 7.8053 7.9441 7.9441 8.2426 8.2426 8.2936 8.2936 8.6794 8.6794 9.0551 9.0551 9.5940 9.5940 10.3853 10.3853 11.2559 11.2559 11.2656 11.2656 k =-0.5000 0.4365 0.0468 ( 7546 PWs) bands (ev): 0.2511 0.2511 0.3618 0.3618 1.1452 1.1452 1.1820 1.1820 1.8106 1.8106 1.8493 1.8493 2.3948 2.3948 2.4667 2.4667 2.6030 2.6030 2.7173 2.7173 3.2806 3.2806 3.7158 3.7158 5.8040 5.8040 5.9155 5.9155 6.4432 6.4432 6.8023 6.8023 7.0160 7.0160 7.0892 7.0892 7.2210 7.2210 7.7502 7.7502 7.7662 7.7662 7.8121 7.8121 7.9921 7.9921 8.2805 8.2805 8.3140 8.3140 8.7136 8.7136 8.9108 8.9108 9.4875 9.4875 10.3002 10.3002 11.1899 11.1899 11.2505 11.2505 k =-0.5000 0.4365 0.0312 ( 7528 PWs) bands (ev): 0.2440 0.2440 0.3548 0.3548 1.1380 1.1380 1.1800 1.1800 1.8856 1.8856 1.9273 1.9273 2.3341 2.3341 2.3796 2.3796 2.6079 2.6079 2.8028 2.8028 3.1838 3.1838 3.6644 3.6644 5.8437 5.8437 5.9462 5.9462 6.4806 6.4806 6.8482 6.8482 7.0167 7.0167 7.0893 7.0893 7.2135 7.2135 7.7500 7.7500 7.7694 7.7694 7.8193 7.8193 8.0369 8.0369 8.3136 8.3136 8.3367 8.3367 8.7411 8.7411 8.7871 8.7871 9.4048 9.4048 10.2356 10.2356 11.1389 11.1389 11.2411 11.2411 k =-0.5000 0.4365 0.0156 ( 7536 PWs) bands (ev): 0.2397 0.2397 0.3507 0.3507 1.1336 1.1336 1.1785 1.1785 1.9472 1.9472 1.9983 1.9983 2.2649 2.2649 2.3107 2.3107 2.6217 2.6217 2.8876 2.8876 3.0921 3.0921 3.6317 3.6317 5.8679 5.8679 5.9644 5.9644 6.5037 6.5037 6.8765 6.8765 7.0177 7.0177 7.0893 7.0893 7.2085 7.2085 7.7497 7.7497 7.7709 7.7709 7.8246 7.8246 8.0706 8.0706 8.3371 8.3371 8.3590 8.3590 8.6958 8.6958 8.7595 8.7595 9.3518 9.3518 10.1951 10.1951 11.1073 11.1073 11.2356 11.2356 k =-0.5000 0.4365-0.0000 ( 7550 PWs) bands (ev): 0.2383 0.2383 0.3493 0.3493 1.1322 1.1322 1.1780 1.1780 1.9738 1.9738 2.0340 2.0340 2.2288 2.2288 2.2816 2.2816 2.6276 2.6276 2.9459 2.9459 3.0316 3.0316 3.6204 3.6204 5.8760 5.8760 5.9704 5.9704 6.5114 6.5114 6.8860 6.8860 7.0182 7.0182 7.0892 7.0892 7.2068 7.2068 7.7496 7.7496 7.7713 7.7713 7.8264 7.8264 8.0835 8.0835 8.3456 8.3456 8.3701 8.3701 8.6599 8.6599 8.7658 8.7658 9.3333 9.3333 10.1813 10.1813 11.0966 11.0966 11.2338 11.2338 k = 0.0000 0.0000 0.2808 ( 7508 PWs) bands (ev): -1.8321 -1.8321 -1.8320 -1.8320 1.8702 1.8702 1.8702 1.8702 3.7735 3.7735 3.7736 3.7736 3.9632 3.9632 3.9632 3.9632 4.1501 4.1501 4.1502 4.1502 4.3114 4.3114 4.3114 4.3114 6.3700 6.3700 6.3700 6.3700 6.4529 6.4529 6.4529 6.4529 6.5769 6.5769 6.5769 6.5769 7.1182 7.1182 7.1182 7.1182 7.2994 7.2994 7.2995 7.2995 7.8254 7.8254 7.8254 7.8254 7.8874 7.8874 7.8874 7.8874 9.4390 9.4390 9.4390 9.4390 9.4772 9.4772 9.4773 9.4773 9.6224 9.6225 k =-0.0116 0.0102 0.2808 ( 7506 PWs) bands (ev): -1.8307 -1.8307 -1.8306 -1.8306 1.8715 1.8715 1.8715 1.8715 3.7556 3.7556 3.7557 3.7557 3.9120 3.9120 3.9139 3.9139 4.2014 4.2014 4.2031 4.2031 4.3304 4.3304 4.3309 4.3309 6.3469 6.3469 6.3487 6.3487 6.4650 6.4650 6.4713 6.4713 6.5696 6.5696 6.5751 6.5751 7.1169 7.1169 7.1173 7.1173 7.3016 7.3016 7.3023 7.3023 7.7996 7.7996 7.8203 7.8203 7.8834 7.8834 7.9072 7.9072 9.4146 9.4146 9.4237 9.4237 9.4730 9.4730 9.4903 9.4903 9.6364 9.6364 k =-0.0233 0.0203 0.2808 ( 7502 PWs) bands (ev): -1.8263 -1.8263 -1.8263 -1.8263 1.8752 1.8752 1.8753 1.8753 3.7080 3.7080 3.7080 3.7080 3.8195 3.8195 3.8219 3.8219 4.2989 4.2989 4.3009 4.3009 4.3817 4.3817 4.3826 4.3826 6.3012 6.3012 6.3027 6.3027 6.4844 6.4844 6.4958 6.4958 6.5561 6.5561 6.5681 6.5681 7.1130 7.1130 7.1136 7.1136 7.3084 7.3084 7.3094 7.3094 7.7627 7.7627 7.7856 7.7856 7.8949 7.8949 7.9241 7.9241 9.3767 9.3767 9.3792 9.3792 9.4840 9.4840 9.4976 9.4976 9.6683 9.6683 k =-0.0349 0.0305 0.2808 ( 7506 PWs) bands (ev): -1.8191 -1.8191 -1.8191 -1.8191 1.8814 1.8814 1.8815 1.8815 3.6418 3.6418 3.6419 3.6419 3.7201 3.7201 3.7228 3.7228 4.4070 4.4070 4.4091 4.4091 4.4540 4.4540 4.4552 4.4552 6.2460 6.2460 6.2468 6.2468 6.4851 6.4851 6.4960 6.4960 6.5547 6.5547 6.5675 6.5675 7.1050 7.1050 7.1058 7.1058 7.3187 7.3187 7.3198 7.3198 7.7224 7.7224 7.7428 7.7428 7.9046 7.9046 7.9342 7.9342 9.3334 9.3334 9.3366 9.3366 9.4991 9.4991 9.5076 9.5076 9.7040 9.7040 k =-0.0465 0.0406 0.2808 ( 7496 PWs) bands (ev): -1.8091 -1.8091 -1.8090 -1.8090 1.8902 1.8902 1.8903 1.8903 3.5653 3.5653 3.5658 3.5658 3.6204 3.6204 3.6236 3.6236 4.5189 4.5189 4.5207 4.5207 4.5387 4.5387 4.5404 4.5404 6.1841 6.1841 6.1844 6.1844 6.4602 6.4602 6.4644 6.4644 6.5713 6.5713 6.5783 6.5783 7.0907 7.0907 7.0912 7.0912 7.3312 7.3312 7.3321 7.3321 7.6844 7.6844 7.7008 7.7008 7.9094 7.9094 7.9379 7.9379 9.2929 9.2929 9.3001 9.3001 9.5195 9.5195 9.5236 9.5236 9.7424 9.7424 k =-0.0581 0.0508 0.2808 ( 7504 PWs) bands (ev): -1.7961 -1.7961 -1.7960 -1.7960 1.9013 1.9013 1.9015 1.9015 3.4830 3.4830 3.4840 3.4840 3.5227 3.5227 3.5264 3.5264 4.6276 4.6276 4.6277 4.6277 4.6355 4.6355 4.6392 4.6392 6.1161 6.1161 6.1162 6.1162 6.4197 6.4197 6.4199 6.4199 6.5876 6.5876 6.5907 6.5907 7.0670 7.0670 7.0675 7.0675 7.3446 7.3446 7.3453 7.3453 7.6543 7.6543 7.6662 7.6662 7.9095 7.9095 7.9363 7.9363 9.2592 9.2592 9.2694 9.2694 9.5458 9.5458 9.5462 9.5462 9.7835 9.7835 k =-0.0698 0.0609 0.2808 ( 7506 PWs) bands (ev): -1.7803 -1.7803 -1.7802 -1.7802 1.9149 1.9149 1.9151 1.9151 3.3969 3.3969 3.3981 3.3981 3.4286 3.4286 3.4326 3.4326 4.7245 4.7245 4.7247 4.7247 4.7489 4.7489 4.7526 4.7526 6.0422 6.0422 6.0426 6.0426 6.3682 6.3682 6.3711 6.3711 6.5983 6.5983 6.5987 6.5987 7.0316 7.0316 7.0337 7.0337 7.3587 7.3587 7.3593 7.3593 7.6361 7.6361 7.6438 7.6438 7.9059 7.9059 7.9307 7.9307 9.2320 9.2320 9.2443 9.2443 9.5750 9.5750 9.5780 9.5780 9.8271 9.8271 k =-0.0814 0.0711 0.2808 ( 7518 PWs) bands (ev): -1.7616 -1.7616 -1.7614 -1.7614 1.9309 1.9309 1.9311 1.9311 3.3080 3.3080 3.3091 3.3091 3.3392 3.3392 3.3431 3.3431 4.8219 4.8219 4.8220 4.8220 4.8633 4.8633 4.8673 4.8673 5.9631 5.9631 5.9636 5.9636 6.3127 6.3127 6.3173 6.3173 6.5994 6.5994 6.6013 6.6013 6.9860 6.9860 6.9903 6.9903 7.3737 7.3737 7.3749 7.3749 7.6307 7.6307 7.6349 7.6349 7.8995 7.8995 7.9224 7.9224 9.2104 9.2104 9.2243 9.2243 9.6087 9.6087 9.6147 9.6147 9.8727 9.8727 k =-0.0930 0.0812 0.2808 ( 7530 PWs) bands (ev): -1.7400 -1.7400 -1.7399 -1.7399 1.9491 1.9491 1.9494 1.9494 3.2179 3.2179 3.2186 3.2186 3.2540 3.2540 3.2574 3.2574 4.9184 4.9184 4.9191 4.9191 4.9759 4.9759 4.9809 4.9809 5.8800 5.8800 5.8804 5.8804 6.2553 6.2553 6.2609 6.2609 6.5906 6.5906 6.5948 6.5948 6.9347 6.9347 6.9412 6.9412 7.3903 7.3903 7.3927 7.3927 7.6363 7.6363 7.6381 7.6381 7.8914 7.8914 7.9125 7.9125 9.1936 9.1936 9.2088 9.2088 9.6447 9.6447 9.6534 9.6534 9.9195 9.9195 k =-0.1047 0.0914 0.2808 ( 7530 PWs) bands (ev): -1.7156 -1.7156 -1.7154 -1.7154 1.9695 1.9695 1.9698 1.9698 3.1284 3.1284 3.1286 3.1286 3.1718 3.1718 3.1748 3.1748 5.0111 5.0111 5.0131 5.0131 5.0844 5.0844 5.0910 5.0910 5.7962 5.7962 5.7966 5.7966 6.1976 6.1976 6.2039 6.2039 6.5706 6.5706 6.5769 6.5769 6.8834 6.8834 6.8920 6.8920 7.4091 7.4091 7.4129 7.4129 7.6500 7.6500 7.6503 7.6503 7.8824 7.8824 7.9018 7.9018 9.1810 9.1810 9.1973 9.1973 9.6794 9.6794 9.6902 9.6902 9.9672 9.9672 k =-0.1163 0.1015 0.2808 ( 7536 PWs) bands (ev): -1.6883 -1.6883 -1.6881 -1.6881 1.9920 1.9920 1.9924 1.9924 3.0402 3.0402 3.0403 3.0403 3.0921 3.0921 3.0947 3.0947 5.0935 5.0935 5.0975 5.0975 5.1851 5.1851 5.1943 5.1943 5.7199 5.7199 5.7206 5.7206 6.1412 6.1412 6.1479 6.1479 6.5384 6.5384 6.5462 6.5462 6.8374 6.8374 6.8475 6.8475 7.4300 7.4300 7.4355 7.4355 7.6687 7.6687 7.6692 7.6692 7.8730 7.8730 7.8911 7.8911 9.1721 9.1721 9.1893 9.1893 9.7079 9.7079 9.7204 9.7204 10.0156 10.0156 k =-0.1279 0.1117 0.2808 ( 7528 PWs) bands (ev): -1.6581 -1.6581 -1.6579 -1.6579 2.0164 2.0164 2.0168 2.0168 2.9539 2.9539 2.9543 2.9543 3.0148 3.0148 3.0172 3.0172 5.1490 5.1490 5.1551 5.1551 5.2745 5.2745 5.2871 5.2871 5.6698 5.6698 5.6713 5.6713 6.0879 6.0879 6.0948 6.0948 6.4949 6.4949 6.5034 6.5034 6.7991 6.7991 6.8097 6.8097 7.4528 7.4528 7.4599 7.4599 7.6913 7.6913 7.6919 7.6919 7.8639 7.8639 7.8808 7.8808 9.1669 9.1669 9.1848 9.1848 9.7253 9.7253 9.7385 9.7385 10.0657 10.0657 k =-0.1395 0.1218 0.2808 ( 7536 PWs) bands (ev): -1.6251 -1.6251 -1.6248 -1.6248 2.0423 2.0423 2.0429 2.0429 2.8700 2.8700 2.8707 2.8707 2.9402 2.9402 2.9424 2.9424 5.1489 5.1489 5.1543 5.1543 5.3563 5.3563 5.3701 5.3701 5.6714 5.6714 5.6744 5.6744 6.0396 6.0396 6.0467 6.0467 6.4436 6.4436 6.4520 6.4520 6.7674 6.7674 6.7778 6.7778 7.4768 7.4768 7.4857 7.4857 7.7163 7.7163 7.7168 7.7168 7.8556 7.8556 7.8716 7.8716 9.1653 9.1653 9.1838 9.1838 9.7273 9.7273 9.7404 9.7404 10.1181 10.1181 k =-0.1512 0.1320 0.2808 ( 7546 PWs) bands (ev): -1.5892 -1.5892 -1.5890 -1.5890 2.0694 2.0694 2.0701 2.0701 2.7889 2.7889 2.7898 2.7898 2.8685 2.8685 2.8706 2.8706 5.0855 5.0855 5.0890 5.0890 5.4337 5.4337 5.4464 5.4464 5.7253 5.7253 5.7292 5.7292 5.9992 5.9992 6.0068 6.0068 6.3891 6.3891 6.3970 6.3970 6.7395 6.7395 6.7495 6.7495 7.5019 7.5019 7.5125 7.5125 7.7427 7.7427 7.7428 7.7428 7.8486 7.8486 7.8639 7.8639 9.1673 9.1673 9.1863 9.1863 9.7126 9.7126 9.7250 9.7250 10.1729 10.1729 k =-0.1628 0.1421 0.2808 ( 7550 PWs) bands (ev): -1.5505 -1.5505 -1.5502 -1.5502 2.0971 2.0971 2.0979 2.0979 2.7108 2.7108 2.7119 2.7119 2.8003 2.8003 2.8024 2.8024 4.9817 4.9817 4.9838 4.9838 5.5009 5.5009 5.5120 5.5120 5.8054 5.8054 5.8098 5.8098 5.9716 5.9716 5.9800 5.9800 6.3366 6.3366 6.3440 6.3440 6.7131 6.7131 6.7224 6.7224 7.5275 7.5275 7.5400 7.5400 7.7685 7.7685 7.7695 7.7695 7.8440 7.8440 7.8589 7.8589 9.1732 9.1732 9.1925 9.1925 9.6826 9.6826 9.6940 9.6940 10.2291 10.2291 k =-0.1744 0.1523 0.2808 ( 7550 PWs) bands (ev): -1.5090 -1.5090 -1.5087 -1.5087 2.1241 2.1241 2.1251 2.1251 2.6359 2.6359 2.6373 2.6373 2.7366 2.7366 2.7386 2.7386 4.8568 4.8568 4.8579 4.8579 5.5484 5.5484 5.5577 5.5577 5.8897 5.8897 5.8943 5.8943 5.9632 5.9632 5.9730 5.9730 6.2937 6.2937 6.3003 6.3003 6.6862 6.6862 6.6951 6.6951 7.5532 7.5532 7.5677 7.5677 7.7917 7.7917 7.7941 7.7941 7.8439 7.8439 7.8587 7.8587 9.1833 9.1833 9.2026 9.2026 9.6410 9.6410 9.6510 9.6510 10.2851 10.2851 k =-0.1860 0.1624 0.2808 ( 7544 PWs) bands (ev): -1.4646 -1.4646 -1.4643 -1.4643 2.1488 2.1488 2.1500 2.1500 2.5647 2.5647 2.5663 2.5663 2.6787 2.6787 2.6806 2.6806 4.7201 4.7201 4.7207 4.7207 5.5689 5.5689 5.5764 5.5764 5.9559 5.9559 5.9563 5.9563 5.9866 5.9866 5.9923 5.9923 6.2739 6.2739 6.2795 6.2795 6.6579 6.6579 6.6666 6.6666 7.5785 7.5785 7.5953 7.5953 7.8085 7.8085 7.8113 7.8113 7.8537 7.8537 7.8672 7.8672 9.1979 9.1979 9.2170 9.2170 9.5921 9.5921 9.6006 9.6006 10.3396 10.3396 k =-0.1977 0.1726 0.2808 ( 7550 PWs) bands (ev): -1.4174 -1.4174 -1.4170 -1.4170 2.1682 2.1682 2.1697 2.1697 2.4975 2.4975 2.4995 2.4995 2.6291 2.6291 2.6311 2.6311 4.5764 4.5764 4.5766 4.5766 5.5641 5.5641 5.5700 5.5700 5.9665 5.9665 5.9709 5.9709 6.0461 6.0461 6.0479 6.0479 6.2947 6.2947 6.2990 6.2990 6.6282 6.6282 6.6368 6.6368 7.6029 7.6029 7.6221 7.6221 7.8174 7.8174 7.8194 7.8194 7.8752 7.8752 7.8860 7.8860 9.2175 9.2175 9.2359 9.2359 9.5406 9.5406 9.5473 9.5473 10.3929 10.3929 k =-0.2093 0.1827 0.2808 ( 7546 PWs) bands (ev): -1.3674 -1.3674 -1.3670 -1.3670 2.1780 2.1780 2.1799 2.1799 2.4350 2.4350 2.4372 2.4372 2.5919 2.5919 2.5939 2.5939 4.4282 4.4282 4.4282 4.4282 5.5421 5.5421 5.5470 5.5470 5.9468 5.9468 5.9494 5.9494 6.1103 6.1103 6.1138 6.1138 6.3533 6.3533 6.3564 6.3564 6.5982 6.5982 6.6070 6.6070 7.6257 7.6257 7.6476 7.6476 7.8227 7.8227 7.8255 7.8255 7.9020 7.9020 7.9111 7.9111 9.2424 9.2424 9.2592 9.2592 9.4909 9.4909 9.4950 9.4950 10.4449 10.4449 k =-0.2209 0.1929 0.2808 ( 7540 PWs) bands (ev): -1.3145 -1.3145 -1.3141 -1.3141 2.1736 2.1736 2.1756 2.1756 2.3771 2.3771 2.3795 2.3795 2.5717 2.5717 2.5738 2.5738 4.2770 4.2770 4.2773 4.2773 5.5108 5.5108 5.5150 5.5150 5.9078 5.9078 5.9092 5.9092 6.1769 6.1769 6.1807 6.1807 6.4254 6.4254 6.4266 6.4266 6.5745 6.5745 6.5830 6.5830 7.6460 7.6460 7.6707 7.6707 7.8288 7.8288 7.8336 7.8336 7.9299 7.9299 7.9385 7.9385 9.2731 9.2731 9.2864 9.2864 9.4478 9.4478 9.4480 9.4480 10.4959 10.4959 k =-0.2326 0.2030 0.2808 ( 7532 PWs) bands (ev): -1.2589 -1.2589 -1.2585 -1.2585 2.1527 2.1527 2.1547 2.1547 2.3230 2.3230 2.3255 2.3255 2.5716 2.5716 2.5735 2.5735 4.1242 4.1242 4.1247 4.1247 5.4749 5.4749 5.4785 5.4785 5.8603 5.8603 5.8612 5.8612 6.2395 6.2395 6.2415 6.2415 6.4698 6.4698 6.4770 6.4770 6.5859 6.5859 6.5890 6.5890 7.6631 7.6631 7.6903 7.6903 7.8378 7.8378 7.8452 7.8452 7.9577 7.9577 7.9664 7.9664 9.3096 9.3096 9.3141 9.3141 9.4095 9.4095 9.4189 9.4189 10.5463 10.5463 k =-0.2442 0.2132 0.2808 ( 7540 PWs) bands (ev): -1.2005 -1.2005 -1.2001 -1.2001 2.1184 2.1184 2.1202 2.1202 2.2715 2.2715 2.2740 2.2740 2.5898 2.5898 2.5916 2.5916 3.9707 3.9707 3.9713 3.9713 5.4369 5.4369 5.4402 5.4402 5.8094 5.8094 5.8103 5.8103 6.2826 6.2826 6.2853 6.2853 6.4716 6.4716 6.4892 6.4892 6.6480 6.6480 6.6500 6.6500 7.6767 7.6767 7.7059 7.7059 7.8504 7.8504 7.8603 7.8603 7.9845 7.9845 7.9938 7.9938 9.3310 9.3310 9.3472 9.3472 9.3880 9.3880 9.4186 9.4186 10.5964 10.5964 k =-0.2558 0.2233 0.2808 ( 7544 PWs) bands (ev): -1.1394 -1.1394 -1.1389 -1.1389 2.0759 2.0759 2.0773 2.0773 2.2216 2.2216 2.2240 2.2240 2.6219 2.6219 2.6236 2.6236 3.8171 3.8171 3.8179 3.8179 5.3984 5.3984 5.4014 5.4014 5.7576 5.7576 5.7585 5.7585 6.2865 6.2865 6.2929 6.2929 6.4867 6.4867 6.5099 6.5099 6.7247 6.7247 6.7285 6.7285 7.6871 7.6871 7.7173 7.7173 7.8661 7.8661 7.8781 7.8781 8.0100 8.0100 8.0201 8.0201 9.3341 9.3341 9.3557 9.3557 9.4169 9.4169 9.4530 9.4530 10.6468 10.6468 k =-0.2674 0.2335 0.2808 ( 7540 PWs) bands (ev): -1.0754 -1.0754 -1.0749 -1.0749 2.0293 2.0293 2.0304 2.0304 2.1729 2.1729 2.1754 2.1754 2.6638 2.6638 2.6653 2.6653 3.6641 3.6641 3.6650 3.6650 5.3602 5.3602 5.3629 5.3629 5.7058 5.7058 5.7070 5.7070 6.2550 6.2550 6.2611 6.2611 6.5288 6.5288 6.5527 6.5527 6.8013 6.8013 6.8060 6.8060 7.6948 7.6948 7.7254 7.7254 7.8834 7.8834 7.8971 7.8971 8.0340 8.0340 8.0450 8.0450 9.3411 9.3411 9.3586 9.3586 9.4751 9.4751 9.5072 9.5072 10.6978 10.7003 k =-0.2791 0.2436 0.2808 ( 7544 PWs) bands (ev): -1.0087 -1.0087 -1.0082 -1.0082 1.9813 1.9813 1.9822 1.9822 2.1257 2.1257 2.1281 2.1281 2.7123 2.7123 2.7137 2.7137 3.5124 3.5124 3.5135 3.5135 5.3228 5.3228 5.3253 5.3253 5.6547 5.6547 5.6561 5.6561 6.2035 6.2035 6.2087 6.2087 6.5815 6.5815 6.6050 6.6050 6.8735 6.8735 6.8788 6.8788 7.7007 7.7007 7.7310 7.7310 7.9003 7.9003 7.9153 7.9153 8.0566 8.0566 8.0685 8.0685 9.3615 9.3615 9.3764 9.3764 9.5443 9.5443 9.5735 9.5735 10.7495 10.7495 k =-0.2907 0.2538 0.2808 ( 7548 PWs) bands (ev): -0.9393 -0.9393 -0.9388 -0.9388 1.9335 1.9335 1.9342 1.9342 2.0800 2.0800 2.0825 2.0825 2.7651 2.7651 2.7665 2.7665 3.3631 3.3631 3.3643 3.3643 5.2866 5.2866 5.2889 5.2889 5.6043 5.6043 5.6059 5.6059 6.1413 6.1413 6.1458 6.1458 6.6354 6.6354 6.6584 6.6584 6.9398 6.9398 6.9457 6.9457 7.7053 7.7053 7.7350 7.7350 7.9151 7.9151 7.9309 7.9309 8.0782 8.0782 8.0907 8.0907 9.3983 9.3983 9.4115 9.4115 9.6229 9.6229 9.6501 9.6501 10.8027 10.8044 k =-0.3023 0.2639 0.2808 ( 7564 PWs) bands (ev): -0.8672 -0.8672 -0.8666 -0.8666 1.8867 1.8867 1.8871 1.8871 2.0361 2.0361 2.0385 2.0385 2.8194 2.8194 2.8207 2.8207 3.2182 3.2182 3.2196 3.2196 5.2517 5.2517 5.2538 5.2538 5.5545 5.5545 5.5564 5.5564 6.0725 6.0725 6.0766 6.0766 6.6870 6.6870 6.7096 6.7096 6.9997 6.9997 7.0062 7.0062 7.7091 7.7091 7.7380 7.7380 7.9263 7.9263 7.9426 7.9426 8.0992 8.0992 8.1119 8.1119 9.4524 9.4524 9.4642 9.4642 9.7110 9.7110 9.7364 9.7364 10.8568 10.8576 k =-0.3140 0.2741 0.2808 ( 7572 PWs) bands (ev): -0.7924 -0.7924 -0.7917 -0.7917 1.8411 1.8411 1.8414 1.8414 1.9939 1.9939 1.9964 1.9964 2.8659 2.8659 2.8670 2.8670 3.0868 3.0868 3.0883 3.0883 5.2183 5.2183 5.2204 5.2204 5.5050 5.5050 5.5073 5.5073 5.9993 5.9993 6.0033 6.0033 6.7351 6.7351 6.7573 6.7573 7.0534 7.0534 7.0602 7.0602 7.7124 7.7124 7.7405 7.7405 7.9337 7.9337 7.9498 7.9498 8.1199 8.1199 8.1322 8.1322 9.5234 9.5234 9.5342 9.5342 9.8082 9.8082 9.8321 9.8321 10.9136 10.9141 k =-0.3256 0.2842 0.2808 ( 7574 PWs) bands (ev): -0.7149 -0.7149 -0.7142 -0.7142 1.7972 1.7972 1.7973 1.7973 1.9536 1.9536 1.9562 1.9562 2.8518 2.8518 2.8520 2.8520 3.0226 3.0226 3.0230 3.0230 5.1866 5.1866 5.1886 5.1886 5.4554 5.4554 5.4580 5.4580 5.9236 5.9236 5.9276 5.9276 6.7792 6.7792 6.8010 6.8010 7.1011 7.1011 7.1082 7.1082 7.7155 7.7155 7.7426 7.7426 7.9371 7.9371 7.9527 7.9527 8.1401 8.1401 8.1516 8.1516 9.6103 9.6103 9.6202 9.6202 9.9145 9.9145 9.9369 9.9369 10.9694 10.9698 k =-0.3372 0.2944 0.2808 ( 7566 PWs) bands (ev): -0.6348 -0.6348 -0.6340 -0.6340 1.7547 1.7547 1.7547 1.7547 1.9151 1.9151 1.9178 1.9178 2.7411 2.7411 2.7425 2.7425 3.0592 3.0592 3.0597 3.0597 5.1567 5.1567 5.1585 5.1585 5.4050 5.4050 5.4078 5.4078 5.8470 5.8470 5.8510 5.8510 6.8193 6.8193 6.8404 6.8404 7.1431 7.1431 7.1504 7.1504 7.7184 7.7184 7.7444 7.7444 7.9372 7.9372 7.9521 7.9521 8.1596 8.1596 8.1700 8.1700 9.7117 9.7117 9.7208 9.7208 10.0296 10.0296 10.0505 10.0505 11.0288 11.0301 k =-0.3488 0.3045 0.2808 ( 7564 PWs) bands (ev): -0.5520 -0.5520 -0.5512 -0.5512 1.7134 1.7134 1.7137 1.7137 1.8784 1.8784 1.8813 1.8813 2.6093 2.6093 2.6112 2.6112 3.1233 3.1233 3.1240 3.1240 5.1285 5.1285 5.1303 5.1303 5.3525 5.3525 5.3556 5.3556 5.7712 5.7712 5.7754 5.7754 6.8554 6.8554 6.8758 6.8758 7.1801 7.1801 7.1874 7.1874 7.7213 7.7213 7.7461 7.7461 7.9348 7.9348 7.9487 7.9487 8.1780 8.1780 8.1872 8.1872 9.8260 9.8260 9.8344 9.8344 10.1528 10.1528 10.1724 10.1724 11.0881 11.0901 k =-0.3605 0.3147 0.2808 ( 7562 PWs) bands (ev): -0.4666 -0.4666 -0.4658 -0.4658 1.6731 1.6731 1.6736 1.6736 1.8434 1.8434 1.8464 1.8464 2.4767 2.4767 2.4790 2.4790 3.1951 3.1951 3.1959 3.1959 5.1021 5.1021 5.1040 5.1040 5.2968 5.2968 5.3000 5.3000 5.6985 5.6985 5.7027 5.7027 6.8877 6.8877 6.9071 6.9071 7.2125 7.2125 7.2197 7.2197 7.7241 7.7241 7.7476 7.7476 7.9305 7.9305 7.9436 7.9436 8.1950 8.1950 8.2031 8.2031 9.9516 9.9516 9.9593 9.9593 10.2838 10.2838 10.3021 10.3021 11.1490 11.1507 k =-0.3721 0.3248 0.2808 ( 7562 PWs) bands (ev): -0.3787 -0.3787 -0.3778 -0.3778 1.6330 1.6330 1.6338 1.6338 1.8096 1.8096 1.8128 1.8128 2.3477 2.3477 2.3506 2.3506 3.2710 3.2710 3.2719 3.2719 5.0775 5.0775 5.0795 5.0795 5.2365 5.2365 5.2396 5.2396 5.6308 5.6308 5.6350 5.6350 6.9164 6.9164 6.9347 6.9347 7.2408 7.2408 7.2478 7.2478 7.7269 7.7269 7.7490 7.7490 7.9251 7.9251 7.9372 7.9372 8.2106 8.2106 8.2175 8.2175 10.0870 10.0870 10.0941 10.0941 10.4219 10.4219 10.4389 10.4389 11.2118 11.2128 k =-0.3837 0.3350 0.2808 ( 7566 PWs) bands (ev): -0.2883 -0.2883 -0.2873 -0.2873 1.5918 1.5918 1.5930 1.5930 1.7769 1.7769 1.7802 1.7802 2.2252 2.2252 2.2286 2.2286 3.3501 3.3501 3.3510 3.3510 5.0544 5.0544 5.0568 5.0568 5.1705 5.1705 5.1731 5.1731 5.5702 5.5702 5.5742 5.5742 6.9418 6.9418 6.9589 6.9589 7.2654 7.2654 7.2721 7.2721 7.7296 7.7296 7.7502 7.7502 7.9191 7.9191 7.9304 7.9304 8.2245 8.2245 8.2305 8.2305 10.2307 10.2307 10.2372 10.2372 10.5664 10.5664 10.5821 10.5821 11.2757 11.2771 k =-0.3953 0.3451 0.2808 ( 7566 PWs) bands (ev): -0.1954 -0.1954 -0.1944 -0.1944 1.5476 1.5476 1.5493 1.5493 1.7448 1.7448 1.7482 1.7482 2.1122 2.1122 2.1161 2.1161 3.4319 3.4319 3.4328 3.4328 5.0315 5.0315 5.0352 5.0352 5.0996 5.0996 5.1006 5.1006 5.5176 5.5176 5.5213 5.5213 6.9641 6.9641 6.9798 6.9798 7.2867 7.2867 7.2930 7.2930 7.7323 7.7323 7.7513 7.7513 7.9130 7.9130 7.9234 7.9234 8.2368 8.2368 8.2419 8.2419 10.3814 10.3814 10.3875 10.3875 10.7164 10.7164 10.7310 10.7310 11.3412 11.3436 k =-0.4070 0.3553 0.2808 ( 7570 PWs) bands (ev): -0.1001 -0.1001 -0.0990 -0.0990 1.4971 1.4971 1.4994 1.4994 1.7129 1.7129 1.7162 1.7162 2.0125 2.0125 2.0168 2.0168 3.5159 3.5159 3.5169 3.5169 4.9967 4.9967 5.0046 5.0046 5.0325 5.0325 5.0362 5.0362 5.4732 5.4732 5.4765 5.4765 6.9834 6.9834 6.9976 6.9976 7.3051 7.3051 7.3109 7.3109 7.7350 7.7350 7.7521 7.7521 7.9072 7.9072 7.9166 7.9166 8.2476 8.2476 8.2519 8.2519 10.5380 10.5380 10.5436 10.5436 10.8710 10.8710 10.8846 10.8846 11.4076 11.4101 k =-0.4186 0.3654 0.2808 ( 7584 PWs) bands (ev): -0.0024 -0.0024 -0.0013 -0.0013 1.4365 1.4365 1.4394 1.4394 1.6816 1.6816 1.6845 1.6845 1.9302 1.9302 1.9346 1.9346 3.6021 3.6021 3.6031 3.6031 4.9229 4.9229 4.9284 4.9284 5.0066 5.0066 5.0082 5.0082 5.4365 5.4365 5.4393 5.4393 7.0001 7.0001 7.0127 7.0127 7.3209 7.3209 7.3261 7.3261 7.7374 7.7374 7.7528 7.7528 7.9018 7.9018 7.9102 7.9102 8.2569 8.2569 8.2605 8.2605 10.6991 10.6991 10.7042 10.7042 11.0288 11.0288 11.0414 11.0414 11.4756 11.4760 k =-0.4302 0.3756 0.2808 ( 7588 PWs) bands (ev): 0.0975 0.0975 0.0987 0.0987 1.3629 1.3629 1.3661 1.3661 1.6521 1.6521 1.6544 1.6544 1.8674 1.8674 1.8715 1.8715 3.6902 3.6902 3.6913 3.6913 4.8352 4.8352 4.8393 4.8393 4.9913 4.9913 4.9920 4.9920 5.4066 5.4066 5.4089 5.4089 7.0143 7.0143 7.0252 7.0252 7.3342 7.3342 7.3388 7.3388 7.7398 7.7398 7.7532 7.7532 7.8970 7.8970 7.9043 7.9043 8.2648 8.2648 8.2678 8.2678 10.8636 10.8636 10.8682 10.8682 11.1874 11.1874 11.1991 11.1991 11.5460 11.5460 k =-0.4419 0.3857 0.2808 ( 7576 PWs) bands (ev): 0.1994 0.1994 0.2007 0.2007 1.2761 1.2761 1.2794 1.2794 1.6262 1.6262 1.6278 1.6278 1.8224 1.8224 1.8258 1.8258 3.7801 3.7801 3.7812 3.7812 4.7429 4.7429 4.7463 4.7463 4.9791 4.9791 4.9794 4.9794 5.3827 5.3827 5.3845 5.3845 7.0262 7.0262 7.0354 7.0354 7.3452 7.3452 7.3491 7.3491 7.7421 7.7421 7.7534 7.7534 7.8930 7.8930 7.8992 7.8992 8.2714 8.2714 8.2738 8.2738 11.0296 11.0296 11.0337 11.0337 11.3423 11.3423 11.3531 11.3531 11.6212 11.6212 k =-0.4535 0.3959 0.2808 ( 7572 PWs) bands (ev): 0.3032 0.3032 0.3047 0.3047 1.1791 1.1791 1.1821 1.1821 1.6051 1.6051 1.6062 1.6062 1.7914 1.7914 1.7940 1.7940 3.8714 3.8714 3.8726 3.8726 4.6483 4.6483 4.6512 4.6512 4.9692 4.9692 4.9693 4.9693 5.3639 5.3639 5.3653 5.3653 7.0360 7.0360 7.0434 7.0434 7.3541 7.3541 7.3573 7.3573 7.7442 7.7442 7.7534 7.7534 7.8897 7.8897 7.8948 7.8948 8.2768 8.2768 8.2786 8.2786 11.1949 11.1949 11.1985 11.1985 11.4834 11.4834 11.4928 11.4928 11.7088 11.7089 k =-0.4651 0.4060 0.2808 ( 7566 PWs) bands (ev): 0.4086 0.4086 0.4101 0.4101 1.0755 1.0755 1.0783 1.0783 1.5891 1.5891 1.5898 1.5898 1.7704 1.7704 1.7722 1.7722 3.9638 3.9638 3.9651 3.9651 4.5526 4.5526 4.5551 4.5551 4.9615 4.9615 4.9616 4.9616 5.3498 5.3498 5.3509 5.3509 7.0437 7.0437 7.0493 7.0493 7.3611 7.3611 7.3635 7.3635 7.7461 7.7461 7.7531 7.7531 7.8873 7.8873 7.8912 7.8912 8.2809 8.2809 8.2822 8.2822 11.3556 11.3556 11.3586 11.3586 11.5946 11.5946 11.6013 11.6013 11.8202 11.8213 k =-0.4767 0.4162 0.2808 ( 7562 PWs) bands (ev): 0.5146 0.5146 0.5163 0.5163 0.9690 0.9690 0.9715 0.9715 1.5780 1.5780 1.5784 1.5784 1.7568 1.7568 1.7580 1.7580 4.0566 4.0566 4.0580 4.0580 4.4572 4.4572 4.4593 4.4593 4.9560 4.9560 4.9561 4.9561 5.3400 5.3400 5.3407 5.3407 7.0493 7.0493 7.0531 7.0531 7.3661 7.3661 7.3677 7.3677 7.7479 7.7479 7.7526 7.7526 7.8858 7.8858 7.8884 7.8884 8.2839 8.2839 8.2848 8.2848 11.5034 11.5034 11.5057 11.5057 11.6687 11.6687 11.6726 11.6726 11.9499 11.9504 k =-0.4884 0.4263 0.2808 ( 7566 PWs) bands (ev): 0.6183 0.6183 0.6200 0.6200 0.8645 0.8645 0.8666 0.8666 1.5715 1.5715 1.5717 1.5717 1.7493 1.7493 1.7499 1.7499 4.1469 4.1469 4.1483 4.1483 4.3652 4.3652 4.3670 4.3670 4.9527 4.9527 4.9528 4.9528 5.3343 5.3343 5.3346 5.3346 7.0531 7.0531 7.0550 7.0550 7.3692 7.3692 7.3701 7.3701 7.7494 7.7494 7.7517 7.7517 7.8851 7.8851 7.8864 7.8864 8.2857 8.2857 8.2862 8.2862 11.6198 11.6198 11.6211 11.6211 11.7119 11.7119 11.7136 11.7136 12.0591 12.0593 k =-0.5000 0.4365 0.2808 ( 7560 PWs) bands (ev): 0.6883 0.6883 0.6884 0.6884 0.7960 0.7960 0.7960 0.7960 1.5694 1.5694 1.5694 1.5694 1.7470 1.7470 1.7471 1.7471 4.2068 4.2068 4.2068 4.2068 4.3063 4.3063 4.3064 4.3064 4.9516 4.9516 4.9517 4.9517 5.3325 5.3325 5.3325 5.3325 7.0550 7.0550 7.0550 7.0550 7.3706 7.3706 7.3706 7.3706 7.7507 7.7507 7.7507 7.7507 7.8853 7.8853 7.8853 7.8853 8.2865 8.2865 8.2865 8.2865 11.6681 11.6681 11.6681 11.6681 11.7269 11.7269 11.7269 11.7269 12.0945 12.0945 Writing output data file Al6Fe.save init_run : 0.44s CPU 0.67s WALL ( 1 calls) electrons : 460.30s CPU 465.28s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.14s WALL ( 1 calls) Called by electrons: c_bands : 460.30s CPU 465.27s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.18s CPU 0.21s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.27s CPU 0.31s WALL ( 326 calls) cegterg : 409.01s CPU 412.79s WALL ( 749 calls) Called by sum_band: Called by *egterg: h_psi : 246.74s CPU 249.24s WALL ( 12319 calls) s_psi : 42.60s CPU 42.63s WALL ( 12319 calls) g_psi : 0.64s CPU 0.73s WALL ( 11244 calls) cdiaghg : 105.48s CPU 106.56s WALL ( 11570 calls) cegterg:over : 18.48s CPU 18.69s WALL ( 11244 calls) cegterg:upda : 17.96s CPU 17.99s WALL ( 11244 calls) cegterg:last : 8.51s CPU 8.59s WALL ( 1782 calls) cdiaghg:chol : 6.04s CPU 6.21s WALL ( 11570 calls) cdiaghg:inve : 4.24s CPU 4.34s WALL ( 11570 calls) cdiaghg:para : 7.30s CPU 6.94s WALL ( 23140 calls) Called by h_psi: h_psi:vloc : 155.63s CPU 158.00s WALL ( 12319 calls) h_psi:vnl : 90.31s CPU 90.47s WALL ( 12319 calls) add_vuspsi : 50.37s CPU 50.21s WALL ( 12319 calls) General routines calbec : 39.85s CPU 40.22s WALL ( 12319 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 146.68s CPU 148.68s WALL ( 1389516 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.29s CPU 0.60s WALL ( 652 calls) Parallel routines fft_scatter : 52.15s CPU 52.78s WALL ( 1389539 calls) PWSCF : 8m 6.90s CPU 8m32.60s WALL This run was terminated on: 19:26:27 27Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=