Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 19:30:10 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: ./NbAlRu2.save/ file Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 4P 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 41 41 11 1040 1040 158 Max 42 42 12 1044 1044 162 Sum 1483 1483 421 37509 37509 5769 bravais-lattice index = 14 lattice parameter (alat) = 8.1978 a.u. unit-cell volume = 389.5653 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.197821 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Nb read from file: /users/gautes/Pseudo/Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: c1e153ab096482f446ae869583c6ae55 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1227 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 Ru read from file: /users/gautes/Pseudo/Ru.rel-pbe-oncvpsp.UPF MD5 check sum: 58833c0d2965a9b0fe5de673113ce18e Pseudo is Norm-conserving, Zval = 16.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1584 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 PseudoPot. # 3 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 Nb 13.00 92.90640 Nb( 1.00) Ru 16.00 101.07000 Ru( 1.00) Al 3.00 26.98150 Al( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 1 -1 0 ) ( 1 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) ( 0 1 0 ) ( 0 1 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) ( 1 0 0 ) ( 1 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 1 0 ) ( 0 1 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 346 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 2) = ( 0.0096154 -0.0055514 0.0078509), wk = 0.0028902 k( 3) = ( 0.0192308 -0.0111029 0.0157019), wk = 0.0028902 k( 4) = ( 0.0288462 -0.0166543 0.0235528), wk = 0.0028902 k( 5) = ( 0.0384615 -0.0222058 0.0314037), wk = 0.0028902 k( 6) = ( 0.0480769 -0.0277572 0.0392546), wk = 0.0028902 k( 7) = ( 0.0576923 -0.0333087 0.0471056), wk = 0.0028902 k( 8) = ( 0.0673077 -0.0388601 0.0549565), wk = 0.0028902 k( 9) = ( 0.0769231 -0.0444116 0.0628074), wk = 0.0028902 k( 10) = ( 0.0865385 -0.0499630 0.0706584), wk = 0.0028902 k( 11) = ( 0.0961538 -0.0555145 0.0785093), wk = 0.0028902 k( 12) = ( 0.1057692 -0.0610659 0.0863602), wk = 0.0028902 k( 13) = ( 0.1153846 -0.0666173 0.0942111), wk = 0.0028902 k( 14) = ( 0.1250000 -0.0721688 0.1020621), wk = 0.0028902 k( 15) = ( 0.1346154 -0.0777202 0.1099130), wk = 0.0028902 k( 16) = ( 0.1442308 -0.0832717 0.1177639), wk = 0.0028902 k( 17) = ( 0.1538461 -0.0888231 0.1256149), wk = 0.0028902 k( 18) = ( 0.1634615 -0.0943746 0.1334658), wk = 0.0028902 k( 19) = ( 0.1730769 -0.0999260 0.1413167), wk = 0.0028902 k( 20) = ( 0.1826923 -0.1054775 0.1491676), wk = 0.0028902 k( 21) = ( 0.1923077 -0.1110289 0.1570186), wk = 0.0028902 k( 22) = ( 0.2019231 -0.1165803 0.1648695), wk = 0.0028902 k( 23) = ( 0.2115385 -0.1221318 0.1727204), wk = 0.0028902 k( 24) = ( 0.2211539 -0.1276832 0.1805714), wk = 0.0028902 k( 25) = ( 0.2307692 -0.1332347 0.1884223), wk = 0.0028902 k( 26) = ( 0.2403846 -0.1387861 0.1962732), wk = 0.0028902 k( 27) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0028902 k( 28) = ( 0.2596154 -0.1498890 0.2119751), wk = 0.0028902 k( 29) = ( 0.2692308 -0.1554405 0.2198260), wk = 0.0028902 k( 30) = ( 0.2788462 -0.1609919 0.2276769), wk = 0.0028902 k( 31) = ( 0.2884615 -0.1665433 0.2355279), wk = 0.0028902 k( 32) = ( 0.2980769 -0.1720948 0.2433788), wk = 0.0028902 k( 33) = ( 0.3076923 -0.1776462 0.2512297), wk = 0.0028902 k( 34) = ( 0.3173077 -0.1831977 0.2590806), wk = 0.0028902 k( 35) = ( 0.3269231 -0.1887491 0.2669316), wk = 0.0028902 k( 36) = ( 0.3365385 -0.1943006 0.2747825), wk = 0.0028902 k( 37) = ( 0.3461538 -0.1998520 0.2826334), wk = 0.0028902 k( 38) = ( 0.3557692 -0.2054035 0.2904844), wk = 0.0028902 k( 39) = ( 0.3653846 -0.2109549 0.2983353), wk = 0.0028902 k( 40) = ( 0.3750000 -0.2165064 0.3061862), wk = 0.0028902 k( 41) = ( 0.3846154 -0.2220578 0.3140371), wk = 0.0028902 k( 42) = ( 0.3942308 -0.2276092 0.3218881), wk = 0.0028902 k( 43) = ( 0.4038462 -0.2331607 0.3297390), wk = 0.0028902 k( 44) = ( 0.4134615 -0.2387121 0.3375899), wk = 0.0028902 k( 45) = ( 0.4230769 -0.2442636 0.3454409), wk = 0.0028902 k( 46) = ( 0.4326923 -0.2498150 0.3532918), wk = 0.0028902 k( 47) = ( 0.4423077 -0.2553665 0.3611427), wk = 0.0028902 k( 48) = ( 0.4519231 -0.2609179 0.3689936), wk = 0.0028902 k( 49) = ( 0.4615385 -0.2664694 0.3768446), wk = 0.0028902 k( 50) = ( 0.4711538 -0.2720208 0.3846955), wk = 0.0028902 k( 51) = ( 0.4807692 -0.2775722 0.3925464), wk = 0.0028902 k( 52) = ( 0.4903846 -0.2831237 0.4003974), wk = 0.0028902 k( 53) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028902 k( 54) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028902 k( 55) = ( 0.5000000 -0.2775723 0.4160992), wk = 0.0028902 k( 56) = ( 0.5000000 -0.2664694 0.4239501), wk = 0.0028902 k( 57) = ( 0.5000000 -0.2553665 0.4318011), wk = 0.0028902 k( 58) = ( 0.5000000 -0.2442636 0.4396520), wk = 0.0028902 k( 59) = ( 0.5000000 -0.2331607 0.4475029), wk = 0.0028902 k( 60) = ( 0.5000000 -0.2220578 0.4553539), wk = 0.0028902 k( 61) = ( 0.5000000 -0.2109549 0.4632048), wk = 0.0028902 k( 62) = ( 0.5000000 -0.1998520 0.4710557), wk = 0.0028902 k( 63) = ( 0.5000000 -0.1887491 0.4789066), wk = 0.0028902 k( 64) = ( 0.5000000 -0.1776462 0.4867576), wk = 0.0028902 k( 65) = ( 0.5000000 -0.1665433 0.4946085), wk = 0.0028902 k( 66) = ( 0.5000000 -0.1554405 0.5024594), wk = 0.0028902 k( 67) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0028902 k( 68) = ( 0.5000000 -0.1332347 0.5181613), wk = 0.0028902 k( 69) = ( 0.5000000 -0.1221318 0.5260122), wk = 0.0028902 k( 70) = ( 0.5000000 -0.1110289 0.5338631), wk = 0.0028902 k( 71) = ( 0.5000000 -0.0999260 0.5417141), wk = 0.0028902 k( 72) = ( 0.5000000 -0.0888231 0.5495650), wk = 0.0028902 k( 73) = ( 0.5000000 -0.0777202 0.5574159), wk = 0.0028902 k( 74) = ( 0.5000000 -0.0666173 0.5652669), wk = 0.0028902 k( 75) = ( 0.5000000 -0.0555144 0.5731178), wk = 0.0028902 k( 76) = ( 0.5000000 -0.0444116 0.5809687), wk = 0.0028902 k( 77) = ( 0.5000000 -0.0333087 0.5888197), wk = 0.0028902 k( 78) = ( 0.5000000 -0.0222058 0.5966706), wk = 0.0028902 k( 79) = ( 0.5000000 -0.0111029 0.6045215), wk = 0.0028902 k( 80) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028902 k( 81) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028902 k( 82) = ( 0.4934211 0.0113951 0.6123724), wk = 0.0028902 k( 83) = ( 0.4868421 0.0227901 0.6123724), wk = 0.0028902 k( 84) = ( 0.4802632 0.0341852 0.6123724), wk = 0.0028902 k( 85) = ( 0.4736842 0.0455803 0.6123724), wk = 0.0028902 k( 86) = ( 0.4671053 0.0569754 0.6123724), wk = 0.0028902 k( 87) = ( 0.4605263 0.0683704 0.6123724), wk = 0.0028902 k( 88) = ( 0.4539474 0.0797655 0.6123724), wk = 0.0028902 k( 89) = ( 0.4473684 0.0911606 0.6123724), wk = 0.0028902 k( 90) = ( 0.4407895 0.1025556 0.6123724), wk = 0.0028902 k( 91) = ( 0.4342105 0.1139507 0.6123724), wk = 0.0028902 k( 92) = ( 0.4276316 0.1253458 0.6123724), wk = 0.0028902 k( 93) = ( 0.4210526 0.1367409 0.6123724), wk = 0.0028902 k( 94) = ( 0.4144737 0.1481359 0.6123724), wk = 0.0028902 k( 95) = ( 0.4078947 0.1595310 0.6123724), wk = 0.0028902 k( 96) = ( 0.4013158 0.1709261 0.6123724), wk = 0.0028902 k( 97) = ( 0.3947368 0.1823211 0.6123724), wk = 0.0028902 k( 98) = ( 0.3881579 0.1937162 0.6123724), wk = 0.0028902 k( 99) = ( 0.3815789 0.2051113 0.6123724), wk = 0.0028902 k( 100) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028902 k( 101) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028902 k( 102) = ( 0.3681818 0.2125699 0.6012384), wk = 0.0028902 k( 103) = ( 0.3613636 0.2086334 0.5901043), wk = 0.0028902 k( 104) = ( 0.3545454 0.2046969 0.5789703), wk = 0.0028902 k( 105) = ( 0.3477273 0.2007604 0.5678363), wk = 0.0028902 k( 106) = ( 0.3409091 0.1968240 0.5567022), wk = 0.0028902 k( 107) = ( 0.3340909 0.1928875 0.5455682), wk = 0.0028902 k( 108) = ( 0.3272727 0.1889510 0.5344341), wk = 0.0028902 k( 109) = ( 0.3204546 0.1850145 0.5233001), wk = 0.0028902 k( 110) = ( 0.3136364 0.1810780 0.5121660), wk = 0.0028902 k( 111) = ( 0.3068182 0.1771416 0.5010320), wk = 0.0028902 k( 112) = ( 0.3000000 0.1732051 0.4898979), wk = 0.0028902 k( 113) = ( 0.2931818 0.1692686 0.4787639), wk = 0.0028902 k( 114) = ( 0.2863636 0.1653321 0.4676299), wk = 0.0028902 k( 115) = ( 0.2795454 0.1613956 0.4564958), wk = 0.0028902 k( 116) = ( 0.2727273 0.1574592 0.4453618), wk = 0.0028902 k( 117) = ( 0.2659091 0.1535227 0.4342277), wk = 0.0028902 k( 118) = ( 0.2590909 0.1495862 0.4230937), wk = 0.0028902 k( 119) = ( 0.2522727 0.1456497 0.4119596), wk = 0.0028902 k( 120) = ( 0.2454545 0.1417133 0.4008256), wk = 0.0028902 k( 121) = ( 0.2386364 0.1377768 0.3896916), wk = 0.0028902 k( 122) = ( 0.2318182 0.1338403 0.3785575), wk = 0.0028902 k( 123) = ( 0.2250000 0.1299038 0.3674235), wk = 0.0028902 k( 124) = ( 0.2181818 0.1259673 0.3562894), wk = 0.0028902 k( 125) = ( 0.2113636 0.1220309 0.3451554), wk = 0.0028902 k( 126) = ( 0.2045454 0.1180944 0.3340213), wk = 0.0028902 k( 127) = ( 0.1977273 0.1141579 0.3228873), wk = 0.0028902 k( 128) = ( 0.1909091 0.1102214 0.3117532), wk = 0.0028902 k( 129) = ( 0.1840909 0.1062849 0.3006192), wk = 0.0028902 k( 130) = ( 0.1772727 0.1023485 0.2894851), wk = 0.0028902 k( 131) = ( 0.1704546 0.0984120 0.2783511), wk = 0.0028902 k( 132) = ( 0.1636364 0.0944755 0.2672171), wk = 0.0028902 k( 133) = ( 0.1568182 0.0905390 0.2560830), wk = 0.0028902 k( 134) = ( 0.1500000 0.0866025 0.2449490), wk = 0.0028902 k( 135) = ( 0.1431818 0.0826661 0.2338149), wk = 0.0028902 k( 136) = ( 0.1363636 0.0787296 0.2226809), wk = 0.0028902 k( 137) = ( 0.1295455 0.0747931 0.2115468), wk = 0.0028902 k( 138) = ( 0.1227273 0.0708566 0.2004128), wk = 0.0028902 k( 139) = ( 0.1159091 0.0669201 0.1892788), wk = 0.0028902 k( 140) = ( 0.1090909 0.0629837 0.1781447), wk = 0.0028902 k( 141) = ( 0.1022727 0.0590472 0.1670107), wk = 0.0028902 k( 142) = ( 0.0954545 0.0551107 0.1558766), wk = 0.0028902 k( 143) = ( 0.0886364 0.0511742 0.1447426), wk = 0.0028902 k( 144) = ( 0.0818182 0.0472377 0.1336085), wk = 0.0028902 k( 145) = ( 0.0750000 0.0433013 0.1224745), wk = 0.0028902 k( 146) = ( 0.0681818 0.0393648 0.1113404), wk = 0.0028902 k( 147) = ( 0.0613636 0.0354283 0.1002064), wk = 0.0028902 k( 148) = ( 0.0545455 0.0314918 0.0890724), wk = 0.0028902 k( 149) = ( 0.0477273 0.0275554 0.0779383), wk = 0.0028902 k( 150) = ( 0.0409091 0.0236189 0.0668043), wk = 0.0028902 k( 151) = ( 0.0340909 0.0196824 0.0556702), wk = 0.0028902 k( 152) = ( 0.0272727 0.0157459 0.0445362), wk = 0.0028902 k( 153) = ( 0.0204545 0.0118094 0.0334021), wk = 0.0028902 k( 154) = ( 0.0136364 0.0078730 0.0222681), wk = 0.0028902 k( 155) = ( 0.0068182 0.0039365 0.0111340), wk = 0.0028902 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 158) = ( 0.0111111 0.0064150 0.0045361), wk = 0.0028902 k( 159) = ( 0.0222222 0.0128300 0.0090722), wk = 0.0028902 k( 160) = ( 0.0333333 0.0192450 0.0136083), wk = 0.0028902 k( 161) = ( 0.0444444 0.0256600 0.0181444), wk = 0.0028902 k( 162) = ( 0.0555556 0.0320750 0.0226805), wk = 0.0028902 k( 163) = ( 0.0666667 0.0384900 0.0272166), wk = 0.0028902 k( 164) = ( 0.0777778 0.0449050 0.0317526), wk = 0.0028902 k( 165) = ( 0.0888889 0.0513200 0.0362887), wk = 0.0028902 k( 166) = ( 0.1000000 0.0577350 0.0408248), wk = 0.0028902 k( 167) = ( 0.1111111 0.0641500 0.0453609), wk = 0.0028902 k( 168) = ( 0.1222222 0.0705650 0.0498970), wk = 0.0028902 k( 169) = ( 0.1333333 0.0769800 0.0544331), wk = 0.0028902 k( 170) = ( 0.1444444 0.0833950 0.0589692), wk = 0.0028902 k( 171) = ( 0.1555556 0.0898100 0.0635053), wk = 0.0028902 k( 172) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0028902 k( 173) = ( 0.1777778 0.1026400 0.0725775), wk = 0.0028902 k( 174) = ( 0.1888889 0.1090551 0.0771136), wk = 0.0028902 k( 175) = ( 0.2000000 0.1154701 0.0816497), wk = 0.0028902 k( 176) = ( 0.2111111 0.1218851 0.0861857), wk = 0.0028902 k( 177) = ( 0.2222222 0.1283001 0.0907218), wk = 0.0028902 k( 178) = ( 0.2333333 0.1347151 0.0952579), wk = 0.0028902 k( 179) = ( 0.2444444 0.1411301 0.0997940), wk = 0.0028902 k( 180) = ( 0.2555556 0.1475451 0.1043301), wk = 0.0028902 k( 181) = ( 0.2666667 0.1539601 0.1088662), wk = 0.0028902 k( 182) = ( 0.2777778 0.1603751 0.1134023), wk = 0.0028902 k( 183) = ( 0.2888889 0.1667901 0.1179384), wk = 0.0028902 k( 184) = ( 0.3000000 0.1732051 0.1224745), wk = 0.0028902 k( 185) = ( 0.3111111 0.1796201 0.1270106), wk = 0.0028902 k( 186) = ( 0.3222222 0.1860351 0.1315467), wk = 0.0028902 k( 187) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0028902 k( 188) = ( 0.3444444 0.1988651 0.1406189), wk = 0.0028902 k( 189) = ( 0.3555556 0.2052801 0.1451549), wk = 0.0028902 k( 190) = ( 0.3666667 0.2116951 0.1496910), wk = 0.0028902 k( 191) = ( 0.3777778 0.2181101 0.1542271), wk = 0.0028902 k( 192) = ( 0.3888889 0.2245251 0.1587632), wk = 0.0028902 k( 193) = ( 0.4000000 0.2309401 0.1632993), wk = 0.0028902 k( 194) = ( 0.4111111 0.2373551 0.1678354), wk = 0.0028902 k( 195) = ( 0.4222222 0.2437701 0.1723715), wk = 0.0028902 k( 196) = ( 0.4333333 0.2501851 0.1769076), wk = 0.0028902 k( 197) = ( 0.4444444 0.2566001 0.1814437), wk = 0.0028902 k( 198) = ( 0.4555556 0.2630151 0.1859798), wk = 0.0028902 k( 199) = ( 0.4666667 0.2694301 0.1905159), wk = 0.0028902 k( 200) = ( 0.4777778 0.2758451 0.1950520), wk = 0.0028902 k( 201) = ( 0.4888889 0.2822601 0.1995881), wk = 0.0028902 k( 202) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028902 k( 203) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028902 k( 204) = ( 0.5039062 0.2773988 0.2105030), wk = 0.0028902 k( 205) = ( 0.5078125 0.2661224 0.2168819), wk = 0.0028902 k( 206) = ( 0.5117188 0.2548460 0.2232608), wk = 0.0028902 k( 207) = ( 0.5156250 0.2435696 0.2296397), wk = 0.0028902 k( 208) = ( 0.5195312 0.2322933 0.2360185), wk = 0.0028902 k( 209) = ( 0.5234375 0.2210169 0.2423974), wk = 0.0028902 k( 210) = ( 0.5273438 0.2097405 0.2487763), wk = 0.0028902 k( 211) = ( 0.5312500 0.1984642 0.2551552), wk = 0.0028902 k( 212) = ( 0.5351562 0.1871878 0.2615341), wk = 0.0028902 k( 213) = ( 0.5390625 0.1759114 0.2679129), wk = 0.0028902 k( 214) = ( 0.5429688 0.1646350 0.2742918), wk = 0.0028902 k( 215) = ( 0.5468750 0.1533587 0.2806707), wk = 0.0028902 k( 216) = ( 0.5507812 0.1420823 0.2870496), wk = 0.0028902 k( 217) = ( 0.5546875 0.1308059 0.2934285), wk = 0.0028902 k( 218) = ( 0.5585938 0.1195295 0.2998073), wk = 0.0028902 k( 219) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0028902 k( 220) = ( 0.5664062 0.0969768 0.3125651), wk = 0.0028902 k( 221) = ( 0.5703125 0.0857004 0.3189440), wk = 0.0028902 k( 222) = ( 0.5742188 0.0744241 0.3253229), wk = 0.0028902 k( 223) = ( 0.5781250 0.0631477 0.3317017), wk = 0.0028902 k( 224) = ( 0.5820312 0.0518713 0.3380806), wk = 0.0028902 k( 225) = ( 0.5859375 0.0405949 0.3444595), wk = 0.0028902 k( 226) = ( 0.5898438 0.0293186 0.3508384), wk = 0.0028902 k( 227) = ( 0.5937500 0.0180422 0.3572173), wk = 0.0028902 k( 228) = ( 0.5976562 0.0067658 0.3635961), wk = 0.0028902 k( 229) = ( 0.6015625 -0.0045105 0.3699750), wk = 0.0028902 k( 230) = ( 0.6054688 -0.0157869 0.3763539), wk = 0.0028902 k( 231) = ( 0.6093750 -0.0270633 0.3827328), wk = 0.0028902 k( 232) = ( 0.6132812 -0.0383397 0.3891117), wk = 0.0028902 k( 233) = ( 0.6171875 -0.0496160 0.3954905), wk = 0.0028902 k( 234) = ( 0.6210938 -0.0608924 0.4018694), wk = 0.0028902 k( 235) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028902 k( 236) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028902 k( 237) = ( 0.6184211 -0.0683704 0.4189917), wk = 0.0028902 k( 238) = ( 0.6118421 -0.0645721 0.4297350), wk = 0.0028902 k( 239) = ( 0.6052632 -0.0607737 0.4404784), wk = 0.0028902 k( 240) = ( 0.5986842 -0.0569754 0.4512218), wk = 0.0028902 k( 241) = ( 0.5921053 -0.0531770 0.4619652), wk = 0.0028902 k( 242) = ( 0.5855263 -0.0493786 0.4727085), wk = 0.0028902 k( 243) = ( 0.5789474 -0.0455803 0.4834519), wk = 0.0028902 k( 244) = ( 0.5723684 -0.0417819 0.4941953), wk = 0.0028902 k( 245) = ( 0.5657895 -0.0379836 0.5049387), wk = 0.0028902 k( 246) = ( 0.5592105 -0.0341852 0.5156820), wk = 0.0028902 k( 247) = ( 0.5526316 -0.0303869 0.5264254), wk = 0.0028902 k( 248) = ( 0.5460526 -0.0265885 0.5371688), wk = 0.0028902 k( 249) = ( 0.5394737 -0.0227901 0.5479122), wk = 0.0028902 k( 250) = ( 0.5328947 -0.0189918 0.5586556), wk = 0.0028902 k( 251) = ( 0.5263158 -0.0151934 0.5693989), wk = 0.0028902 k( 252) = ( 0.5197368 -0.0113951 0.5801423), wk = 0.0028902 k( 253) = ( 0.5131579 -0.0075967 0.5908857), wk = 0.0028902 k( 254) = ( 0.5065789 -0.0037984 0.6016291), wk = 0.0028902 k( 255) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028902 k( 256) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028902 k( 257) = ( 0.5000000 0.0078020 0.6013387), wk = 0.0028902 k( 258) = ( 0.5000000 0.0156041 0.5903050), wk = 0.0028902 k( 259) = ( 0.5000000 0.0234061 0.5792712), wk = 0.0028902 k( 260) = ( 0.5000000 0.0312081 0.5682375), wk = 0.0028902 k( 261) = ( 0.5000000 0.0390101 0.5572038), wk = 0.0028902 k( 262) = ( 0.5000000 0.0468122 0.5461700), wk = 0.0028902 k( 263) = ( 0.5000000 0.0546142 0.5351363), wk = 0.0028902 k( 264) = ( 0.5000000 0.0624162 0.5241025), wk = 0.0028902 k( 265) = ( 0.5000000 0.0702183 0.5130688), wk = 0.0028902 k( 266) = ( 0.5000000 0.0780203 0.5020351), wk = 0.0028902 k( 267) = ( 0.5000000 0.0858223 0.4910013), wk = 0.0028902 k( 268) = ( 0.5000000 0.0936244 0.4799676), wk = 0.0028902 k( 269) = ( 0.5000000 0.1014264 0.4689338), wk = 0.0028902 k( 270) = ( 0.5000000 0.1092284 0.4579001), wk = 0.0028902 k( 271) = ( 0.5000000 0.1170305 0.4468664), wk = 0.0028902 k( 272) = ( 0.5000000 0.1248325 0.4358326), wk = 0.0028902 k( 273) = ( 0.5000000 0.1326345 0.4247989), wk = 0.0028902 k( 274) = ( 0.5000000 0.1404366 0.4137652), wk = 0.0028902 k( 275) = ( 0.5000000 0.1482386 0.4027314), wk = 0.0028902 k( 276) = ( 0.5000000 0.1560406 0.3916977), wk = 0.0028902 k( 277) = ( 0.5000000 0.1638426 0.3806639), wk = 0.0028902 k( 278) = ( 0.5000000 0.1716447 0.3696302), wk = 0.0028902 k( 279) = ( 0.5000000 0.1794467 0.3585965), wk = 0.0028902 k( 280) = ( 0.5000000 0.1872487 0.3475627), wk = 0.0028902 k( 281) = ( 0.5000000 0.1950508 0.3365290), wk = 0.0028902 k( 282) = ( 0.5000000 0.2028528 0.3254953), wk = 0.0028902 k( 283) = ( 0.5000000 0.2106548 0.3144615), wk = 0.0028902 k( 284) = ( 0.5000000 0.2184569 0.3034278), wk = 0.0028902 k( 285) = ( 0.5000000 0.2262589 0.2923940), wk = 0.0028902 k( 286) = ( 0.5000000 0.2340609 0.2813603), wk = 0.0028902 k( 287) = ( 0.5000000 0.2418630 0.2703266), wk = 0.0028902 k( 288) = ( 0.5000000 0.2496650 0.2592928), wk = 0.0028902 k( 289) = ( 0.5000000 0.2574670 0.2482591), wk = 0.0028902 k( 290) = ( 0.5000000 0.2652690 0.2372254), wk = 0.0028902 k( 291) = ( 0.5000000 0.2730711 0.2261916), wk = 0.0028902 k( 292) = ( 0.5000000 0.2808731 0.2151579), wk = 0.0028902 k( 293) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028902 k( 294) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028902 k( 295) = ( 0.4960938 0.2864199 0.2168819), wk = 0.0028902 k( 296) = ( 0.4921875 0.2841646 0.2296397), wk = 0.0028902 k( 297) = ( 0.4882812 0.2819093 0.2423974), wk = 0.0028902 k( 298) = ( 0.4843750 0.2796540 0.2551552), wk = 0.0028902 k( 299) = ( 0.4804688 0.2773988 0.2679129), wk = 0.0028902 k( 300) = ( 0.4765625 0.2751435 0.2806707), wk = 0.0028902 k( 301) = ( 0.4726562 0.2728882 0.2934285), wk = 0.0028902 k( 302) = ( 0.4687500 0.2706329 0.3061862), wk = 0.0028902 k( 303) = ( 0.4648438 0.2683777 0.3189440), wk = 0.0028902 k( 304) = ( 0.4609375 0.2661224 0.3317017), wk = 0.0028902 k( 305) = ( 0.4570312 0.2638671 0.3444595), wk = 0.0028902 k( 306) = ( 0.4531250 0.2616118 0.3572173), wk = 0.0028902 k( 307) = ( 0.4492188 0.2593566 0.3699750), wk = 0.0028902 k( 308) = ( 0.4453125 0.2571013 0.3827328), wk = 0.0028902 k( 309) = ( 0.4414062 0.2548460 0.3954905), wk = 0.0028902 k( 310) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0028902 k( 311) = ( 0.4335938 0.2503355 0.4210060), wk = 0.0028902 k( 312) = ( 0.4296875 0.2480802 0.4337638), wk = 0.0028902 k( 313) = ( 0.4257812 0.2458249 0.4465216), wk = 0.0028902 k( 314) = ( 0.4218750 0.2435696 0.4592793), wk = 0.0028902 k( 315) = ( 0.4179688 0.2413144 0.4720371), wk = 0.0028902 k( 316) = ( 0.4140625 0.2390591 0.4847948), wk = 0.0028902 k( 317) = ( 0.4101562 0.2368038 0.4975526), wk = 0.0028902 k( 318) = ( 0.4062500 0.2345485 0.5103104), wk = 0.0028902 k( 319) = ( 0.4023438 0.2322933 0.5230681), wk = 0.0028902 k( 320) = ( 0.3984375 0.2300380 0.5358259), wk = 0.0028902 k( 321) = ( 0.3945312 0.2277827 0.5485836), wk = 0.0028902 k( 322) = ( 0.3906250 0.2255274 0.5613414), wk = 0.0028902 k( 323) = ( 0.3867188 0.2232722 0.5740992), wk = 0.0028902 k( 324) = ( 0.3828125 0.2210169 0.5868569), wk = 0.0028902 k( 325) = ( 0.3789062 0.2187616 0.5996147), wk = 0.0028902 k( 326) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028902 k( 327) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028902 k( 328) = ( 0.6184211 -0.0835638 0.4082483), wk = 0.0028902 k( 329) = ( 0.6118421 -0.0949589 0.4082483), wk = 0.0028902 k( 330) = ( 0.6052632 -0.1063540 0.4082483), wk = 0.0028902 k( 331) = ( 0.5986842 -0.1177491 0.4082483), wk = 0.0028902 k( 332) = ( 0.5921053 -0.1291441 0.4082483), wk = 0.0028902 k( 333) = ( 0.5855263 -0.1405392 0.4082483), wk = 0.0028902 k( 334) = ( 0.5789474 -0.1519343 0.4082483), wk = 0.0028902 k( 335) = ( 0.5723684 -0.1633294 0.4082483), wk = 0.0028902 k( 336) = ( 0.5657895 -0.1747244 0.4082483), wk = 0.0028902 k( 337) = ( 0.5592105 -0.1861195 0.4082483), wk = 0.0028902 k( 338) = ( 0.5526316 -0.1975146 0.4082483), wk = 0.0028902 k( 339) = ( 0.5460526 -0.2089096 0.4082483), wk = 0.0028902 k( 340) = ( 0.5394737 -0.2203047 0.4082483), wk = 0.0028902 k( 341) = ( 0.5328947 -0.2316998 0.4082483), wk = 0.0028902 k( 342) = ( 0.5263158 -0.2430948 0.4082483), wk = 0.0028902 k( 343) = ( 0.5197368 -0.2544899 0.4082483), wk = 0.0028902 k( 344) = ( 0.5131579 -0.2658850 0.4082483), wk = 0.0028902 k( 345) = ( 0.5065789 -0.2772801 0.4082483), wk = 0.0028902 k( 346) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028902 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 2) = ( 0.0096154 -0.0000000 0.0096154), wk = 0.0028902 k( 3) = ( 0.0192308 -0.0000000 0.0192308), wk = 0.0028902 k( 4) = ( 0.0288462 -0.0000000 0.0288462), wk = 0.0028902 k( 5) = ( 0.0384615 -0.0000000 0.0384615), wk = 0.0028902 k( 6) = ( 0.0480769 -0.0000000 0.0480769), wk = 0.0028902 k( 7) = ( 0.0576923 -0.0000000 0.0576923), wk = 0.0028902 k( 8) = ( 0.0673077 0.0000000 0.0673077), wk = 0.0028902 k( 9) = ( 0.0769231 -0.0000000 0.0769231), wk = 0.0028902 k( 10) = ( 0.0865385 -0.0000000 0.0865385), wk = 0.0028902 k( 11) = ( 0.0961538 -0.0000000 0.0961539), wk = 0.0028902 k( 12) = ( 0.1057692 -0.0000000 0.1057692), wk = 0.0028902 k( 13) = ( 0.1153846 -0.0000000 0.1153846), wk = 0.0028902 k( 14) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0028902 k( 15) = ( 0.1346154 0.0000000 0.1346154), wk = 0.0028902 k( 16) = ( 0.1442308 -0.0000000 0.1442308), wk = 0.0028902 k( 17) = ( 0.1538461 -0.0000000 0.1538462), wk = 0.0028902 k( 18) = ( 0.1634615 -0.0000000 0.1634615), wk = 0.0028902 k( 19) = ( 0.1730769 -0.0000000 0.1730769), wk = 0.0028902 k( 20) = ( 0.1826923 0.0000000 0.1826923), wk = 0.0028902 k( 21) = ( 0.1923077 -0.0000000 0.1923077), wk = 0.0028902 k( 22) = ( 0.2019231 -0.0000000 0.2019231), wk = 0.0028902 k( 23) = ( 0.2115385 -0.0000000 0.2115385), wk = 0.0028902 k( 24) = ( 0.2211539 -0.0000000 0.2211539), wk = 0.0028902 k( 25) = ( 0.2307692 -0.0000000 0.2307692), wk = 0.0028902 k( 26) = ( 0.2403846 -0.0000000 0.2403846), wk = 0.0028902 k( 27) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0028902 k( 28) = ( 0.2596154 -0.0000000 0.2596154), wk = 0.0028902 k( 29) = ( 0.2692308 -0.0000000 0.2692308), wk = 0.0028902 k( 30) = ( 0.2788462 0.0000000 0.2788462), wk = 0.0028902 k( 31) = ( 0.2884615 -0.0000000 0.2884615), wk = 0.0028902 k( 32) = ( 0.2980769 0.0000000 0.2980769), wk = 0.0028902 k( 33) = ( 0.3076923 0.0000000 0.3076923), wk = 0.0028902 k( 34) = ( 0.3173077 -0.0000000 0.3173077), wk = 0.0028902 k( 35) = ( 0.3269231 -0.0000000 0.3269231), wk = 0.0028902 k( 36) = ( 0.3365385 0.0000000 0.3365385), wk = 0.0028902 k( 37) = ( 0.3461538 -0.0000000 0.3461538), wk = 0.0028902 k( 38) = ( 0.3557692 -0.0000000 0.3557692), wk = 0.0028902 k( 39) = ( 0.3653846 0.0000000 0.3653846), wk = 0.0028902 k( 40) = ( 0.3750000 -0.0000000 0.3750000), wk = 0.0028902 k( 41) = ( 0.3846154 -0.0000000 0.3846154), wk = 0.0028902 k( 42) = ( 0.3942308 -0.0000000 0.3942308), wk = 0.0028902 k( 43) = ( 0.4038462 -0.0000000 0.4038462), wk = 0.0028902 k( 44) = ( 0.4134615 -0.0000000 0.4134615), wk = 0.0028902 k( 45) = ( 0.4230769 -0.0000000 0.4230769), wk = 0.0028902 k( 46) = ( 0.4326923 -0.0000000 0.4326923), wk = 0.0028902 k( 47) = ( 0.4423077 0.0000000 0.4423077), wk = 0.0028902 k( 48) = ( 0.4519231 0.0000000 0.4519231), wk = 0.0028902 k( 49) = ( 0.4615385 -0.0000000 0.4615385), wk = 0.0028902 k( 50) = ( 0.4711538 -0.0000000 0.4711538), wk = 0.0028902 k( 51) = ( 0.4807692 -0.0000000 0.4807692), wk = 0.0028902 k( 52) = ( 0.4903846 -0.0000000 0.4903846), wk = 0.0028902 k( 53) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028902 k( 54) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028902 k( 55) = ( 0.5000000 0.0096154 0.5096154), wk = 0.0028902 k( 56) = ( 0.5000000 0.0192308 0.5192308), wk = 0.0028902 k( 57) = ( 0.5000000 0.0288461 0.5288462), wk = 0.0028902 k( 58) = ( 0.5000000 0.0384615 0.5384615), wk = 0.0028902 k( 59) = ( 0.5000000 0.0480769 0.5480769), wk = 0.0028902 k( 60) = ( 0.5000000 0.0576923 0.5576923), wk = 0.0028902 k( 61) = ( 0.5000000 0.0673077 0.5673077), wk = 0.0028902 k( 62) = ( 0.5000000 0.0769231 0.5769231), wk = 0.0028902 k( 63) = ( 0.5000000 0.0865385 0.5865385), wk = 0.0028902 k( 64) = ( 0.5000000 0.0961538 0.5961538), wk = 0.0028902 k( 65) = ( 0.5000000 0.1057692 0.6057692), wk = 0.0028902 k( 66) = ( 0.5000000 0.1153846 0.6153846), wk = 0.0028902 k( 67) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0028902 k( 68) = ( 0.5000000 0.1346154 0.6346154), wk = 0.0028902 k( 69) = ( 0.5000000 0.1442308 0.6442308), wk = 0.0028902 k( 70) = ( 0.5000000 0.1538461 0.6538462), wk = 0.0028902 k( 71) = ( 0.5000000 0.1634615 0.6634615), wk = 0.0028902 k( 72) = ( 0.5000000 0.1730769 0.6730769), wk = 0.0028902 k( 73) = ( 0.5000000 0.1826923 0.6826923), wk = 0.0028902 k( 74) = ( 0.5000000 0.1923077 0.6923077), wk = 0.0028902 k( 75) = ( 0.5000000 0.2019231 0.7019231), wk = 0.0028902 k( 76) = ( 0.5000000 0.2115385 0.7115385), wk = 0.0028902 k( 77) = ( 0.5000000 0.2211539 0.7211538), wk = 0.0028902 k( 78) = ( 0.5000000 0.2307692 0.7307692), wk = 0.0028902 k( 79) = ( 0.5000000 0.2403846 0.7403846), wk = 0.0028902 k( 80) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028902 k( 81) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028902 k( 82) = ( 0.4934211 0.2565789 0.7500000), wk = 0.0028902 k( 83) = ( 0.4868421 0.2631579 0.7500000), wk = 0.0028902 k( 84) = ( 0.4802632 0.2697368 0.7500000), wk = 0.0028902 k( 85) = ( 0.4736842 0.2763158 0.7500000), wk = 0.0028902 k( 86) = ( 0.4671053 0.2828947 0.7500000), wk = 0.0028902 k( 87) = ( 0.4605263 0.2894737 0.7500000), wk = 0.0028902 k( 88) = ( 0.4539474 0.2960526 0.7500000), wk = 0.0028902 k( 89) = ( 0.4473684 0.3026316 0.7500000), wk = 0.0028902 k( 90) = ( 0.4407895 0.3092105 0.7500000), wk = 0.0028902 k( 91) = ( 0.4342105 0.3157895 0.7500000), wk = 0.0028902 k( 92) = ( 0.4276316 0.3223684 0.7500000), wk = 0.0028902 k( 93) = ( 0.4210526 0.3289474 0.7500000), wk = 0.0028902 k( 94) = ( 0.4144737 0.3355263 0.7500000), wk = 0.0028902 k( 95) = ( 0.4078947 0.3421053 0.7500000), wk = 0.0028902 k( 96) = ( 0.4013158 0.3486842 0.7500000), wk = 0.0028902 k( 97) = ( 0.3947368 0.3552632 0.7500000), wk = 0.0028902 k( 98) = ( 0.3881579 0.3618421 0.7500000), wk = 0.0028902 k( 99) = ( 0.3815789 0.3684211 0.7500000), wk = 0.0028902 k( 100) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028902 k( 101) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028902 k( 102) = ( 0.3681818 0.3681818 0.7363636), wk = 0.0028902 k( 103) = ( 0.3613636 0.3613636 0.7227273), wk = 0.0028902 k( 104) = ( 0.3545454 0.3545454 0.7090909), wk = 0.0028902 k( 105) = ( 0.3477273 0.3477273 0.6954546), wk = 0.0028902 k( 106) = ( 0.3409091 0.3409091 0.6818182), wk = 0.0028902 k( 107) = ( 0.3340909 0.3340909 0.6681818), wk = 0.0028902 k( 108) = ( 0.3272727 0.3272727 0.6545454), wk = 0.0028902 k( 109) = ( 0.3204546 0.3204546 0.6409091), wk = 0.0028902 k( 110) = ( 0.3136364 0.3136364 0.6272727), wk = 0.0028902 k( 111) = ( 0.3068182 0.3068182 0.6136364), wk = 0.0028902 k( 112) = ( 0.3000000 0.3000000 0.6000000), wk = 0.0028902 k( 113) = ( 0.2931818 0.2931818 0.5863636), wk = 0.0028902 k( 114) = ( 0.2863636 0.2863636 0.5727273), wk = 0.0028902 k( 115) = ( 0.2795454 0.2795454 0.5590909), wk = 0.0028902 k( 116) = ( 0.2727273 0.2727273 0.5454546), wk = 0.0028902 k( 117) = ( 0.2659091 0.2659091 0.5318182), wk = 0.0028902 k( 118) = ( 0.2590909 0.2590909 0.5181818), wk = 0.0028902 k( 119) = ( 0.2522727 0.2522727 0.5045454), wk = 0.0028902 k( 120) = ( 0.2454545 0.2454545 0.4909091), wk = 0.0028902 k( 121) = ( 0.2386364 0.2386364 0.4772727), wk = 0.0028902 k( 122) = ( 0.2318182 0.2318182 0.4636364), wk = 0.0028902 k( 123) = ( 0.2250000 0.2250000 0.4500000), wk = 0.0028902 k( 124) = ( 0.2181818 0.2181818 0.4363636), wk = 0.0028902 k( 125) = ( 0.2113636 0.2113636 0.4227273), wk = 0.0028902 k( 126) = ( 0.2045454 0.2045455 0.4090909), wk = 0.0028902 k( 127) = ( 0.1977273 0.1977273 0.3954546), wk = 0.0028902 k( 128) = ( 0.1909091 0.1909091 0.3818182), wk = 0.0028902 k( 129) = ( 0.1840909 0.1840909 0.3681818), wk = 0.0028902 k( 130) = ( 0.1772727 0.1772727 0.3545454), wk = 0.0028902 k( 131) = ( 0.1704546 0.1704546 0.3409091), wk = 0.0028902 k( 132) = ( 0.1636364 0.1636364 0.3272727), wk = 0.0028902 k( 133) = ( 0.1568182 0.1568182 0.3136364), wk = 0.0028902 k( 134) = ( 0.1500000 0.1500000 0.3000000), wk = 0.0028902 k( 135) = ( 0.1431818 0.1431818 0.2863636), wk = 0.0028902 k( 136) = ( 0.1363636 0.1363636 0.2727273), wk = 0.0028902 k( 137) = ( 0.1295455 0.1295455 0.2590909), wk = 0.0028902 k( 138) = ( 0.1227273 0.1227273 0.2454545), wk = 0.0028902 k( 139) = ( 0.1159091 0.1159091 0.2318182), wk = 0.0028902 k( 140) = ( 0.1090909 0.1090909 0.2181818), wk = 0.0028902 k( 141) = ( 0.1022727 0.1022727 0.2045454), wk = 0.0028902 k( 142) = ( 0.0954545 0.0954546 0.1909091), wk = 0.0028902 k( 143) = ( 0.0886364 0.0886364 0.1772727), wk = 0.0028902 k( 144) = ( 0.0818182 0.0818182 0.1636364), wk = 0.0028902 k( 145) = ( 0.0750000 0.0750000 0.1500000), wk = 0.0028902 k( 146) = ( 0.0681818 0.0681818 0.1363636), wk = 0.0028902 k( 147) = ( 0.0613636 0.0613636 0.1227273), wk = 0.0028902 k( 148) = ( 0.0545455 0.0545455 0.1090909), wk = 0.0028902 k( 149) = ( 0.0477273 0.0477273 0.0954545), wk = 0.0028902 k( 150) = ( 0.0409091 0.0409091 0.0818182), wk = 0.0028902 k( 151) = ( 0.0340909 0.0340909 0.0681818), wk = 0.0028902 k( 152) = ( 0.0272727 0.0272727 0.0545455), wk = 0.0028902 k( 153) = ( 0.0204545 0.0204545 0.0409091), wk = 0.0028902 k( 154) = ( 0.0136364 0.0136364 0.0272727), wk = 0.0028902 k( 155) = ( 0.0068182 0.0068182 0.0136364), wk = 0.0028902 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 158) = ( 0.0111111 0.0111111 0.0111111), wk = 0.0028902 k( 159) = ( 0.0222222 0.0222222 0.0222222), wk = 0.0028902 k( 160) = ( 0.0333333 0.0333333 0.0333333), wk = 0.0028902 k( 161) = ( 0.0444444 0.0444444 0.0444444), wk = 0.0028902 k( 162) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0028902 k( 163) = ( 0.0666667 0.0666667 0.0666667), wk = 0.0028902 k( 164) = ( 0.0777778 0.0777778 0.0777778), wk = 0.0028902 k( 165) = ( 0.0888889 0.0888889 0.0888889), wk = 0.0028902 k( 166) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0028902 k( 167) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0028902 k( 168) = ( 0.1222222 0.1222222 0.1222222), wk = 0.0028902 k( 169) = ( 0.1333333 0.1333333 0.1333333), wk = 0.0028902 k( 170) = ( 0.1444444 0.1444444 0.1444444), wk = 0.0028902 k( 171) = ( 0.1555556 0.1555556 0.1555556), wk = 0.0028902 k( 172) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0028902 k( 173) = ( 0.1777778 0.1777778 0.1777778), wk = 0.0028902 k( 174) = ( 0.1888889 0.1888889 0.1888889), wk = 0.0028902 k( 175) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0028902 k( 176) = ( 0.2111111 0.2111111 0.2111111), wk = 0.0028902 k( 177) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0028902 k( 178) = ( 0.2333333 0.2333333 0.2333333), wk = 0.0028902 k( 179) = ( 0.2444444 0.2444444 0.2444444), wk = 0.0028902 k( 180) = ( 0.2555556 0.2555556 0.2555556), wk = 0.0028902 k( 181) = ( 0.2666667 0.2666667 0.2666667), wk = 0.0028902 k( 182) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0028902 k( 183) = ( 0.2888889 0.2888889 0.2888889), wk = 0.0028902 k( 184) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0028902 k( 185) = ( 0.3111111 0.3111111 0.3111111), wk = 0.0028902 k( 186) = ( 0.3222222 0.3222222 0.3222222), wk = 0.0028902 k( 187) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0028902 k( 188) = ( 0.3444444 0.3444444 0.3444444), wk = 0.0028902 k( 189) = ( 0.3555556 0.3555556 0.3555556), wk = 0.0028902 k( 190) = ( 0.3666667 0.3666667 0.3666667), wk = 0.0028902 k( 191) = ( 0.3777778 0.3777778 0.3777778), wk = 0.0028902 k( 192) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0028902 k( 193) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0028902 k( 194) = ( 0.4111111 0.4111111 0.4111111), wk = 0.0028902 k( 195) = ( 0.4222222 0.4222222 0.4222222), wk = 0.0028902 k( 196) = ( 0.4333333 0.4333333 0.4333333), wk = 0.0028902 k( 197) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0028902 k( 198) = ( 0.4555556 0.4555556 0.4555556), wk = 0.0028902 k( 199) = ( 0.4666667 0.4666667 0.4666667), wk = 0.0028902 k( 200) = ( 0.4777778 0.4777778 0.4777778), wk = 0.0028902 k( 201) = ( 0.4888889 0.4888889 0.4888889), wk = 0.0028902 k( 202) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028902 k( 203) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028902 k( 204) = ( 0.5039062 0.4921875 0.5039063), wk = 0.0028902 k( 205) = ( 0.5078125 0.4843750 0.5078125), wk = 0.0028902 k( 206) = ( 0.5117188 0.4765625 0.5117188), wk = 0.0028902 k( 207) = ( 0.5156250 0.4687500 0.5156250), wk = 0.0028902 k( 208) = ( 0.5195312 0.4609375 0.5195313), wk = 0.0028902 k( 209) = ( 0.5234375 0.4531250 0.5234375), wk = 0.0028902 k( 210) = ( 0.5273438 0.4453125 0.5273438), wk = 0.0028902 k( 211) = ( 0.5312500 0.4375000 0.5312500), wk = 0.0028902 k( 212) = ( 0.5351562 0.4296875 0.5351563), wk = 0.0028902 k( 213) = ( 0.5390625 0.4218750 0.5390625), wk = 0.0028902 k( 214) = ( 0.5429688 0.4140625 0.5429688), wk = 0.0028902 k( 215) = ( 0.5468750 0.4062500 0.5468750), wk = 0.0028902 k( 216) = ( 0.5507812 0.3984375 0.5507812), wk = 0.0028902 k( 217) = ( 0.5546875 0.3906250 0.5546875), wk = 0.0028902 k( 218) = ( 0.5585938 0.3828125 0.5585938), wk = 0.0028902 k( 219) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0028902 k( 220) = ( 0.5664062 0.3671875 0.5664063), wk = 0.0028902 k( 221) = ( 0.5703125 0.3593750 0.5703125), wk = 0.0028902 k( 222) = ( 0.5742188 0.3515625 0.5742188), wk = 0.0028902 k( 223) = ( 0.5781250 0.3437500 0.5781250), wk = 0.0028902 k( 224) = ( 0.5820312 0.3359375 0.5820313), wk = 0.0028902 k( 225) = ( 0.5859375 0.3281250 0.5859375), wk = 0.0028902 k( 226) = ( 0.5898438 0.3203125 0.5898438), wk = 0.0028902 k( 227) = ( 0.5937500 0.3125000 0.5937500), wk = 0.0028902 k( 228) = ( 0.5976562 0.3046875 0.5976563), wk = 0.0028902 k( 229) = ( 0.6015625 0.2968750 0.6015625), wk = 0.0028902 k( 230) = ( 0.6054688 0.2890625 0.6054688), wk = 0.0028902 k( 231) = ( 0.6093750 0.2812500 0.6093750), wk = 0.0028902 k( 232) = ( 0.6132812 0.2734375 0.6132813), wk = 0.0028902 k( 233) = ( 0.6171875 0.2656250 0.6171875), wk = 0.0028902 k( 234) = ( 0.6210938 0.2578125 0.6210938), wk = 0.0028902 k( 235) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028902 k( 236) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028902 k( 237) = ( 0.6184211 0.2500000 0.6315790), wk = 0.0028902 k( 238) = ( 0.6118421 0.2500000 0.6381579), wk = 0.0028902 k( 239) = ( 0.6052632 0.2500000 0.6447368), wk = 0.0028902 k( 240) = ( 0.5986842 0.2500000 0.6513158), wk = 0.0028902 k( 241) = ( 0.5921053 0.2500000 0.6578947), wk = 0.0028902 k( 242) = ( 0.5855263 0.2500000 0.6644737), wk = 0.0028902 k( 243) = ( 0.5789474 0.2500000 0.6710526), wk = 0.0028902 k( 244) = ( 0.5723684 0.2500000 0.6776316), wk = 0.0028902 k( 245) = ( 0.5657895 0.2500000 0.6842105), wk = 0.0028902 k( 246) = ( 0.5592105 0.2500000 0.6907895), wk = 0.0028902 k( 247) = ( 0.5526316 0.2500000 0.6973684), wk = 0.0028902 k( 248) = ( 0.5460526 0.2500000 0.7039474), wk = 0.0028902 k( 249) = ( 0.5394737 0.2500000 0.7105263), wk = 0.0028902 k( 250) = ( 0.5328947 0.2500000 0.7171053), wk = 0.0028902 k( 251) = ( 0.5263158 0.2500000 0.7236842), wk = 0.0028902 k( 252) = ( 0.5197368 0.2500000 0.7302632), wk = 0.0028902 k( 253) = ( 0.5131579 0.2500000 0.7368421), wk = 0.0028902 k( 254) = ( 0.5065789 0.2500000 0.7434211), wk = 0.0028902 k( 255) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028902 k( 256) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028902 k( 257) = ( 0.5000000 0.2567568 0.7432432), wk = 0.0028902 k( 258) = ( 0.5000000 0.2635135 0.7364865), wk = 0.0028902 k( 259) = ( 0.5000000 0.2702703 0.7297297), wk = 0.0028902 k( 260) = ( 0.5000000 0.2770270 0.7229730), wk = 0.0028902 k( 261) = ( 0.5000000 0.2837838 0.7162162), wk = 0.0028902 k( 262) = ( 0.5000000 0.2905405 0.7094595), wk = 0.0028902 k( 263) = ( 0.5000000 0.2972973 0.7027027), wk = 0.0028902 k( 264) = ( 0.5000000 0.3040541 0.6959460), wk = 0.0028902 k( 265) = ( 0.5000000 0.3108108 0.6891892), wk = 0.0028902 k( 266) = ( 0.5000000 0.3175676 0.6824324), wk = 0.0028902 k( 267) = ( 0.5000000 0.3243243 0.6756757), wk = 0.0028902 k( 268) = ( 0.5000000 0.3310811 0.6689189), wk = 0.0028902 k( 269) = ( 0.5000000 0.3378378 0.6621622), wk = 0.0028902 k( 270) = ( 0.5000000 0.3445946 0.6554054), wk = 0.0028902 k( 271) = ( 0.5000000 0.3513514 0.6486487), wk = 0.0028902 k( 272) = ( 0.5000000 0.3581081 0.6418919), wk = 0.0028902 k( 273) = ( 0.5000000 0.3648649 0.6351351), wk = 0.0028902 k( 274) = ( 0.5000000 0.3716216 0.6283784), wk = 0.0028902 k( 275) = ( 0.5000000 0.3783784 0.6216216), wk = 0.0028902 k( 276) = ( 0.5000000 0.3851351 0.6148649), wk = 0.0028902 k( 277) = ( 0.5000000 0.3918919 0.6081081), wk = 0.0028902 k( 278) = ( 0.5000000 0.3986486 0.6013514), wk = 0.0028902 k( 279) = ( 0.5000000 0.4054054 0.5945946), wk = 0.0028902 k( 280) = ( 0.5000000 0.4121622 0.5878378), wk = 0.0028902 k( 281) = ( 0.5000000 0.4189189 0.5810811), wk = 0.0028902 k( 282) = ( 0.5000000 0.4256757 0.5743243), wk = 0.0028902 k( 283) = ( 0.5000000 0.4324324 0.5675676), wk = 0.0028902 k( 284) = ( 0.5000000 0.4391892 0.5608108), wk = 0.0028902 k( 285) = ( 0.5000000 0.4459459 0.5540540), wk = 0.0028902 k( 286) = ( 0.5000000 0.4527027 0.5472973), wk = 0.0028902 k( 287) = ( 0.5000000 0.4594595 0.5405405), wk = 0.0028902 k( 288) = ( 0.5000000 0.4662162 0.5337838), wk = 0.0028902 k( 289) = ( 0.5000000 0.4729730 0.5270270), wk = 0.0028902 k( 290) = ( 0.5000000 0.4797297 0.5202703), wk = 0.0028902 k( 291) = ( 0.5000000 0.4864865 0.5135135), wk = 0.0028902 k( 292) = ( 0.5000000 0.4932432 0.5067568), wk = 0.0028902 k( 293) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028902 k( 294) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028902 k( 295) = ( 0.4960938 0.4960938 0.5078125), wk = 0.0028902 k( 296) = ( 0.4921875 0.4921875 0.5156250), wk = 0.0028902 k( 297) = ( 0.4882812 0.4882812 0.5234375), wk = 0.0028902 k( 298) = ( 0.4843750 0.4843750 0.5312500), wk = 0.0028902 k( 299) = ( 0.4804688 0.4804688 0.5390625), wk = 0.0028902 k( 300) = ( 0.4765625 0.4765625 0.5468750), wk = 0.0028902 k( 301) = ( 0.4726562 0.4726562 0.5546875), wk = 0.0028902 k( 302) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0028902 k( 303) = ( 0.4648438 0.4648438 0.5703125), wk = 0.0028902 k( 304) = ( 0.4609375 0.4609375 0.5781250), wk = 0.0028902 k( 305) = ( 0.4570312 0.4570313 0.5859375), wk = 0.0028902 k( 306) = ( 0.4531250 0.4531250 0.5937500), wk = 0.0028902 k( 307) = ( 0.4492188 0.4492188 0.6015625), wk = 0.0028902 k( 308) = ( 0.4453125 0.4453125 0.6093750), wk = 0.0028902 k( 309) = ( 0.4414062 0.4414063 0.6171875), wk = 0.0028902 k( 310) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0028902 k( 311) = ( 0.4335938 0.4335938 0.6328125), wk = 0.0028902 k( 312) = ( 0.4296875 0.4296875 0.6406250), wk = 0.0028902 k( 313) = ( 0.4257812 0.4257812 0.6484375), wk = 0.0028902 k( 314) = ( 0.4218750 0.4218750 0.6562500), wk = 0.0028902 k( 315) = ( 0.4179688 0.4179688 0.6640625), wk = 0.0028902 k( 316) = ( 0.4140625 0.4140625 0.6718750), wk = 0.0028902 k( 317) = ( 0.4101562 0.4101563 0.6796875), wk = 0.0028902 k( 318) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0028902 k( 319) = ( 0.4023438 0.4023438 0.6953125), wk = 0.0028902 k( 320) = ( 0.3984375 0.3984375 0.7031250), wk = 0.0028902 k( 321) = ( 0.3945312 0.3945313 0.7109375), wk = 0.0028902 k( 322) = ( 0.3906250 0.3906250 0.7187500), wk = 0.0028902 k( 323) = ( 0.3867188 0.3867188 0.7265625), wk = 0.0028902 k( 324) = ( 0.3828125 0.3828125 0.7343750), wk = 0.0028902 k( 325) = ( 0.3789062 0.3789063 0.7421875), wk = 0.0028902 k( 326) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028902 k( 327) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028902 k( 328) = ( 0.6184211 0.2368421 0.6184211), wk = 0.0028902 k( 329) = ( 0.6118421 0.2236842 0.6118421), wk = 0.0028902 k( 330) = ( 0.6052632 0.2105263 0.6052632), wk = 0.0028902 k( 331) = ( 0.5986842 0.1973684 0.5986842), wk = 0.0028902 k( 332) = ( 0.5921053 0.1842105 0.5921053), wk = 0.0028902 k( 333) = ( 0.5855263 0.1710526 0.5855263), wk = 0.0028902 k( 334) = ( 0.5789474 0.1578947 0.5789474), wk = 0.0028902 k( 335) = ( 0.5723684 0.1447368 0.5723684), wk = 0.0028902 k( 336) = ( 0.5657895 0.1315789 0.5657895), wk = 0.0028902 k( 337) = ( 0.5592105 0.1184210 0.5592105), wk = 0.0028902 k( 338) = ( 0.5526316 0.1052632 0.5526316), wk = 0.0028902 k( 339) = ( 0.5460526 0.0921053 0.5460526), wk = 0.0028902 k( 340) = ( 0.5394737 0.0789474 0.5394737), wk = 0.0028902 k( 341) = ( 0.5328947 0.0657895 0.5328947), wk = 0.0028902 k( 342) = ( 0.5263158 0.0526316 0.5263158), wk = 0.0028902 k( 343) = ( 0.5197368 0.0394737 0.5197368), wk = 0.0028902 k( 344) = ( 0.5131579 0.0263158 0.5131579), wk = 0.0028902 k( 345) = ( 0.5065789 0.0131579 0.5065790), wk = 0.0028902 k( 346) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028902 Dense grid: 37509 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.22 Mb ( 254, 58) NL pseudopotentials 0.26 Mb ( 127, 136) Each V/rho on FFT grid 0.07 Mb ( 4608) Each G-vector array 0.01 Mb ( 1042) G-vector shells 0.00 Mb ( 309) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.90 Mb ( 254, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.24 Mb ( 136, 2, 58) The potential is recalculated from file : ./NbAlRu2.save/charge-density.dat Starting wfc are 74 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.6 secs Computing kpt #: 2 total cpu time spent up to now is 3.0 secs Computing kpt #: 3 total cpu time spent up to now is 3.4 secs Computing kpt #: 4 total cpu time spent up to now is 4.0 secs Computing kpt #: 5 total cpu time spent up to now is 4.5 secs Computing kpt #: 6 total cpu time spent up to now is 5.1 secs Computing kpt #: 7 total cpu time spent up to now is 5.5 secs Computing kpt #: 8 total cpu time spent up to now is 6.0 secs Computing kpt #: 9 total cpu time spent up to now is 6.4 secs Computing kpt #: 10 total cpu time spent up to now is 6.9 secs Computing kpt #: 11 total cpu time spent up to now is 7.3 secs Computing kpt #: 12 total cpu time spent up to now is 7.8 secs Computing kpt #: 13 total cpu time spent up to now is 8.2 secs Computing kpt #: 14 total cpu time spent up to now is 8.6 secs Computing kpt #: 15 total cpu time spent up to now is 9.1 secs Computing kpt #: 16 total cpu time spent up to now is 9.6 secs Computing kpt #: 17 total cpu time spent up to now is 10.0 secs Computing kpt #: 18 total cpu time spent up to now is 10.5 secs Computing kpt #: 19 total cpu time spent up to now is 10.9 secs Computing kpt #: 20 total cpu time spent up to now is 11.4 secs Computing kpt #: 21 total cpu time spent up to now is 11.8 secs Computing kpt #: 22 total cpu time spent up to now is 12.2 secs Computing kpt #: 23 total cpu time spent up to now is 12.7 secs Computing kpt #: 24 total cpu time spent up to now is 13.1 secs Computing kpt #: 25 total cpu time spent up to now is 13.6 secs Computing kpt #: 26 total cpu time spent up to now is 14.0 secs Computing kpt #: 27 total cpu time spent up to now is 14.5 secs Computing kpt #: 28 total cpu time spent up to now is 14.9 secs Computing kpt #: 29 total cpu time spent up to now is 15.3 secs Computing kpt #: 30 total cpu time spent up to now is 15.8 secs Computing kpt #: 31 total cpu time spent up to now is 16.2 secs Computing kpt #: 32 total cpu time spent up to now is 16.7 secs Computing kpt #: 33 total cpu time spent up to now is 17.1 secs Computing kpt #: 34 total cpu time spent up to now is 17.6 secs Computing kpt #: 35 total cpu time spent up to now is 18.1 secs Computing kpt #: 36 total cpu time spent up to now is 18.5 secs Computing kpt #: 37 total cpu time spent up to now is 19.0 secs Computing kpt #: 38 total cpu time spent up to now is 19.5 secs Computing kpt #: 39 total cpu time spent up to now is 20.0 secs Computing kpt #: 40 total cpu time spent up to now is 20.4 secs Computing kpt #: 41 total cpu time spent up to now is 20.9 secs Computing kpt #: 42 total cpu time spent up to now is 21.4 secs Computing kpt #: 43 total cpu time spent up to now is 21.9 secs Computing kpt #: 44 total cpu time spent up to now is 22.4 secs Computing kpt #: 45 total cpu time spent up to now is 22.9 secs Computing kpt #: 46 total cpu time spent up to now is 23.4 secs Computing kpt #: 47 total cpu time spent up to now is 23.9 secs Computing kpt #: 48 total cpu time spent up to now is 24.5 secs Computing kpt #: 49 total cpu time spent up to now is 25.0 secs Computing kpt #: 50 total cpu time spent up to now is 25.5 secs Computing kpt #: 51 total cpu time spent up to now is 26.1 secs Computing kpt #: 52 total cpu time spent up to now is 26.6 secs Computing kpt #: 53 total cpu time spent up to now is 27.3 secs Computing kpt #: 54 total cpu time spent up to now is 28.0 secs Computing kpt #: 55 total cpu time spent up to now is 28.6 secs Computing kpt #: 56 total cpu time spent up to now is 29.1 secs Computing kpt #: 57 total cpu time spent up to now is 29.6 secs Computing kpt #: 58 total cpu time spent up to now is 30.1 secs Computing kpt #: 59 total cpu time spent up to now is 30.6 secs Computing kpt #: 60 total cpu time spent up to now is 31.2 secs Computing kpt #: 61 total cpu time spent up to now is 31.7 secs Computing kpt #: 62 total cpu time spent up to now is 32.2 secs Computing kpt #: 63 total cpu time spent up to now is 32.7 secs Computing kpt #: 64 total cpu time spent up to now is 33.2 secs Computing kpt #: 65 total cpu time spent up to now is 33.7 secs Computing kpt #: 66 total cpu time spent up to now is 34.2 secs Computing kpt #: 67 total cpu time spent up to now is 34.7 secs Computing kpt #: 68 total cpu time spent up to now is 35.3 secs Computing kpt #: 69 total cpu time spent up to now is 35.8 secs Computing kpt #: 70 total cpu time spent up to now is 36.3 secs Computing kpt #: 71 total cpu time spent up to now is 36.8 secs Computing kpt #: 72 total cpu time spent up to now is 37.2 secs Computing kpt #: 73 total cpu time spent up to now is 37.8 secs Computing kpt #: 74 total cpu time spent up to now is 38.3 secs Computing kpt #: 75 total cpu time spent up to now is 38.8 secs Computing kpt #: 76 total cpu time spent up to now is 39.3 secs Computing kpt #: 77 total cpu time spent up to now is 39.8 secs Computing kpt #: 78 total cpu time spent up to now is 40.3 secs Computing kpt #: 79 total cpu time spent up to now is 40.8 secs Computing kpt #: 80 total cpu time spent up to now is 41.3 secs Computing kpt #: 81 total cpu time spent up to now is 41.8 secs Computing kpt #: 82 total cpu time spent up to now is 42.4 secs Computing kpt #: 83 total cpu time spent up to now is 42.9 secs Computing kpt #: 84 total cpu time spent up to now is 43.4 secs Computing kpt #: 85 total cpu time spent up to now is 44.0 secs Computing kpt #: 86 total cpu time spent up to now is 44.6 secs Computing kpt #: 87 total cpu time spent up to now is 45.2 secs Computing kpt #: 88 total cpu time spent up to now is 45.7 secs Computing kpt #: 89 total cpu time spent up to now is 46.3 secs Computing kpt #: 90 total cpu time spent up to now is 46.8 secs Computing kpt #: 91 total cpu time spent up to now is 47.3 secs Computing kpt #: 92 total cpu time spent up to now is 47.8 secs Computing kpt #: 93 total cpu time spent up to now is 48.3 secs Computing kpt #: 94 total cpu time spent up to now is 48.9 secs Computing kpt #: 95 total cpu time spent up to now is 49.4 secs Computing kpt #: 96 total cpu time spent up to now is 49.9 secs Computing kpt #: 97 total cpu time spent up to now is 50.4 secs Computing kpt #: 98 total cpu time spent up to now is 50.9 secs Computing kpt #: 99 total cpu time spent up to now is 51.4 secs Computing kpt #: 100 total cpu time spent up to now is 51.9 secs Computing kpt #: 101 total cpu time spent up to now is 52.4 secs Computing kpt #: 102 total cpu time spent up to now is 52.9 secs Computing kpt #: 103 total cpu time spent up to now is 53.4 secs Computing kpt #: 104 total cpu time spent up to now is 53.9 secs Computing kpt #: 105 total cpu time spent up to now is 54.3 secs Computing kpt #: 106 total cpu time spent up to now is 54.8 secs Computing kpt #: 107 total cpu time spent up to now is 55.3 secs Computing kpt #: 108 total cpu time spent up to now is 55.7 secs Computing kpt #: 109 total cpu time spent up to now is 56.2 secs Computing kpt #: 110 total cpu time spent up to now is 56.6 secs Computing kpt #: 111 total cpu time spent up to now is 57.1 secs Computing kpt #: 112 total cpu time spent up to now is 57.5 secs Computing kpt #: 113 total cpu time spent up to now is 58.0 secs Computing kpt #: 114 total cpu time spent up to now is 58.5 secs Computing kpt #: 115 total cpu time spent up to now is 58.9 secs Computing kpt #: 116 total cpu time spent up to now is 59.4 secs Computing kpt #: 117 total cpu time spent up to now is 59.9 secs Computing kpt #: 118 total cpu time spent up to now is 60.3 secs Computing kpt #: 119 total cpu time spent up to now is 60.8 secs Computing kpt #: 120 total cpu time spent up to now is 61.3 secs Computing kpt #: 121 total cpu time spent up to now is 61.8 secs Computing kpt #: 122 total cpu time spent up to now is 62.3 secs Computing kpt #: 123 total cpu time spent up to now is 62.8 secs Computing kpt #: 124 total cpu time spent up to now is 63.3 secs Computing kpt #: 125 total cpu time spent up to now is 63.8 secs Computing kpt #: 126 total cpu time spent up to now is 64.3 secs Computing kpt #: 127 total cpu time spent up to now is 64.8 secs Computing kpt #: 128 total cpu time spent up to now is 65.3 secs Computing kpt #: 129 total cpu time spent up to now is 65.8 secs Computing kpt #: 130 total cpu time spent up to now is 66.4 secs Computing kpt #: 131 total cpu time spent up to now is 67.0 secs Computing kpt #: 132 total cpu time spent up to now is 67.7 secs Computing kpt #: 133 total cpu time spent up to now is 68.6 secs Computing kpt #: 134 total cpu time spent up to now is 69.3 secs Computing kpt #: 135 total cpu time spent up to now is 69.9 secs Computing kpt #: 136 total cpu time spent up to now is 70.5 secs Computing kpt #: 137 total cpu time spent up to now is 71.1 secs Computing kpt #: 138 total cpu time spent up to now is 71.6 secs Computing kpt #: 139 total cpu time spent up to now is 72.1 secs Computing kpt #: 140 total cpu time spent up to now is 72.7 secs Computing kpt #: 141 total cpu time spent up to now is 73.1 secs Computing kpt #: 142 total cpu time spent up to now is 73.6 secs Computing kpt #: 143 total cpu time spent up to now is 74.1 secs Computing kpt #: 144 total cpu time spent up to now is 74.5 secs Computing kpt #: 145 total cpu time spent up to now is 75.0 secs Computing kpt #: 146 total cpu time spent up to now is 75.4 secs Computing kpt #: 147 total cpu time spent up to now is 75.9 secs Computing kpt #: 148 total cpu time spent up to now is 76.3 secs Computing kpt #: 149 total cpu time spent up to now is 76.7 secs Computing kpt #: 150 total cpu time spent up to now is 77.2 secs Computing kpt #: 151 total cpu time spent up to now is 77.7 secs Computing kpt #: 152 total cpu time spent up to now is 78.2 secs Computing kpt #: 153 total cpu time spent up to now is 78.7 secs Computing kpt #: 154 total cpu time spent up to now is 79.1 secs Computing kpt #: 155 total cpu time spent up to now is 79.6 secs Computing kpt #: 156 total cpu time spent up to now is 80.0 secs Computing kpt #: 157 total cpu time spent up to now is 80.4 secs Computing kpt #: 158 total cpu time spent up to now is 80.9 secs Computing kpt #: 159 total cpu time spent up to now is 81.3 secs Computing kpt #: 160 total cpu time spent up to now is 81.8 secs Computing kpt #: 161 total cpu time spent up to now is 82.2 secs Computing kpt #: 162 total cpu time spent up to now is 82.7 secs Computing kpt #: 163 total cpu time spent up to now is 83.2 secs Computing kpt #: 164 total cpu time spent up to now is 83.7 secs Computing kpt #: 165 total cpu time spent up to now is 84.1 secs Computing kpt #: 166 total cpu time spent up to now is 84.6 secs Computing kpt #: 167 total cpu time spent up to now is 85.1 secs Computing kpt #: 168 total cpu time spent up to now is 85.5 secs Computing kpt #: 169 total cpu time spent up to now is 86.0 secs Computing kpt #: 170 total cpu time spent up to now is 86.5 secs Computing kpt #: 171 total cpu time spent up to now is 87.0 secs Computing kpt #: 172 total cpu time spent up to now is 87.5 secs Computing kpt #: 173 total cpu time spent up to now is 88.0 secs Computing kpt #: 174 total cpu time spent up to now is 88.6 secs Computing kpt #: 175 total cpu time spent up to now is 89.2 secs Computing kpt #: 176 total cpu time spent up to now is 89.7 secs Computing kpt #: 177 total cpu time spent up to now is 90.3 secs Computing kpt #: 178 total cpu time spent up to now is 90.9 secs Computing kpt #: 179 total cpu time spent up to now is 91.5 secs Computing kpt #: 180 total cpu time spent up to now is 92.0 secs Computing kpt #: 181 total cpu time spent up to now is 92.5 secs Computing kpt #: 182 total cpu time spent up to now is 93.0 secs Computing kpt #: 183 total cpu time spent up to now is 93.5 secs Computing kpt #: 184 total cpu time spent up to now is 93.9 secs Computing kpt #: 185 total cpu time spent up to now is 94.4 secs Computing kpt #: 186 total cpu time spent up to now is 94.9 secs Computing kpt #: 187 total cpu time spent up to now is 95.3 secs Computing kpt #: 188 total cpu time spent up to now is 95.8 secs Computing kpt #: 189 total cpu time spent up to now is 96.2 secs Computing kpt #: 190 total cpu time spent up to now is 96.7 secs Computing kpt #: 191 total cpu time spent up to now is 97.1 secs Computing kpt #: 192 total cpu time spent up to now is 97.5 secs Computing kpt #: 193 total cpu time spent up to now is 98.0 secs Computing kpt #: 194 total cpu time spent up to now is 98.4 secs Computing kpt #: 195 total cpu time spent up to now is 98.9 secs Computing kpt #: 196 total cpu time spent up to now is 99.3 secs Computing kpt #: 197 total cpu time spent up to now is 99.7 secs Computing kpt #: 198 total cpu time spent up to now is 100.1 secs Computing kpt #: 199 total cpu time spent up to now is 100.6 secs Computing kpt #: 200 total cpu time spent up to now is 101.0 secs Computing kpt #: 201 total cpu time spent up to now is 101.4 secs Computing kpt #: 202 total cpu time spent up to now is 101.8 secs Computing kpt #: 203 total cpu time spent up to now is 102.2 secs Computing kpt #: 204 total cpu time spent up to now is 102.6 secs Computing kpt #: 205 total cpu time spent up to now is 103.0 secs Computing kpt #: 206 total cpu time spent up to now is 103.4 secs Computing kpt #: 207 total cpu time spent up to now is 103.9 secs Computing kpt #: 208 total cpu time spent up to now is 104.3 secs Computing kpt #: 209 total cpu time spent up to now is 104.7 secs Computing kpt #: 210 total cpu time spent up to now is 105.1 secs Computing kpt #: 211 total cpu time spent up to now is 105.6 secs Computing kpt #: 212 total cpu time spent up to now is 106.0 secs Computing kpt #: 213 total cpu time spent up to now is 106.4 secs Computing kpt #: 214 total cpu time spent up to now is 106.9 secs Computing kpt #: 215 total cpu time spent up to now is 107.3 secs Computing kpt #: 216 total cpu time spent up to now is 107.8 secs Computing kpt #: 217 total cpu time spent up to now is 108.2 secs Computing kpt #: 218 total cpu time spent up to now is 108.7 secs Computing kpt #: 219 total cpu time spent up to now is 109.2 secs Computing kpt #: 220 total cpu time spent up to now is 109.7 secs Computing kpt #: 221 total cpu time spent up to now is 110.2 secs Computing kpt #: 222 total cpu time spent up to now is 110.6 secs Computing kpt #: 223 total cpu time spent up to now is 111.1 secs Computing kpt #: 224 total cpu time spent up to now is 111.6 secs Computing kpt #: 225 total cpu time spent up to now is 112.0 secs Computing kpt #: 226 total cpu time spent up to now is 112.5 secs Computing kpt #: 227 total cpu time spent up to now is 113.0 secs Computing kpt #: 228 total cpu time spent up to now is 113.5 secs Computing kpt #: 229 total cpu time spent up to now is 114.0 secs Computing kpt #: 230 total cpu time spent up to now is 114.5 secs Computing kpt #: 231 total cpu time spent up to now is 114.9 secs Computing kpt #: 232 total cpu time spent up to now is 115.4 secs Computing kpt #: 233 total cpu time spent up to now is 115.9 secs Computing kpt #: 234 total cpu time spent up to now is 116.4 secs Computing kpt #: 235 total cpu time spent up to now is 116.9 secs Computing kpt #: 236 total cpu time spent up to now is 117.4 secs Computing kpt #: 237 total cpu time spent up to now is 117.9 secs Computing kpt #: 238 total cpu time spent up to now is 118.4 secs Computing kpt #: 239 total cpu time spent up to now is 119.0 secs Computing kpt #: 240 total cpu time spent up to now is 119.5 secs Computing kpt #: 241 total cpu time spent up to now is 120.0 secs Computing kpt #: 242 total cpu time spent up to now is 120.5 secs Computing kpt #: 243 total cpu time spent up to now is 121.0 secs Computing kpt #: 244 total cpu time spent up to now is 121.6 secs Computing kpt #: 245 total cpu time spent up to now is 122.1 secs Computing kpt #: 246 total cpu time spent up to now is 122.6 secs Computing kpt #: 247 total cpu time spent up to now is 123.1 secs Computing kpt #: 248 total cpu time spent up to now is 123.7 secs Computing kpt #: 249 total cpu time spent up to now is 124.2 secs Computing kpt #: 250 total cpu time spent up to now is 124.7 secs Computing kpt #: 251 total cpu time spent up to now is 125.2 secs Computing kpt #: 252 total cpu time spent up to now is 125.7 secs Computing kpt #: 253 total cpu time spent up to now is 126.3 secs Computing kpt #: 254 total cpu time spent up to now is 126.8 secs Computing kpt #: 255 total cpu time spent up to now is 127.3 secs Computing kpt #: 256 total cpu time spent up to now is 127.8 secs Computing kpt #: 257 total cpu time spent up to now is 128.4 secs Computing kpt #: 258 total cpu time spent up to now is 128.9 secs Computing kpt #: 259 total cpu time spent up to now is 129.4 secs Computing kpt #: 260 total cpu time spent up to now is 129.9 secs Computing kpt #: 261 total cpu time spent up to now is 130.4 secs Computing kpt #: 262 total cpu time spent up to now is 130.8 secs Computing kpt #: 263 total cpu time spent up to now is 131.3 secs Computing kpt #: 264 total cpu time spent up to now is 131.8 secs Computing kpt #: 265 total cpu time spent up to now is 132.3 secs Computing kpt #: 266 total cpu time spent up to now is 132.7 secs Computing kpt #: 267 total cpu time spent up to now is 133.2 secs Computing kpt #: 268 total cpu time spent up to now is 133.7 secs Computing kpt #: 269 total cpu time spent up to now is 134.2 secs Computing kpt #: 270 total cpu time spent up to now is 134.7 secs Computing kpt #: 271 total cpu time spent up to now is 135.2 secs Computing kpt #: 272 total cpu time spent up to now is 135.7 secs Computing kpt #: 273 total cpu time spent up to now is 136.2 secs Computing kpt #: 274 total cpu time spent up to now is 136.6 secs Computing kpt #: 275 total cpu time spent up to now is 137.1 secs Computing kpt #: 276 total cpu time spent up to now is 137.5 secs Computing kpt #: 277 total cpu time spent up to now is 138.0 secs Computing kpt #: 278 total cpu time spent up to now is 138.5 secs Computing kpt #: 279 total cpu time spent up to now is 138.9 secs Computing kpt #: 280 total cpu time spent up to now is 139.4 secs Computing kpt #: 281 total cpu time spent up to now is 139.8 secs Computing kpt #: 282 total cpu time spent up to now is 140.2 secs Computing kpt #: 283 total cpu time spent up to now is 140.7 secs Computing kpt #: 284 total cpu time spent up to now is 141.1 secs Computing kpt #: 285 total cpu time spent up to now is 141.5 secs Computing kpt #: 286 total cpu time spent up to now is 142.0 secs Computing kpt #: 287 total cpu time spent up to now is 142.4 secs Computing kpt #: 288 total cpu time spent up to now is 142.8 secs Computing kpt #: 289 total cpu time spent up to now is 143.2 secs Computing kpt #: 290 total cpu time spent up to now is 143.6 secs Computing kpt #: 291 total cpu time spent up to now is 144.1 secs Computing kpt #: 292 total cpu time spent up to now is 144.5 secs Computing kpt #: 293 total cpu time spent up to now is 144.9 secs Computing kpt #: 294 total cpu time spent up to now is 145.3 secs Computing kpt #: 295 total cpu time spent up to now is 145.7 secs Computing kpt #: 296 total cpu time spent up to now is 146.1 secs Computing kpt #: 297 total cpu time spent up to now is 146.5 secs Computing kpt #: 298 total cpu time spent up to now is 146.9 secs Computing kpt #: 299 total cpu time spent up to now is 147.3 secs Computing kpt #: 300 total cpu time spent up to now is 147.8 secs Computing kpt #: 301 total cpu time spent up to now is 148.2 secs Computing kpt #: 302 total cpu time spent up to now is 148.6 secs Computing kpt #: 303 total cpu time spent up to now is 149.1 secs Computing kpt #: 304 total cpu time spent up to now is 149.5 secs Computing kpt #: 305 total cpu time spent up to now is 150.0 secs Computing kpt #: 306 total cpu time spent up to now is 150.4 secs Computing kpt #: 307 total cpu time spent up to now is 150.9 secs Computing kpt #: 308 total cpu time spent up to now is 151.3 secs Computing kpt #: 309 total cpu time spent up to now is 151.8 secs Computing kpt #: 310 total cpu time spent up to now is 152.3 secs Computing kpt #: 311 total cpu time spent up to now is 152.7 secs Computing kpt #: 312 total cpu time spent up to now is 153.2 secs Computing kpt #: 313 total cpu time spent up to now is 153.7 secs Computing kpt #: 314 total cpu time spent up to now is 154.1 secs Computing kpt #: 315 total cpu time spent up to now is 154.6 secs Computing kpt #: 316 total cpu time spent up to now is 155.1 secs Computing kpt #: 317 total cpu time spent up to now is 155.6 secs Computing kpt #: 318 total cpu time spent up to now is 156.0 secs Computing kpt #: 319 total cpu time spent up to now is 156.5 secs Computing kpt #: 320 total cpu time spent up to now is 157.0 secs Computing kpt #: 321 total cpu time spent up to now is 157.5 secs Computing kpt #: 322 total cpu time spent up to now is 158.0 secs Computing kpt #: 323 total cpu time spent up to now is 158.5 secs Computing kpt #: 324 total cpu time spent up to now is 158.9 secs Computing kpt #: 325 total cpu time spent up to now is 159.4 secs Computing kpt #: 326 total cpu time spent up to now is 159.9 secs Computing kpt #: 327 total cpu time spent up to now is 160.4 secs Computing kpt #: 328 total cpu time spent up to now is 160.9 secs Computing kpt #: 329 total cpu time spent up to now is 161.5 secs Computing kpt #: 330 total cpu time spent up to now is 162.0 secs Computing kpt #: 331 total cpu time spent up to now is 162.5 secs Computing kpt #: 332 total cpu time spent up to now is 163.0 secs Computing kpt #: 333 total cpu time spent up to now is 163.5 secs Computing kpt #: 334 total cpu time spent up to now is 164.0 secs Computing kpt #: 335 total cpu time spent up to now is 164.6 secs Computing kpt #: 336 total cpu time spent up to now is 165.1 secs Computing kpt #: 337 total cpu time spent up to now is 165.6 secs Computing kpt #: 338 total cpu time spent up to now is 166.1 secs Computing kpt #: 339 total cpu time spent up to now is 166.6 secs Computing kpt #: 340 total cpu time spent up to now is 167.1 secs Computing kpt #: 341 total cpu time spent up to now is 167.7 secs Computing kpt #: 342 total cpu time spent up to now is 168.3 secs Computing kpt #: 343 total cpu time spent up to now is 168.8 secs Computing kpt #: 344 total cpu time spent up to now is 169.5 secs Computing kpt #: 345 total cpu time spent up to now is 170.2 secs Computing kpt #: 346 total cpu time spent up to now is 170.8 secs ethr = 2.08E-08, avg # of iterations = 16.1 total cpu time spent up to now is 170.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4693 PWs) bands (ev): -52.0913 -52.0913 -52.0539 -52.0539 -35.9610 -35.9610 -24.7470 -24.7470 -24.6392 -24.6392 -21.5972 -21.5972 -21.5972 -21.5972 -21.4586 -21.4586 -21.4586 -21.4586 -13.5267 -13.5267 -11.4250 -11.4250 -11.4250 -11.4250 10.5008 10.5008 14.3206 14.3206 14.3206 14.3206 15.1638 15.1638 15.1638 15.1638 15.1750 15.1750 17.1328 17.1328 17.1328 17.1328 17.1463 17.1463 19.5267 19.5267 19.5288 19.5288 19.5288 19.5288 19.9547 19.9547 19.9547 19.9547 21.6033 21.6033 21.6033 21.6033 24.8116 24.8116 k = 0.0096-0.0056 0.0079 ( 4685 PWs) bands (ev): -52.0913 -52.0913 -52.0539 -52.0539 -35.9610 -35.9610 -24.7469 -24.7469 -24.6392 -24.6392 -21.5972 -21.5972 -21.5971 -21.5971 -21.4587 -21.4587 -21.4586 -21.4586 -13.5267 -13.5267 -11.4251 -11.4251 -11.4250 -11.4250 10.5026 10.5026 14.3199 14.3199 14.3215 14.3215 15.1641 15.1641 15.1644 15.1644 15.1754 15.1754 17.1321 17.1321 17.1338 17.1338 17.1466 17.1466 19.5119 19.5119 19.5246 19.5246 19.5259 19.5259 19.9546 19.9546 19.9690 19.9690 21.6012 21.6012 21.6032 21.6032 24.8018 24.8018 k = 0.0192-0.0111 0.0157 ( 4677 PWs) bands (ev): -52.0912 -52.0912 -52.0539 -52.0539 -35.9610 -35.9610 -24.7469 -24.7469 -24.6392 -24.6392 -21.5973 -21.5973 -21.5968 -21.5968 -21.4589 -21.4589 -21.4585 -21.4585 -13.5267 -13.5267 -11.4251 -11.4251 -11.4250 -11.4250 10.5082 10.5082 14.3178 14.3178 14.3243 14.3243 15.1649 15.1649 15.1661 15.1661 15.1767 15.1767 17.1290 17.1290 17.1367 17.1367 17.1483 17.1483 19.4691 19.4691 19.5160 19.5160 19.5173 19.5173 19.9543 19.9543 20.0066 20.0066 21.5951 21.5951 21.6030 21.6030 24.7761 24.7761 k = 0.0288-0.0167 0.0236 ( 4673 PWs) bands (ev): -52.0912 -52.0912 -52.0540 -52.0540 -35.9610 -35.9610 -24.7467 -24.7467 -24.6394 -24.6394 -21.5975 -21.5975 -21.5963 -21.5963 -21.4594 -21.4594 -21.4584 -21.4584 -13.5266 -13.5266 -11.4252 -11.4252 -11.4249 -11.4249 10.5174 10.5174 14.3142 14.3142 14.3289 14.3289 15.1662 15.1662 15.1689 15.1689 15.1791 15.1791 17.1223 17.1223 17.1416 17.1416 17.1525 17.1525 19.4095 19.4095 19.5019 19.5019 19.5030 19.5030 19.9539 19.9539 20.0577 20.0577 21.5850 21.5850 21.6026 21.6026 24.7409 24.7409 k = 0.0385-0.0222 0.0314 ( 4673 PWs) bands (ev): -52.0911 -52.0911 -52.0541 -52.0541 -35.9611 -35.9611 -24.7465 -24.7465 -24.6396 -24.6396 -21.5978 -21.5978 -21.5956 -21.5956 -21.4600 -21.4600 -21.4582 -21.4582 -13.5265 -13.5265 -11.4253 -11.4253 -11.4248 -11.4248 10.5304 10.5304 14.3089 14.3089 14.3354 14.3354 15.1679 15.1679 15.1728 15.1728 15.1827 15.1827 17.1118 17.1118 17.1485 17.1485 17.1594 17.1594 19.3407 19.3407 19.4824 19.4824 19.4833 19.4833 19.9533 19.9533 20.1149 20.1149 21.5709 21.5709 21.6020 21.6020 24.7008 24.7008 k = 0.0481-0.0278 0.0393 ( 4685 PWs) bands (ev): -52.0910 -52.0910 -52.0542 -52.0542 -35.9611 -35.9611 -24.7463 -24.7463 -24.6398 -24.6398 -21.5981 -21.5981 -21.5948 -21.5948 -21.4609 -21.4609 -21.4580 -21.4580 -13.5264 -13.5264 -11.4254 -11.4254 -11.4247 -11.4247 10.5470 10.5470 14.3019 14.3019 14.3438 14.3438 15.1703 15.1703 15.1778 15.1778 15.1877 15.1877 17.0975 17.0975 17.1574 17.1574 17.1686 17.1686 19.2671 19.2671 19.4576 19.4576 19.4583 19.4583 19.9525 19.9525 20.1741 20.1741 21.5527 21.5527 21.6012 21.6012 24.6587 24.6587 k = 0.0577-0.0333 0.0471 ( 4701 PWs) bands (ev): -52.0908 -52.0908 -52.0543 -52.0543 -35.9612 -35.9612 -24.7461 -24.7461 -24.6401 -24.6401 -21.5985 -21.5985 -21.5939 -21.5939 -21.4620 -21.4620 -21.4578 -21.4578 -13.5262 -13.5262 -11.4255 -11.4255 -11.4245 -11.4245 10.5672 10.5672 14.2928 14.2928 14.3540 14.3540 15.1737 15.1737 15.1840 15.1840 15.1940 15.1940 17.0794 17.0794 17.1683 17.1683 17.1801 17.1801 19.1917 19.1917 19.4278 19.4278 19.4282 19.4282 19.9516 19.9516 20.2329 20.2329 21.5307 21.5307 21.6002 21.6002 24.6157 24.6157 k = 0.0673-0.0389 0.0550 ( 4709 PWs) bands (ev): -52.0907 -52.0907 -52.0544 -52.0544 -35.9613 -35.9613 -24.7457 -24.7457 -24.6405 -24.6405 -21.5990 -21.5990 -21.5926 -21.5926 -21.4632 -21.4632 -21.4575 -21.4575 -13.5260 -13.5260 -11.4257 -11.4257 -11.4243 -11.4243 10.5910 10.5910 14.2815 14.2815 14.3660 14.3660 15.1785 15.1785 15.1912 15.1912 15.2015 15.2015 17.0572 17.0572 17.1811 17.1811 17.1938 17.1938 19.1161 19.1161 19.3933 19.3933 19.3935 19.3935 19.9505 19.9505 20.2900 20.2900 21.5048 21.5048 21.5989 21.5989 24.5724 24.5724 k = 0.0769-0.0444 0.0628 ( 4717 PWs) bands (ev): -52.0905 -52.0905 -52.0546 -52.0546 -35.9614 -35.9614 -24.7454 -24.7454 -24.6410 -24.6410 -21.5996 -21.5996 -21.5912 -21.5912 -21.4646 -21.4646 -21.4572 -21.4572 -13.5258 -13.5258 -11.4259 -11.4259 -11.4241 -11.4241 10.6184 10.6184 14.2677 14.2677 14.3798 14.3798 15.1849 15.1849 15.1995 15.1995 15.2102 15.2102 17.0306 17.0306 17.1959 17.1959 17.2097 17.2097 19.0419 19.0419 19.3543 19.3543 19.3544 19.3544 19.9492 19.9492 20.3445 20.3445 21.4751 21.4751 21.5973 21.5973 24.5291 24.5291 k = 0.0865-0.0500 0.0707 ( 4713 PWs) bands (ev): -52.0903 -52.0903 -52.0548 -52.0548 -35.9615 -35.9615 -24.7450 -24.7450 -24.6414 -24.6414 -21.6002 -21.6002 -21.5897 -21.5897 -21.4661 -21.4661 -21.4568 -21.4568 -13.5256 -13.5256 -11.4261 -11.4261 -11.4239 -11.4239 10.6493 10.6493 14.2513 14.2513 14.3954 14.3954 15.1933 15.1933 15.2088 15.2088 15.2201 15.2201 16.9993 16.9993 17.2128 17.2128 17.2277 17.2277 18.9700 18.9700 19.3111 19.3111 19.3114 19.3114 19.9478 19.9478 20.3959 20.3959 21.4418 21.4418 21.5955 21.5955 24.4856 24.4856 k = 0.0962-0.0555 0.0785 ( 4721 PWs) bands (ev): -52.0901 -52.0901 -52.0550 -52.0550 -35.9616 -35.9616 -24.7445 -24.7445 -24.6419 -24.6419 -21.6009 -21.6009 -21.5879 -21.5879 -21.4678 -21.4678 -21.4564 -21.4564 -13.5253 -13.5253 -11.4263 -11.4263 -11.4236 -11.4236 10.6837 10.6837 14.2322 14.2322 14.4128 14.4128 15.2040 15.2040 15.2191 15.2191 15.2312 15.2312 16.9631 16.9631 17.2316 17.2316 17.2479 17.2479 18.9015 18.9015 19.2642 19.2642 19.2646 19.2646 19.9463 19.9463 20.4439 20.4439 21.4048 21.4048 21.5932 21.5932 24.4418 24.4418 k = 0.1058-0.0611 0.0864 ( 4717 PWs) bands (ev): -52.0899 -52.0899 -52.0552 -52.0552 -35.9617 -35.9617 -24.7440 -24.7440 -24.6425 -24.6425 -21.6016 -21.6016 -21.5860 -21.5860 -21.4696 -21.4696 -21.4559 -21.4559 -13.5251 -13.5251 -11.4266 -11.4266 -11.4233 -11.4233 10.7214 10.7214 14.2102 14.2102 14.4320 14.4320 15.2172 15.2172 15.2305 15.2305 15.2433 15.2433 16.9217 16.9217 17.2524 17.2524 17.2703 17.2703 18.8371 18.8371 19.2139 19.2139 19.2144 19.2144 19.9446 19.9446 20.4882 20.4882 21.3644 21.3644 21.5906 21.5906 24.3974 24.3974 k = 0.1154-0.0666 0.0942 ( 4725 PWs) bands (ev): -52.0896 -52.0896 -52.0554 -52.0554 -35.9619 -35.9619 -24.7434 -24.7434 -24.6431 -24.6431 -21.6023 -21.6023 -21.5839 -21.5839 -21.4716 -21.4716 -21.4555 -21.4555 -13.5248 -13.5248 -11.4269 -11.4269 -11.4230 -11.4230 10.7625 10.7625 14.1855 14.1855 14.4529 14.4529 15.2331 15.2331 15.2428 15.2428 15.2565 15.2565 16.8750 16.8750 17.2752 17.2752 17.2949 17.2949 18.7773 18.7773 19.1608 19.1608 19.1612 19.1612 19.9427 19.9427 20.5287 20.5287 21.3206 21.3206 21.5875 21.5875 24.3520 24.3520 k = 0.1250-0.0722 0.1021 ( 4717 PWs) bands (ev): -52.0894 -52.0894 -52.0556 -52.0556 -35.9620 -35.9620 -24.7427 -24.7427 -24.6437 -24.6437 -21.6032 -21.6032 -21.5816 -21.5816 -21.4737 -21.4737 -21.4550 -21.4550 -13.5244 -13.5244 -11.4272 -11.4272 -11.4226 -11.4226 10.8069 10.8069 14.1581 14.1581 14.4756 14.4756 15.2518 15.2518 15.2561 15.2561 15.2707 15.2707 16.8229 16.8229 17.3000 17.3000 17.3216 17.3216 18.7228 18.7228 19.1050 19.1050 19.1053 19.1053 19.9408 19.9408 20.5655 20.5655 21.2735 21.2735 21.5839 21.5839 24.3052 24.3052 k = 0.1346-0.0777 0.1099 ( 4713 PWs) bands (ev): -52.0891 -52.0891 -52.0559 -52.0559 -35.9621 -35.9621 -24.7421 -24.7421 -24.6444 -24.6444 -21.6040 -21.6040 -21.5793 -21.5793 -21.4760 -21.4760 -21.4544 -21.4544 -13.5241 -13.5241 -11.4275 -11.4275 -11.4223 -11.4223 10.8543 10.8543 14.1281 14.1281 14.4999 14.4999 15.2703 15.2703 15.2731 15.2731 15.2859 15.2859 16.7655 16.7655 17.3267 17.3267 17.3504 17.3504 18.6738 18.6738 19.0470 19.0470 19.0471 19.0471 19.9387 19.9387 20.5983 20.5983 21.2233 21.2233 21.5799 21.5799 24.2566 24.2566 k = 0.1442-0.0833 0.1178 ( 4729 PWs) bands (ev): -52.0888 -52.0888 -52.0562 -52.0562 -35.9623 -35.9623 -24.7415 -24.7415 -24.6451 -24.6451 -21.6051 -21.6051 -21.5768 -21.5768 -21.4783 -21.4783 -21.4539 -21.4539 -13.5237 -13.5237 -11.4278 -11.4278 -11.4219 -11.4219 10.9049 10.9049 14.0958 14.0958 14.5259 14.5259 15.2853 15.2853 15.2969 15.2969 15.3024 15.3024 16.7029 16.7029 17.3554 17.3554 17.3814 17.3814 18.6304 18.6304 18.9868 18.9868 18.9872 18.9872 19.9365 19.9365 20.6274 20.6274 21.1702 21.1702 21.5752 21.5752 24.2058 24.2058 k = 0.1538-0.0888 0.1256 ( 4721 PWs) bands (ev): -52.0885 -52.0885 -52.0565 -52.0565 -35.9625 -35.9625 -24.7408 -24.7408 -24.6458 -24.6458 -21.6060 -21.6060 -21.5742 -21.5742 -21.4808 -21.4808 -21.4532 -21.4532 -13.5233 -13.5233 -11.4281 -11.4281 -11.4215 -11.4215 10.9583 10.9583 14.0614 14.0614 14.5536 14.5536 15.3013 15.3013 15.3183 15.3183 15.3247 15.3247 16.6356 16.6356 17.3860 17.3860 17.4145 17.4145 18.5926 18.5926 18.9249 18.9249 18.9260 18.9260 19.9342 19.9342 20.6527 20.6527 21.1142 21.1142 21.5700 21.5700 24.1523 24.1523 k = 0.1635-0.0944 0.1335 ( 4729 PWs) bands (ev): -52.0881 -52.0881 -52.0568 -52.0568 -35.9626 -35.9626 -24.7400 -24.7400 -24.6467 -24.6467 -21.6071 -21.6071 -21.5714 -21.5714 -21.4834 -21.4834 -21.4526 -21.4526 -13.5229 -13.5229 -11.4285 -11.4285 -11.4211 -11.4211 11.0146 11.0146 14.0252 14.0252 14.5828 14.5828 15.3180 15.3180 15.3365 15.3365 15.3535 15.3535 16.5638 16.5638 17.4183 17.4183 17.4497 17.4497 18.5603 18.5603 18.8616 18.8616 18.8636 18.8636 19.9318 19.9318 20.6744 20.6744 21.0555 21.0555 21.5641 21.5641 24.0957 24.0957 k = 0.1731-0.0999 0.1413 ( 4729 PWs) bands (ev): -52.0878 -52.0878 -52.0571 -52.0571 -35.9628 -35.9628 -24.7393 -24.7393 -24.6475 -24.6475 -21.6081 -21.6081 -21.5686 -21.5686 -21.4861 -21.4861 -21.4520 -21.4520 -13.5225 -13.5225 -11.4288 -11.4288 -11.4206 -11.4206 11.0736 11.0736 13.9876 13.9876 14.6136 14.6136 15.3356 15.3356 15.3553 15.3553 15.3848 15.3848 16.4881 16.4881 17.4524 17.4524 17.4870 17.4870 18.5332 18.5332 18.7975 18.7975 18.8005 18.8005 19.9293 19.9293 20.6926 20.6926 20.9944 20.9944 21.5576 21.5576 24.0356 24.0356 k = 0.1827-0.1055 0.1492 ( 4729 PWs) bands (ev): -52.0874 -52.0874 -52.0574 -52.0574 -35.9630 -35.9630 -24.7385 -24.7385 -24.6483 -24.6483 -21.6092 -21.6092 -21.5657 -21.5657 -21.4888 -21.4888 -21.4513 -21.4513 -13.5221 -13.5221 -11.4292 -11.4292 -11.4202 -11.4202 11.1350 11.1350 13.9490 13.9490 14.6460 14.6460 15.3539 15.3539 15.3749 15.3749 15.4181 15.4181 16.4091 16.4091 17.4880 17.4880 17.5262 17.5262 18.5109 18.5109 18.7328 18.7328 18.7370 18.7370 19.9268 19.9268 20.7074 20.7074 20.9309 20.9309 21.5503 21.5503 23.9717 23.9717 k = 0.1923-0.1110 0.1570 ( 4717 PWs) bands (ev): -52.0871 -52.0871 -52.0578 -52.0578 -35.9632 -35.9632 -24.7377 -24.7377 -24.6492 -24.6492 -21.6103 -21.6103 -21.5626 -21.5626 -21.4916 -21.4916 -21.4506 -21.4506 -13.5217 -13.5217 -11.4296 -11.4296 -11.4197 -11.4197 11.1988 11.1988 13.9097 13.9097 14.6798 14.6798 15.3730 15.3730 15.3952 15.3952 15.4531 15.4531 16.3274 16.3274 17.5250 17.5250 17.5673 17.5673 18.4928 18.4928 18.6681 18.6681 18.6737 18.6737 19.9242 19.9242 20.7188 20.7188 20.8654 20.8654 21.5423 21.5423 23.9036 23.9036 k = 0.2019-0.1166 0.1649 ( 4725 PWs) bands (ev): -52.0867 -52.0867 -52.0581 -52.0581 -35.9634 -35.9634 -24.7368 -24.7368 -24.6501 -24.6501 -21.6114 -21.6114 -21.5595 -21.5595 -21.4945 -21.4945 -21.4499 -21.4499 -13.5212 -13.5212 -11.4300 -11.4300 -11.4193 -11.4193 11.2647 11.2647 13.8700 13.8700 14.7150 14.7150 15.3927 15.3927 15.4162 15.4162 15.4896 15.4896 16.2435 16.2435 17.5631 17.5631 17.6102 17.6102 18.4778 18.4778 18.6045 18.6045 18.6111 18.6111 19.9216 19.9216 20.7266 20.7266 20.7984 20.7984 21.5334 21.5334 23.8313 23.8313 k = 0.2115-0.1221 0.1727 ( 4717 PWs) bands (ev): -52.0863 -52.0863 -52.0585 -52.0585 -35.9636 -35.9636 -24.7360 -24.7360 -24.6510 -24.6510 -21.6126 -21.6126 -21.5563 -21.5563 -21.4974 -21.4974 -21.4492 -21.4492 -13.5208 -13.5208 -11.4303 -11.4303 -11.4188 -11.4188 11.3325 11.3325 13.8305 13.8305 14.7516 14.7516 15.4130 15.4130 15.4379 15.4379 15.5273 15.5273 16.1580 16.1580 17.6018 17.6018 17.6545 17.6545 18.4633 18.4633 18.5447 18.5447 18.5496 18.5496 19.9189 19.9189 20.7198 20.7198 20.7414 20.7414 21.5237 21.5237 23.7547 23.7547 k = 0.2212-0.1277 0.1806 ( 4705 PWs) bands (ev): -52.0859 -52.0859 -52.0588 -52.0588 -35.9638 -35.9638 -24.7351 -24.7351 -24.6519 -24.6519 -21.6138 -21.6138 -21.5530 -21.5530 -21.5004 -21.5004 -21.4484 -21.4484 -13.5203 -13.5203 -11.4307 -11.4307 -11.4183 -11.4183 11.4019 11.4019 13.7915 13.7915 14.7895 14.7895 15.4338 15.4338 15.4603 15.4603 15.5658 15.5658 16.0716 16.0716 17.6406 17.6406 17.7000 17.7000 18.4385 18.4385 18.4903 18.4903 18.4996 18.4996 19.9161 19.9161 20.6548 20.6548 20.7382 20.7382 21.5131 21.5131 23.6739 23.6739 k = 0.2308-0.1332 0.1884 ( 4705 PWs) bands (ev): -52.0855 -52.0855 -52.0592 -52.0592 -35.9640 -35.9640 -24.7343 -24.7343 -24.6529 -24.6529 -21.6150 -21.6150 -21.5497 -21.5497 -21.5034 -21.5034 -21.4477 -21.4477 -13.5198 -13.5198 -11.4311 -11.4311 -11.4178 -11.4178 11.4727 11.4727 13.7535 13.7535 14.8286 14.8286 15.4551 15.4551 15.4833 15.4833 15.6049 15.6049 15.9849 15.9849 17.6783 17.6783 17.7461 17.7461 18.3913 18.3913 18.4342 18.4342 18.4817 18.4817 19.9134 19.9134 20.5828 20.5828 20.7380 20.7380 21.5014 21.5014 23.5890 23.5890 k = 0.2404-0.1388 0.1963 ( 4705 PWs) bands (ev): -52.0851 -52.0851 -52.0595 -52.0595 -35.9642 -35.9642 -24.7334 -24.7334 -24.6539 -24.6539 -21.6162 -21.6162 -21.5464 -21.5464 -21.5064 -21.5064 -21.4470 -21.4470 -13.5194 -13.5194 -11.4315 -11.4315 -11.4173 -11.4173 11.5444 11.5444 13.7169 13.7169 14.8689 14.8689 15.4766 15.4766 15.5069 15.5069 15.6442 15.6442 15.8985 15.8985 17.7136 17.7136 17.7917 17.7917 18.3359 18.3359 18.3829 18.3829 18.4777 18.4777 19.9106 19.9106 20.5091 20.5091 20.7360 20.7360 21.4887 21.4887 23.5005 23.5005 k = 0.2500-0.1443 0.2041 ( 4729 PWs) bands (ev): -52.0847 -52.0847 -52.0599 -52.0599 -35.9644 -35.9644 -24.7326 -24.7326 -24.6549 -24.6549 -21.6174 -21.6174 -21.5431 -21.5431 -21.5095 -21.5095 -21.4463 -21.4463 -13.5189 -13.5189 -11.4319 -11.4319 -11.4169 -11.4169 11.6167 11.6167 13.6822 13.6822 14.9103 14.9103 15.4980 15.4980 15.5311 15.5311 15.6834 15.6834 15.8133 15.8133 17.7442 17.7442 17.8348 17.8348 18.2825 18.2825 18.3388 18.3388 18.4791 18.4791 19.9079 19.9079 20.4342 20.4342 20.7318 20.7318 21.4749 21.4749 23.4088 23.4088 k = 0.2596-0.1499 0.2120 ( 4696 PWs) bands (ev): -52.0843 -52.0843 -52.0603 -52.0603 -35.9646 -35.9646 -24.7317 -24.7317 -24.6558 -24.6558 -21.6186 -21.6186 -21.5397 -21.5397 -21.5125 -21.5125 -21.4455 -21.4455 -13.5184 -13.5184 -11.4323 -11.4323 -11.4164 -11.4164 11.6890 11.6890 13.6500 13.6500 14.9527 14.9527 15.5179 15.5179 15.5558 15.5558 15.7221 15.7221 15.7309 15.7309 17.7670 17.7670 17.8713 17.8713 18.2371 18.2371 18.3052 18.3052 18.4837 18.4837 19.9051 19.9051 20.3585 20.3585 20.7258 20.7258 21.4599 21.4599 23.3146 23.3146 k = 0.2692-0.1554 0.2198 ( 4696 PWs) bands (ev): -52.0839 -52.0839 -52.0606 -52.0606 -35.9648 -35.9648 -24.7308 -24.7308 -24.6568 -24.6568 -21.6198 -21.6198 -21.5364 -21.5364 -21.5155 -21.5155 -21.4448 -21.4448 -13.5180 -13.5180 -11.4326 -11.4326 -11.4159 -11.4159 11.7610 11.7610 13.6208 13.6208 14.9960 14.9960 15.5315 15.5315 15.5810 15.5810 15.6565 15.6565 15.7599 15.7599 17.7783 17.7783 17.8942 17.8942 18.2075 18.2075 18.2858 18.2858 18.4908 18.4908 19.9024 19.9024 20.2821 20.2821 20.7179 20.7179 21.4435 21.4435 23.2186 23.2186 k = 0.2788-0.1610 0.2277 ( 4700 PWs) bands (ev): -52.0836 -52.0836 -52.0610 -52.0610 -35.9650 -35.9650 -24.7300 -24.7300 -24.6577 -24.6577 -21.6210 -21.6210 -21.5331 -21.5331 -21.5185 -21.5185 -21.4440 -21.4440 -13.5175 -13.5175 -11.4330 -11.4330 -11.4154 -11.4154 11.8319 11.8319 13.5954 13.5954 15.0400 15.0400 15.5151 15.5151 15.6067 15.6067 15.6140 15.6140 15.7966 15.7966 17.7751 17.7751 17.8944 17.8944 18.2029 18.2029 18.2835 18.2835 18.5000 18.5000 19.8997 19.8997 20.2054 20.2054 20.7084 20.7084 21.4258 21.4258 23.1215 23.1215 k = 0.2885-0.1665 0.2355 ( 4700 PWs) bands (ev): -52.0832 -52.0832 -52.0613 -52.0613 -35.9652 -35.9652 -24.7292 -24.7292 -24.6587 -24.6587 -21.6221 -21.6221 -21.5298 -21.5298 -21.5214 -21.5214 -21.4433 -21.4433 -13.5171 -13.5171 -11.4334 -11.4334 -11.4149 -11.4149 11.9011 11.9011 13.5742 13.5742 15.0848 15.0848 15.4540 15.4540 15.6186 15.6186 15.6328 15.6328 15.8316 15.8316 17.7572 17.7572 17.8704 17.8704 18.2250 18.2250 18.2987 18.2987 18.5108 18.5108 19.8970 19.8970 20.1284 20.1284 20.6975 20.6975 21.4066 21.4066 23.0242 23.0242 k = 0.2981-0.1721 0.2434 ( 4700 PWs) bands (ev): -52.0828 -52.0828 -52.0617 -52.0617 -35.9654 -35.9654 -24.7284 -24.7284 -24.6596 -24.6596 -21.6233 -21.6233 -21.5266 -21.5266 -21.5243 -21.5243 -21.4426 -21.4426 -13.5166 -13.5166 -11.4337 -11.4337 -11.4144 -11.4144 11.9677 11.9677 13.5582 13.5582 15.1301 15.1301 15.3803 15.3803 15.6383 15.6383 15.6594 15.6594 15.8647 15.8647 17.7268 17.7268 17.8298 17.8298 18.2662 18.2662 18.3292 18.3292 18.5232 18.5232 19.8944 19.8944 20.0515 20.0515 20.6854 20.6854 21.3857 21.3857 22.9277 22.9277 k = 0.3077-0.1776 0.2512 ( 4692 PWs) bands (ev): -52.0824 -52.0824 -52.0620 -52.0620 -35.9656 -35.9656 -24.7276 -24.7276 -24.6605 -24.6605 -21.6245 -21.6245 -21.5271 -21.5271 -21.5234 -21.5234 -21.4418 -21.4418 -13.5162 -13.5162 -11.4340 -11.4340 -11.4140 -11.4140 12.0311 12.0311 13.5480 13.5480 15.1758 15.1758 15.3056 15.3056 15.6618 15.6618 15.6863 15.6863 15.8955 15.8955 17.6875 17.6875 17.7804 17.7804 18.3186 18.3186 18.3715 18.3715 18.5370 18.5370 19.8918 19.8918 19.9749 19.9749 20.6721 20.6721 21.3632 21.3632 22.8327 22.8327 k = 0.3173-0.1832 0.2591 ( 4696 PWs) bands (ev): -52.0821 -52.0821 -52.0624 -52.0624 -35.9658 -35.9658 -24.7268 -24.7268 -24.6614 -24.6614 -21.6256 -21.6256 -21.5299 -21.5299 -21.5203 -21.5203 -21.4411 -21.4411 -13.5157 -13.5157 -11.4344 -11.4344 -11.4135 -11.4135 12.0902 12.0902 13.5444 13.5444 15.2217 15.2217 15.2323 15.2323 15.6869 15.6869 15.7136 15.7136 15.9236 15.9236 17.6423 17.6423 17.7268 17.7268 18.3773 18.3773 18.4224 18.4224 18.5522 18.5522 19.8894 19.8894 19.8989 19.8989 20.6580 20.6580 21.3389 21.3389 22.7402 22.7402 k = 0.3269-0.1887 0.2669 ( 4696 PWs) bands (ev): -52.0817 -52.0817 -52.0627 -52.0627 -35.9660 -35.9660 -24.7261 -24.7261 -24.6623 -24.6623 -21.6266 -21.6266 -21.5326 -21.5326 -21.5172 -21.5172 -21.4405 -21.4405 -13.5153 -13.5153 -11.4347 -11.4347 -11.4131 -11.4131 12.1444 12.1444 13.5481 13.5481 15.1611 15.1611 15.2679 15.2679 15.7128 15.7128 15.7412 15.7412 15.9486 15.9486 17.5936 17.5936 17.6715 17.6715 18.4392 18.4392 18.4796 18.4796 18.5694 18.5694 19.8237 19.8237 19.8869 19.8869 20.6431 20.6431 21.3129 21.3129 22.6511 22.6511 k = 0.3365-0.1943 0.2748 ( 4700 PWs) bands (ev): -52.0814 -52.0814 -52.0630 -52.0630 -35.9662 -35.9662 -24.7254 -24.7254 -24.6632 -24.6632 -21.6277 -21.6277 -21.5352 -21.5352 -21.5142 -21.5142 -21.4399 -21.4399 -13.5149 -13.5149 -11.4350 -11.4350 -11.4127 -11.4127 12.1928 12.1928 13.5596 13.5596 15.0927 15.0927 15.3138 15.3138 15.7392 15.7392 15.7690 15.7690 15.9703 15.9703 17.5429 17.5429 17.6157 17.6157 18.5009 18.5009 18.5414 18.5414 18.5903 18.5903 19.7496 19.7496 19.8846 19.8846 20.6276 20.6276 21.2851 21.2851 22.5659 22.5659 k = 0.3462-0.1999 0.2826 ( 4708 PWs) bands (ev): -52.0810 -52.0810 -52.0633 -52.0633 -35.9664 -35.9664 -24.7247 -24.7247 -24.6641 -24.6641 -21.6287 -21.6287 -21.5378 -21.5378 -21.5114 -21.5114 -21.4393 -21.4393 -13.5145 -13.5145 -11.4353 -11.4353 -11.4123 -11.4123 12.2350 12.2350 13.5793 13.5793 15.0273 15.0273 15.3595 15.3595 15.7659 15.7659 15.7970 15.7970 15.9883 15.9883 17.4913 17.4913 17.5602 17.5602 18.5544 18.5544 18.6067 18.6067 18.6220 18.6220 19.6769 19.6769 19.8824 19.8824 20.6118 20.6118 21.2556 21.2556 22.4855 22.4855 k = 0.3558-0.2054 0.2905 ( 4700 PWs) bands (ev): -52.0807 -52.0807 -52.0636 -52.0636 -35.9665 -35.9665 -24.7240 -24.7240 -24.6649 -24.6649 -21.6296 -21.6296 -21.5402 -21.5402 -21.5086 -21.5086 -21.4387 -21.4387 -13.5141 -13.5141 -11.4356 -11.4356 -11.4119 -11.4119 12.2706 12.2706 13.6071 13.6071 14.9651 14.9651 15.4047 15.4047 15.7929 15.7929 15.8252 15.8252 16.0025 16.0025 17.4396 17.4396 17.5056 17.5056 18.5893 18.5893 18.6742 18.6742 18.6746 18.6746 19.6059 19.6059 19.8802 19.8802 20.5957 20.5957 21.2247 21.2247 22.4102 22.4102 k = 0.3654-0.2110 0.2983 ( 4692 PWs) bands (ev): -52.0804 -52.0804 -52.0639 -52.0639 -35.9667 -35.9667 -24.7233 -24.7233 -24.6656 -24.6656 -21.6305 -21.6305 -21.5425 -21.5425 -21.5059 -21.5059 -21.4381 -21.4381 -13.5138 -13.5138 -11.4358 -11.4358 -11.4115 -11.4115 12.2997 12.2997 13.6427 13.6427 14.9062 14.9062 15.4490 15.4490 15.8199 15.8199 15.8534 15.8534 16.0125 16.0125 17.3882 17.3882 17.4521 17.4521 18.6119 18.6119 18.7397 18.7397 18.7444 18.7444 19.5370 19.5370 19.8782 19.8782 20.5797 20.5797 21.1925 21.1925 22.3404 22.3404 k = 0.3750-0.2165 0.3062 ( 4696 PWs) bands (ev): -52.0801 -52.0801 -52.0641 -52.0641 -35.9668 -35.9668 -24.7228 -24.7228 -24.6664 -24.6664 -21.6314 -21.6314 -21.5446 -21.5446 -21.5034 -21.5034 -21.4376 -21.4376 -13.5134 -13.5134 -11.4361 -11.4361 -11.4112 -11.4112 12.3227 12.3227 13.6854 13.6854 14.8509 14.8509 15.4924 15.4924 15.8469 15.8469 15.8815 15.8815 16.0184 16.0184 17.3378 17.3378 17.4002 17.4002 18.6304 18.6304 18.8098 18.8098 18.8154 18.8154 19.4704 19.4704 19.8763 19.8763 20.5637 20.5637 21.1595 21.1595 22.2762 22.2762 k = 0.3846-0.2221 0.3140 ( 4704 PWs) bands (ev): -52.0798 -52.0798 -52.0644 -52.0644 -35.9670 -35.9670 -24.7222 -24.7222 -24.6671 -24.6671 -21.6322 -21.6322 -21.5467 -21.5467 -21.5011 -21.5011 -21.4371 -21.4371 -13.5131 -13.5131 -11.4363 -11.4363 -11.4108 -11.4108 12.3402 12.3402 13.7341 13.7341 14.7992 14.7992 15.5345 15.5345 15.8738 15.8738 15.9095 15.9095 16.0202 16.0202 17.2886 17.2886 17.3500 17.3500 18.6472 18.6472 18.8813 18.8813 18.8871 18.8871 19.4065 19.4065 19.8745 19.8745 20.5480 20.5480 21.1261 21.1261 22.2176 22.2176 k = 0.3942-0.2276 0.3219 ( 4704 PWs) bands (ev): -52.0796 -52.0796 -52.0646 -52.0646 -35.9671 -35.9671 -24.7217 -24.7217 -24.6677 -24.6677 -21.6330 -21.6330 -21.5486 -21.5486 -21.4989 -21.4989 -21.4366 -21.4366 -13.5128 -13.5128 -11.4365 -11.4365 -11.4105 -11.4105 12.3528 12.3528 13.7876 13.7876 14.7513 14.7513 15.5750 15.5750 15.9002 15.9002 15.9371 15.9371 16.0179 16.0179 17.2409 17.2409 17.3019 17.3019 18.6630 18.6630 18.9530 18.9530 18.9587 18.9587 19.3458 19.3458 19.8728 19.8728 20.5328 20.5328 21.0928 21.0928 22.1643 22.1643 k = 0.4038-0.2332 0.3297 ( 4712 PWs) bands (ev): -52.0793 -52.0793 -52.0648 -52.0648 -35.9672 -35.9672 -24.7212 -24.7212 -24.6683 -24.6683 -21.6337 -21.6337 -21.5504 -21.5504 -21.4969 -21.4969 -21.4362 -21.4362 -13.5125 -13.5125 -11.4367 -11.4367 -11.4102 -11.4102 12.3614 12.3614 13.8445 13.8445 14.7073 14.7073 15.6136 15.6136 15.9261 15.9261 15.9639 15.9639 16.0121 16.0121 17.1951 17.1951 17.2560 17.2560 18.6778 18.6778 19.0237 19.0237 19.0297 19.0297 19.2887 19.2887 19.8712 19.8712 20.5182 20.5182 21.0603 21.0603 22.1157 22.1157 k = 0.4135-0.2387 0.3376 ( 4712 PWs) bands (ev): -52.0791 -52.0791 -52.0650 -52.0650 -35.9674 -35.9674 -24.7208 -24.7208 -24.6689 -24.6689 -21.6343 -21.6343 -21.5520 -21.5520 -21.4950 -21.4950 -21.4358 -21.4358 -13.5123 -13.5123 -11.4369 -11.4369 -11.4100 -11.4100 12.3668 12.3668 13.9032 13.9032 14.6672 14.6672 15.6500 15.6500 15.9511 15.9511 15.9877 15.9877 16.0051 16.0051 17.1515 17.1515 17.2127 17.2127 18.6917 18.6917 19.0919 19.0919 19.0992 19.0992 19.2364 19.2364 19.8698 19.8698 20.5043 20.5043 21.0292 21.0292 22.0706 22.0706 k = 0.4231-0.2443 0.3454 ( 4704 PWs) bands (ev): -52.0789 -52.0789 -52.0652 -52.0652 -35.9675 -35.9675 -24.7204 -24.7204 -24.6693 -24.6693 -21.6349 -21.6349 -21.5534 -21.5534 -21.4933 -21.4933 -21.4354 -21.4354 -13.5120 -13.5120 -11.4371 -11.4371 -11.4097 -11.4097 12.3698 12.3698 13.9622 13.9622 14.6311 14.6311 15.6838 15.6838 15.9751 15.9751 15.9869 15.9869 16.0188 16.0188 17.1104 17.1104 17.1723 17.1723 18.7046 18.7046 19.1495 19.1495 19.1665 19.1665 19.1964 19.1964 19.8685 19.8685 20.4914 20.4914 20.9999 20.9999 22.0274 22.0274 k = 0.4327-0.2498 0.3533 ( 4712 PWs) bands (ev): -52.0788 -52.0788 -52.0654 -52.0654 -35.9676 -35.9676 -24.7200 -24.7200 -24.6698 -24.6698 -21.6354 -21.6354 -21.5547 -21.5547 -21.4918 -21.4918 -21.4352 -21.4352 -13.5118 -13.5118 -11.4372 -11.4372 -11.4095 -11.4095 12.3710 12.3710 14.0198 14.0198 14.5991 14.5991 15.7147 15.7147 15.9729 15.9729 15.9977 15.9977 16.0421 16.0421 17.0724 17.0724 17.1351 17.1351 18.7164 18.7164 19.1338 19.1338 19.2304 19.2304 19.2308 19.2308 19.8673 19.8673 20.4796 20.4796 20.9731 20.9731 21.9828 21.9828 k = 0.4423-0.2554 0.3611 ( 4740 PWs) bands (ev): -52.0786 -52.0786 -52.0655 -52.0655 -35.9676 -35.9676 -24.7198 -24.7198 -24.6703 -24.6703 -21.6360 -21.6360 -21.5560 -21.5560 -21.4905 -21.4905 -21.4349 -21.4349 -13.5117 -13.5117 -11.4373 -11.4373 -11.4093 -11.4093 12.3709 12.3709 14.0745 14.0745 14.5713 14.5713 15.7424 15.7424 15.9568 15.9568 16.0186 16.0186 16.0644 16.0644 17.0377 17.0377 17.1016 17.1016 18.7271 18.7271 19.0961 19.0961 19.2877 19.2877 19.2900 19.2900 19.8663 19.8663 20.4690 20.4690 20.9492 20.9492 21.9334 21.9334 k = 0.4519-0.2609 0.3690 ( 4740 PWs) bands (ev): -52.0785 -52.0785 -52.0656 -52.0656 -35.9677 -35.9677 -24.7196 -24.7196 -24.6706 -24.6706 -21.6363 -21.6363 -21.5569 -21.5569 -21.4894 -21.4894 -21.4347 -21.4347 -13.5115 -13.5115 -11.4374 -11.4374 -11.4092 -11.4092 12.3701 12.3701 14.1246 14.1246 14.5476 14.5476 15.7664 15.7664 15.9403 15.9403 16.0373 16.0373 16.0848 16.0848 17.0070 17.0070 17.0722 17.0722 18.7364 18.7364 19.0620 19.0620 19.3405 19.3405 19.3439 19.3439 19.8653 19.8653 20.4598 20.4598 20.9285 20.9285 21.8792 21.8792 k = 0.4615-0.2665 0.3768 ( 4748 PWs) bands (ev): -52.0784 -52.0784 -52.0657 -52.0657 -35.9678 -35.9678 -24.7194 -24.7194 -24.6709 -24.6709 -21.6367 -21.6367 -21.5577 -21.5577 -21.4885 -21.4885 -21.4345 -21.4345 -13.5114 -13.5114 -11.4375 -11.4375 -11.4090 -11.4090 12.3690 12.3690 14.1684 14.1684 14.5282 14.5282 15.7866 15.7866 15.9245 15.9245 16.0534 16.0534 16.1025 16.1025 16.9807 16.9807 17.0472 17.0472 18.7444 18.7444 19.0331 19.0331 19.3866 19.3866 19.3907 19.3907 19.8646 19.8646 20.4520 20.4520 20.9114 20.9114 21.8258 21.8258 k = 0.4712-0.2720 0.3847 ( 4732 PWs) bands (ev): -52.0783 -52.0783 -52.0658 -52.0658 -35.9678 -35.9678 -24.7191 -24.7191 -24.6711 -24.6711 -21.6369 -21.6369 -21.5583 -21.5583 -21.4877 -21.4877 -21.4343 -21.4343 -13.5113 -13.5113 -11.4376 -11.4376 -11.4089 -11.4089 12.3679 12.3679 14.2044 14.2044 14.5131 14.5131 15.8026 15.8026 15.9105 15.9105 16.0666 16.0666 16.1171 16.1171 16.9595 16.9595 17.0272 17.0272 18.7508 18.7508 19.0102 19.0102 19.4245 19.4245 19.4291 19.4291 19.8639 19.8639 20.4459 20.4459 20.8980 20.8980 21.7791 21.7791 k = 0.4808-0.2776 0.3925 ( 4728 PWs) bands (ev): -52.0782 -52.0782 -52.0659 -52.0659 -35.9678 -35.9678 -24.7190 -24.7190 -24.6712 -24.6712 -21.6370 -21.6370 -21.5588 -21.5588 -21.4871 -21.4871 -21.4342 -21.4342 -13.5112 -13.5112 -11.4376 -11.4376 -11.4089 -11.4089 12.3669 12.3669 14.2313 14.2313 14.5023 14.5023 15.8142 15.8142 15.8996 15.8996 16.0763 16.0763 16.1280 16.1280 16.9438 16.9438 17.0126 17.0126 18.7555 18.7555 18.9935 18.9935 19.4526 19.4526 19.4576 19.4576 19.8635 19.8635 20.4414 20.4414 20.8883 20.8883 21.7433 21.7433 k = 0.4904-0.2831 0.4004 ( 4720 PWs) bands (ev): -52.0782 -52.0782 -52.0659 -52.0659 -35.9679 -35.9679 -24.7189 -24.7189 -24.6713 -24.6713 -21.6371 -21.6371 -21.5590 -21.5590 -21.4868 -21.4868 -21.4341 -21.4341 -13.5112 -13.5112 -11.4377 -11.4377 -11.4088 -11.4088 12.3662 12.3662 14.2480 14.2480 14.4958 14.4958 15.8213 15.8213 15.8926 15.8926 16.0823 16.0823 16.1347 16.1347 16.9342 16.9342 17.0036 17.0036 18.7584 18.7584 18.9833 18.9833 19.4700 19.4700 19.4753 19.4753 19.8632 19.8632 20.4387 20.4387 20.8825 20.8825 21.7209 21.7209 k = 0.5000-0.2887 0.4082 ( 4720 PWs) bands (ev): -52.0782 -52.0782 -52.0659 -52.0659 -35.9679 -35.9679 -24.7189 -24.7189 -24.6713 -24.6713 -21.6372 -21.6372 -21.5591 -21.5591 -21.4867 -21.4867 -21.4341 -21.4341 -13.5112 -13.5112 -11.4377 -11.4377 -11.4088 -11.4088 12.3660 12.3660 14.2536 14.2536 14.4936 14.4936 15.8236 15.8236 15.8902 15.8902 16.0843 16.0843 16.1370 16.1370 16.9310 16.9310 17.0006 17.0006 18.7593 18.7593 18.9799 18.9799 19.4759 19.4759 19.4813 19.4813 19.8631 19.8631 20.4378 20.4378 20.8806 20.8806 21.7133 21.7133 k = 0.5000-0.2887 0.4082 ( 4720 PWs) bands (ev): -52.0782 -52.0782 -52.0659 -52.0659 -35.9679 -35.9679 -24.7189 -24.7189 -24.6713 -24.6713 -21.6372 -21.6372 -21.5591 -21.5591 -21.4867 -21.4867 -21.4341 -21.4341 -13.5112 -13.5112 -11.4377 -11.4377 -11.4088 -11.4088 12.3660 12.3660 14.2536 14.2536 14.4936 14.4936 15.8236 15.8236 15.8902 15.8902 16.0843 16.0843 16.1370 16.1370 16.9310 16.9310 17.0006 17.0006 18.7593 18.7593 18.9799 18.9799 19.4759 19.4759 19.4813 19.4813 19.8631 19.8631 20.4378 20.4378 20.8806 20.8806 21.7133 21.7133 k = 0.5000-0.2776 0.4161 ( 4720 PWs) bands (ev): -52.0782 -52.0782 -52.0659 -52.0659 -35.9679 -35.9679 -24.7189 -24.7189 -24.6714 -24.6714 -21.6371 -21.6371 -21.5591 -21.5591 -21.4867 -21.4867 -21.4342 -21.4342 -13.5112 -13.5112 -11.4377 -11.4377 -11.4088 -11.4088 12.3667 12.3667 14.2541 14.2541 14.4934 14.4934 15.8226 15.8226 15.8891 15.8891 16.0866 16.0866 16.1390 16.1390 16.9300 16.9300 16.9993 16.9993 18.7562 18.7562 18.9825 18.9825 19.4542 19.4542 19.4805 19.4805 19.8836 19.8836 20.4381 20.4381 20.8805 20.8805 21.7137 21.7137 k = 0.5000-0.2665 0.4240 ( 4728 PWs) bands (ev): -52.0781 -52.0781 -52.0659 -52.0659 -35.9679 -35.9679 -24.7187 -24.7187 -24.6715 -24.6715 -21.6368 -21.6368 -21.5593 -21.5593 -21.4866 -21.4866 -21.4345 -21.4345 -13.5111 -13.5111 -11.4376 -11.4376 -11.4089 -11.4089 12.3687 12.3687 14.2558 14.2558 14.4925 14.4925 15.8197 15.8197 15.8858 15.8858 16.0929 16.0929 16.1454 16.1454 16.9267 16.9267 16.9956 16.9956 18.7470 18.7470 18.9901 18.9901 19.3934 19.3934 19.4852 19.4852 19.9343 19.9343 20.4392 20.4392 20.8804 20.8804 21.7142 21.7142 k = 0.5000-0.2554 0.4318 ( 4730 PWs) bands (ev): -52.0781 -52.0781 -52.0660 -52.0660 -35.9679 -35.9679 -24.7185 -24.7185 -24.6717 -24.6717 -21.6364 -21.6364 -21.5594 -21.5594 -21.4865 -21.4865 -21.4349 -21.4349 -13.5111 -13.5111 -11.4375 -11.4375 -11.4090 -11.4090 12.3721 12.3721 14.2584 14.2584 14.4911 14.4911 15.8157 15.8157 15.8801 15.8801 16.1021 16.1021 16.1568 16.1568 16.9206 16.9206 16.9907 16.9907 18.7320 18.7320 19.0015 19.0015 19.3120 19.3120 19.4939 19.4939 19.9986 19.9986 20.4412 20.4412 20.8800 20.8800 21.7124 21.7124 k = 0.5000-0.2443 0.4397 ( 4734 PWs) bands (ev): -52.0780 -52.0780 -52.0661 -52.0661 -35.9679 -35.9679 -24.7182 -24.7182 -24.6720 -24.6720 -21.6358 -21.6358 -21.5597 -21.5597 -21.4864 -21.4864 -21.4355 -21.4355 -13.5111 -13.5111 -11.4374 -11.4374 -11.4091 -11.4091 12.3769 12.3769 14.2620 14.2620 14.4891 14.4891 15.8115 15.8115 15.8721 15.8721 16.1127 16.1127 16.1736 16.1736 16.9110 16.9110 16.9858 16.9858 18.7116 18.7116 19.0148 19.0148 19.2196 19.2196 19.5077 19.5077 20.0670 20.0670 20.4443 20.4443 20.8796 20.8796 21.7062 21.7062 k = 0.5000-0.2332 0.4475 ( 4734 PWs) bands (ev): -52.0779 -52.0779 -52.0662 -52.0662 -35.9679 -35.9679 -24.7178 -24.7178 -24.6724 -24.6724 -21.6349 -21.6349 -21.5600 -21.5600 -21.4862 -21.4862 -21.4363 -21.4363 -13.5111 -13.5111 -11.4372 -11.4372 -11.4093 -11.4093 12.3828 12.3828 14.2665 14.2665 14.4867 14.4867 15.8079 15.8079 15.8617 15.8617 16.1239 16.1239 16.1957 16.1957 16.8977 16.8977 16.9818 16.9818 18.6862 18.6862 19.0275 19.0275 19.1211 19.1211 19.5279 19.5279 20.1349 20.1349 20.4489 20.4489 20.8789 20.8789 21.6949 21.6949 k = 0.5000-0.2221 0.4554 ( 4726 PWs) bands (ev): -52.0778 -52.0778 -52.0663 -52.0663 -35.9679 -35.9679 -24.7173 -24.7173 -24.6728 -24.6728 -21.6339 -21.6339 -21.5604 -21.5604 -21.4860 -21.4860 -21.4372 -21.4372 -13.5111 -13.5111 -11.4370 -11.4370 -11.4095 -11.4095 12.3900 12.3900 14.2717 14.2717 14.4838 14.4838 15.8052 15.8052 15.8493 15.8493 16.1358 16.1358 16.2223 16.2223 16.8813 16.8813 16.9790 16.9790 18.6564 18.6564 19.0119 19.0119 19.0445 19.0445 19.5558 19.5558 20.1998 20.1998 20.4556 20.4556 20.8781 20.8781 21.6790 21.6790 k = 0.5000-0.2110 0.4632 ( 4728 PWs) bands (ev): -52.0776 -52.0776 -52.0664 -52.0664 -35.9679 -35.9679 -24.7168 -24.7168 -24.6733 -24.6733 -21.6328 -21.6328 -21.5608 -21.5608 -21.4857 -21.4857 -21.4382 -21.4382 -13.5111 -13.5111 -11.4367 -11.4367 -11.4098 -11.4098 12.3984 12.3984 14.2775 14.2775 14.4805 14.4805 15.8026 15.8026 15.8362 15.8362 16.1485 16.1485 16.2526 16.2526 16.8630 16.8630 16.9770 16.9770 18.6227 18.6227 18.9086 18.9086 19.0490 19.0490 19.5921 19.5921 20.2594 20.2594 20.4658 20.4658 20.8770 20.8770 21.6592 21.6592 k = 0.5000-0.1999 0.4711 ( 4720 PWs) bands (ev): -52.0775 -52.0775 -52.0666 -52.0666 -35.9679 -35.9679 -24.7162 -24.7162 -24.6738 -24.6738 -21.6315 -21.6315 -21.5613 -21.5613 -21.4854 -21.4854 -21.4393 -21.4393 -13.5110 -13.5110 -11.4364 -11.4364 -11.4100 -11.4100 12.4077 12.4077 14.2838 14.2838 14.4769 14.4769 15.7958 15.7958 15.8276 15.8276 16.1621 16.1621 16.2858 16.2858 16.8438 16.8438 16.9753 16.9753 18.5855 18.5855 18.8003 18.8003 19.0518 19.0518 19.6372 19.6372 20.3112 20.3112 20.4813 20.4813 20.8757 20.8757 21.6358 21.6358 k = 0.5000-0.1887 0.4789 ( 4712 PWs) bands (ev): -52.0773 -52.0773 -52.0668 -52.0668 -35.9679 -35.9679 -24.7155 -24.7155 -24.6745 -24.6745 -21.6301 -21.6301 -21.5619 -21.5619 -21.4850 -21.4850 -21.4406 -21.4406 -13.5110 -13.5110 -11.4361 -11.4361 -11.4104 -11.4104 12.4180 12.4180 14.2904 14.2904 14.4729 14.4729 15.7797 15.7797 15.8289 15.8289 16.1768 16.1768 16.3213 16.3213 16.8249 16.8249 16.9736 16.9736 18.5454 18.5454 18.6903 18.6903 19.0502 19.0502 19.6905 19.6905 20.3528 20.3528 20.5045 20.5045 20.8741 20.8741 21.6095 21.6095 k = 0.5000-0.1776 0.4868 ( 4716 PWs) bands (ev): -52.0771 -52.0771 -52.0670 -52.0670 -35.9679 -35.9679 -24.7147 -24.7147 -24.6752 -24.6752 -21.6285 -21.6285 -21.5625 -21.5625 -21.4846 -21.4846 -21.4421 -21.4421 -13.5110 -13.5110 -11.4358 -11.4358 -11.4107 -11.4107 12.4291 12.4291 14.2971 14.2971 14.4688 14.4688 15.7572 15.7572 15.8377 15.8377 16.1926 16.1926 16.3586 16.3586 16.8070 16.8070 16.9713 16.9713 18.5025 18.5025 18.5800 18.5800 19.0443 19.0443 19.7512 19.7512 20.3833 20.3833 20.5362 20.5362 20.8721 20.8721 21.5806 21.5806 k = 0.5000-0.1665 0.4946 ( 4704 PWs) bands (ev): -52.0769 -52.0769 -52.0672 -52.0672 -35.9679 -35.9679 -24.7138 -24.7138 -24.6760 -24.6760 -21.6268 -21.6268 -21.5632 -21.5632 -21.4842 -21.4842 -21.4435 -21.4435 -13.5109 -13.5109 -11.4354 -11.4354 -11.4111 -11.4111 12.4409 12.4409 14.3038 14.3038 14.4646 14.4646 15.7312 15.7312 15.8517 15.8517 16.2094 16.2094 16.3974 16.3974 16.7906 16.7906 16.9682 16.9682 18.4518 18.4518 18.4754 18.4754 19.0347 19.0347 19.8180 19.8180 20.4050 20.4050 20.5742 20.5742 20.8697 20.8697 21.5494 21.5494 k = 0.5000-0.1554 0.5025 ( 4706 PWs) bands (ev): -52.0766 -52.0766 -52.0675 -52.0675 -35.9679 -35.9679 -24.7130 -24.7130 -24.6768 -24.6768 -21.6250 -21.6250 -21.5640 -21.5640 -21.4837 -21.4837 -21.4452 -21.4452 -13.5109 -13.5109 -11.4350 -11.4350 -11.4114 -11.4114 12.4532 12.4532 14.3104 14.3104 14.4602 14.4602 15.7029 15.7029 15.8704 15.8704 16.2270 16.2270 16.4373 16.4373 16.7762 16.7762 16.9639 16.9639 18.3531 18.3531 18.4179 18.4179 19.0221 19.0221 19.8899 19.8899 20.4215 20.4215 20.6149 20.6149 20.8668 20.8668 21.5164 21.5164 k = 0.5000-0.1443 0.5103 ( 4698 PWs) bands (ev): -52.0764 -52.0764 -52.0677 -52.0677 -35.9679 -35.9679 -24.7120 -24.7120 -24.6777 -24.6777 -21.6231 -21.6231 -21.5649 -21.5649 -21.4831 -21.4831 -21.4469 -21.4469 -13.5109 -13.5109 -11.4346 -11.4346 -11.4119 -11.4119 12.4660 12.4660 14.3167 14.3167 14.4559 14.4559 15.6729 15.6729 15.8937 15.8937 16.2454 16.2454 16.4781 16.4781 16.7639 16.7639 16.9581 16.9581 18.2433 18.2433 18.3716 18.3716 19.0074 19.0074 19.9657 19.9657 20.4357 20.4357 20.6558 20.6558 20.8635 20.8635 21.4818 21.4818 k = 0.5000-0.1332 0.5182 ( 4702 PWs) bands (ev): -52.0761 -52.0761 -52.0680 -52.0680 -35.9679 -35.9679 -24.7110 -24.7110 -24.6787 -24.6787 -21.6211 -21.6211 -21.5659 -21.5659 -21.4825 -21.4825 -21.4486 -21.4486 -13.5108 -13.5108 -11.4342 -11.4342 -11.4123 -11.4123 12.4789 12.4789 14.3226 14.3226 14.4516 14.4516 15.6419 15.6419 15.9215 15.9215 16.2643 16.2643 16.5196 16.5196 16.7536 16.7536 16.9504 16.9504 18.1338 18.1338 18.3262 18.3262 18.9912 18.9912 20.0444 20.0444 20.4493 20.4493 20.6952 20.6952 20.8596 20.8596 21.4460 21.4460 k = 0.5000-0.1221 0.5260 ( 4704 PWs) bands (ev): -52.0758 -52.0758 -52.0683 -52.0683 -35.9679 -35.9679 -24.7099 -24.7099 -24.6798 -24.6798 -21.6190 -21.6190 -21.5669 -21.5669 -21.4819 -21.4819 -21.4505 -21.4505 -13.5108 -13.5108 -11.4337 -11.4337 -11.4127 -11.4127 12.4918 12.4918 14.3280 14.3280 14.4475 14.4475 15.6105 15.6105 15.9539 15.9539 16.2836 16.2836 16.5614 16.5614 16.7455 16.7455 16.9406 16.9406 18.0258 18.0258 18.2816 18.2816 18.9741 18.9741 20.1250 20.1250 20.4631 20.4631 20.7324 20.7324 20.8553 20.8553 21.4093 21.4093 k = 0.5000-0.1110 0.5339 ( 4702 PWs) bands (ev): -52.0755 -52.0755 -52.0686 -52.0686 -35.9679 -35.9679 -24.7088 -24.7088 -24.6808 -24.6808 -21.6169 -21.6169 -21.5680 -21.5680 -21.4812 -21.4812 -21.4523 -21.4523 -13.5108 -13.5108 -11.4333 -11.4333 -11.4131 -11.4131 12.5045 12.5045 14.3328 14.3328 14.4436 14.4436 15.5793 15.5793 15.9907 15.9907 16.3029 16.3029 16.6034 16.6034 16.7392 16.7392 16.9284 16.9284 17.9198 17.9198 18.2383 18.2383 18.9567 18.9567 20.2067 20.2067 20.4778 20.4778 20.7666 20.7666 20.8511 20.8511 21.3723 21.3723 k = 0.5000-0.0999 0.5417 ( 4714 PWs) bands (ev): -52.0752 -52.0752 -52.0689 -52.0689 -35.9679 -35.9679 -24.7077 -24.7077 -24.6820 -24.6820 -21.6148 -21.6148 -21.5692 -21.5692 -21.4804 -21.4804 -21.4542 -21.4542 -13.5107 -13.5107 -11.4328 -11.4328 -11.4136 -11.4136 12.5169 12.5169 14.3371 14.3371 14.4399 14.4399 15.5489 15.5489 16.0317 16.0317 16.3221 16.3221 16.6450 16.6450 16.7346 16.7346 16.9137 16.9137 17.8164 17.8164 18.1969 18.1969 18.9395 18.9395 20.2884 20.2884 20.4940 20.4940 20.7957 20.7957 20.8489 20.8489 21.3351 21.3351 k = 0.5000-0.0888 0.5496 ( 4710 PWs) bands (ev): -52.0749 -52.0749 -52.0692 -52.0692 -35.9679 -35.9679 -24.7065 -24.7065 -24.6831 -24.6831 -21.6126 -21.6126 -21.5704 -21.5704 -21.4796 -21.4796 -21.4561 -21.4561 -13.5107 -13.5107 -11.4324 -11.4324 -11.4140 -11.4140 12.5287 12.5287 14.3408 14.3408 14.4366 14.4366 15.5200 15.5200 16.0767 16.0767 16.3408 16.3408 16.6852 16.6852 16.7319 16.7319 16.8967 16.8967 17.7164 17.7164 18.1578 18.1578 18.9230 18.9230 20.3688 20.3688 20.5127 20.5127 20.8125 20.8125 20.8560 20.8560 21.2983 21.2983 k = 0.5000-0.0777 0.5574 ( 4702 PWs) bands (ev): -52.0746 -52.0746 -52.0695 -52.0695 -35.9679 -35.9679 -24.7052 -24.7052 -24.6842 -24.6842 -21.6105 -21.6105 -21.5717 -21.5717 -21.4786 -21.4786 -21.4579 -21.4579 -13.5107 -13.5107 -11.4320 -11.4320 -11.4144 -11.4144 12.5397 12.5397 14.3439 14.3439 14.4336 14.4336 15.4930 15.4930 16.1254 16.1254 16.3587 16.3587 16.7179 16.7179 16.7351 16.7351 16.8786 16.8786 17.6202 17.6202 18.1217 18.1217 18.9074 18.9074 20.4442 20.4442 20.5365 20.5365 20.8130 20.8130 20.8768 20.8768 21.2621 21.2621 k = 0.5000-0.0666 0.5653 ( 4702 PWs) bands (ev): -52.0742 -52.0742 -52.0699 -52.0699 -35.9679 -35.9679 -24.7040 -24.7040 -24.6854 -24.6854 -21.6084 -21.6084 -21.5729 -21.5729 -21.4777 -21.4777 -21.4598 -21.4598 -13.5107 -13.5107 -11.4316 -11.4316 -11.4148 -11.4148 12.5497 12.5497 14.3464 14.3464 14.4310 14.4310 15.4685 15.4685 16.1772 16.1772 16.3756 16.3756 16.7235 16.7235 16.7579 16.7579 16.8648 16.8648 17.5287 17.5287 18.0890 18.0890 18.8932 18.8932 20.5039 20.5039 20.5753 20.5753 20.8068 20.8068 20.9023 20.9023 21.2268 21.2268 k = 0.5000-0.0555 0.5731 ( 4702 PWs) bands (ev): -52.0739 -52.0739 -52.0702 -52.0702 -35.9679 -35.9679 -24.7029 -24.7029 -24.6866 -24.6866 -21.6065 -21.6065 -21.5742 -21.5742 -21.4766 -21.4766 -21.4616 -21.4616 -13.5106 -13.5106 -11.4312 -11.4312 -11.4152 -11.4152 12.5586 12.5586 14.3485 14.3485 14.4287 14.4287 15.4470 15.4470 16.2315 16.2315 16.3914 16.3914 16.7220 16.7220 16.7652 16.7652 16.8699 16.8699 17.4424 17.4424 18.0603 18.0603 18.8807 18.8807 20.5393 20.5393 20.6356 20.6356 20.7999 20.7999 20.9283 20.9283 21.1926 21.1926 k = 0.5000-0.0444 0.5810 ( 4706 PWs) bands (ev): -52.0735 -52.0735 -52.0706 -52.0706 -35.9679 -35.9679 -24.7018 -24.7018 -24.6877 -24.6877 -21.6048 -21.6048 -21.5753 -21.5753 -21.4755 -21.4755 -21.4633 -21.4633 -13.5106 -13.5106 -11.4309 -11.4309 -11.4155 -11.4155 12.5661 12.5661 14.3500 14.3500 14.4269 14.4269 15.4288 15.4288 16.2867 16.2867 16.4064 16.4064 16.7158 16.7158 16.7494 16.7494 16.8987 16.8987 17.3620 17.3620 18.0360 18.0360 18.8701 18.8701 20.5632 20.5632 20.6979 20.6979 20.7994 20.7994 20.9540 20.9540 21.1594 21.1594 k = 0.5000-0.0333 0.5888 ( 4710 PWs) bands (ev): -52.0732 -52.0732 -52.0709 -52.0709 -35.9679 -35.9679 -24.7007 -24.7007 -24.6887 -24.6887 -21.6033 -21.6033 -21.5764 -21.5764 -21.4744 -21.4744 -21.4650 -21.4650 -13.5106 -13.5106 -11.4306 -11.4306 -11.4157 -11.4157 12.5721 12.5721 14.3511 14.3511 14.4255 14.4255 15.4143 15.4143 16.3396 16.3396 16.4226 16.4226 16.6926 16.6926 16.7356 16.7356 16.9386 16.9386 17.2880 17.2880 18.0167 18.0167 18.8616 18.8616 20.5829 20.5829 20.7329 20.7329 20.8268 20.8268 20.9794 20.9794 21.1272 21.1272 k = 0.5000-0.0222 0.5967 ( 4718 PWs) bands (ev): -52.0728 -52.0728 -52.0713 -52.0713 -35.9679 -35.9679 -24.6998 -24.6998 -24.6896 -24.6896 -21.6022 -21.6022 -21.5772 -21.5772 -21.4732 -21.4732 -21.4666 -21.4666 -13.5106 -13.5106 -11.4304 -11.4304 -11.4159 -11.4159 12.5764 12.5764 14.3519 14.3519 14.4245 14.4245 15.4037 15.4037 16.3812 16.3812 16.4478 16.4478 16.6517 16.6517 16.7318 16.7318 16.9828 16.9828 17.2209 17.2209 18.0025 18.0025 18.8554 18.8554 20.5993 20.5993 20.7354 20.7354 20.8853 20.8853 21.0048 21.0048 21.0948 21.0948 k = 0.5000-0.0111 0.6045 ( 4712 PWs) bands (ev): -52.0724 -52.0724 -52.0717 -52.0717 -35.9679 -35.9679 -24.6992 -24.6992 -24.6902 -24.6902 -21.6014 -21.6014 -21.5778 -21.5778 -21.4721 -21.4721 -21.4679 -21.4679 -13.5106 -13.5106 -11.4303 -11.4303 -11.4161 -11.4161 12.5791 12.5791 14.3524 14.3524 14.4239 14.4239 15.3973 15.3973 16.4009 16.4009 16.4897 16.4897 16.6042 16.6042 16.7308 16.7308 17.0273 17.0273 17.1629 17.1629 17.9939 17.9939 18.8516 18.8516 20.6109 20.6109 20.7305 20.7305 20.9488 20.9488 21.0293 21.0293 21.0598 21.0598 k = 0.5000-0.0000 0.6124 ( 4712 PWs) bands (ev): -52.0721 -52.0721 -52.0720 -52.0720 -35.9679 -35.9679 -24.6990 -24.6990 -24.6904 -24.6904 -21.6012 -21.6012 -21.5780 -21.5780 -21.4715 -21.4715 -21.4686 -21.4686 -13.5106 -13.5106 -11.4303 -11.4303 -11.4161 -11.4161 12.5800 12.5800 14.3525 14.3525 14.4237 14.4237 15.3952 15.3952 16.4058 16.4058 16.5251 16.5251 16.5684 16.5684 16.7305 16.7305 17.0549 17.0549 17.1309 17.1309 17.9911 17.9911 18.8504 18.8504 20.6152 20.6152 20.7280 20.7280 20.9933 20.9933 21.0277 21.0277 21.0437 21.0437 k = 0.5000-0.0000 0.6124 ( 4712 PWs) bands (ev): -52.0721 -52.0721 -52.0720 -52.0720 -35.9679 -35.9679 -24.6990 -24.6990 -24.6904 -24.6904 -21.6012 -21.6012 -21.5780 -21.5780 -21.4715 -21.4715 -21.4686 -21.4686 -13.5106 -13.5106 -11.4303 -11.4303 -11.4161 -11.4161 12.5800 12.5800 14.3525 14.3525 14.4237 14.4237 15.3952 15.3952 16.4058 16.4058 16.5251 16.5251 16.5684 16.5684 16.7305 16.7305 17.0549 17.0549 17.1309 17.1309 17.9911 17.9911 18.8504 18.8504 20.6152 20.6152 20.7280 20.7280 20.9933 20.9933 21.0277 21.0277 21.0437 21.0437 k = 0.4934 0.0114 0.6124 ( 4712 PWs) bands (ev): -52.0723 -52.0723 -52.0718 -52.0718 -35.9679 -35.9679 -24.6991 -24.6991 -24.6903 -24.6903 -21.6013 -21.6013 -21.5778 -21.5778 -21.4718 -21.4718 -21.4683 -21.4683 -13.5106 -13.5106 -11.4303 -11.4303 -11.4161 -11.4161 12.5796 12.5796 14.3528 14.3528 14.4241 14.4241 15.3960 15.3960 16.4016 16.4016 16.5056 16.5056 16.5848 16.5848 16.7307 16.7307 17.0407 17.0407 17.1517 17.1517 17.9915 17.9915 18.8483 18.8483 20.6108 20.6108 20.7278 20.7278 20.9522 20.9522 21.0386 21.0386 21.0645 21.0645 k = 0.4868 0.0228 0.6124 ( 4712 PWs) bands (ev): -52.0725 -52.0725 -52.0716 -52.0716 -35.9678 -35.9678 -24.6994 -24.6994 -24.6900 -24.6900 -21.6015 -21.6015 -21.5775 -21.5775 -21.4725 -21.4725 -21.4676 -21.4676 -13.5106 -13.5106 -11.4304 -11.4304 -11.4160 -11.4160 12.5785 12.5785 14.3539 14.3539 14.4251 14.4251 15.3987 15.3987 16.3846 16.3846 16.4826 16.4826 16.5945 16.5945 16.7420 16.7420 17.0132 17.0132 17.1965 17.1965 17.9926 17.9926 18.8420 18.8420 20.5972 20.5972 20.7286 20.7286 20.8854 20.8854 21.0633 21.0633 21.0965 21.0965 k = 0.4803 0.0342 0.6124 ( 4710 PWs) bands (ev): -52.0728 -52.0728 -52.0713 -52.0713 -35.9678 -35.9678 -24.6998 -24.6998 -24.6896 -24.6896 -21.6019 -21.6019 -21.5771 -21.5771 -21.4733 -21.4733 -21.4669 -21.4669 -13.5106 -13.5106 -11.4305 -11.4305 -11.4159 -11.4159 12.5768 12.5768 14.3559 14.3559 14.4268 14.4268 15.4032 15.4032 16.3515 16.3515 16.4716 16.4716 16.5809 16.5809 16.7722 16.7722 16.9849 16.9849 17.2498 17.2498 17.9939 17.9939 18.8313 18.8313 20.5754 20.5754 20.7274 20.7274 20.8229 20.8229 21.0928 21.0928 21.1323 21.1323 k = 0.4737 0.0456 0.6124 ( 4702 PWs) bands (ev): -52.0730 -52.0730 -52.0711 -52.0711 -35.9678 -35.9678 -24.7002 -24.7002 -24.6891 -24.6891 -21.6024 -21.6024 -21.5765 -21.5765 -21.4741 -21.4741 -21.4661 -21.4661 -13.5106 -13.5106 -11.4306 -11.4306 -11.4158 -11.4158 12.5744 12.5744 14.3589 14.3589 14.4293 14.4293 15.4097 15.4097 16.3078 16.3078 16.4692 16.4692 16.5514 16.5514 16.8135 16.8135 16.9594 16.9594 17.3069 17.3069 17.9952 17.9952 18.8162 18.8162 20.5461 20.5461 20.7100 20.7100 20.7826 20.7826 21.1261 21.1261 21.1726 21.1726 k = 0.4671 0.0570 0.6124 ( 4698 PWs) bands (ev): -52.0732 -52.0732 -52.0709 -52.0709 -35.9678 -35.9678 -24.7008 -24.7008 -24.6886 -24.6886 -21.6029 -21.6029 -21.5758 -21.5758 -21.4749 -21.4749 -21.4654 -21.4654 -13.5107 -13.5107 -11.4307 -11.4307 -11.4157 -11.4157 12.5715 12.5715 14.3628 14.3628 14.4327 14.4327 15.4181 15.4181 16.2590 16.2590 16.4701 16.4701 16.5144 16.5144 16.8540 16.8540 16.9420 16.9420 17.3656 17.3656 17.9964 17.9964 18.7968 18.7968 20.5093 20.5093 20.6687 20.6687 20.7742 20.7742 21.1628 21.1628 21.2180 21.2180 k = 0.4605 0.0684 0.6124 ( 4704 PWs) bands (ev): -52.0734 -52.0734 -52.0707 -52.0707 -35.9678 -35.9678 -24.7013 -24.7013 -24.6880 -24.6880 -21.6035 -21.6035 -21.5751 -21.5751 -21.4756 -21.4756 -21.4648 -21.4648 -13.5107 -13.5107 -11.4309 -11.4309 -11.4155 -11.4155 12.5681 12.5681 14.3675 14.3675 14.4369 14.4369 15.4286 15.4286 16.2083 16.2083 16.4606 16.4606 16.4853 16.4853 16.8717 16.8717 16.9514 16.9514 17.4249 17.4249 17.9972 17.9972 18.7733 18.7733 20.4645 20.4645 20.6254 20.6254 20.7772 20.7772 21.2027 21.2027 21.2680 21.2680 k = 0.4539 0.0798 0.6124 ( 4698 PWs) bands (ev): -52.0736 -52.0736 -52.0706 -52.0706 -35.9678 -35.9678 -24.7018 -24.7018 -24.6875 -24.6875 -21.6042 -21.6042 -21.5743 -21.5743 -21.4764 -21.4764 -21.4642 -21.4642 -13.5107 -13.5107 -11.4311 -11.4311 -11.4154 -11.4154 12.5644 12.5644 14.3728 14.3728 14.4420 14.4420 15.4412 15.4412 16.1571 16.1571 16.4196 16.4196 16.4861 16.4861 16.8606 16.8606 16.9920 16.9920 17.4842 17.4842 17.9976 17.9976 18.7460 18.7460 20.4131 20.4131 20.5888 20.5888 20.7824 20.7824 21.2455 21.2455 21.3218 21.3218 k = 0.4474 0.0912 0.6124 ( 4694 PWs) bands (ev): -52.0737 -52.0737 -52.0704 -52.0704 -35.9678 -35.9678 -24.7024 -24.7024 -24.6869 -24.6869 -21.6048 -21.6048 -21.5735 -21.5735 -21.4770 -21.4770 -21.4636 -21.4636 -13.5108 -13.5108 -11.4312 -11.4312 -11.4152 -11.4152 12.5605 12.5605 14.3786 14.3786 14.4480 14.4480 15.4560 15.4560 16.1065 16.1065 16.3723 16.3723 16.4925 16.4925 16.8418 16.8418 17.0414 17.0414 17.5430 17.5430 17.9976 17.9976 18.7150 18.7150 20.3578 20.3578 20.5590 20.5590 20.7877 20.7877 21.2911 21.2911 21.3783 21.3783 k = 0.4408 0.1026 0.6124 ( 4693 PWs) bands (ev): -52.0739 -52.0739 -52.0702 -52.0702 -35.9678 -35.9678 -24.7028 -24.7028 -24.6864 -24.6864 -21.6054 -21.6054 -21.5728 -21.5728 -21.4776 -21.4776 -21.4631 -21.4631 -13.5108 -13.5108 -11.4314 -11.4314 -11.4150 -11.4150 12.5564 12.5564 14.3845 14.3845 14.4548 14.4548 15.4731 15.4731 16.0574 16.0574 16.3232 16.3232 16.5003 16.5003 16.8218 16.8218 17.0920 17.0920 17.6012 17.6012 17.9973 17.9973 18.6808 18.6808 20.3016 20.3016 20.5342 20.5342 20.7927 20.7927 21.3391 21.3391 21.4361 21.4361 k = 0.4342 0.1140 0.6124 ( 4695 PWs) bands (ev): -52.0740 -52.0740 -52.0701 -52.0701 -35.9678 -35.9678 -24.7033 -24.7033 -24.6859 -24.6859 -21.6060 -21.6060 -21.5720 -21.5720 -21.4782 -21.4782 -21.4627 -21.4627 -13.5108 -13.5108 -11.4316 -11.4316 -11.4149 -11.4149 12.5523 12.5523 14.3905 14.3905 14.4623 14.4623 15.4924 15.4924 16.0105 16.0105 16.2734 16.2734 16.5090 16.5090 16.8020 16.8020 17.1417 17.1417 17.6585 17.6585 17.9966 17.9966 18.6437 18.6437 20.2466 20.2466 20.5131 20.5131 20.7970 20.7970 21.3890 21.3890 21.4940 21.4940 k = 0.4276 0.1253 0.6124 ( 4703 PWs) bands (ev): -52.0741 -52.0741 -52.0700 -52.0700 -35.9678 -35.9678 -24.7038 -24.7038 -24.6855 -24.6855 -21.6065 -21.6065 -21.5714 -21.5714 -21.4788 -21.4788 -21.4623 -21.4623 -13.5109 -13.5109 -11.4318 -11.4318 -11.4147 -11.4147 12.5483 12.5483 14.3962 14.3962 14.4704 14.4704 15.5139 15.5139 15.9664 15.9664 16.2234 16.2234 16.5185 16.5185 16.7827 16.7827 17.1893 17.1893 17.7148 17.7148 17.9957 17.9957 18.6041 18.6041 20.1945 20.1945 20.4951 20.4951 20.8006 20.8006 21.4402 21.4402 21.5505 21.5505 k = 0.4211 0.1367 0.6124 ( 4705 PWs) bands (ev): -52.0742 -52.0742 -52.0699 -52.0699 -35.9677 -35.9677 -24.7042 -24.7042 -24.6851 -24.6851 -21.6070 -21.6070 -21.5707 -21.5707 -21.4792 -21.4792 -21.4620 -21.4620 -13.5109 -13.5109 -11.4319 -11.4319 -11.4145 -11.4145 12.5445 12.5445 14.4015 14.4015 14.4787 14.4787 15.5375 15.5375 15.9257 15.9257 16.1739 16.1739 16.5286 16.5286 16.7642 16.7642 17.2339 17.2339 17.7701 17.7701 17.9947 17.9947 18.5623 18.5623 20.1463 20.1463 20.4796 20.4796 20.8037 20.8037 21.4919 21.4919 21.6039 21.6039 k = 0.4145 0.1481 0.6124 ( 4707 PWs) bands (ev): -52.0743 -52.0743 -52.0698 -52.0698 -35.9677 -35.9677 -24.7045 -24.7045 -24.6848 -24.6848 -21.6075 -21.6075 -21.5702 -21.5702 -21.4796 -21.4796 -21.4617 -21.4617 -13.5109 -13.5109 -11.4321 -11.4321 -11.4144 -11.4144 12.5410 12.5410 14.4063 14.4063 14.4870 14.4870 15.5631 15.5631 15.8890 15.8890 16.1253 16.1253 16.5392 16.5392 16.7465 16.7465 17.2746 17.2746 17.8242 17.8242 17.9936 17.9936 18.5190 18.5190 20.1028 20.1028 20.4664 20.4664 20.8062 20.8062 21.5432 21.5432 21.6526 21.6526 k = 0.4079 0.1595 0.6124 ( 4707 PWs) bands (ev): -52.0744 -52.0744 -52.0697 -52.0697 -35.9677 -35.9677 -24.7048 -24.7048 -24.6845 -24.6845 -21.6079 -21.6079 -21.5697 -21.5697 -21.4800 -21.4800 -21.4615 -21.4615 -13.5110 -13.5110 -11.4322 -11.4322 -11.4143 -11.4143 12.5378 12.5378 14.4105 14.4105 14.4949 14.4949 15.5901 15.5901 15.8568 15.8568 16.0783 16.0783 16.5500 16.5500 16.7297 16.7297 17.3106 17.3106 17.8766 17.8766 17.9927 17.9927 18.4747 18.4747 20.0647 20.0647 20.4553 20.4553 20.8082 20.8082 21.5929 21.5929 21.6943 21.6943 k = 0.4013 0.1709 0.6124 ( 4707 PWs) bands (ev): -52.0745 -52.0745 -52.0696 -52.0696 -35.9677 -35.9677 -24.7050 -24.7050 -24.6842 -24.6842 -21.6082 -21.6082 -21.5693 -21.5693 -21.4802 -21.4802 -21.4613 -21.4613 -13.5110 -13.5110 -11.4323 -11.4323 -11.4142 -11.4142 12.5352 12.5352 14.4140 14.4140 14.5020 14.5020 15.6181 15.6181 15.8295 15.8295 16.0339 16.0339 16.5608 16.5608 16.7141 16.7141 17.3412 17.3412 17.9266 17.9266 17.9923 17.9923 18.4303 18.4303 20.0327 20.0327 20.4463 20.4463 20.8098 20.8098 21.6393 21.6393 21.7278 21.7278 k = 0.3947 0.1823 0.6124 ( 4712 PWs) bands (ev): -52.0745 -52.0745 -52.0696 -52.0696 -35.9677 -35.9677 -24.7052 -24.7052 -24.6841 -24.6841 -21.6085 -21.6085 -21.5690 -21.5690 -21.4805 -21.4805 -21.4611 -21.4611 -13.5110 -13.5110 -11.4324 -11.4324 -11.4141 -11.4141 12.5330 12.5330 14.4168 14.4168 14.5080 14.5080 15.6457 15.6457 15.8075 15.8075 15.9934 15.9934 16.5712 16.5712 16.7001 16.7001 17.3658 17.3658 17.9703 17.9703 17.9950 17.9950 18.3875 18.3875 20.0073 20.0073 20.4393 20.4393 20.8110 20.8110 21.6799 21.6799 21.7534 21.7534 k = 0.3882 0.1937 0.6124 ( 4712 PWs) bands (ev): -52.0746 -52.0746 -52.0696 -52.0696 -35.9677 -35.9677 -24.7054 -24.7054 -24.6839 -24.6839 -21.6086 -21.6086 -21.5687 -21.5687 -21.4806 -21.4806 -21.4610 -21.4610 -13.5110 -13.5110 -11.4325 -11.4325 -11.4140 -11.4140 12.5314 12.5314 14.4189 14.4189 14.5125 14.5125 15.6711 15.6711 15.7912 15.7912 15.9592 15.9592 16.5803 16.5803 16.6884 16.6884 17.3838 17.3838 17.9858 17.9858 18.0204 18.0204 18.3490 18.3490 19.9888 19.9888 20.4343 20.4343 20.8118 20.8118 21.7114 21.7114 21.7724 21.7724 k = 0.3816 0.2051 0.6124 ( 4708 PWs) bands (ev): -52.0746 -52.0746 -52.0695 -52.0695 -35.9677 -35.9677 -24.7055 -24.7055 -24.6838 -24.6838 -21.6087 -21.6087 -21.5686 -21.5686 -21.4807 -21.4807 -21.4609 -21.4609 -13.5110 -13.5110 -11.4325 -11.4325 -11.4140 -11.4140 12.5305 12.5305 14.4201 14.4201 14.5153 14.5153 15.6902 15.6902 15.7808 15.7808 15.9351 15.9351 16.5869 16.5869 16.6802 16.6802 17.3948 17.3948 17.9870 17.9870 18.0496 18.0496 18.3200 18.3200 19.9776 19.9776 20.4314 20.4314 20.8123 20.8123 21.7309 21.7309 21.7851 21.7851 k = 0.3750 0.2165 0.6124 ( 4714 PWs) bands (ev): -52.0746 -52.0746 -52.0695 -52.0695 -35.9677 -35.9677 -24.7055 -24.7055 -24.6838 -24.6838 -21.6088 -21.6088 -21.5686 -21.5686 -21.4808 -21.4808 -21.4609 -21.4609 -13.5110 -13.5110 -11.4325 -11.4325 -11.4140 -11.4140 12.5301 12.5301 14.4205 14.4205 14.5163 14.5163 15.6977 15.6977 15.7772 15.7772 15.9262 15.9262 16.5894 16.5894 16.6772 16.6772 17.3984 17.3984 17.9871 17.9871 18.0612 18.0612 18.3087 18.3087 19.9739 19.9739 20.4304 20.4304 20.8125 20.8125 21.7374 21.7374 21.7897 21.7897 k = 0.3750 0.2165 0.6124 ( 4714 PWs) bands (ev): -52.0746 -52.0746 -52.0695 -52.0695 -35.9677 -35.9677 -24.7055 -24.7055 -24.6838 -24.6838 -21.6088 -21.6088 -21.5686 -21.5686 -21.4808 -21.4808 -21.4609 -21.4609 -13.5110 -13.5110 -11.4325 -11.4325 -11.4140 -11.4140 12.5301 12.5301 14.4205 14.4205 14.5163 14.5163 15.6977 15.6977 15.7772 15.7772 15.9262 15.9262 16.5894 16.5894 16.6772 16.6772 17.3984 17.3984 17.9871 17.9871 18.0612 18.0612 18.3087 18.3087 19.9739 19.9739 20.4304 20.4304 20.8125 20.8125 21.7374 21.7374 21.7897 21.7897 k = 0.3682 0.2126 0.6012 ( 4706 PWs) bands (ev): -52.0742 -52.0742 -52.0699 -52.0699 -35.9677 -35.9677 -24.7042 -24.7042 -24.6850 -24.6850 -21.6060 -21.6060 -21.5693 -21.5693 -21.4802 -21.4802 -21.4636 -21.4636 -13.5111 -13.5111 -11.4322 -11.4322 -11.4143 -11.4143 12.5401 12.5401 14.4189 14.4189 14.5473 14.5473 15.6852 15.6852 15.7771 15.7771 15.8592 15.8592 16.6306 16.6306 16.7196 16.7196 17.3878 17.3878 17.9294 17.9294 17.9859 17.9859 18.2608 18.2608 20.0324 20.0324 20.4325 20.4325 20.8005 20.8005 21.7467 21.7467 21.8100 21.8100 k = 0.3614 0.2086 0.5901 ( 4710 PWs) bands (ev): -52.0738 -52.0738 -52.0703 -52.0703 -35.9676 -35.9676 -24.7028 -24.7028 -24.6863 -24.6863 -21.6031 -21.6031 -21.5701 -21.5701 -21.4796 -21.4796 -21.4665 -21.4665 -13.5111 -13.5111 -11.4318 -11.4318 -11.4147 -11.4147 12.5489 12.5489 14.4162 14.4162 14.5820 14.5820 15.6720 15.6720 15.7548 15.7548 15.8170 15.8170 16.6723 16.6723 16.7586 16.7586 17.3676 17.3676 17.8756 17.8756 17.9110 17.9110 18.2230 18.2230 20.0897 20.0897 20.4366 20.4366 20.7871 20.7871 21.7543 21.7543 21.8158 21.8158 k = 0.3545 0.2047 0.5790 ( 4716 PWs) bands (ev): -52.0734 -52.0734 -52.0707 -52.0707 -35.9676 -35.9676 -24.7016 -24.7016 -24.6875 -24.6875 -21.6002 -21.6002 -21.5708 -21.5708 -21.4790 -21.4790 -21.4694 -21.4694 -13.5112 -13.5112 -11.4315 -11.4315 -11.4151 -11.4151 12.5561 12.5561 14.4125 14.4125 14.6199 14.6199 15.6573 15.6573 15.6971 15.6971 15.8137 15.8137 16.7143 16.7143 16.7929 16.7929 17.3392 17.3392 17.8274 17.8274 17.8366 17.8366 18.1942 18.1942 20.1458 20.1458 20.4429 20.4429 20.7722 20.7722 21.7622 21.7622 21.8230 21.8230 k = 0.3477 0.2008 0.5678 ( 4716 PWs) bands (ev): -52.0730 -52.0730 -52.0712 -52.0712 -35.9675 -35.9675 -24.7003 -24.7003 -24.6887 -24.6887 -21.5974 -21.5974 -21.5713 -21.5713 -21.4785 -21.4785 -21.4724 -21.4724 -13.5113 -13.5113 -11.4312 -11.4312 -11.4154 -11.4154 12.5615 12.5615 14.4080 14.4080 14.6608 14.6608 15.6241 15.6241 15.6492 15.6492 15.8211 15.8211 16.7556 16.7556 16.8215 16.8215 17.3047 17.3047 17.7628 17.7628 17.7866 17.7866 18.1726 18.1726 20.2006 20.2006 20.4517 20.4517 20.7560 20.7560 21.7690 21.7690 21.8351 21.8351 k = 0.3409 0.1968 0.5567 ( 4696 PWs) bands (ev): -52.0726 -52.0726 -52.0716 -52.0716 -35.9675 -35.9675 -24.6992 -24.6992 -24.6896 -24.6896 -21.5946 -21.5946 -21.5717 -21.5717 -21.4782 -21.4782 -21.4751 -21.4751 -13.5114 -13.5114 -11.4310 -11.4310 -11.4157 -11.4157 12.5649 12.5649 14.4026 14.4026 14.7047 14.7047 15.5594 15.5594 15.6317 15.6317 15.8317 15.8317 16.7931 16.7931 16.8457 16.8457 17.2666 17.2666 17.6896 17.6896 17.7553 17.7553 18.1562 18.1562 20.2537 20.2537 20.4632 20.4632 20.7384 20.7384 21.7732 21.7732 21.8542 21.8542 k = 0.3341 0.1929 0.5456 ( 4694 PWs) bands (ev): -52.0721 -52.0721 -52.0721 -52.0721 -35.9674 -35.9674 -24.6984 -24.6984 -24.6903 -24.6903 -21.5920 -21.5920 -21.5718 -21.5718 -21.4795 -21.4795 -21.4763 -21.4763 -13.5115 -13.5115 -11.4308 -11.4308 -11.4159 -11.4159 12.5660 12.5660 14.3961 14.3961 14.7514 14.7514 15.4934 15.4934 15.6157 15.6157 15.8444 15.8444 16.8172 16.8172 16.8731 16.8731 17.2273 17.2273 17.6171 17.6171 17.7349 17.7349 18.1431 18.1431 20.3050 20.3050 20.4775 20.4775 20.7196 20.7196 21.7745 21.7745 21.8812 21.8812 k = 0.3273 0.1890 0.5344 ( 4694 PWs) bands (ev): -52.0725 -52.0725 -52.0717 -52.0717 -35.9674 -35.9674 -24.6981 -24.6981 -24.6904 -24.6904 -21.5898 -21.5898 -21.5715 -21.5715 -21.4824 -21.4824 -21.4760 -21.4760 -13.5116 -13.5116 -11.4306 -11.4306 -11.4161 -11.4161 12.5645 12.5645 14.3884 14.3884 14.8009 14.8009 15.4284 15.4284 15.5996 15.5996 15.8587 15.8587 16.8197 16.8197 16.9107 16.9107 17.1890 17.1890 17.5455 17.5455 17.7264 17.7264 18.1315 18.1315 20.3541 20.3541 20.4946 20.4946 20.7000 20.7000 21.7735 21.7735 21.9158 21.9158 k = 0.3205 0.1850 0.5233 ( 4708 PWs) bands (ev): -52.0730 -52.0730 -52.0712 -52.0712 -35.9673 -35.9673 -24.6986 -24.6986 -24.6900 -24.6900 -21.5881 -21.5881 -21.5707 -21.5707 -21.4857 -21.4857 -21.4754 -21.4754 -13.5118 -13.5118 -11.4305 -11.4305 -11.4163 -11.4163 12.5600 12.5600 14.3794 14.3794 14.8532 14.8532 15.3649 15.3649 15.5830 15.5830 15.8746 15.8746 16.8052 16.8052 16.9536 16.9536 17.1537 17.1537 17.4751 17.4751 17.7298 17.7298 18.1204 18.1204 20.4003 20.4003 20.5147 20.5147 20.6800 20.6800 21.7706 21.7706 21.9579 21.9579 k = 0.3136 0.1811 0.5122 ( 4720 PWs) bands (ev): -52.0735 -52.0735 -52.0707 -52.0707 -35.9672 -35.9672 -24.6995 -24.6995 -24.6890 -24.6890 -21.5870 -21.5870 -21.5692 -21.5692 -21.4891 -21.4891 -21.4748 -21.4748 -13.5120 -13.5120 -11.4304 -11.4304 -11.4164 -11.4164 12.5523 12.5523 14.3690 14.3690 14.9083 14.9083 15.3031 15.3031 15.5663 15.5663 15.8919 15.8919 16.7777 16.7777 16.9978 16.9978 17.1231 17.1231 17.4064 17.4064 17.7437 17.7437 18.1089 18.1089 20.4420 20.4420 20.5378 20.5378 20.6609 20.6609 21.7661 21.7661 22.0075 22.0075 k = 0.3068 0.1771 0.5010 ( 4714 PWs) bands (ev): -52.0740 -52.0740 -52.0702 -52.0702 -35.9671 -35.9671 -24.7007 -24.7007 -24.6877 -24.6877 -21.5864 -21.5864 -21.5670 -21.5670 -21.4924 -21.4924 -21.4742 -21.4742 -13.5122 -13.5122 -11.4303 -11.4303 -11.4165 -11.4165 12.5412 12.5412 14.3572 14.3572 14.9658 14.9658 15.2432 15.2432 15.5495 15.5495 15.9106 15.9106 16.7399 16.7399 17.0399 17.0399 17.0994 17.0994 17.3404 17.3404 17.7664 17.7664 18.0964 18.0964 20.4767 20.4767 20.5639 20.5639 20.6452 20.6452 21.7602 21.7602 22.0645 22.0645 k = 0.3000 0.1732 0.4899 ( 4706 PWs) bands (ev): -52.0745 -52.0745 -52.0697 -52.0697 -35.9670 -35.9670 -24.7020 -24.7020 -24.6862 -24.6862 -21.5863 -21.5863 -21.5644 -21.5644 -21.4958 -21.4958 -21.4735 -21.4735 -13.5124 -13.5124 -11.4303 -11.4303 -11.4166 -11.4166 12.5263 12.5263 14.3442 14.3442 15.0252 15.0252 15.1860 15.1860 15.5327 15.5327 15.9307 15.9307 16.6941 16.6941 17.0615 17.0615 17.0983 17.0983 17.2803 17.2803 17.7958 17.7958 18.0830 18.0830 20.4995 20.4995 20.5911 20.5911 20.6393 20.6393 21.7529 21.7529 22.1290 22.1290 k = 0.2932 0.1693 0.4788 ( 4706 PWs) bands (ev): -52.0750 -52.0750 -52.0692 -52.0692 -35.9669 -35.9669 -24.7035 -24.7035 -24.6847 -24.6847 -21.5865 -21.5865 -21.5613 -21.5613 -21.4993 -21.4993 -21.4729 -21.4729 -13.5126 -13.5126 -11.4304 -11.4304 -11.4167 -11.4167 12.5074 12.5074 14.3301 14.3301 15.0800 15.0800 15.1379 15.1379 15.5160 15.5160 15.9520 15.9520 16.6424 16.6424 17.0490 17.0490 17.1222 17.1222 17.2374 17.2374 17.8299 17.8299 18.0685 18.0685 20.5053 20.5053 20.6138 20.6138 20.6540 20.6540 21.7442 21.7442 22.2012 22.2012 k = 0.2864 0.1653 0.4676 ( 4710 PWs) bands (ev): -52.0755 -52.0755 -52.0687 -52.0687 -35.9668 -35.9668 -24.7050 -24.7050 -24.6831 -24.6831 -21.5869 -21.5869 -21.5581 -21.5581 -21.5028 -21.5028 -21.4722 -21.4722 -13.5129 -13.5129 -11.4304 -11.4304 -11.4167 -11.4167 12.4843 12.4843 14.3153 14.3153 15.0644 15.0644 15.1646 15.1646 15.4996 15.4996 15.9746 15.9746 16.5865 16.5865 17.0272 17.0272 17.1194 17.1194 17.2383 17.2383 17.8668 17.8668 18.0535 18.0535 20.4949 20.4949 20.6343 20.6343 20.6857 20.6857 21.7340 21.7340 22.2810 22.2810 k = 0.2795 0.1614 0.4565 ( 4702 PWs) bands (ev): -52.0761 -52.0761 -52.0682 -52.0682 -35.9667 -35.9667 -24.7065 -24.7065 -24.6814 -24.6814 -21.5874 -21.5874 -21.5546 -21.5546 -21.5063 -21.5063 -21.4716 -21.4716 -13.5131 -13.5131 -11.4305 -11.4305 -11.4167 -11.4167 12.4568 12.4568 14.3002 14.3002 15.0146 15.0146 15.2298 15.2298 15.4836 15.4836 15.9983 15.9983 16.5279 16.5279 16.9905 16.9905 17.1047 17.1047 17.2740 17.2740 17.9045 17.9045 18.0386 18.0386 20.4750 20.4750 20.6576 20.6576 20.7231 20.7231 21.7223 21.7223 22.3684 22.3684 k = 0.2727 0.1575 0.4454 ( 4694 PWs) bands (ev): -52.0766 -52.0766 -52.0677 -52.0677 -35.9666 -35.9666 -24.7081 -24.7081 -24.6797 -24.6797 -21.5881 -21.5881 -21.5511 -21.5511 -21.5098 -21.5098 -21.4709 -21.4709 -13.5134 -13.5134 -11.4305 -11.4305 -11.4167 -11.4167 12.4248 12.4248 14.2853 14.2853 14.9643 14.9643 15.2993 15.2993 15.4683 15.4683 16.0231 16.0231 16.4677 16.4677 16.9385 16.9385 17.1026 17.1026 17.3198 17.3198 17.9401 17.9401 18.0262 18.0262 20.4504 20.4504 20.6828 20.6828 20.7619 20.7619 21.7091 21.7091 22.4632 22.4632 k = 0.2659 0.1535 0.4342 ( 4698 PWs) bands (ev): -52.0771 -52.0771 -52.0672 -52.0672 -35.9664 -35.9664 -24.7097 -24.7097 -24.6781 -24.6781 -21.5887 -21.5887 -21.5475 -21.5475 -21.5133 -21.5133 -21.4703 -21.4703 -13.5137 -13.5137 -11.4306 -11.4306 -11.4167 -11.4167 12.3882 12.3882 14.2710 14.2710 14.9155 14.9155 15.3686 15.3686 15.4559 15.4559 16.0489 16.0489 16.4069 16.4069 16.8790 16.8790 17.1120 17.1120 17.3689 17.3689 17.9653 17.9653 18.0239 18.0239 20.4236 20.4236 20.7090 20.7090 20.8008 20.8008 21.6942 21.6942 22.5653 22.5653 k = 0.2591 0.1496 0.4231 ( 4702 PWs) bands (ev): -52.0777 -52.0777 -52.0667 -52.0667 -35.9663 -35.9663 -24.7113 -24.7113 -24.6764 -24.6764 -21.5894 -21.5894 -21.5438 -21.5438 -21.5169 -21.5169 -21.4697 -21.4697 -13.5141 -13.5141 -11.4307 -11.4307 -11.4167 -11.4167 12.3471 12.3471 14.2578 14.2578 14.8684 14.8684 15.4131 15.4131 15.4707 15.4707 16.0752 16.0752 16.3464 16.3464 16.8165 16.8165 17.1296 17.1296 17.4195 17.4195 17.9676 17.9676 18.0442 18.0442 20.3958 20.3958 20.7356 20.7356 20.8393 20.8393 21.6777 21.6777 22.6745 22.6745 k = 0.2523 0.1456 0.4120 ( 4702 PWs) bands (ev): -52.0782 -52.0782 -52.0662 -52.0662 -35.9662 -35.9662 -24.7129 -24.7129 -24.6747 -24.6747 -21.5901 -21.5901 -21.5401 -21.5401 -21.5204 -21.5204 -21.4690 -21.4690 -13.5144 -13.5144 -11.4308 -11.4308 -11.4168 -11.4168 12.3016 12.3016 14.2461 14.2461 14.8232 14.8232 15.4067 15.4067 15.5382 15.5382 16.1012 16.1012 16.2876 16.2876 16.7529 16.7529 17.1535 17.1535 17.4709 17.4709 17.9579 17.9579 18.0759 18.0759 20.3678 20.3678 20.7624 20.7624 20.8771 20.8771 21.6595 21.6595 22.7904 22.7904 k = 0.2455 0.1417 0.4008 ( 4702 PWs) bands (ev): -52.0788 -52.0788 -52.0656 -52.0656 -35.9660 -35.9660 -24.7145 -24.7145 -24.6730 -24.6730 -21.5908 -21.5908 -21.5365 -21.5365 -21.5239 -21.5239 -21.4684 -21.4684 -13.5148 -13.5148 -11.4308 -11.4308 -11.4168 -11.4168 12.2518 12.2518 14.2364 14.2364 14.7800 14.7800 15.3907 15.3907 15.6168 15.6168 16.1234 16.1234 16.2343 16.2343 16.6890 16.6890 17.1824 17.1824 17.5228 17.5228 17.9466 17.9466 18.1089 18.1089 20.3400 20.3400 20.7891 20.7891 20.9142 20.9142 21.6395 21.6395 22.9129 22.9129 k = 0.2386 0.1378 0.3897 ( 4702 PWs) bands (ev): -52.0793 -52.0793 -52.0651 -52.0651 -35.9659 -35.9659 -24.7161 -24.7161 -24.6714 -24.6714 -21.5914 -21.5914 -21.5328 -21.5328 -21.5273 -21.5273 -21.4678 -21.4678 -13.5151 -13.5151 -11.4309 -11.4309 -11.4169 -11.4169 12.1982 12.1982 14.2288 14.2288 14.7387 14.7387 15.3724 15.3724 15.6986 15.6986 16.1244 16.1244 16.2045 16.2045 16.6253 16.6253 17.2152 17.2152 17.5749 17.5749 17.9368 17.9368 18.1406 18.1406 20.3128 20.3128 20.8158 20.8158 20.9504 20.9504 21.6176 21.6176 23.0415 23.0415 k = 0.2318 0.1338 0.3786 ( 4708 PWs) bands (ev): -52.0798 -52.0798 -52.0646 -52.0646 -35.9657 -35.9657 -24.7177 -24.7177 -24.6697 -24.6697 -21.5921 -21.5921 -21.5308 -21.5308 -21.5291 -21.5291 -21.4673 -21.4673 -13.5155 -13.5155 -11.4309 -11.4309 -11.4169 -11.4169 12.1409 12.1409 14.2236 14.2236 14.6994 14.6994 15.3529 15.3529 15.7821 15.7821 16.0864 16.0864 16.2163 16.2163 16.5619 16.5619 17.2507 17.2507 17.6269 17.6269 17.9302 17.9302 18.1700 18.1700 20.2866 20.2866 20.8424 20.8424 20.9858 20.9858 21.5938 21.5938 23.1760 23.1760 k = 0.2250 0.1299 0.3674 ( 4702 PWs) bands (ev): -52.0804 -52.0804 -52.0641 -52.0641 -35.9655 -35.9655 -24.7192 -24.7192 -24.6681 -24.6681 -21.5927 -21.5927 -21.5341 -21.5341 -21.5255 -21.5255 -21.4667 -21.4667 -13.5159 -13.5159 -11.4309 -11.4309 -11.4170 -11.4170 12.0804 12.0804 14.2209 14.2209 14.6621 14.6621 15.3322 15.3322 15.8656 15.8656 16.0371 16.0371 16.2438 16.2438 16.4990 16.4990 17.2875 17.2875 17.6786 17.6786 17.9284 17.9284 18.1968 18.1968 20.2618 20.2618 20.8688 20.8688 21.0202 21.0202 21.5682 21.5682 23.3161 23.3161 k = 0.2182 0.1260 0.3563 ( 4702 PWs) bands (ev): -52.0809 -52.0809 -52.0636 -52.0636 -35.9654 -35.9654 -24.7207 -24.7207 -24.6665 -24.6665 -21.5933 -21.5933 -21.5375 -21.5375 -21.5219 -21.5219 -21.4662 -21.4662 -13.5164 -13.5164 -11.4309 -11.4309 -11.4171 -11.4171 12.0171 12.0171 14.2207 14.2207 14.6268 14.6268 15.3106 15.3106 15.9336 15.9336 16.0030 16.0030 16.2753 16.2753 16.4368 16.4368 17.3237 17.3237 17.7298 17.7298 17.9329 17.9329 18.2206 18.2206 20.2386 20.2386 20.8953 20.8953 21.0537 21.0537 21.5405 21.5405 23.4613 23.4613 k = 0.2114 0.1220 0.3452 ( 4714 PWs) bands (ev): -52.0815 -52.0815 -52.0631 -52.0631 -35.9652 -35.9652 -24.7222 -24.7222 -24.6650 -24.6650 -21.5938 -21.5938 -21.5408 -21.5408 -21.5185 -21.5185 -21.4657 -21.4657 -13.5168 -13.5168 -11.4309 -11.4309 -11.4173 -11.4173 11.9514 11.9514 14.2228 14.2228 14.5935 14.5935 15.2882 15.2882 15.9140 15.9140 16.0580 16.0580 16.3089 16.3089 16.3753 16.3753 17.3574 17.3574 17.7802 17.7802 17.9455 17.9455 18.2416 18.2416 20.2171 20.2171 20.9217 20.9217 21.0862 21.0862 21.5109 21.5109 23.6114 23.6114 k = 0.2045 0.1181 0.3340 ( 4720 PWs) bands (ev): -52.0820 -52.0820 -52.0626 -52.0626 -35.9650 -35.9650 -24.7237 -24.7237 -24.6635 -24.6635 -21.5943 -21.5943 -21.5440 -21.5440 -21.5150 -21.5150 -21.4652 -21.4652 -13.5172 -13.5172 -11.4309 -11.4309 -11.4174 -11.4174 11.8838 11.8838 14.2273 14.2273 14.5623 14.5623 15.2651 15.2651 15.8660 15.8660 16.1434 16.1434 16.3142 16.3142 16.3444 16.3444 17.3869 17.3869 17.8300 17.8300 17.9674 17.9674 18.2599 18.2599 20.1976 20.1976 20.9480 20.9480 21.1178 21.1178 21.4792 21.4792 23.7660 23.7660 k = 0.1977 0.1142 0.3229 ( 4724 PWs) bands (ev): -52.0825 -52.0825 -52.0621 -52.0621 -35.9648 -35.9648 -24.7251 -24.7251 -24.6620 -24.6620 -21.5948 -21.5948 -21.5473 -21.5473 -21.5116 -21.5116 -21.4647 -21.4647 -13.5176 -13.5176 -11.4308 -11.4308 -11.4176 -11.4176 11.8148 11.8148 14.2338 14.2338 14.5329 14.5329 15.2416 15.2416 15.8167 15.8167 16.2309 16.2309 16.2550 16.2550 16.3807 16.3807 17.4104 17.4104 17.8799 17.8799 17.9990 17.9990 18.2757 18.2757 20.1802 20.1802 20.9744 20.9744 21.1484 21.1484 21.4456 21.4456 23.9248 23.9248 k = 0.1909 0.1102 0.3118 ( 4720 PWs) bands (ev): -52.0830 -52.0830 -52.0616 -52.0616 -35.9647 -35.9647 -24.7265 -24.7265 -24.6605 -24.6605 -21.5953 -21.5953 -21.5503 -21.5503 -21.5082 -21.5082 -21.4642 -21.4642 -13.5181 -13.5181 -11.4307 -11.4307 -11.4178 -11.4178 11.7448 11.7448 14.2423 14.2423 14.5056 14.5056 15.2177 15.2177 15.7684 15.7684 16.1949 16.1949 16.3192 16.3192 16.4196 16.4196 17.4271 17.4271 17.9315 17.9315 18.0391 18.0391 18.2896 18.2896 20.1649 20.1649 21.0009 21.0009 21.1779 21.1779 21.4100 21.4100 24.0873 24.0873 k = 0.1841 0.1063 0.3006 ( 4728 PWs) bands (ev): -52.0835 -52.0835 -52.0611 -52.0611 -35.9645 -35.9645 -24.7279 -24.7279 -24.6591 -24.6591 -21.5956 -21.5956 -21.5534 -21.5534 -21.5050 -21.5050 -21.4638 -21.4638 -13.5185 -13.5185 -11.4306 -11.4306 -11.4181 -11.4181 11.6743 11.6743 14.2523 14.2523 14.4802 14.4802 15.1939 15.1939 15.7218 15.7218 16.1367 16.1367 16.4009 16.4009 16.4642 16.4642 17.4371 17.4371 17.9859 17.9859 18.0857 18.0857 18.3023 18.3023 20.1518 20.1518 21.0273 21.0273 21.2063 21.2063 21.3725 21.3725 24.2531 24.2531 k = 0.1773 0.1023 0.2895 ( 4724 PWs) bands (ev): -52.0840 -52.0840 -52.0606 -52.0606 -35.9643 -35.9643 -24.7292 -24.7292 -24.6577 -24.6577 -21.5960 -21.5960 -21.5564 -21.5564 -21.5018 -21.5018 -21.4634 -21.4634 -13.5190 -13.5190 -11.4304 -11.4304 -11.4183 -11.4183 11.6035 11.6035 14.2637 14.2637 14.4568 14.4568 15.1704 15.1704 15.6770 15.6770 16.0793 16.0793 16.4651 16.4651 16.5259 16.5259 17.4411 17.4411 18.0434 18.0434 18.1370 18.1370 18.3150 18.3150 20.1407 20.1407 21.0538 21.0538 21.2332 21.2332 21.3336 21.3336 24.4216 24.4216 k = 0.1705 0.0984 0.2784 ( 4724 PWs) bands (ev): -52.0845 -52.0845 -52.0602 -52.0602 -35.9641 -35.9641 -24.7305 -24.7305 -24.6564 -24.6564 -21.5963 -21.5963 -21.5593 -21.5593 -21.4987 -21.4987 -21.4630 -21.4630 -13.5195 -13.5195 -11.4302 -11.4302 -11.4186 -11.4186 11.5330 11.5330 14.2761 14.2761 14.4353 14.4353 15.1476 15.1476 15.6341 15.6341 16.0230 16.0230 16.5113 16.5113 16.6040 16.6040 17.4401 17.4401 18.1031 18.1031 18.1915 18.1915 18.3293 18.3293 20.1316 20.1316 21.0804 21.0804 21.2553 21.2553 21.2964 21.2964 24.5919 24.5919 k = 0.1636 0.0945 0.2672 ( 4733 PWs) bands (ev): -52.0850 -52.0850 -52.0597 -52.0597 -35.9639 -35.9639 -24.7318 -24.7318 -24.6551 -24.6551 -21.5966 -21.5966 -21.5621 -21.5621 -21.4957 -21.4957 -21.4626 -21.4626 -13.5199 -13.5199 -11.4301 -11.4301 -11.4189 -11.4189 11.4630 11.4630 14.2890 14.2890 14.4157 14.4157 15.1257 15.1257 15.5933 15.5933 15.9676 15.9676 16.5517 16.5517 16.6854 16.6854 17.4350 17.4350 18.1630 18.1630 18.2476 18.2476 18.3482 18.3482 20.1243 20.1243 21.1070 21.1070 21.2401 21.2401 21.2936 21.2936 24.7615 24.7615 k = 0.1568 0.0905 0.2561 ( 4725 PWs) bands (ev): -52.0855 -52.0855 -52.0593 -52.0593 -35.9637 -35.9637 -24.7330 -24.7330 -24.6538 -24.6538 -21.5968 -21.5968 -21.5648 -21.5648 -21.4928 -21.4928 -21.4622 -21.4622 -13.5204 -13.5204 -11.4298 -11.4298 -11.4192 -11.4192 11.3940 11.3940 14.3021 14.3021 14.3980 14.3980 15.1052 15.1052 15.5544 15.5544 15.9134 15.9134 16.5903 16.5903 16.7650 16.7650 17.4269 17.4269 18.2205 18.2205 18.3018 18.3018 18.3778 18.3778 20.1186 20.1186 21.1335 21.1335 21.1974 21.1974 21.3156 21.3156 24.9193 24.9193 k = 0.1500 0.0866 0.2449 ( 4719 PWs) bands (ev): -52.0859 -52.0859 -52.0589 -52.0589 -35.9635 -35.9635 -24.7341 -24.7341 -24.6526 -24.6526 -21.5970 -21.5970 -21.5674 -21.5674 -21.4900 -21.4900 -21.4618 -21.4618 -13.5208 -13.5208 -11.4296 -11.4296 -11.4195 -11.4195 11.3261 11.3261 14.3150 14.3150 14.3823 14.3823 15.0864 15.0864 15.5177 15.5177 15.8602 15.8602 16.6281 16.6281 16.8406 16.8406 17.4164 17.4164 18.2723 18.2723 18.3502 18.3502 18.4250 18.4250 20.1143 20.1143 21.1478 21.1478 21.1628 21.1628 21.3388 21.3388 24.9707 24.9707 k = 0.1432 0.0827 0.2338 ( 4727 PWs) bands (ev): -52.0864 -52.0864 -52.0584 -52.0584 -35.9633 -35.9633 -24.7353 -24.7353 -24.6514 -24.6514 -21.5972 -21.5972 -21.5700 -21.5700 -21.4873 -21.4873 -21.4615 -21.4615 -13.5213 -13.5213 -11.4294 -11.4294 -11.4198 -11.4198 11.2597 11.2597 14.3267 14.3267 14.3689 14.3689 15.0697 15.0697 15.4830 15.4830 15.8083 15.8083 16.6654 16.6654 16.9107 16.9107 17.4040 17.4040 18.3163 18.3163 18.3977 18.3977 18.4876 18.4876 20.1111 20.1111 21.1002 21.1002 21.1878 21.1878 21.3615 21.3615 24.9299 24.9299 k = 0.1364 0.0787 0.2227 ( 4733 PWs) bands (ev): -52.0868 -52.0868 -52.0580 -52.0580 -35.9631 -35.9631 -24.7364 -24.7364 -24.6503 -24.6503 -21.5974 -21.5974 -21.5725 -21.5725 -21.4847 -21.4847 -21.4612 -21.4612 -13.5217 -13.5217 -11.4291 -11.4291 -11.4202 -11.4202 11.1950 11.1950 14.3358 14.3358 14.3588 14.3588 15.0555 15.0555 15.4503 15.4503 15.7577 15.7577 16.7021 16.7021 16.9741 16.9741 17.3903 17.3903 18.3550 18.3550 18.4496 18.4496 18.5580 18.5580 20.1088 20.1088 21.0491 21.0491 21.2144 21.2144 21.3833 21.3833 24.8826 24.8826 k = 0.1295 0.0748 0.2115 ( 4733 PWs) bands (ev): -52.0872 -52.0872 -52.0577 -52.0577 -35.9630 -35.9630 -24.7374 -24.7374 -24.6493 -24.6493 -21.5975 -21.5975 -21.5748 -21.5748 -21.4823 -21.4823 -21.4610 -21.4610 -13.5221 -13.5221 -11.4288 -11.4288 -11.4205 -11.4205 11.1322 11.1322 14.3369 14.3369 14.3571 14.3571 15.0442 15.0442 15.4197 15.4197 15.7084 15.7084 16.7381 16.7381 17.0298 17.0298 17.3754 17.3754 18.3941 18.3941 18.5050 18.5050 18.6319 18.6319 20.1071 20.1071 20.9960 20.9960 21.2411 21.2411 21.4042 21.4042 24.8369 24.8369 k = 0.1227 0.0709 0.2004 ( 4737 PWs) bands (ev): -52.0876 -52.0876 -52.0573 -52.0573 -35.9628 -35.9628 -24.7384 -24.7384 -24.6483 -24.6483 -21.5976 -21.5976 -21.5770 -21.5770 -21.4799 -21.4799 -21.4607 -21.4607 -13.5225 -13.5225 -11.4286 -11.4286 -11.4209 -11.4209 11.0716 11.0716 14.3308 14.3308 14.3626 14.3626 15.0359 15.0359 15.3912 15.3912 15.6605 15.6605 16.7734 16.7734 17.0770 17.0770 17.3597 17.3597 18.4373 18.4373 18.5622 18.5622 18.7071 18.7071 20.1058 20.1058 20.9413 20.9413 21.2677 21.2677 21.4242 21.4242 24.7943 24.7943 k = 0.1159 0.0669 0.1893 ( 4729 PWs) bands (ev): -52.0880 -52.0880 -52.0569 -52.0569 -35.9626 -35.9626 -24.7393 -24.7393 -24.6473 -24.6473 -21.5976 -21.5976 -21.5792 -21.5792 -21.4777 -21.4777 -21.4604 -21.4604 -13.5230 -13.5230 -11.4283 -11.4283 -11.4213 -11.4213 11.0134 11.0134 14.3239 14.3239 14.3683 14.3683 15.0310 15.0310 15.3646 15.3646 15.6140 15.6140 16.8079 16.8079 17.1156 17.1156 17.3434 17.3434 18.4865 18.4865 18.6206 18.6206 18.7823 18.7823 20.1045 20.1045 20.8850 20.8850 21.2943 21.2943 21.4431 21.4431 24.7554 24.7554 k = 0.1091 0.0630 0.1781 ( 4733 PWs) bands (ev): -52.0883 -52.0883 -52.0566 -52.0566 -35.9625 -35.9625 -24.7402 -24.7402 -24.6464 -24.6464 -21.5976 -21.5976 -21.5812 -21.5812 -21.4756 -21.4756 -21.4602 -21.4602 -13.5233 -13.5233 -11.4280 -11.4280 -11.4216 -11.4216 10.9577 10.9577 14.3180 14.3180 14.3724 14.3724 15.0293 15.0293 15.3400 15.3400 15.5692 15.5692 16.8413 16.8413 17.1455 17.1455 17.3267 17.3267 18.5424 18.5424 18.6796 18.6796 18.8566 18.8566 20.1031 20.1031 20.8273 20.8273 21.3206 21.3206 21.4611 21.4611 24.7208 24.7208 k = 0.1023 0.0590 0.1670 ( 4731 PWs) bands (ev): -52.0887 -52.0887 -52.0563 -52.0563 -35.9623 -35.9623 -24.7410 -24.7410 -24.6455 -24.6455 -21.5977 -21.5977 -21.5831 -21.5831 -21.4735 -21.4735 -21.4600 -21.4600 -13.5237 -13.5237 -11.4277 -11.4277 -11.4220 -11.4220 10.9046 10.9046 14.3133 14.3133 14.3746 14.3746 15.0309 15.0309 15.3172 15.3172 15.5260 15.5260 16.8736 16.8736 17.1674 17.1674 17.3097 17.3097 18.6048 18.6048 18.7391 18.7391 18.9292 18.9292 20.1013 20.1013 20.7683 20.7683 21.3468 21.3468 21.4780 21.4780 24.6907 24.6907 k = 0.0955 0.0551 0.1559 ( 4731 PWs) bands (ev): -52.0890 -52.0890 -52.0560 -52.0560 -35.9621 -35.9621 -24.7418 -24.7418 -24.6447 -24.6447 -21.5977 -21.5977 -21.5849 -21.5849 -21.4716 -21.4716 -21.4598 -21.4598 -13.5241 -13.5241 -11.4274 -11.4274 -11.4223 -11.4223 10.8544 10.8544 14.3097 14.3097 14.3749 14.3749 15.0356 15.0356 15.2963 15.2963 15.4846 15.4846 16.9047 16.9047 17.1821 17.1821 17.2926 17.2926 18.6729 18.6729 18.7990 18.7990 18.9995 18.9995 20.0988 20.0988 20.7081 20.7081 21.3726 21.3726 21.4939 21.4939 24.6655 24.6655 k = 0.0886 0.0512 0.1447 ( 4735 PWs) bands (ev): -52.0893 -52.0893 -52.0557 -52.0557 -35.9620 -35.9620 -24.7425 -24.7425 -24.6440 -24.6440 -21.5977 -21.5977 -21.5866 -21.5866 -21.4699 -21.4699 -21.4596 -21.4596 -13.5244 -13.5244 -11.4271 -11.4271 -11.4226 -11.4226 10.8072 10.8072 14.3073 14.3073 14.3734 14.3734 15.0429 15.0429 15.2773 15.2773 15.4450 15.4450 16.9343 16.9343 17.1905 17.1905 17.2756 17.2756 18.7458 18.7458 18.8592 18.8592 19.0670 19.0670 20.0954 20.0954 20.6469 20.6469 21.3981 21.3981 21.5088 21.5088 24.6453 24.6453 k = 0.0818 0.0472 0.1336 ( 4723 PWs) bands (ev): -52.0896 -52.0896 -52.0554 -52.0554 -35.9618 -35.9618 -24.7432 -24.7432 -24.6433 -24.6433 -21.5976 -21.5976 -21.5881 -21.5881 -21.4682 -21.4682 -21.4595 -21.4595 -13.5247 -13.5247 -11.4269 -11.4269 -11.4230 -11.4230 10.7630 10.7630 14.3059 14.3059 14.3704 14.3704 15.0525 15.0525 15.2600 15.2600 15.4075 15.4075 16.9624 16.9624 17.1939 17.1939 17.2588 17.2588 18.8222 18.8222 18.9198 18.9198 19.1312 19.1312 20.0909 20.0909 20.5848 20.5848 21.4230 21.4230 21.5226 21.5226 24.6306 24.6306 k = 0.0750 0.0433 0.1225 ( 4715 PWs) bands (ev): -52.0899 -52.0899 -52.0552 -52.0552 -35.9617 -35.9617 -24.7438 -24.7438 -24.6426 -24.6426 -21.5976 -21.5976 -21.5896 -21.5896 -21.4667 -21.4667 -21.4593 -21.4593 -13.5250 -13.5250 -11.4266 -11.4266 -11.4233 -11.4233 10.7220 10.7220 14.3055 14.3055 14.3661 14.3661 15.0638 15.0638 15.2443 15.2443 15.3721 15.3721 16.9888 16.9888 17.1933 17.1933 17.2425 17.2425 18.9007 18.9007 18.9806 18.9806 19.1916 19.1916 20.0851 20.0851 20.5221 20.5221 21.4472 21.4472 21.5354 21.5354 24.6213 24.6213 k = 0.0682 0.0394 0.1113 ( 4715 PWs) bands (ev): -52.0901 -52.0901 -52.0550 -52.0550 -35.9616 -35.9616 -24.7444 -24.7444 -24.6420 -24.6420 -21.5976 -21.5976 -21.5909 -21.5909 -21.4653 -21.4653 -21.4592 -21.4592 -13.5253 -13.5253 -11.4264 -11.4264 -11.4236 -11.4236 10.6842 10.6842 14.3058 14.3058 14.3610 14.3610 15.0764 15.0764 15.2303 15.2303 15.3390 15.3390 17.0134 17.0134 17.1897 17.1897 17.2268 17.2268 18.9802 18.9802 19.0415 19.0415 19.2479 19.2479 20.0777 20.0777 20.4589 20.4589 21.4705 21.4705 21.5471 21.5471 24.6178 24.6178 k = 0.0614 0.0354 0.1002 ( 4709 PWs) bands (ev): -52.0903 -52.0903 -52.0548 -52.0548 -35.9615 -35.9615 -24.7449 -24.7449 -24.6414 -24.6414 -21.5975 -21.5975 -21.5921 -21.5921 -21.4640 -21.4640 -21.4590 -21.4590 -13.5256 -13.5256 -11.4261 -11.4261 -11.4238 -11.4238 10.6498 10.6498 14.3068 14.3068 14.3553 14.3553 15.0896 15.0896 15.2178 15.2178 15.3083 15.3083 17.0360 17.0360 17.1840 17.1840 17.2119 17.2119 19.0594 19.0594 19.1025 19.1025 19.2996 19.2996 20.0687 20.0687 20.3955 20.3955 21.4928 21.4928 21.5577 21.5577 24.6201 24.6201 k = 0.0545 0.0315 0.0891 ( 4711 PWs) bands (ev): -52.0905 -52.0905 -52.0546 -52.0546 -35.9614 -35.9614 -24.7454 -24.7454 -24.6410 -24.6410 -21.5975 -21.5975 -21.5932 -21.5932 -21.4629 -21.4629 -21.4589 -21.4589 -13.5258 -13.5258 -11.4259 -11.4259 -11.4241 -11.4241 10.6189 10.6189 14.3084 14.3084 14.3494 14.3494 15.1030 15.1030 15.2069 15.2069 15.2802 15.2802 17.0566 17.0566 17.1769 17.1769 17.1980 17.1980 19.1370 19.1370 19.1632 19.1632 19.3466 19.3466 20.0578 20.0578 20.3321 20.3321 21.5137 21.5137 21.5672 21.5672 24.6283 24.6283 k = 0.0477 0.0276 0.0779 ( 4707 PWs) bands (ev): -52.0907 -52.0907 -52.0544 -52.0544 -35.9613 -35.9613 -24.7458 -24.7458 -24.6405 -24.6405 -21.5975 -21.5975 -21.5942 -21.5942 -21.4618 -21.4618 -21.4588 -21.4588 -13.5260 -13.5260 -11.4257 -11.4257 -11.4243 -11.4243 10.5914 10.5914 14.3103 14.3103 14.3436 14.3436 15.1160 15.1160 15.1974 15.1974 15.2549 15.2549 17.0750 17.0750 17.1692 17.1692 17.1853 17.1853 19.2118 19.2118 19.2235 19.2235 19.3885 19.3885 20.0452 20.0452 20.2693 20.2693 21.5331 21.5331 21.5756 21.5756 24.6422 24.6422 k = 0.0409 0.0236 0.0668 ( 4687 PWs) bands (ev): -52.0908 -52.0908 -52.0543 -52.0543 -35.9612 -35.9612 -24.7461 -24.7461 -24.6401 -24.6401 -21.5974 -21.5974 -21.5949 -21.5949 -21.4609 -21.4609 -21.4587 -21.4587 -13.5262 -13.5262 -11.4255 -11.4255 -11.4245 -11.4245 10.5675 10.5675 14.3123 14.3123 14.3381 14.3381 15.1282 15.1282 15.1892 15.1892 15.2326 15.2326 17.0910 17.0910 17.1612 17.1612 17.1741 17.1741 19.2826 19.2826 19.2829 19.2829 19.4251 19.4251 20.0308 20.0308 20.2075 20.2075 21.5506 21.5506 21.5829 21.5829 24.6618 24.6618 k = 0.0341 0.0197 0.0557 ( 4683 PWs) bands (ev): -52.0910 -52.0910 -52.0542 -52.0542 -35.9611 -35.9611 -24.7463 -24.7463 -24.6398 -24.6398 -21.5973 -21.5973 -21.5956 -21.5956 -21.4602 -21.4602 -21.4587 -21.4587 -13.5264 -13.5264 -11.4254 -11.4254 -11.4247 -11.4247 10.5472 10.5472 14.3144 14.3144 14.3330 14.3330 15.1392 15.1392 15.1824 15.1824 15.2135 15.2135 17.1047 17.1047 17.1536 17.1536 17.1646 17.1646 19.3406 19.3406 19.3481 19.3481 19.4564 19.4564 20.0150 20.0150 20.1476 20.1476 21.5660 21.5660 21.5891 21.5891 24.6864 24.6864 k = 0.0273 0.0157 0.0445 ( 4671 PWs) bands (ev): -52.0911 -52.0911 -52.0541 -52.0541 -35.9611 -35.9611 -24.7465 -24.7465 -24.6395 -24.6395 -21.5972 -21.5972 -21.5961 -21.5961 -21.4596 -21.4596 -21.4586 -21.4586 -13.5265 -13.5265 -11.4253 -11.4253 -11.4248 -11.4248 10.5305 10.5305 14.3164 14.3164 14.3287 14.3287 15.1486 15.1486 15.1768 15.1768 15.1978 15.1978 17.1158 17.1158 17.1466 17.1466 17.1570 17.1570 19.3955 19.3955 19.4066 19.4066 19.4821 19.4821 19.9985 19.9985 20.0908 20.0908 21.5791 21.5791 21.5942 21.5942 24.7153 24.7153 k = 0.0205 0.0118 0.0334 ( 4679 PWs) bands (ev): -52.0912 -52.0912 -52.0540 -52.0540 -35.9610 -35.9610 -24.7467 -24.7467 -24.6394 -24.6394 -21.5972 -21.5972 -21.5966 -21.5966 -21.4592 -21.4592 -21.4586 -21.4586 -13.5266 -13.5266 -11.4252 -11.4252 -11.4249 -11.4249 10.5175 10.5175 14.3181 14.3181 14.3252 14.3252 15.1560 15.1560 15.1722 15.1722 15.1859 15.1859 17.1242 17.1242 17.1408 17.1408 17.1513 17.1513 19.4457 19.4457 19.4563 19.4563 19.5022 19.5022 19.9823 19.9823 20.0390 20.0390 21.5895 21.5895 21.5982 21.5982 24.7468 24.7468 k = 0.0136 0.0079 0.0223 ( 4679 PWs) bands (ev): -52.0912 -52.0912 -52.0539 -52.0539 -35.9610 -35.9610 -24.7469 -24.7469 -24.6393 -24.6393 -21.5972 -21.5972 -21.5969 -21.5969 -21.4588 -21.4588 -21.4586 -21.4586 -13.5267 -13.5267 -11.4251 -11.4251 -11.4250 -11.4250 10.5082 10.5082 14.3195 14.3195 14.3227 14.3227 15.1609 15.1609 15.1682 15.1682 15.1785 15.1785 17.1296 17.1296 17.1364 17.1364 17.1479 17.1479 19.4879 19.4879 19.4949 19.4949 19.5166 19.5166 19.9682 19.9682 19.9956 19.9956 21.5971 21.5971 21.6010 21.6010 24.7776 24.7776 k = 0.0068 0.0039 0.0111 ( 4681 PWs) bands (ev): -52.0913 -52.0913 -52.0539 -52.0539 -35.9610 -35.9610 -24.7469 -24.7469 -24.6392 -24.6392 -21.5972 -21.5972 -21.5971 -21.5971 -21.4587 -21.4587 -21.4586 -21.4586 -13.5267 -13.5267 -11.4251 -11.4251 -11.4250 -11.4250 10.5026 10.5026 14.3203 14.3203 14.3211 14.3211 15.1633 15.1633 15.1651 15.1651 15.1755 15.1755 17.1322 17.1322 17.1337 17.1337 17.1466 17.1466 19.5170 19.5170 19.5197 19.5197 19.5253 19.5253 19.9583 19.9583 19.9656 19.9656 21.6017 21.6017 21.6027 21.6027 24.8019 24.8019 k = 0.0000 0.0000 0.0000 ( 4693 PWs) bands (ev): -52.0913 -52.0913 -52.0539 -52.0539 -35.9610 -35.9610 -24.7470 -24.7470 -24.6392 -24.6392 -21.5972 -21.5972 -21.5972 -21.5972 -21.4586 -21.4586 -21.4586 -21.4586 -13.5267 -13.5267 -11.4250 -11.4250 -11.4250 -11.4250 10.5008 10.5008 14.3206 14.3206 14.3206 14.3206 15.1638 15.1638 15.1638 15.1638 15.1750 15.1750 17.1328 17.1328 17.1328 17.1328 17.1463 17.1463 19.5267 19.5267 19.5288 19.5288 19.5288 19.5288 19.9547 19.9547 19.9547 19.9547 21.6033 21.6033 21.6033 21.6033 24.8116 24.8116 k = 0.0000 0.0000 0.0000 ( 4693 PWs) bands (ev): -52.0913 -52.0913 -52.0539 -52.0539 -35.9610 -35.9610 -24.7470 -24.7470 -24.6392 -24.6392 -21.5972 -21.5972 -21.5972 -21.5972 -21.4586 -21.4586 -21.4586 -21.4586 -13.5267 -13.5267 -11.4250 -11.4250 -11.4250 -11.4250 10.5008 10.5008 14.3206 14.3206 14.3206 14.3206 15.1638 15.1638 15.1638 15.1638 15.1750 15.1750 17.1328 17.1328 17.1328 17.1328 17.1463 17.1463 19.5267 19.5267 19.5288 19.5288 19.5288 19.5288 19.9547 19.9547 19.9547 19.9547 21.6033 21.6033 21.6033 21.6033 24.8116 24.8116 k = 0.0111 0.0064 0.0045 ( 4684 PWs) bands (ev): -52.0913 -52.0913 -52.0539 -52.0539 -35.9610 -35.9610 -24.7469 -24.7469 -24.6392 -24.6392 -21.5972 -21.5972 -21.5971 -21.5971 -21.4587 -21.4587 -21.4586 -21.4586 -13.5267 -13.5267 -11.4251 -11.4251 -11.4250 -11.4250 10.5026 10.5026 14.3207 14.3207 14.3207 14.3207 15.1630 15.1630 15.1652 15.1652 15.1755 15.1755 17.1323 17.1323 17.1336 17.1336 17.1466 17.1466 19.5189 19.5189 19.5208 19.5208 19.5224 19.5224 19.9619 19.9619 19.9620 19.9620 21.6022 21.6022 21.6023 21.6023 24.8020 24.8020 k = 0.0222 0.0128 0.0091 ( 4672 PWs) bands (ev): -52.0912 -52.0912 -52.0539 -52.0539 -35.9610 -35.9610 -24.7469 -24.7469 -24.6392 -24.6392 -21.5971 -21.5971 -21.5970 -21.5970 -21.4587 -21.4587 -21.4586 -21.4586 -13.5267 -13.5267 -11.4251 -11.4251 -11.4250 -11.4250 10.5082 10.5082 14.3210 14.3210 14.3212 14.3212 15.1596 15.1596 15.1696 15.1696 15.1785 15.1785 17.1307 17.1307 17.1351 17.1351 17.1481 17.1481 19.4960 19.4960 19.4982 19.4982 19.5045 19.5045 19.9820 19.9820 19.9825 19.9825 21.5989 21.5989 21.5993 21.5993 24.7782 24.7782 k = 0.0333 0.0192 0.0136 ( 4672 PWs) bands (ev): -52.0912 -52.0912 -52.0540 -52.0540 -35.9610 -35.9610 -24.7467 -24.7467 -24.6394 -24.6394 -21.5970 -21.5970 -21.5968 -21.5968 -21.4590 -21.4590 -21.4588 -21.4588 -13.5266 -13.5266 -11.4252 -11.4252 -11.4249 -11.4249 10.5174 10.5174 14.3215 14.3215 14.3219 14.3219 15.1525 15.1525 15.1767 15.1767 15.1847 15.1847 17.1282 17.1282 17.1348 17.1348 17.1533 17.1533 19.4614 19.4614 19.4644 19.4644 19.4753 19.4753 20.0118 20.0118 20.0127 20.0127 21.5934 21.5934 21.5944 21.5944 24.7488 24.7488 k = 0.0444 0.0257 0.0181 ( 4672 PWs) bands (ev): -52.0911 -52.0911 -52.0541 -52.0541 -35.9611 -35.9611 -24.7465 -24.7465 -24.6396 -24.6396 -21.5968 -21.5968 -21.5966 -21.5966 -21.4593 -21.4593 -21.4590 -21.4590 -13.5265 -13.5265 -11.4253 -11.4253 -11.4248 -11.4248 10.5304 10.5304 14.3224 14.3224 14.3230 14.3230 15.1422 15.1422 15.1866 15.1866 15.1941 15.1941 17.1247 17.1247 17.1323 17.1323 17.1624 17.1624 19.4187 19.4187 19.4227 19.4227 19.4352 19.4352 20.0479 20.0479 20.0493 20.0493 21.5860 21.5860 21.5877 21.5877 24.7197 24.7197 k = 0.0556 0.0321 0.0227 ( 4678 PWs) bands (ev): -52.0910 -52.0910 -52.0542 -52.0542 -35.9611 -35.9611 -24.7463 -24.7463 -24.6398 -24.6398 -21.5967 -21.5967 -21.5962 -21.5962 -21.4597 -21.4597 -21.4592 -21.4592 -13.5264 -13.5264 -11.4254 -11.4254 -11.4246 -11.4246 10.5470 10.5470 14.3235 14.3235 14.3246 14.3246 15.1292 15.1292 15.1992 15.1992 15.2062 15.2062 17.1202 17.1202 17.1282 17.1282 17.1744 17.1744 19.3703 19.3703 19.3755 19.3755 19.3849 19.3849 20.0878 20.0878 20.0896 20.0896 21.5766 21.5766 21.5793 21.5793 24.6939 24.6939 k = 0.0667 0.0385 0.0272 ( 4690 PWs) bands (ev): -52.0908 -52.0908 -52.0543 -52.0543 -35.9612 -35.9612 -24.7461 -24.7461 -24.6401 -24.6401 -21.5965 -21.5965 -21.5959 -21.5959 -21.4602 -21.4602 -21.4595 -21.4595 -13.5262 -13.5262 -11.4256 -11.4256 -11.4245 -11.4245 10.5672 10.5672 14.3251 14.3251 14.3267 14.3267 15.1138 15.1138 15.2143 15.2143 15.2208 15.2208 17.1147 17.1147 17.1229 17.1229 17.1885 17.1885 19.3177 19.3177 19.3244 19.3244 19.3255 19.3255 20.1296 20.1296 20.1319 20.1319 21.5657 21.5657 21.5694 21.5694 24.6729 24.6729 k = 0.0778 0.0449 0.0318 ( 4696 PWs) bands (ev): -52.0907 -52.0907 -52.0544 -52.0544 -35.9613 -35.9613 -24.7457 -24.7457 -24.6405 -24.6405 -21.5962 -21.5962 -21.5954 -21.5954 -21.4608 -21.4608 -21.4599 -21.4599 -13.5260 -13.5260 -11.4257 -11.4257 -11.4243 -11.4243 10.5910 10.5910 14.3272 14.3272 14.3293 14.3293 15.0964 15.0964 15.2318 15.2318 15.2379 15.2379 17.1084 17.1084 17.1166 17.1166 17.2040 17.2040 19.2558 19.2558 19.2641 19.2641 19.2707 19.2707 20.1723 20.1723 20.1751 20.1751 21.5532 21.5532 21.5583 21.5583 24.6572 24.6572 k = 0.0889 0.0513 0.0363 ( 4711 PWs) bands (ev): -52.0905 -52.0905 -52.0546 -52.0546 -35.9614 -35.9614 -24.7454 -24.7454 -24.6409 -24.6409 -21.5959 -21.5959 -21.5949 -21.5949 -21.4615 -21.4615 -21.4603 -21.4603 -13.5258 -13.5258 -11.4259 -11.4259 -11.4240 -11.4240 10.6184 10.6184 14.3299 14.3299 14.3325 14.3325 15.0773 15.0773 15.2516 15.2516 15.2571 15.2571 17.1012 17.1012 17.1094 17.1094 17.2203 17.2203 19.1808 19.1808 19.2065 19.2065 19.2149 19.2149 20.2150 20.2150 20.2182 20.2182 21.5397 21.5397 21.5460 21.5460 24.6467 24.6467 k = 0.1000 0.0577 0.0408 ( 4705 PWs) bands (ev): -52.0903 -52.0903 -52.0548 -52.0548 -35.9615 -35.9615 -24.7449 -24.7449 -24.6414 -24.6414 -21.5954 -21.5954 -21.5942 -21.5942 -21.4622 -21.4622 -21.4608 -21.4608 -13.5256 -13.5256 -11.4262 -11.4262 -11.4238 -11.4238 10.6492 10.6492 14.3332 14.3332 14.3365 14.3365 15.0570 15.0570 15.2734 15.2734 15.2785 15.2785 17.0932 17.0932 17.1014 17.1014 17.2367 17.2367 19.0992 19.0992 19.1476 19.1476 19.1576 19.1576 20.2572 20.2572 20.2608 20.2608 21.5252 21.5252 21.5330 21.5330 24.6413 24.6413 k = 0.1111 0.0642 0.0454 ( 4717 PWs) bands (ev): -52.0901 -52.0901 -52.0550 -52.0550 -35.9616 -35.9616 -24.7443 -24.7443 -24.6420 -24.6420 -21.5949 -21.5949 -21.5935 -21.5935 -21.4631 -21.4631 -21.4614 -21.4614 -13.5253 -13.5253 -11.4264 -11.4264 -11.4235 -11.4235 10.6834 10.6834 14.3373 14.3373 14.3413 14.3413 15.0358 15.0358 15.2972 15.2972 15.3016 15.3016 17.0845 17.0845 17.0927 17.0927 17.2524 17.2524 19.0127 19.0127 19.0876 19.0876 19.0991 19.0991 20.2982 20.2982 20.3024 20.3024 21.5102 21.5102 21.5195 21.5195 24.6405 24.6405 k = 0.1222 0.0706 0.0499 ( 4717 PWs) bands (ev): -52.0898 -52.0898 -52.0552 -52.0552 -35.9617 -35.9617 -24.7438 -24.7438 -24.6426 -24.6426 -21.5944 -21.5944 -21.5927 -21.5927 -21.4641 -21.4641 -21.4620 -21.4620 -13.5251 -13.5251 -11.4267 -11.4267 -11.4232 -11.4232 10.7210 10.7210 14.3422 14.3422 14.3470 14.3470 15.0139 15.0139 15.3228 15.3228 15.3265 15.3265 17.0751 17.0751 17.0833 17.0833 17.2665 17.2665 18.9229 18.9229 19.0265 19.0265 19.0396 19.0396 20.3378 20.3378 20.3426 20.3426 21.4949 21.4949 21.5057 21.5057 24.6438 24.6438 k = 0.1333 0.0770 0.0544 ( 4723 PWs) bands (ev): -52.0896 -52.0896 -52.0554 -52.0554 -35.9618 -35.9618 -24.7431 -24.7431 -24.6433 -24.6433 -21.5938 -21.5938 -21.5919 -21.5919 -21.4651 -21.4651 -21.4627 -21.4627 -13.5248 -13.5248 -11.4270 -11.4270 -11.4229 -11.4229 10.7618 10.7618 14.3481 14.3481 14.3536 14.3536 14.9919 14.9919 15.3499 15.3499 15.3529 15.3529 17.0651 17.0651 17.0734 17.0734 17.2780 17.2780 18.8312 18.8312 18.9646 18.9646 18.9793 18.9793 20.3757 20.3757 20.3811 20.3811 21.4798 21.4798 21.4921 21.4921 24.6505 24.6505 k = 0.1444 0.0834 0.0590 ( 4729 PWs) bands (ev): -52.0893 -52.0893 -52.0557 -52.0557 -35.9620 -35.9620 -24.7424 -24.7424 -24.6440 -24.6440 -21.5931 -21.5931 -21.5910 -21.5910 -21.4662 -21.4662 -21.4635 -21.4635 -13.5244 -13.5244 -11.4273 -11.4273 -11.4225 -11.4225 10.8058 10.8058 14.3548 14.3548 14.3613 14.3613 14.9699 14.9699 15.3784 15.3784 15.3806 15.3806 17.0546 17.0546 17.0629 17.0629 17.2856 17.2856 18.7392 18.7392 18.9021 18.9021 18.9183 18.9183 20.4115 20.4115 20.4177 20.4177 21.4652 21.4652 21.4788 21.4788 24.6599 24.6599 k = 0.1556 0.0898 0.0635 ( 4732 PWs) bands (ev): -52.0890 -52.0890 -52.0560 -52.0560 -35.9621 -35.9621 -24.7417 -24.7417 -24.6448 -24.6448 -21.5924 -21.5924 -21.5901 -21.5901 -21.4674 -21.4674 -21.4642 -21.4642 -13.5241 -13.5241 -11.4276 -11.4276 -11.4221 -11.4221 10.8529 10.8529 14.3626 14.3626 14.3700 14.3700 14.9482 14.9482 15.4081 15.4081 15.4094 15.4094 17.0436 17.0436 17.0522 17.0522 17.2882 17.2882 18.6489 18.6489 18.8390 18.8390 18.8568 18.8568 20.4449 20.4449 20.4521 20.4521 21.4515 21.4515 21.4662 21.4662 24.6713 24.6713 k = 0.1667 0.0962 0.0680 ( 4729 PWs) bands (ev): -52.0887 -52.0887 -52.0563 -52.0563 -35.9623 -35.9623 -24.7409 -24.7409 -24.6456 -24.6456 -21.5915 -21.5915 -21.5890 -21.5890 -21.4687 -21.4687 -21.4652 -21.4652 -13.5237 -13.5237 -11.4279 -11.4279 -11.4217 -11.4217 10.9029 10.9029 14.3715 14.3715 14.3798 14.3798 14.9270 14.9270 15.4388 15.4388 15.4391 15.4391 17.0322 17.0322 17.0411 17.0411 17.2843 17.2843 18.5620 18.5620 18.7756 18.7756 18.7948 18.7948 20.4757 20.4757 20.4842 20.4842 21.4390 21.4390 21.4545 21.4545 24.6842 24.6842 k = 0.1778 0.1026 0.0726 ( 4723 PWs) bands (ev): -52.0883 -52.0883 -52.0566 -52.0566 -35.9624 -35.9624 -24.7400 -24.7400 -24.6464 -24.6464 -21.5907 -21.5907 -21.5879 -21.5879 -21.4700 -21.4700 -21.4661 -21.4661 -13.5234 -13.5234 -11.4283 -11.4283 -11.4213 -11.4213 10.9559 10.9559 14.3814 14.3814 14.3908 14.3908 14.9066 14.9066 15.4695 15.4695 15.4704 15.4704 17.0206 17.0206 17.0298 17.0298 17.2722 17.2722 18.4806 18.4806 18.7120 18.7120 18.7324 18.7324 20.5036 20.5036 20.5136 20.5136 21.4281 21.4281 21.4442 21.4442 24.6977 24.6977 k = 0.1889 0.1091 0.0771 ( 4738 PWs) bands (ev): -52.0879 -52.0879 -52.0570 -52.0570 -35.9626 -35.9626 -24.7391 -24.7391 -24.6475 -24.6475 -21.5897 -21.5897 -21.5867 -21.5867 -21.4715 -21.4715 -21.4672 -21.4672 -13.5230 -13.5230 -11.4286 -11.4286 -11.4209 -11.4209 11.0116 11.0116 14.3925 14.3925 14.4030 14.4030 14.8870 14.8870 15.5004 15.5004 15.5025 15.5025 17.0088 17.0088 17.0183 17.0183 17.2507 17.2507 18.4064 18.4064 18.6485 18.6485 18.6698 18.6698 20.5286 20.5286 20.5403 20.5403 21.4190 21.4190 21.4353 21.4353 24.7112 24.7112 k = 0.2000 0.1155 0.0816 ( 4744 PWs) bands (ev): -52.0876 -52.0876 -52.0573 -52.0573 -35.9628 -35.9628 -24.7382 -24.7382 -24.6485 -24.6485 -21.5887 -21.5887 -21.5854 -21.5854 -21.4730 -21.4730 -21.4683 -21.4683 -13.5226 -13.5226 -11.4290 -11.4290 -11.4205 -11.4205 11.0699 11.0699 14.4047 14.4047 14.4163 14.4163 14.8685 14.8685 15.5316 15.5316 15.5351 15.5351 16.9970 16.9970 17.0067 17.0067 17.2186 17.2186 18.3407 18.3407 18.5853 18.5853 18.6069 18.6069 20.5503 20.5503 20.5642 20.5642 21.4122 21.4122 21.4282 21.4282 24.7239 24.7239 k = 0.2111 0.1219 0.0862 ( 4729 PWs) bands (ev): -52.0871 -52.0871 -52.0577 -52.0577 -35.9629 -35.9629 -24.7371 -24.7371 -24.6495 -24.6495 -21.5875 -21.5875 -21.5841 -21.5841 -21.4745 -21.4745 -21.4695 -21.4695 -13.5222 -13.5222 -11.4294 -11.4294 -11.4200 -11.4200 11.1307 11.1307 14.4180 14.4180 14.4308 14.4308 14.8509 14.8509 15.5629 15.5629 15.5679 15.5679 16.9851 16.9851 16.9948 16.9948 17.1757 17.1757 18.2844 18.2844 18.5228 18.5228 18.5440 18.5440 20.5688 20.5688 20.5851 20.5851 21.4077 21.4077 21.4230 21.4230 24.7342 24.7342 k = 0.2222 0.1283 0.0907 ( 4735 PWs) bands (ev): -52.0867 -52.0867 -52.0581 -52.0581 -35.9631 -35.9631 -24.7360 -24.7360 -24.6506 -24.6506 -21.5864 -21.5864 -21.5827 -21.5827 -21.4761 -21.4761 -21.4708 -21.4708 -13.5218 -13.5218 -11.4297 -11.4297 -11.4196 -11.4196 11.1939 11.1939 14.4325 14.4325 14.4465 14.4465 14.8344 14.8344 15.5941 15.5941 15.6008 15.6008 16.9734 16.9734 16.9822 16.9822 17.1229 17.1229 18.2370 18.2370 18.4616 18.4616 18.4810 18.4810 20.5840 20.5840 20.6030 20.6030 21.4057 21.4057 21.4197 21.4197 24.7353 24.7353 k = 0.2333 0.1347 0.0953 ( 4735 PWs) bands (ev): -52.0863 -52.0863 -52.0585 -52.0585 -35.9633 -35.9633 -24.7349 -24.7349 -24.6518 -24.6518 -21.5851 -21.5851 -21.5812 -21.5812 -21.4778 -21.4778 -21.4722 -21.4722 -13.5213 -13.5213 -11.4301 -11.4301 -11.4191 -11.4191 11.2594 11.2594 14.4480 14.4480 14.4633 14.4633 14.8189 14.8189 15.6249 15.6249 15.6335 15.6335 16.9618 16.9618 16.9669 16.9669 17.0634 17.0634 18.1970 18.1970 18.4026 18.4026 18.4182 18.4182 20.5960 20.5960 20.6180 20.6180 21.4063 21.4063 21.4185 21.4185 24.6552 24.6552 k = 0.2444 0.1411 0.0998 ( 4735 PWs) bands (ev): -52.0858 -52.0858 -52.0590 -52.0590 -35.9635 -35.9635 -24.7336 -24.7336 -24.6530 -24.6530 -21.5837 -21.5837 -21.5797 -21.5797 -21.4796 -21.4796 -21.4737 -21.4737 -13.5209 -13.5209 -11.4305 -11.4305 -11.4187 -11.4187 11.3268 11.3268 14.4647 14.4647 14.4812 14.4812 14.8041 14.8041 15.6551 15.6551 15.6659 15.6659 16.9396 16.9396 16.9506 16.9506 17.0081 17.0081 18.1618 18.1618 18.3474 18.3474 18.3556 18.3556 20.6049 20.6049 20.6301 20.6301 21.4093 21.4093 21.4194 21.4194 24.4750 24.4750 k = 0.2556 0.1475 0.1043 ( 4729 PWs) bands (ev): -52.0853 -52.0853 -52.0594 -52.0594 -35.9636 -35.9636 -24.7324 -24.7324 -24.6542 -24.6542 -21.5822 -21.5822 -21.5782 -21.5782 -21.4814 -21.4814 -21.4752 -21.4752 -13.5205 -13.5205 -11.4309 -11.4309 -11.4182 -11.4182 11.3962 11.3962 14.4823 14.4823 14.5002 14.5002 14.7900 14.7900 15.6846 15.6846 15.6977 15.6977 16.8825 16.8825 16.9398 16.9398 16.9772 16.9772 18.1277 18.1277 18.2934 18.2934 18.2982 18.2982 20.6109 20.6109 20.6396 20.6396 21.4147 21.4147 21.4221 21.4221 24.2867 24.2867 k = 0.2667 0.1540 0.1089 ( 4723 PWs) bands (ev): -52.0849 -52.0849 -52.0599 -52.0599 -35.9638 -35.9638 -24.7310 -24.7310 -24.6556 -24.6556 -21.5806 -21.5806 -21.5765 -21.5765 -21.4832 -21.4832 -21.4769 -21.4769 -13.5201 -13.5201 -11.4312 -11.4312 -11.4177 -11.4177 11.4674 11.4674 14.5008 14.5008 14.5201 14.5201 14.7763 14.7763 15.7131 15.7131 15.7289 15.7289 16.8063 16.8063 16.9294 16.9294 16.9623 16.9623 18.0905 18.0905 18.2317 18.2317 18.2576 18.2576 20.6144 20.6144 20.6465 20.6465 21.4222 21.4222 21.4267 21.4267 24.1011 24.1011 k = 0.2778 0.1604 0.1134 ( 4717 PWs) bands (ev): -52.0843 -52.0843 -52.0604 -52.0604 -35.9640 -35.9640 -24.7297 -24.7297 -24.6569 -24.6569 -21.5790 -21.5790 -21.5748 -21.5748 -21.4851 -21.4851 -21.4786 -21.4786 -13.5196 -13.5196 -11.4316 -11.4316 -11.4173 -11.4173 11.5401 11.5401 14.5203 14.5203 14.5409 14.5409 14.7624 14.7624 15.7405 15.7405 15.7591 15.7591 16.7243 16.7243 16.9195 16.9195 16.9521 16.9521 18.0476 18.0476 18.1708 18.1708 18.2270 18.2270 20.6155 20.6155 20.6512 20.6512 21.4315 21.4315 21.4329 21.4329 23.9201 23.9201 k = 0.2889 0.1668 0.1179 ( 4720 PWs) bands (ev): -52.0838 -52.0838 -52.0609 -52.0609 -35.9642 -35.9642 -24.7283 -24.7283 -24.6584 -24.6584 -21.5772 -21.5772 -21.5731 -21.5731 -21.4871 -21.4871 -21.4804 -21.4804 -13.5192 -13.5192 -11.4319 -11.4319 -11.4168 -11.4168 11.6142 11.6142 14.5405 14.5405 14.5623 14.5623 14.7482 14.7482 15.7666 15.7666 15.7883 15.7883 16.6413 16.6413 16.9102 16.9102 16.9440 16.9440 17.9991 17.9991 18.1107 18.1107 18.2050 18.2050 20.6147 20.6147 20.6538 20.6538 21.4404 21.4404 21.4425 21.4425 23.7446 23.7446 k = 0.3000 0.1732 0.1225 ( 4720 PWs) bands (ev): -52.0833 -52.0833 -52.0614 -52.0614 -35.9643 -35.9643 -24.7268 -24.7268 -24.6599 -24.6599 -21.5754 -21.5754 -21.5713 -21.5713 -21.4891 -21.4891 -21.4824 -21.4824 -13.5188 -13.5188 -11.4323 -11.4323 -11.4164 -11.4164 11.6895 11.6895 14.5614 14.5614 14.5841 14.5841 14.7330 14.7330 15.7912 15.7912 15.8164 15.8164 16.5598 16.5598 16.9015 16.9015 16.9371 16.9371 17.9470 17.9470 18.0518 18.0518 18.1889 18.1889 20.6123 20.6123 20.6547 20.6547 21.4491 21.4491 21.4547 21.4547 23.5752 23.5752 k = 0.3111 0.1796 0.1270 ( 4720 PWs) bands (ev): -52.0827 -52.0827 -52.0619 -52.0619 -35.9645 -35.9645 -24.7253 -24.7253 -24.6614 -24.6614 -21.5735 -21.5735 -21.5695 -21.5695 -21.4912 -21.4912 -21.4844 -21.4844 -13.5184 -13.5184 -11.4326 -11.4326 -11.4159 -11.4159 11.7658 11.7658 14.5829 14.5829 14.6058 14.6058 14.7168 14.7168 15.8141 15.8141 15.8431 15.8431 16.4818 16.4818 16.8934 16.8934 16.9311 16.9311 17.8934 17.8934 17.9943 17.9943 18.1760 18.1760 20.6086 20.6086 20.6542 20.6542 21.4587 21.4587 21.4679 21.4679 23.4124 23.4124 k = 0.3222 0.1860 0.1315 ( 4720 PWs) bands (ev): -52.0822 -52.0822 -52.0624 -52.0624 -35.9647 -35.9647 -24.7237 -24.7237 -24.6630 -24.6630 -21.5716 -21.5716 -21.5676 -21.5676 -21.4933 -21.4933 -21.4864 -21.4864 -13.5180 -13.5180 -11.4329 -11.4329 -11.4155 -11.4155 11.8429 11.8429 14.6048 14.6048 14.6257 14.6257 14.7003 14.7003 15.8353 15.8353 15.8683 15.8683 16.4087 16.4087 16.8859 16.8859 16.9258 16.9258 17.8396 17.8396 17.9383 17.9383 18.1646 18.1646 20.6040 20.6040 20.6524 20.6524 21.4690 21.4690 21.4818 21.4818 23.2567 23.2567 k = 0.3333 0.1925 0.1361 ( 4729 PWs) bands (ev): -52.0816 -52.0816 -52.0630 -52.0630 -35.9648 -35.9648 -24.7221 -24.7221 -24.6646 -24.6646 -21.5695 -21.5695 -21.5657 -21.5657 -21.4955 -21.4955 -21.4886 -21.4886 -13.5176 -13.5176 -11.4333 -11.4333 -11.4151 -11.4151 11.9205 11.9205 14.6270 14.6270 14.6372 14.6372 14.6894 14.6894 15.8545 15.8545 15.8921 15.8921 16.3421 16.3421 16.8789 16.8789 16.9211 16.9211 17.7867 17.7867 17.8843 17.8843 18.1533 18.1533 20.5985 20.5985 20.6496 20.6496 21.4796 21.4796 21.4961 21.4961 23.1087 23.1087 k = 0.3444 0.1989 0.1406 ( 4705 PWs) bands (ev): -52.0810 -52.0810 -52.0635 -52.0635 -35.9650 -35.9650 -24.7204 -24.7204 -24.6662 -24.6662 -21.5674 -21.5674 -21.5637 -21.5637 -21.4976 -21.4976 -21.4907 -21.4907 -13.5172 -13.5172 -11.4336 -11.4336 -11.4147 -11.4147 11.9984 11.9984 14.6268 14.6268 14.6493 14.6493 14.6966 14.6966 15.8718 15.8718 15.9142 15.9142 16.2831 16.2831 16.8725 16.8725 16.9167 16.9167 17.7354 17.7354 17.8323 17.8323 18.1414 18.1414 20.5926 20.5926 20.6462 20.6462 21.4905 21.4905 21.5106 21.5106 22.9686 22.9686 k = 0.3556 0.2053 0.1452 ( 4705 PWs) bands (ev): -52.0804 -52.0804 -52.0641 -52.0641 -35.9651 -35.9651 -24.7187 -24.7187 -24.6679 -24.6679 -21.5652 -21.5652 -21.5617 -21.5617 -21.4998 -21.4998 -21.4930 -21.4930 -13.5169 -13.5169 -11.4338 -11.4338 -11.4143 -11.4143 12.0763 12.0763 14.6001 14.6001 14.6715 14.6715 14.7157 14.7157 15.8869 15.8869 15.9347 15.9347 16.2326 16.2326 16.8664 16.8664 16.9125 16.9125 17.6863 17.6863 17.7828 17.7828 18.1285 18.1285 20.5865 20.5865 20.6421 20.6421 21.5014 21.5014 21.5250 21.5250 22.8371 22.8371 k = 0.3667 0.2117 0.1497 ( 4705 PWs) bands (ev): -52.0798 -52.0798 -52.0647 -52.0647 -35.9653 -35.9653 -24.7170 -24.7170 -24.6697 -24.6697 -21.5630 -21.5630 -21.5596 -21.5596 -21.5020 -21.5020 -21.4953 -21.4953 -13.5165 -13.5165 -11.4341 -11.4341 -11.4140 -11.4140 12.1538 12.1538 14.5655 14.5655 14.6935 14.6935 14.7378 14.7378 15.8999 15.8999 15.9535 15.9535 16.1911 16.1911 16.8608 16.8608 16.9082 16.9082 17.6400 17.6400 17.7360 17.7360 18.1142 18.1142 20.5802 20.5802 20.6377 20.6377 21.5121 21.5121 21.5392 21.5392 22.7143 22.7143 k = 0.3778 0.2181 0.1542 ( 4705 PWs) bands (ev): -52.0792 -52.0792 -52.0653 -52.0653 -35.9654 -35.9654 -24.7152 -24.7152 -24.6714 -24.6714 -21.5607 -21.5607 -21.5575 -21.5575 -21.5043 -21.5043 -21.4977 -21.4977 -13.5162 -13.5162 -11.4343 -11.4343 -11.4137 -11.4137 12.2307 12.2307 14.5254 14.5254 14.7150 14.7150 14.7605 14.7605 15.9108 15.9108 15.9706 15.9706 16.1587 16.1587 16.8553 16.8553 16.9036 16.9036 17.5968 17.5968 17.6922 17.6922 18.0985 18.0985 20.5739 20.5739 20.6331 20.6331 21.5225 21.5225 21.5529 21.5529 22.6007 22.6007 k = 0.3889 0.2245 0.1588 ( 4702 PWs) bands (ev): -52.0786 -52.0786 -52.0659 -52.0659 -35.9655 -35.9655 -24.7134 -24.7134 -24.6732 -24.6732 -21.5583 -21.5583 -21.5554 -21.5554 -21.5066 -21.5066 -21.5002 -21.5002 -13.5159 -13.5159 -11.4346 -11.4346 -11.4133 -11.4133 12.3063 12.3063 14.4806 14.4806 14.7357 14.7357 14.7830 14.7830 15.9197 15.9197 15.9860 15.9860 16.1350 16.1350 16.8501 16.8501 16.8986 16.8986 17.5573 17.5573 17.6516 17.6516 18.0816 18.0816 20.5679 20.5679 20.6285 20.6285 21.5323 21.5323 21.5660 21.5660 22.4965 22.4965 k = 0.4000 0.2309 0.1633 ( 4702 PWs) bands (ev): -52.0780 -52.0780 -52.0665 -52.0665 -35.9656 -35.9656 -24.7116 -24.7116 -24.6751 -24.6751 -21.5559 -21.5559 -21.5533 -21.5533 -21.5088 -21.5088 -21.5026 -21.5026 -13.5156 -13.5156 -11.4348 -11.4348 -11.4131 -11.4131 12.3803 12.3803 14.4323 14.4323 14.7555 14.7555 14.8047 14.8047 15.9269 15.9269 15.9998 15.9998 16.1193 16.1193 16.8450 16.8450 16.8930 16.8930 17.5216 17.5216 17.6145 17.6145 18.0637 18.0637 20.5621 20.5621 20.6239 20.6239 21.5416 21.5416 21.5783 21.5783 22.4020 22.4020 k = 0.4111 0.2374 0.1678 ( 4702 PWs) bands (ev): -52.0774 -52.0774 -52.0671 -52.0671 -35.9657 -35.9657 -24.7098 -24.7098 -24.6769 -24.6769 -21.5535 -21.5535 -21.5511 -21.5511 -21.5111 -21.5111 -21.5051 -21.5051 -13.5154 -13.5154 -11.4350 -11.4350 -11.4128 -11.4128 12.4519 12.4519 14.3814 14.3814 14.7742 14.7742 14.8253 14.8253 15.9329 15.9329 16.0120 16.0120 16.1102 16.1102 16.8399 16.8399 16.8868 16.8868 17.4900 17.4900 17.5811 17.5811 18.0451 18.0451 20.5568 20.5568 20.6195 20.6195 21.5501 21.5501 21.5898 21.5898 22.3173 22.3173 k = 0.4222 0.2438 0.1724 ( 4705 PWs) bands (ev): -52.0767 -52.0767 -52.0677 -52.0677 -35.9658 -35.9658 -24.7080 -24.7080 -24.6787 -24.6787 -21.5511 -21.5511 -21.5490 -21.5490 -21.5134 -21.5134 -21.5075 -21.5075 -13.5152 -13.5152 -11.4351 -11.4351 -11.4126 -11.4126 12.5202 12.5202 14.3295 14.3295 14.7914 14.7914 14.8444 14.8444 15.9379 15.9379 16.0227 16.0227 16.1064 16.1064 16.8350 16.8350 16.8802 16.8802 17.4627 17.4627 17.5516 17.5516 18.0265 18.0265 20.5519 20.5519 20.6154 20.6154 21.5577 21.5577 21.6001 21.6001 22.2425 22.2425 k = 0.4333 0.2502 0.1769 ( 4705 PWs) bands (ev): -52.0761 -52.0761 -52.0683 -52.0683 -35.9659 -35.9659 -24.7062 -24.7062 -24.6806 -24.6806 -21.5488 -21.5488 -21.5468 -21.5468 -21.5156 -21.5156 -21.5100 -21.5100 -13.5150 -13.5150 -11.4353 -11.4353 -11.4124 -11.4124 12.5844 12.5844 14.2780 14.2780 14.8069 14.8069 14.8618 14.8618 15.9424 15.9424 16.0318 16.0318 16.1063 16.1063 16.8302 16.8302 16.8733 16.8733 17.4395 17.4395 17.5260 17.5260 18.0083 18.0083 20.5475 20.5475 20.6116 20.6116 21.5644 21.5644 21.6094 21.6094 22.1779 22.1779 k = 0.4444 0.2566 0.1814 ( 4705 PWs) bands (ev): -52.0754 -52.0754 -52.0690 -52.0690 -35.9660 -35.9660 -24.7043 -24.7043 -24.6824 -24.6824 -21.5464 -21.5464 -21.5447 -21.5447 -21.5178 -21.5178 -21.5123 -21.5123 -13.5148 -13.5148 -11.4354 -11.4354 -11.4122 -11.4122 12.6431 12.6431 14.2290 14.2290 14.8205 14.8205 14.8771 14.8771 15.9464 15.9464 16.0395 16.0395 16.1087 16.1087 16.8258 16.8258 16.8665 16.8665 17.4204 17.4204 17.5045 17.5045 17.9914 17.9914 20.5437 20.5437 20.6083 20.6083 21.5701 21.5701 21.6174 21.6174 22.1233 22.1233 k = 0.4556 0.2630 0.1860 ( 4699 PWs) bands (ev): -52.0748 -52.0748 -52.0696 -52.0696 -35.9660 -35.9660 -24.7025 -24.7025 -24.6842 -24.6842 -21.5442 -21.5442 -21.5427 -21.5427 -21.5199 -21.5199 -21.5146 -21.5146 -13.5147 -13.5147 -11.4355 -11.4355 -11.4121 -11.4121 12.6948 12.6948 14.1845 14.1845 14.8319 14.8319 14.8900 14.8900 15.9499 15.9499 16.0457 16.0457 16.1123 16.1123 16.8218 16.8218 16.8600 16.8600 17.4052 17.4052 17.4870 17.4870 17.9763 17.9763 20.5406 20.5406 20.6055 20.6055 21.5747 21.5747 21.6240 21.6240 22.0787 22.0787 k = 0.4667 0.2694 0.1905 ( 4708 PWs) bands (ev): -52.0741 -52.0741 -52.0702 -52.0702 -35.9661 -35.9661 -24.7009 -24.7009 -24.6859 -24.6859 -21.5422 -21.5422 -21.5407 -21.5407 -21.5219 -21.5219 -21.5166 -21.5166 -13.5145 -13.5145 -11.4356 -11.4356 -11.4119 -11.4119 12.7378 12.7378 14.1465 14.1465 14.8411 14.8411 14.9004 14.9004 15.9528 15.9528 16.0505 16.0505 16.1163 16.1163 16.8184 16.8184 16.8544 16.8544 17.3937 17.3937 17.4734 17.4734 17.9637 17.9637 20.5381 20.5381 20.6033 20.6033 21.5783 21.5783 21.6293 21.6293 22.0442 22.0442 k = 0.4778 0.2758 0.1951 ( 4709 PWs) bands (ev): -52.0735 -52.0735 -52.0709 -52.0709 -35.9661 -35.9661 -24.6994 -24.6994 -24.6874 -24.6874 -21.5406 -21.5406 -21.5390 -21.5390 -21.5236 -21.5236 -21.5183 -21.5183 -13.5145 -13.5145 -11.4357 -11.4357 -11.4119 -11.4119 12.7703 12.7703 14.1173 14.1173 14.8477 14.8477 14.9080 14.9080 15.9550 15.9550 16.0540 16.0540 16.1197 16.1197 16.8158 16.8158 16.8501 16.8501 17.3857 17.3857 17.4638 17.4638 17.9542 17.9542 20.5363 20.5363 20.6017 20.6017 21.5809 21.5809 21.6331 21.6331 22.0196 22.0196 k = 0.4889 0.2823 0.1996 ( 4691 PWs) bands (ev): -52.0728 -52.0728 -52.0715 -52.0715 -35.9661 -35.9661 -24.6982 -24.6982 -24.6884 -24.6884 -21.5394 -21.5394 -21.5378 -21.5378 -21.5248 -21.5248 -21.5195 -21.5195 -13.5144 -13.5144 -11.4357 -11.4357 -11.4118 -11.4118 12.7906 12.7906 14.0989 14.0989 14.8517 14.8517 14.9126 14.9126 15.9564 15.9564 16.0560 16.0560 16.1220 16.1220 16.8142 16.8142 16.8473 16.8473 17.3810 17.3810 17.4580 17.4580 17.9483 17.9483 20.5352 20.5352 20.6007 20.6007 21.5824 21.5824 21.6354 21.6354 22.0049 22.0049 k = 0.5000 0.2887 0.2041 ( 4664 PWs) bands (ev): -52.0722 -52.0722 -52.0722 -52.0722 -35.9661 -35.9661 -24.6978 -24.6978 -24.6888 -24.6888 -21.5389 -21.5389 -21.5373 -21.5373 -21.5253 -21.5253 -21.5198 -21.5198 -13.5144 -13.5144 -11.4357 -11.4357 -11.4118 -11.4118 12.7975 12.7975 14.0926 14.0926 14.8531 14.8531 14.9141 14.9141 15.9568 15.9568 16.0567 16.0567 16.1229 16.1229 16.8137 16.8137 16.8464 16.8464 17.3794 17.3794 17.4561 17.4561 17.9463 17.9463 20.5349 20.5349 20.6004 20.6004 21.5829 21.5829 21.6361 21.6361 22.0000 22.0000 k = 0.5000 0.2887 0.2041 ( 4664 PWs) bands (ev): -52.0722 -52.0722 -52.0722 -52.0722 -35.9661 -35.9661 -24.6978 -24.6978 -24.6888 -24.6888 -21.5389 -21.5389 -21.5373 -21.5373 -21.5253 -21.5253 -21.5198 -21.5198 -13.5144 -13.5144 -11.4357 -11.4357 -11.4118 -11.4118 12.7975 12.7975 14.0926 14.0926 14.8531 14.8531 14.9141 14.9141 15.9568 15.9568 16.0567 16.0567 16.1229 16.1229 16.8137 16.8137 16.8464 16.8464 17.3794 17.3794 17.4561 17.4561 17.9463 17.9463 20.5349 20.5349 20.6004 20.6004 21.5829 21.5829 21.6361 21.6361 22.0000 22.0000 k = 0.5039 0.2774 0.2105 ( 4679 PWs) bands (ev): -52.0722 -52.0722 -52.0722 -52.0722 -35.9661 -35.9661 -24.6978 -24.6978 -24.6888 -24.6888 -21.5395 -21.5395 -21.5376 -21.5376 -21.5248 -21.5248 -21.5195 -21.5195 -13.5144 -13.5144 -11.4357 -11.4357 -11.4118 -11.4118 12.7967 12.7967 14.0935 14.0935 14.8539 14.8539 14.9149 14.9149 15.9562 15.9562 16.0561 16.0561 16.1210 16.1210 16.8165 16.8165 16.8493 16.8493 17.3787 17.3787 17.4553 17.4553 17.9473 17.9473 20.5350 20.5350 20.6006 20.6006 21.5804 21.5804 21.6336 21.6336 21.9993 21.9993 k = 0.5078 0.2661 0.2169 ( 4697 PWs) bands (ev): -52.0722 -52.0722 -52.0722 -52.0722 -35.9661 -35.9661 -24.6978 -24.6978 -24.6889 -24.6889 -21.5410 -21.5410 -21.5384 -21.5384 -21.5234 -21.5234 -21.5187 -21.5187 -13.5144 -13.5144 -11.4356 -11.4356 -11.4119 -11.4119 12.7944 12.7944 14.0962 14.0962 14.8564 14.8564 14.9171 14.9171 15.9544 15.9544 16.0540 16.0540 16.1160 16.1160 16.8244 16.8244 16.8582 16.8582 17.3765 17.3765 17.4530 17.4530 17.9503 17.9503 20.5356 20.5356 20.6014 20.6014 21.5727 21.5727 21.6266 21.6266 21.9970 21.9970 k = 0.5117 0.2548 0.2233 ( 4702 PWs) bands (ev): -52.0722 -52.0722 -52.0722 -52.0722 -35.9661 -35.9661 -24.6978 -24.6978 -24.6889 -24.6889 -21.5430 -21.5430 -21.5396 -21.5396 -21.5215 -21.5215 -21.5175 -21.5175 -13.5143 -13.5143 -11.4356 -11.4356 -11.4119 -11.4119 12.7904 12.7904 14.1008 14.1008 14.8602 14.8602 14.9209 14.9209 15.9511 15.9511 16.0501 16.0501 16.1095 16.1095 16.8364 16.8364 16.8734 16.8734 17.3727 17.3727 17.4492 17.4492 17.9552 17.9552 20.5365 20.5365 20.6026 20.6026 21.5590 21.5590 21.6161 21.6161 21.9934 21.9934 k = 0.5156 0.2436 0.2296 ( 4701 PWs) bands (ev): -52.0722 -52.0722 -52.0722 -52.0722 -35.9662 -35.9662 -24.6978 -24.6978 -24.6890 -24.6890 -21.5452 -21.5452 -21.5410 -21.5410 -21.5194 -21.5194 -21.5159 -21.5159 -13.5143 -13.5143 -11.4355 -11.4355 -11.4120 -11.4120 12.7851 12.7851 14.1070 14.1070 14.8652 14.8652 14.9262 14.9262 15.9462 15.9462 16.0436 16.0436 16.1037 16.1037 16.8512 16.8512 16.8946 16.8946 17.3675 17.3675 17.4440 17.4440 17.9621 17.9621 20.5376 20.5376 20.6042 20.6042 21.5385 21.5385 21.6035 21.6035 21.9886 21.9886 k = 0.5195 0.2323 0.2360 ( 4709 PWs) bands (ev): -52.0722 -52.0722 -52.0722 -52.0722 -35.9662 -35.9662 -24.6979 -24.6979 -24.6890 -24.6890 -21.5477 -21.5477 -21.5426 -21.5426 -21.5171 -21.5171 -21.5141 -21.5141 -13.5142 -13.5142 -11.4353 -11.4353 -11.4121 -11.4121 12.7784 12.7784 14.1149 14.1149 14.8706 14.8706 14.9332 14.9332 15.9395 15.9395 16.0339 16.0339 16.1012 16.1012 16.8685 16.8685 16.9207 16.9207 17.3608 17.3608 17.4378 17.4378 17.9710 17.9710 20.5387 20.5387 20.6062 20.6062 21.5110 21.5110 21.5898 21.5898 21.9829 21.9829 k = 0.5234 0.2210 0.2424 ( 4708 PWs) bands (ev): -52.0722 -52.0722 -52.0721 -52.0721 -35.9662 -35.9662 -24.6979 -24.6979 -24.6891 -24.6891 -21.5502 -21.5502 -21.5443 -21.5443 -21.5148 -21.5148 -21.5122 -21.5122 -13.5142 -13.5142 -11.4352 -11.4352 -11.4123 -11.4123 12.7706 12.7706 14.1244 14.1244 14.8756 14.8756 14.9422 14.9422 15.9307 15.9307 16.0215 16.0215 16.1035 16.1035 16.8879 16.8879 16.9505 16.9505 17.3528 17.3528 17.4307 17.4307 17.9818 17.9818 20.5396 20.5396 20.6085 20.6085 21.4772 21.4772 21.5754 21.5754 21.9765 21.9765 k = 0.5273 0.2097 0.2488 ( 4708 PWs) bands (ev): -52.0722 -52.0722 -52.0721 -52.0721 -35.9663 -35.9663 -24.6978 -24.6978 -24.6891 -24.6891 -21.5528 -21.5528 -21.5460 -21.5460 -21.5125 -21.5125 -21.5101 -21.5101 -13.5141 -13.5141 -11.4350 -11.4350 -11.4124 -11.4124 12.7617 12.7617 14.1353 14.1353 14.8794 14.8794 14.9536 14.9536 15.9199 15.9199 16.0075 16.0075 16.1108 16.1108 16.9092 16.9092 16.9823 16.9823 17.3436 17.3436 17.4233 17.4233 17.9945 17.9945 20.5402 20.5402 20.6109 20.6109 21.4381 21.4381 21.5602 21.5602 21.9694 21.9694 k = 0.5312 0.1985 0.2552 ( 4715 PWs) bands (ev): -52.0722 -52.0722 -52.0721 -52.0721 -35.9663 -35.9663 -24.6979 -24.6979 -24.6892 -24.6892 -21.5554 -21.5554 -21.5478 -21.5478 -21.5102 -21.5102 -21.5080 -21.5080 -13.5140 -13.5140 -11.4348 -11.4348 -11.4126 -11.4126 12.7520 12.7520 14.1476 14.1476 14.8810 14.8810 14.9676 14.9676 15.9075 15.9075 15.9931 15.9931 16.1232 16.1232 16.9319 16.9319 17.0146 17.0146 17.3336 17.3336 17.4161 17.4161 18.0090 18.0090 20.5402 20.5402 20.6132 20.6132 21.3952 21.3952 21.5444 21.5444 21.9617 21.9617 k = 0.5352 0.1872 0.2615 ( 4710 PWs) bands (ev): -52.0722 -52.0722 -52.0721 -52.0721 -35.9664 -35.9664 -24.6979 -24.6979 -24.6893 -24.6893 -21.5580 -21.5580 -21.5495 -21.5495 -21.5080 -21.5080 -21.5058 -21.5058 -13.5139 -13.5139 -11.4346 -11.4346 -11.4128 -11.4128 12.7416 12.7416 14.1611 14.1611 14.8797 14.8797 14.9846 14.9846 15.8939 15.8939 15.9789 15.9789 16.1410 16.1410 16.9554 16.9554 17.0458 17.0458 17.3234 17.3234 17.4099 17.4099 18.0249 18.0249 20.5393 20.5393 20.6153 20.6153 21.3494 21.3494 21.5283 21.5283 21.9535 21.9535 k = 0.5391 0.1759 0.2679 ( 4706 PWs) bands (ev): -52.0723 -52.0723 -52.0721 -52.0721 -35.9664 -35.9664 -24.6979 -24.6979 -24.6893 -24.6893 -21.5606 -21.5606 -21.5512 -21.5512 -21.5057 -21.5057 -21.5036 -21.5036 -13.5137 -13.5137 -11.4343 -11.4343 -11.4130 -11.4130 12.7306 12.7306 14.1758 14.1758 14.8752 14.8752 15.0043 15.0043 15.8796 15.8796 15.9652 15.9652 16.1643 16.1643 16.9789 16.9789 17.0741 17.0741 17.3140 17.3140 17.4059 17.4059 18.0422 18.0422 20.5372 20.5372 20.6168 20.6168 21.3021 21.3021 21.5121 21.5121 21.9448 21.9448 k = 0.5430 0.1646 0.2743 ( 4710 PWs) bands (ev): -52.0723 -52.0723 -52.0720 -52.0720 -35.9665 -35.9665 -24.6979 -24.6979 -24.6894 -24.6894 -21.5632 -21.5632 -21.5529 -21.5529 -21.5036 -21.5036 -21.5014 -21.5014 -13.5136 -13.5136 -11.4341 -11.4341 -11.4132 -11.4132 12.7193 12.7193 14.1914 14.1914 14.8673 14.8673 15.0269 15.0269 15.8653 15.8653 15.9520 15.9520 16.1932 16.1932 17.0013 17.0013 17.0971 17.0971 17.3069 17.3069 17.4054 17.4054 18.0606 18.0606 20.5336 20.5336 20.6175 20.6175 21.2543 21.2543 21.4962 21.4962 21.9356 21.9356 k = 0.5469 0.1534 0.2807 ( 4706 PWs) bands (ev): -52.0723 -52.0723 -52.0720 -52.0720 -35.9665 -35.9665 -24.6979 -24.6979 -24.6895 -24.6895 -21.5658 -21.5658 -21.5546 -21.5546 -21.5014 -21.5014 -21.4993 -21.4993 -13.5135 -13.5135 -11.4338 -11.4338 -11.4135 -11.4135 12.7078 12.7078 14.2080 14.2080 14.8561 14.8561 15.0520 15.0520 15.8511 15.8511 15.9393 15.9393 16.2278 16.2278 17.0210 17.0210 17.1126 17.1126 17.3041 17.3041 17.4100 17.4100 18.0797 18.0797 20.5283 20.5283 20.6171 20.6171 21.2071 21.2071 21.4811 21.4811 21.9259 21.9259 k = 0.5508 0.1421 0.2870 ( 4704 PWs) bands (ev): -52.0723 -52.0723 -52.0720 -52.0720 -35.9666 -35.9666 -24.6979 -24.6979 -24.6895 -24.6895 -21.5683 -21.5683 -21.5562 -21.5562 -21.4993 -21.4993 -21.4971 -21.4971 -13.5133 -13.5133 -11.4335 -11.4335 -11.4137 -11.4137 12.6962 12.6962 14.2252 14.2252 14.8417 14.8417 15.0795 15.0795 15.8374 15.8374 15.9272 15.9272 16.2682 16.2682 17.0363 17.0363 17.1191 17.1191 17.3073 17.3073 17.4207 17.4207 18.0991 18.0991 20.5209 20.5209 20.6150 20.6150 21.1613 21.1613 21.4673 21.4673 21.9157 21.9157 k = 0.5547 0.1308 0.2934 ( 4709 PWs) bands (ev): -52.0724 -52.0724 -52.0719 -52.0719 -35.9667 -35.9667 -24.6980 -24.6980 -24.6896 -24.6896 -21.5708 -21.5708 -21.5577 -21.5577 -21.4973 -21.4973 -21.4950 -21.4950 -13.5132 -13.5132 -11.4332 -11.4332 -11.4139 -11.4139 12.6846 12.6846 14.2431 14.2431 14.8246 14.8246 15.1093 15.1093 15.8242 15.8242 15.9155 15.9155 16.3141 16.3141 17.0455 17.0455 17.1167 17.1167 17.3179 17.3179 17.4379 17.4379 18.1187 18.1187 20.5111 20.5111 20.6112 20.6112 21.1179 21.1179 21.4554 21.4554 21.9050 21.9050 k = 0.5586 0.1195 0.2998 ( 4711 PWs) bands (ev): -52.0724 -52.0724 -52.0718 -52.0718 -35.9667 -35.9667 -24.6981 -24.6981 -24.6896 -24.6896 -21.5733 -21.5733 -21.5592 -21.5592 -21.4953 -21.4953 -21.4929 -21.4929 -13.5130 -13.5130 -11.4330 -11.4330 -11.4142 -11.4142 12.6731 12.6731 14.2614 14.2614 14.8050 14.8050 15.1414 15.1414 15.8115 15.8115 15.9044 15.9044 16.3653 16.3653 17.0475 17.0475 17.1073 17.1073 17.3357 17.3357 17.4604 17.4604 18.1379 18.1379 20.4987 20.4987 20.6051 20.6051 21.0776 21.0776 21.4457 21.4457 21.8939 21.8939 k = 0.5625 0.1083 0.3062 ( 4719 PWs) bands (ev): -52.0725 -52.0725 -52.0718 -52.0718 -35.9668 -35.9668 -24.6982 -24.6982 -24.6896 -24.6896 -21.5758 -21.5758 -21.5606 -21.5606 -21.4935 -21.4935 -21.4909 -21.4909 -13.5129 -13.5129 -11.4327 -11.4327 -11.4144 -11.4144 12.6619 12.6619 14.2800 14.2800 14.7836 14.7836 15.1755 15.1755 15.7994 15.7994 15.8938 15.8938 16.4211 16.4211 17.0426 17.0426 17.0931 17.0931 17.3602 17.3602 17.4869 17.4869 18.1564 18.1564 20.4836 20.4836 20.5967 20.5967 21.0408 21.0408 21.4388 21.4388 21.8825 21.8825 k = 0.5664 0.0970 0.3126 ( 4713 PWs) bands (ev): -52.0726 -52.0726 -52.0717 -52.0717 -35.9669 -35.9669 -24.6984 -24.6984 -24.6896 -24.6896 -21.5782 -21.5782 -21.5619 -21.5619 -21.4917 -21.4917 -21.4888 -21.4888 -13.5127 -13.5127 -11.4325 -11.4325 -11.4146 -11.4146 12.6509 12.6509 14.2987 14.2987 14.7608 14.7608 15.2117 15.2117 15.7876 15.7876 15.8837 15.8837 16.4809 16.4809 17.0317 17.0317 17.0759 17.0759 17.3902 17.3902 17.5157 17.5157 18.1738 18.1738 20.4655 20.4655 20.5861 20.5861 21.0079 21.0079 21.4350 21.4350 21.8708 21.8708 k = 0.5703 0.0857 0.3189 ( 4708 PWs) bands (ev): -52.0726 -52.0726 -52.0716 -52.0716 -35.9669 -35.9669 -24.6985 -24.6985 -24.6895 -24.6895 -21.5806 -21.5806 -21.5631 -21.5631 -21.4900 -21.4900 -21.4867 -21.4867 -13.5126 -13.5126 -11.4322 -11.4322 -11.4148 -11.4148 12.6403 12.6403 14.3172 14.3172 14.7373 14.7373 15.2499 15.2499 15.7763 15.7763 15.8742 15.8742 16.5436 16.5436 17.0157 17.0157 17.0576 17.0576 17.4244 17.4244 17.5456 17.5456 18.1900 18.1900 20.4445 20.4445 20.5733 20.5733 20.9788 20.9788 21.4346 21.4346 21.8590 21.8590 k = 0.5742 0.0744 0.3253 ( 4707 PWs) bands (ev): -52.0727 -52.0727 -52.0715 -52.0715 -35.9670 -35.9670 -24.6988 -24.6988 -24.6894 -24.6894 -21.5829 -21.5829 -21.5642 -21.5642 -21.4884 -21.4884 -21.4847 -21.4847 -13.5124 -13.5124 -11.4320 -11.4320 -11.4149 -11.4149 12.6300 12.6300 14.3353 14.3353 14.7135 14.7135 15.2899 15.2899 15.7653 15.7653 15.8653 15.8653 16.6079 16.6079 16.9956 16.9956 17.0401 17.0401 17.4618 17.4618 17.5759 17.5759 18.2046 18.2046 20.4206 20.4206 20.5590 20.5590 20.9532 20.9532 21.4378 21.4378 21.8472 21.8472 k = 0.5781 0.0631 0.3317 ( 4703 PWs) bands (ev): -52.0728 -52.0728 -52.0714 -52.0714 -35.9671 -35.9671 -24.6990 -24.6990 -24.6892 -24.6892 -21.5852 -21.5852 -21.5653 -21.5653 -21.4870 -21.4870 -21.4827 -21.4827 -13.5122 -13.5122 -11.4319 -11.4319 -11.4150 -11.4150 12.6202 12.6202 14.3526 14.3526 14.6901 14.6901 15.3317 15.3317 15.7547 15.7547 15.8570 15.8570 16.6713 16.6713 16.9719 16.9719 17.0260 17.0260 17.5015 17.5015 17.6060 17.6060 18.2174 18.2174 20.3939 20.3939 20.5438 20.5438 20.9306 20.9306 21.4446 21.4446 21.8358 21.8358 k = 0.5820 0.0519 0.3381 ( 4705 PWs) bands (ev): -52.0729 -52.0729 -52.0713 -52.0713 -35.9672 -35.9672 -24.6993 -24.6993 -24.6890 -24.6890 -21.5875 -21.5875 -21.5662 -21.5662 -21.4857 -21.4857 -21.4807 -21.4807 -13.5121 -13.5121 -11.4317 -11.4317 -11.4151 -11.4151 12.6108 12.6108 14.3689 14.3689 14.6676 14.6676 15.3751 15.3751 15.7444 15.7444 15.8493 15.8493 16.7297 16.7297 16.9451 16.9451 17.0192 17.0192 17.5426 17.5426 17.6356 17.6356 18.2282 18.2282 20.3647 20.3647 20.5282 20.5282 20.9104 20.9104 21.4551 21.4551 21.8247 21.8247 k = 0.5859 0.0406 0.3445 ( 4705 PWs) bands (ev): -52.0730 -52.0730 -52.0712 -52.0712 -35.9672 -35.9672 -24.6997 -24.6997 -24.6888 -24.6888 -21.5897 -21.5897 -21.5670 -21.5670 -21.4845 -21.4845 -21.4787 -21.4787 -13.5119 -13.5119 -11.4316 -11.4316 -11.4152 -11.4152 12.6017 12.6017 14.3836 14.3836 14.6464 14.6464 15.4201 15.4201 15.7345 15.7345 15.8422 15.8422 16.7764 16.7764 16.9159 16.9159 17.0257 17.0257 17.5845 17.5845 17.6650 17.6650 18.2371 18.2371 20.3333 20.3333 20.5130 20.5130 20.8922 20.8922 21.4693 21.4693 21.8145 21.8145 k = 0.5898 0.0293 0.3508 ( 4703 PWs) bands (ev): -52.0731 -52.0731 -52.0711 -52.0711 -35.9673 -35.9673 -24.7001 -24.7001 -24.6885 -24.6885 -21.5918 -21.5918 -21.5677 -21.5677 -21.4835 -21.4835 -21.4768 -21.4768 -13.5118 -13.5118 -11.4315 -11.4315 -11.4152 -11.4152 12.5931 12.5931 14.3964 14.3964 14.6272 14.6272 15.4664 15.4664 15.7252 15.7252 15.8358 15.8358 16.8037 16.8037 16.8852 16.8852 17.0517 17.0517 17.6262 17.6262 17.6949 17.6949 18.2440 18.2440 20.3000 20.3000 20.4986 20.4986 20.8754 20.8754 21.4870 21.4870 21.8052 21.8052 k = 0.5938 0.0180 0.3572 ( 4703 PWs) bands (ev): -52.0732 -52.0732 -52.0709 -52.0709 -35.9674 -35.9674 -24.7005 -24.7005 -24.6881 -24.6881 -21.5940 -21.5940 -21.5683 -21.5683 -21.4827 -21.4827 -21.4748 -21.4748 -13.5117 -13.5117 -11.4315 -11.4315 -11.4152 -11.4152 12.5849 12.5849 14.4068 14.4068 14.6102 14.6102 15.5138 15.5138 15.7165 15.7165 15.8301 15.8301 16.8103 16.8103 16.8541 16.8541 17.0965 17.0965 17.6667 17.6667 17.7263 17.7263 18.2491 18.2491 20.2651 20.2651 20.4854 20.4854 20.8599 20.8599 21.5082 21.5082 21.7971 21.7971 k = 0.5977 0.0068 0.3636 ( 4703 PWs) bands (ev): -52.0734 -52.0734 -52.0708 -52.0708 -35.9674 -35.9674 -24.7010 -24.7010 -24.6877 -24.6877 -21.5960 -21.5960 -21.5687 -21.5687 -21.4819 -21.4819 -21.4729 -21.4729 -13.5115 -13.5115 -11.4315 -11.4315 -11.4151 -11.4151 12.5771 12.5771 14.4144 14.4144 14.5957 14.5957 15.5620 15.5620 15.7087 15.7087 15.8252 15.8252 16.8001 16.8001 16.8255 16.8255 17.1521 17.1521 17.7051 17.7051 17.7609 17.7609 18.2527 18.2527 20.2290 20.2290 20.4736 20.4736 20.8458 20.8458 21.5326 21.5326 21.7905 21.7905 k = 0.6016-0.0045 0.3700 ( 4702 PWs) bands (ev): -52.0735 -52.0735 -52.0706 -52.0706 -35.9675 -35.9675 -24.7016 -24.7016 -24.6873 -24.6873 -21.5980 -21.5980 -21.5690 -21.5690 -21.4814 -21.4814 -21.4711 -21.4711 -13.5114 -13.5114 -11.4316 -11.4316 -11.4151 -11.4151 12.5696 12.5696 14.4193 14.4193 14.5837 14.5837 15.6104 15.6104 15.7022 15.7022 15.8212 15.8212 16.7750 16.7750 16.8041 16.8041 17.2100 17.2100 17.7416 17.7416 17.7994 17.7994 18.2550 18.2550 20.1922 20.1922 20.4632 20.4632 20.8332 20.8332 21.5601 21.5601 21.7855 21.7855 k = 0.6055-0.0158 0.3764 ( 4706 PWs) bands (ev): -52.0737 -52.0737 -52.0705 -52.0705 -35.9675 -35.9675 -24.7021 -24.7021 -24.6868 -24.6868 -21.6000 -21.6000 -21.5693 -21.5693 -21.4809 -21.4809 -21.4693 -21.4693 -13.5113 -13.5113 -11.4317 -11.4317 -11.4149 -11.4149 12.5624 12.5624 14.4217 14.4217 14.5735 14.5735 15.6573 15.6573 15.6981 15.6981 15.8186 15.8186 16.7430 16.7430 16.7855 16.7855 17.2647 17.2647 17.7782 17.7782 17.8410 17.8410 18.2568 18.2568 20.1549 20.1549 20.4542 20.4542 20.8225 20.8225 21.5905 21.5905 21.7821 21.7821 k = 0.6094-0.0271 0.3827 ( 4710 PWs) bands (ev): -52.0738 -52.0738 -52.0703 -52.0703 -35.9676 -35.9676 -24.7028 -24.7028 -24.6863 -24.6863 -21.6019 -21.6019 -21.5694 -21.5694 -21.4806 -21.4806 -21.4675 -21.4675 -13.5112 -13.5112 -11.4318 -11.4318 -11.4148 -11.4148 12.5555 12.5555 14.4222 14.4222 14.5643 14.5643 15.6866 15.6866 15.7112 15.7112 15.8187 15.8187 16.7095 16.7095 16.7662 16.7662 17.3120 17.3120 17.8173 17.8173 17.8844 17.8844 18.2589 18.2589 20.1176 20.1176 20.4466 20.4466 20.8142 20.8142 21.6234 21.6234 21.7804 21.7804 k = 0.6133-0.0383 0.3891 ( 4706 PWs) bands (ev): -52.0740 -52.0740 -52.0701 -52.0701 -35.9676 -35.9676 -24.7034 -24.7034 -24.6857 -24.6857 -21.6037 -21.6037 -21.5694 -21.5694 -21.4804 -21.4804 -21.4658 -21.4658 -13.5112 -13.5112 -11.4320 -11.4320 -11.4146 -11.4146 12.5489 12.5489 14.4216 14.4216 14.5550 14.5550 15.6880 15.6880 15.7473 15.7473 15.8258 15.8258 16.6764 16.6764 16.7458 16.7458 17.3492 17.3492 17.8599 17.8599 17.9286 17.9286 18.2627 18.2627 20.0805 20.0805 20.4403 20.4403 20.8087 20.8087 21.6582 21.6582 21.7804 21.7804 k = 0.6172-0.0496 0.3955 ( 4714 PWs) bands (ev): -52.0742 -52.0742 -52.0699 -52.0699 -35.9677 -35.9677 -24.7041 -24.7041 -24.6851 -24.6851 -21.6055 -21.6055 -21.5692 -21.5692 -21.4804 -21.4804 -21.4641 -21.4641 -13.5111 -13.5111 -11.4321 -11.4321 -11.4144 -11.4144 12.5425 12.5425 14.4208 14.4208 14.5444 14.5444 15.6890 15.6890 15.7698 15.7698 15.8485 15.8485 16.6446 16.6446 16.7243 16.7243 17.3755 17.3755 17.9049 17.9049 17.9731 17.9731 18.2702 18.2702 20.0440 20.0440 20.4354 20.4354 20.8065 20.8065 21.6934 21.6934 21.7826 21.7826 k = 0.6211-0.0609 0.4019 ( 4704 PWs) bands (ev): -52.0744 -52.0744 -52.0697 -52.0697 -35.9677 -35.9677 -24.7048 -24.7048 -24.6845 -24.6845 -21.6072 -21.6072 -21.5689 -21.5689 -21.4805 -21.4805 -21.4625 -21.4625 -13.5111 -13.5111 -11.4323 -11.4323 -11.4142 -11.4142 12.5362 12.5362 14.4203 14.4203 14.5316 14.5316 15.6921 15.6921 15.7768 15.7768 15.8854 15.8854 16.6151 16.6151 16.7015 16.7015 17.3914 17.3914 17.9488 17.9488 18.0174 18.0174 18.2844 18.2844 20.0083 20.0083 20.4320 20.4320 20.8077 20.8077 21.7246 21.7246 21.7887 21.7887 k = 0.6250-0.0722 0.4082 ( 4714 PWs) bands (ev): -52.0746 -52.0746 -52.0695 -52.0695 -35.9677 -35.9677 -24.7055 -24.7055 -24.6838 -24.6838 -21.6088 -21.6088 -21.5686 -21.5686 -21.4808 -21.4808 -21.4609 -21.4609 -13.5110 -13.5110 -11.4325 -11.4325 -11.4140 -11.4140 12.5301 12.5301 14.4205 14.4205 14.5163 14.5163 15.6977 15.6977 15.7772 15.7772 15.9262 15.9262 16.5894 16.5894 16.6772 16.6772 17.3984 17.3984 17.9871 17.9871 18.0612 18.0612 18.3087 18.3087 19.9739 19.9739 20.4304 20.4304 20.8125 20.8125 21.7374 21.7374 21.7897 21.7897 k = 0.6250-0.0722 0.4082 ( 4714 PWs) bands (ev): -52.0746 -52.0746 -52.0695 -52.0695 -35.9677 -35.9677 -24.7055 -24.7055 -24.6838 -24.6838 -21.6088 -21.6088 -21.5686 -21.5686 -21.4808 -21.4808 -21.4609 -21.4609 -13.5110 -13.5110 -11.4325 -11.4325 -11.4140 -11.4140 12.5301 12.5301 14.4205 14.4205 14.5163 14.5163 15.6977 15.6977 15.7772 15.7772 15.9262 15.9262 16.5894 16.5894 16.6772 16.6772 17.3984 17.3984 17.9871 17.9871 18.0612 18.0612 18.3087 18.3087 19.9739 19.9739 20.4304 20.4304 20.8125 20.8125 21.7374 21.7374 21.7897 21.7897 k = 0.6184-0.0684 0.4190 ( 4708 PWs) bands (ev): -52.0746 -52.0746 -52.0695 -52.0695 -35.9677 -35.9677 -24.7055 -24.7055 -24.6838 -24.6838 -21.6087 -21.6087 -21.5686 -21.5686 -21.4807 -21.4807 -21.4609 -21.4609 -13.5110 -13.5110 -11.4325 -11.4325 -11.4140 -11.4140 12.5305 12.5305 14.4201 14.4201 14.5153 14.5153 15.6902 15.6902 15.7808 15.7808 15.9351 15.9351 16.5869 16.5869 16.6802 16.6802 17.3948 17.3948 17.9870 17.9870 18.0496 18.0496 18.3200 18.3200 19.9776 19.9776 20.4314 20.4314 20.8123 20.8123 21.7309 21.7309 21.7851 21.7851 k = 0.6118-0.0646 0.4297 ( 4712 PWs) bands (ev): -52.0746 -52.0746 -52.0696 -52.0696 -35.9677 -35.9677 -24.7054 -24.7054 -24.6839 -24.6839 -21.6086 -21.6086 -21.5687 -21.5687 -21.4806 -21.4806 -21.4610 -21.4610 -13.5110 -13.5110 -11.4325 -11.4325 -11.4140 -11.4140 12.5314 12.5314 14.4189 14.4189 14.5125 14.5125 15.6711 15.6711 15.7912 15.7912 15.9592 15.9592 16.5803 16.5803 16.6884 16.6884 17.3838 17.3838 17.9858 17.9858 18.0204 18.0204 18.3490 18.3490 19.9888 19.9888 20.4343 20.4343 20.8118 20.8118 21.7114 21.7114 21.7724 21.7724 k = 0.6053-0.0608 0.4405 ( 4712 PWs) bands (ev): -52.0745 -52.0745 -52.0696 -52.0696 -35.9677 -35.9677 -24.7052 -24.7052 -24.6841 -24.6841 -21.6085 -21.6085 -21.5690 -21.5690 -21.4805 -21.4805 -21.4611 -21.4611 -13.5110 -13.5110 -11.4324 -11.4324 -11.4141 -11.4141 12.5330 12.5330 14.4168 14.4168 14.5080 14.5080 15.6457 15.6457 15.8075 15.8075 15.9934 15.9934 16.5712 16.5712 16.7001 16.7001 17.3658 17.3658 17.9703 17.9703 17.9950 17.9950 18.3875 18.3875 20.0073 20.0073 20.4393 20.4393 20.8110 20.8110 21.6799 21.6799 21.7534 21.7534 k = 0.5987-0.0570 0.4512 ( 4707 PWs) bands (ev): -52.0745 -52.0745 -52.0696 -52.0696 -35.9677 -35.9677 -24.7050 -24.7050 -24.6842 -24.6842 -21.6082 -21.6082 -21.5693 -21.5693 -21.4802 -21.4802 -21.4613 -21.4613 -13.5110 -13.5110 -11.4323 -11.4323 -11.4142 -11.4142 12.5352 12.5352 14.4140 14.4140 14.5020 14.5020 15.6181 15.6181 15.8295 15.8295 16.0339 16.0339 16.5608 16.5608 16.7141 16.7141 17.3412 17.3412 17.9266 17.9266 17.9923 17.9923 18.4303 18.4303 20.0327 20.0327 20.4463 20.4463 20.8098 20.8098 21.6393 21.6393 21.7278 21.7278 k = 0.5921-0.0532 0.4620 ( 4707 PWs) bands (ev): -52.0744 -52.0744 -52.0697 -52.0697 -35.9677 -35.9677 -24.7048 -24.7048 -24.6845 -24.6845 -21.6079 -21.6079 -21.5697 -21.5697 -21.4800 -21.4800 -21.4615 -21.4615 -13.5110 -13.5110 -11.4322 -11.4322 -11.4143 -11.4143 12.5378 12.5378 14.4105 14.4105 14.4949 14.4949 15.5901 15.5901 15.8568 15.8568 16.0783 16.0783 16.5500 16.5500 16.7297 16.7297 17.3106 17.3106 17.8766 17.8766 17.9927 17.9927 18.4747 18.4747 20.0647 20.0647 20.4553 20.4553 20.8082 20.8082 21.5929 21.5929 21.6943 21.6943 k = 0.5855-0.0494 0.4727 ( 4707 PWs) bands (ev): -52.0743 -52.0743 -52.0698 -52.0698 -35.9677 -35.9677 -24.7045 -24.7045 -24.6848 -24.6848 -21.6075 -21.6075 -21.5702 -21.5702 -21.4796 -21.4796 -21.4617 -21.4617 -13.5109 -13.5109 -11.4321 -11.4321 -11.4144 -11.4144 12.5410 12.5410 14.4063 14.4063 14.4870 14.4870 15.5631 15.5631 15.8890 15.8890 16.1253 16.1253 16.5392 16.5392 16.7465 16.7465 17.2746 17.2746 17.8242 17.8242 17.9936 17.9936 18.5190 18.5190 20.1028 20.1028 20.4664 20.4664 20.8062 20.8062 21.5432 21.5432 21.6526 21.6526 k = 0.5789-0.0456 0.4835 ( 4705 PWs) bands (ev): -52.0742 -52.0742 -52.0699 -52.0699 -35.9677 -35.9677 -24.7042 -24.7042 -24.6851 -24.6851 -21.6070 -21.6070 -21.5707 -21.5707 -21.4792 -21.4792 -21.4620 -21.4620 -13.5109 -13.5109 -11.4319 -11.4319 -11.4145 -11.4145 12.5445 12.5445 14.4015 14.4015 14.4787 14.4787 15.5375 15.5375 15.9257 15.9257 16.1739 16.1739 16.5286 16.5286 16.7642 16.7642 17.2339 17.2339 17.7701 17.7701 17.9947 17.9947 18.5623 18.5623 20.1463 20.1463 20.4796 20.4796 20.8037 20.8037 21.4919 21.4919 21.6039 21.6039 k = 0.5724-0.0418 0.4942 ( 4703 PWs) bands (ev): -52.0741 -52.0741 -52.0700 -52.0700 -35.9678 -35.9678 -24.7038 -24.7038 -24.6855 -24.6855 -21.6065 -21.6065 -21.5714 -21.5714 -21.4788 -21.4788 -21.4623 -21.4623 -13.5109 -13.5109 -11.4318 -11.4318 -11.4147 -11.4147 12.5483 12.5483 14.3962 14.3962 14.4704 14.4704 15.5139 15.5139 15.9664 15.9664 16.2234 16.2234 16.5185 16.5185 16.7827 16.7827 17.1893 17.1893 17.7148 17.7148 17.9957 17.9957 18.6041 18.6041 20.1945 20.1945 20.4951 20.4951 20.8006 20.8006 21.4402 21.4402 21.5505 21.5505 k = 0.5658-0.0380 0.5049 ( 4695 PWs) bands (ev): -52.0740 -52.0740 -52.0701 -52.0701 -35.9678 -35.9678 -24.7033 -24.7033 -24.6859 -24.6859 -21.6060 -21.6060 -21.5720 -21.5720 -21.4782 -21.4782 -21.4627 -21.4627 -13.5108 -13.5108 -11.4316 -11.4316 -11.4149 -11.4149 12.5523 12.5523 14.3905 14.3905 14.4623 14.4623 15.4924 15.4924 16.0105 16.0105 16.2734 16.2734 16.5090 16.5090 16.8020 16.8020 17.1417 17.1417 17.6585 17.6585 17.9966 17.9966 18.6437 18.6437 20.2466 20.2466 20.5131 20.5131 20.7970 20.7970 21.3890 21.3890 21.4940 21.4940 k = 0.5592-0.0342 0.5157 ( 4693 PWs) bands (ev): -52.0739 -52.0739 -52.0702 -52.0702 -35.9678 -35.9678 -24.7028 -24.7028 -24.6864 -24.6864 -21.6054 -21.6054 -21.5728 -21.5728 -21.4776 -21.4776 -21.4631 -21.4631 -13.5108 -13.5108 -11.4314 -11.4314 -11.4150 -11.4150 12.5564 12.5564 14.3845 14.3845 14.4548 14.4548 15.4731 15.4731 16.0574 16.0574 16.3232 16.3232 16.5003 16.5003 16.8218 16.8218 17.0920 17.0920 17.6012 17.6012 17.9973 17.9973 18.6808 18.6808 20.3016 20.3016 20.5342 20.5342 20.7927 20.7927 21.3391 21.3391 21.4361 21.4361 k = 0.5526-0.0304 0.5264 ( 4694 PWs) bands (ev): -52.0737 -52.0737 -52.0704 -52.0704 -35.9678 -35.9678 -24.7024 -24.7024 -24.6869 -24.6869 -21.6048 -21.6048 -21.5735 -21.5735 -21.4770 -21.4770 -21.4636 -21.4636 -13.5108 -13.5108 -11.4312 -11.4312 -11.4152 -11.4152 12.5605 12.5605 14.3786 14.3786 14.4480 14.4480 15.4560 15.4560 16.1065 16.1065 16.3723 16.3723 16.4925 16.4925 16.8418 16.8418 17.0414 17.0414 17.5430 17.5430 17.9976 17.9976 18.7150 18.7150 20.3578 20.3578 20.5590 20.5590 20.7877 20.7877 21.2911 21.2911 21.3783 21.3783 k = 0.5461-0.0266 0.5372 ( 4698 PWs) bands (ev): -52.0736 -52.0736 -52.0706 -52.0706 -35.9678 -35.9678 -24.7018 -24.7018 -24.6875 -24.6875 -21.6042 -21.6042 -21.5743 -21.5743 -21.4764 -21.4764 -21.4642 -21.4642 -13.5107 -13.5107 -11.4311 -11.4311 -11.4154 -11.4154 12.5644 12.5644 14.3728 14.3728 14.4420 14.4420 15.4412 15.4412 16.1571 16.1571 16.4196 16.4196 16.4861 16.4861 16.8606 16.8606 16.9920 16.9920 17.4842 17.4842 17.9976 17.9976 18.7460 18.7460 20.4131 20.4131 20.5888 20.5888 20.7824 20.7824 21.2455 21.2455 21.3218 21.3218 k = 0.5395-0.0228 0.5479 ( 4704 PWs) bands (ev): -52.0734 -52.0734 -52.0707 -52.0707 -35.9678 -35.9678 -24.7013 -24.7013 -24.6880 -24.6880 -21.6035 -21.6035 -21.5751 -21.5751 -21.4756 -21.4756 -21.4648 -21.4648 -13.5107 -13.5107 -11.4309 -11.4309 -11.4155 -11.4155 12.5681 12.5681 14.3675 14.3675 14.4369 14.4369 15.4286 15.4286 16.2083 16.2083 16.4606 16.4606 16.4853 16.4853 16.8717 16.8717 16.9514 16.9514 17.4249 17.4249 17.9972 17.9972 18.7733 18.7733 20.4645 20.4645 20.6254 20.6254 20.7772 20.7772 21.2027 21.2027 21.2680 21.2680 k = 0.5329-0.0190 0.5587 ( 4698 PWs) bands (ev): -52.0732 -52.0732 -52.0709 -52.0709 -35.9678 -35.9678 -24.7008 -24.7008 -24.6886 -24.6886 -21.6029 -21.6029 -21.5758 -21.5758 -21.4749 -21.4749 -21.4654 -21.4654 -13.5107 -13.5107 -11.4307 -11.4307 -11.4157 -11.4157 12.5715 12.5715 14.3628 14.3628 14.4327 14.4327 15.4181 15.4181 16.2590 16.2590 16.4701 16.4701 16.5144 16.5144 16.8540 16.8540 16.9420 16.9420 17.3656 17.3656 17.9964 17.9964 18.7968 18.7968 20.5093 20.5093 20.6687 20.6687 20.7742 20.7742 21.1628 21.1628 21.2180 21.2180 k = 0.5263-0.0152 0.5694 ( 4702 PWs) bands (ev): -52.0730 -52.0730 -52.0711 -52.0711 -35.9678 -35.9678 -24.7002 -24.7002 -24.6891 -24.6891 -21.6024 -21.6024 -21.5765 -21.5765 -21.4741 -21.4741 -21.4661 -21.4661 -13.5106 -13.5106 -11.4306 -11.4306 -11.4158 -11.4158 12.5744 12.5744 14.3589 14.3589 14.4293 14.4293 15.4097 15.4097 16.3078 16.3078 16.4692 16.4692 16.5514 16.5514 16.8135 16.8135 16.9594 16.9594 17.3069 17.3069 17.9952 17.9952 18.8162 18.8162 20.5461 20.5461 20.7100 20.7100 20.7826 20.7826 21.1261 21.1261 21.1726 21.1726 k = 0.5197-0.0114 0.5801 ( 4710 PWs) bands (ev): -52.0728 -52.0728 -52.0713 -52.0713 -35.9678 -35.9678 -24.6998 -24.6998 -24.6896 -24.6896 -21.6019 -21.6019 -21.5771 -21.5771 -21.4733 -21.4733 -21.4669 -21.4669 -13.5106 -13.5106 -11.4305 -11.4305 -11.4159 -11.4159 12.5768 12.5768 14.3559 14.3559 14.4268 14.4268 15.4032 15.4032 16.3515 16.3515 16.4716 16.4716 16.5809 16.5809 16.7722 16.7722 16.9849 16.9849 17.2498 17.2498 17.9939 17.9939 18.8313 18.8313 20.5754 20.5754 20.7274 20.7274 20.8229 20.8229 21.0928 21.0928 21.1323 21.1323 k = 0.5132-0.0076 0.5909 ( 4712 PWs) bands (ev): -52.0725 -52.0725 -52.0716 -52.0716 -35.9678 -35.9678 -24.6994 -24.6994 -24.6900 -24.6900 -21.6015 -21.6015 -21.5775 -21.5775 -21.4725 -21.4725 -21.4676 -21.4676 -13.5106 -13.5106 -11.4304 -11.4304 -11.4160 -11.4160 12.5785 12.5785 14.3539 14.3539 14.4251 14.4251 15.3987 15.3987 16.3846 16.3846 16.4826 16.4826 16.5945 16.5945 16.7420 16.7420 17.0132 17.0132 17.1965 17.1965 17.9926 17.9926 18.8420 18.8420 20.5972 20.5972 20.7286 20.7286 20.8854 20.8854 21.0633 21.0633 21.0965 21.0965 k = 0.5066-0.0038 0.6016 ( 4712 PWs) bands (ev): -52.0723 -52.0723 -52.0718 -52.0718 -35.9679 -35.9679 -24.6991 -24.6991 -24.6903 -24.6903 -21.6013 -21.6013 -21.5778 -21.5778 -21.4718 -21.4718 -21.4683 -21.4683 -13.5106 -13.5106 -11.4303 -11.4303 -11.4161 -11.4161 12.5796 12.5796 14.3528 14.3528 14.4241 14.4241 15.3960 15.3960 16.4016 16.4016 16.5056 16.5056 16.5848 16.5848 16.7307 16.7307 17.0407 17.0407 17.1517 17.1517 17.9915 17.9915 18.8483 18.8483 20.6108 20.6108 20.7278 20.7278 20.9522 20.9522 21.0386 21.0386 21.0645 21.0645 k = 0.5000-0.0000 0.6124 ( 4712 PWs) bands (ev): -52.0721 -52.0721 -52.0720 -52.0720 -35.9679 -35.9679 -24.6990 -24.6990 -24.6904 -24.6904 -21.6012 -21.6012 -21.5780 -21.5780 -21.4715 -21.4715 -21.4686 -21.4686 -13.5106 -13.5106 -11.4303 -11.4303 -11.4161 -11.4161 12.5800 12.5800 14.3525 14.3525 14.4237 14.4237 15.3952 15.3952 16.4058 16.4058 16.5251 16.5251 16.5684 16.5684 16.7305 16.7305 17.0549 17.0549 17.1309 17.1309 17.9911 17.9911 18.8504 18.8504 20.6152 20.6152 20.7280 20.7280 20.9933 20.9933 21.0277 21.0277 21.0437 21.0437 k = 0.5000-0.0000 0.6124 ( 4712 PWs) bands (ev): -52.0721 -52.0721 -52.0720 -52.0720 -35.9679 -35.9679 -24.6990 -24.6990 -24.6904 -24.6904 -21.6012 -21.6012 -21.5780 -21.5780 -21.4715 -21.4715 -21.4686 -21.4686 -13.5106 -13.5106 -11.4303 -11.4303 -11.4161 -11.4161 12.5800 12.5800 14.3525 14.3525 14.4237 14.4237 15.3952 15.3952 16.4058 16.4058 16.5251 16.5251 16.5684 16.5684 16.7305 16.7305 17.0549 17.0549 17.1309 17.1309 17.9911 17.9911 18.8504 18.8504 20.6152 20.6152 20.7280 20.7280 20.9933 20.9933 21.0277 21.0277 21.0437 21.0437 k = 0.5000 0.0078 0.6013 ( 4712 PWs) bands (ev): -52.0721 -52.0721 -52.0720 -52.0720 -35.9678 -35.9678 -24.6990 -24.6990 -24.6904 -24.6904 -21.6011 -21.6011 -21.5779 -21.5779 -21.4715 -21.4715 -21.4686 -21.4686 -13.5106 -13.5106 -11.4303 -11.4303 -11.4161 -11.4161 12.5801 12.5801 14.3531 14.3531 14.4243 14.4243 15.3949 15.3949 16.4031 16.4031 16.5222 16.5222 16.5663 16.5663 16.7260 16.7260 17.0594 17.0594 17.1372 17.1372 17.9893 17.9893 18.8449 18.8449 20.6109 20.6109 20.7236 20.7236 20.9849 20.9849 21.0013 21.0013 21.0752 21.0752 k = 0.5000 0.0156 0.5903 ( 4710 PWs) bands (ev): -52.0721 -52.0721 -52.0721 -52.0721 -35.9678 -35.9678 -24.6990 -24.6990 -24.6904 -24.6904 -21.6009 -21.6009 -21.5778 -21.5778 -21.4717 -21.4717 -21.4688 -21.4688 -13.5106 -13.5106 -11.4303 -11.4303 -11.4161 -11.4161 12.5803 12.5803 14.3549 14.3549 14.4262 14.4262 15.3940 15.3940 16.3951 16.3951 16.5111 16.5111 16.5602 16.5602 16.7175 16.7175 17.0681 17.0681 17.1574 17.1574 17.9840 17.9840 18.8288 18.8288 20.5983 20.5983 20.7121 20.7121 20.9544 20.9544 20.9940 20.9940 21.1177 21.1177 k = 0.5000 0.0234 0.5793 ( 4704 PWs) bands (ev): -52.0721 -52.0721 -52.0721 -52.0721 -35.9678 -35.9678 -24.6989 -24.6989 -24.6904 -24.6904 -21.6006 -21.6006 -21.5776 -21.5776 -21.4720 -21.4720 -21.4690 -21.4690 -13.5106 -13.5106 -11.4303 -11.4303 -11.4161 -11.4161 12.5808 12.5808 14.3575 14.3575 14.4296 14.4296 15.3926 15.3926 16.3827 16.3827 16.4864 16.4864 16.5527 16.5527 16.7143 16.7143 17.0746 17.0746 17.1911 17.1911 17.9750 17.9750 18.8033 18.8033 20.5789 20.5789 20.6969 20.6969 20.9278 20.9278 20.9933 20.9933 21.1700 21.1700 k = 0.5000 0.0312 0.5682 ( 4696 PWs) bands (ev): -52.0721 -52.0721 -52.0721 -52.0721 -35.9678 -35.9678 -24.6989 -24.6989 -24.6904 -24.6904 -21.6001 -21.6001 -21.5773 -21.5773 -21.4723 -21.4723 -21.4694 -21.4694 -13.5107 -13.5107 -11.4303 -11.4303 -11.4161 -11.4161 12.5814 12.5814 14.3606 14.3606 14.4347 14.4347 15.3907 15.3907 16.3659 16.3659 16.4468 16.4468 16.5466 16.5466 16.7202 16.7202 17.0782 17.0782 17.2329 17.2329 17.9619 17.9619 18.7699 18.7699 20.5550 20.5550 20.6804 20.6804 20.9096 20.9096 20.9953 20.9953 21.2307 21.2307 k = 0.5000 0.0390 0.5572 ( 4698 PWs) bands (ev): -52.0721 -52.0721 -52.0721 -52.0721 -35.9678 -35.9678 -24.6988 -24.6988 -24.6904 -24.6904 -21.5995 -21.5995 -21.5769 -21.5769 -21.4728 -21.4728 -21.4699 -21.4699 -13.5108 -13.5108 -11.4303 -11.4303 -11.4161 -11.4161 12.5823 12.5823 14.3636 14.3636 14.4420 14.4420 15.3883 15.3883 16.3425 16.3425 16.4003 16.4003 16.5417 16.5417 16.7333 16.7333 17.0803 17.0803 17.2778 17.2778 17.9446 17.9446 18.7307 18.7307 20.5294 20.5294 20.6639 20.6639 20.8989 20.8989 20.9994 20.9994 21.2975 21.2975 k = 0.5000 0.0468 0.5462 ( 4702 PWs) bands (ev): -52.0721 -52.0721 -52.0721 -52.0721 -35.9677 -35.9677 -24.6988 -24.6988 -24.6904 -24.6904 -21.5988 -21.5988 -21.5765 -21.5765 -21.4735 -21.4735 -21.4704 -21.4704 -13.5108 -13.5108 -11.4303 -11.4303 -11.4161 -11.4161 12.5835 12.5835 14.3661 14.3661 14.4518 14.4518 15.3854 15.3854 16.3039 16.3039 16.3615 16.3615 16.5369 16.5369 16.7513 16.7513 17.0817 17.0817 17.3224 17.3224 17.9226 17.9226 18.6878 18.6878 20.5044 20.5044 20.6481 20.6481 20.8941 20.8941 21.0053 21.0053 21.3683 21.3683 k = 0.5000 0.0546 0.5351 ( 4702 PWs) bands (ev): -52.0721 -52.0721 -52.0721 -52.0721 -35.9677 -35.9677 -24.6987 -24.6987 -24.6904 -24.6904 -21.5980 -21.5980 -21.5760 -21.5760 -21.4742 -21.4742 -21.4711 -21.4711 -13.5109 -13.5109 -11.4304 -11.4304 -11.4161 -11.4161 12.5850 12.5850 14.3676 14.3676 14.4642 14.4642 15.3819 15.3819 16.2486 16.2486 16.3356 16.3356 16.5315 16.5315 16.7725 16.7725 17.0830 17.0830 17.3645 17.3645 17.8957 17.8957 18.6431 18.6431 20.4817 20.4817 20.6336 20.6336 20.8937 20.8937 21.0128 21.0128 21.4410 21.4410 k = 0.5000 0.0624 0.5241 ( 4698 PWs) bands (ev): -52.0721 -52.0721 -52.0721 -52.0721 -35.9677 -35.9677 -24.6987 -24.6987 -24.6904 -24.6904 -21.5971 -21.5971 -21.5754 -21.5754 -21.4750 -21.4750 -21.4719 -21.4719 -13.5110 -13.5110 -11.4304 -11.4304 -11.4161 -11.4161 12.5869 12.5869 14.3681 14.3681 14.4792 14.4792 15.3780 15.3780 16.1869 16.1869 16.3150 16.3150 16.5249 16.5249 16.7956 16.7956 17.0846 17.0846 17.4028 17.4028 17.8639 17.8639 18.5984 18.5984 20.4622 20.4622 20.6208 20.6208 20.8965 20.8965 21.0218 21.0218 21.5138 21.5138 k = 0.5000 0.0702 0.5131 ( 4692 PWs) bands (ev): -52.0721 -52.0721 -52.0721 -52.0721 -35.9676 -35.9676 -24.6986 -24.6986 -24.6904 -24.6904 -21.5960 -21.5960 -21.5747 -21.5747 -21.4759 -21.4759 -21.4727 -21.4727 -13.5111 -13.5111 -11.4305 -11.4305 -11.4161 -11.4161 12.5893 12.5893 14.3674 14.3674 14.4966 14.4966 15.3735 15.3735 16.1239 16.1239 16.2962 16.2962 16.5167 16.5167 16.8201 16.8201 17.0867 17.0867 17.4361 17.4361 17.8272 17.8272 18.5551 18.5551 20.4467 20.4467 20.6101 20.6101 20.9015 20.9015 21.0323 21.0323 21.5847 21.5847 k = 0.5000 0.0780 0.5020 ( 4698 PWs) bands (ev): -52.0721 -52.0721 -52.0721 -52.0721 -35.9676 -35.9676 -24.6985 -24.6985 -24.6904 -24.6904 -21.5948 -21.5948 -21.5740 -21.5740 -21.4769 -21.4769 -21.4737 -21.4737 -13.5112 -13.5112 -11.4305 -11.4305 -11.4161 -11.4161 12.5921 12.5921 14.3655 14.3655 14.5162 14.5162 15.3683 15.3683 16.0619 16.0619 16.2784 16.2784 16.5065 16.5065 16.8454 16.8454 17.0895 17.0895 17.4637 17.4637 17.7863 17.7863 18.5139 18.5139 20.4353 20.4353 20.6016 20.6016 20.9082 20.9082 21.0444 21.0444 21.6515 21.6515 k = 0.5000 0.0858 0.4910 ( 4704 PWs) bands (ev): -52.0721 -52.0721 -52.0721 -52.0721 -35.9675 -35.9675 -24.6985 -24.6985 -24.6904 -24.6904 -21.5935 -21.5935 -21.5732 -21.5732 -21.4780 -21.4780 -21.4749 -21.4749 -13.5113 -13.5113 -11.4306 -11.4306 -11.4160 -11.4160 12.5955 12.5955 14.3623 14.3623 14.5376 14.5376 15.3621 15.3621 16.0024 16.0024 16.2614 16.2614 16.4941 16.4941 16.8713 16.8713 17.0931 17.0931 17.4850 17.4850 17.7422 17.7422 18.4753 18.4753 20.4283 20.4283 20.5955 20.5955 20.9162 20.9162 21.0582 21.0582 21.7125 21.7125 k = 0.5000 0.0936 0.4800 ( 4704 PWs) bands (ev): -52.0721 -52.0721 -52.0721 -52.0721 -35.9674 -35.9674 -24.6984 -24.6984 -24.6903 -24.6903 -21.5921 -21.5921 -21.5723 -21.5723 -21.4792 -21.4792 -21.4760 -21.4760 -13.5115 -13.5115 -11.4307 -11.4307 -11.4159 -11.4159 12.5995 12.5995 14.3580 14.3580 14.5606 14.5606 15.3545 15.3545 15.9466 15.9466 16.2450 16.2450 16.4791 16.4791 16.8974 16.8974 17.0978 17.0978 17.4992 17.4992 17.6962 17.6962 18.4394 18.4394 20.4253 20.4253 20.5917 20.5917 20.9254 20.9254 21.0736 21.0736 21.7659 21.7659 k = 0.5000 0.1014 0.4689 ( 4706 PWs) bands (ev): -52.0721 -52.0721 -52.0721 -52.0721 -35.9674 -35.9674 -24.6983 -24.6983 -24.6903 -24.6903 -21.5906 -21.5906 -21.5713 -21.5713 -21.4805 -21.4805 -21.4773 -21.4773 -13.5116 -13.5116 -11.4309 -11.4309 -11.4159 -11.4159 12.6041 12.6041 14.3524 14.3524 14.5849 14.5849 15.3452 15.3452 15.8954 15.8954 16.2292 16.2292 16.4612 16.4612 16.9236 16.9236 17.1034 17.1034 17.5052 17.5052 17.6507 17.6507 18.4058 18.4058 20.4260 20.4260 20.5901 20.5901 20.9357 20.9357 21.0908 21.0908 21.8110 21.8110 k = 0.5000 0.1092 0.4579 ( 4698 PWs) bands (ev): -52.0721 -52.0721 -52.0721 -52.0721 -35.9673 -35.9673 -24.6983 -24.6983 -24.6903 -24.6903 -21.5890 -21.5890 -21.5703 -21.5703 -21.4819 -21.4819 -21.4787 -21.4787 -13.5118 -13.5118 -11.4310 -11.4310 -11.4157 -11.4157 12.6094 12.6094 14.3455 14.3455 14.6102 14.6102 15.3335 15.3335 15.8502 15.8502 16.2141 16.2141 16.4406 16.4406 16.9495 16.9495 17.1101 17.1101 17.5007 17.5007 17.6090 17.6090 18.3742 18.3742 20.4301 20.4301 20.5905 20.5905 20.9472 20.9472 21.1099 21.1099 21.8475 21.8475 k = 0.5000 0.1170 0.4469 ( 4700 PWs) bands (ev): -52.0721 -52.0721 -52.0721 -52.0721 -35.9672 -35.9672 -24.6982 -24.6982 -24.6902 -24.6902 -21.5873 -21.5873 -21.5692 -21.5692 -21.4834 -21.4834 -21.4801 -21.4801 -13.5119 -13.5119 -11.4312 -11.4312 -11.4156 -11.4156 12.6153 12.6153 14.3374 14.3374 14.6362 14.6362 15.3189 15.3189 15.8117 15.8117 16.1996 16.1996 16.4170 16.4170 16.9749 16.9749 17.1177 17.1177 17.4825 17.4825 17.5759 17.5759 18.3442 18.3442 20.4369 20.4369 20.5926 20.5926 20.9602 20.9602 21.1309 21.1309 21.8760 21.8760 k = 0.5000 0.1248 0.4358 ( 4702 PWs) bands (ev): -52.0721 -52.0721 -52.0721 -52.0721 -35.9672 -35.9672 -24.6981 -24.6981 -24.6902 -24.6902 -21.5854 -21.5854 -21.5680 -21.5680 -21.4849 -21.4849 -21.4817 -21.4817 -13.5121 -13.5121 -11.4314 -11.4314 -11.4155 -11.4155 12.6220 12.6220 14.3280 14.3280 14.6625 14.6625 15.3009 15.3009 15.7809 15.7809 16.1857 16.1857 16.3908 16.3908 16.9994 16.9994 17.1260 17.1260 17.4511 17.4511 17.5523 17.5523 18.3155 18.3155 20.4458 20.4458 20.5961 20.5961 20.9751 20.9751 21.1539 21.1539 21.8975 21.8975 k = 0.5000 0.1326 0.4248 ( 4706 PWs) bands (ev): -52.0721 -52.0721 -52.0721 -52.0721 -35.9671 -35.9671 -24.6981 -24.6981 -24.6901 -24.6901 -21.5835 -21.5835 -21.5668 -21.5668 -21.4865 -21.4865 -21.4834 -21.4834 -13.5122 -13.5122 -11.4316 -11.4316 -11.4153 -11.4153 12.6294 12.6294 14.3175 14.3175 14.6889 14.6889 15.2794 15.2794 15.7581 15.7581 16.1724 16.1724 16.3623 16.3623 17.0227 17.0227 17.1349 17.1349 17.4131 17.4131 17.5332 17.5332 18.2876 18.2876 20.4562 20.4562 20.6005 20.6005 20.9921 20.9921 21.1789 21.1789 21.9133 21.9133 k = 0.5000 0.1404 0.4138 ( 4706 PWs) bands (ev): -52.0721 -52.0721 -52.0721 -52.0721 -35.9670 -35.9670 -24.6980 -24.6980 -24.6901 -24.6901 -21.5816 -21.5816 -21.5654 -21.5654 -21.4882 -21.4882 -21.4851 -21.4851 -13.5124 -13.5124 -11.4318 -11.4318 -11.4151 -11.4151 12.6374 12.6374 14.3058 14.3058 14.7149 14.7149 15.2545 15.2545 15.7434 15.7434 16.1596 16.1596 16.3318 16.3318 17.0439 17.0439 17.1439 17.1439 17.3744 17.3744 17.5145 17.5145 18.2603 18.2603 20.4674 20.4674 20.6053 20.6053 21.0117 21.0117 21.2057 21.2057 21.9246 21.9246 k = 0.5000 0.1482 0.4027 ( 4706 PWs) bands (ev): -52.0721 -52.0721 -52.0721 -52.0721 -35.9669 -35.9669 -24.6980 -24.6980 -24.6900 -24.6900 -21.5795 -21.5795 -21.5641 -21.5641 -21.4900 -21.4900 -21.4869 -21.4869 -13.5126 -13.5126 -11.4321 -11.4321 -11.4149 -11.4149 12.6461 12.6461 14.2931 14.2931 14.7403 14.7403 15.2270 15.2270 15.7361 15.7361 16.1473 16.1473 16.3001 16.3001 17.0620 17.0620 17.1526 17.1526 17.3384 17.3384 17.4946 17.4946 18.2336 18.2336 20.4789 20.4789 20.6101 20.6101 21.0342 21.0342 21.2342 21.2342 21.9325 21.9325 k = 0.5000 0.1560 0.3917 ( 4702 PWs) bands (ev): -52.0722 -52.0722 -52.0721 -52.0721 -35.9669 -35.9669 -24.6979 -24.6979 -24.6899 -24.6899 -21.5773 -21.5773 -21.5626 -21.5626 -21.4918 -21.4918 -21.4888 -21.4888 -13.5127 -13.5127 -11.4324 -11.4324 -11.4147 -11.4147 12.6555 12.6555 14.2795 14.2795 14.7647 14.7647 15.1977 15.1977 15.7356 15.7356 16.1354 16.1354 16.2680 16.2680 17.0752 17.0752 17.1605 17.1605 17.3075 17.3075 17.4738 17.4738 18.2074 18.2074 20.4902 20.4902 20.6144 20.6144 21.0599 21.0599 21.2642 21.2642 21.9379 21.9379 k = 0.5000 0.1638 0.3807 ( 4708 PWs) bands (ev): -52.0722 -52.0722 -52.0721 -52.0721 -35.9668 -35.9668 -24.6979 -24.6979 -24.6899 -24.6899 -21.5751 -21.5751 -21.5612 -21.5612 -21.4937 -21.4937 -21.4907 -21.4907 -13.5129 -13.5129 -11.4326 -11.4326 -11.4144 -11.4144 12.6654 12.6654 14.2651 14.2651 14.7877 14.7877 15.1674 15.1674 15.7409 15.7409 16.1238 16.1238 16.2364 16.2364 17.0813 17.0813 17.1668 17.1668 17.2841 17.2841 17.4530 17.4530 18.1816 18.1816 20.5007 20.5007 20.6180 20.6180 21.0889 21.0889 21.2953 21.2953 21.9417 21.9417 k = 0.5000 0.1716 0.3696 ( 4708 PWs) bands (ev): -52.0722 -52.0722 -52.0721 -52.0721 -35.9667 -35.9667 -24.6979 -24.6979 -24.6898 -24.6898 -21.5728 -21.5728 -21.5596 -21.5596 -21.4956 -21.4956 -21.4928 -21.4928 -13.5130 -13.5130 -11.4329 -11.4329 -11.4142 -11.4142 12.6757 12.6757 14.2502 14.2502 14.8088 14.8088 15.1370 15.1370 15.7511 15.7511 16.1121 16.1121 16.2063 16.2063 17.0784 17.0784 17.1698 17.1698 17.2702 17.2702 17.4338 17.4338 18.1565 18.1565 20.5102 20.5102 20.6205 20.6205 21.1212 21.1212 21.3271 21.3271 21.9443 21.9443 k = 0.5000 0.1794 0.3586 ( 4708 PWs) bands (ev): -52.0722 -52.0722 -52.0721 -52.0721 -35.9667 -35.9667 -24.6979 -24.6979 -24.6897 -24.6897 -21.5704 -21.5704 -21.5581 -21.5581 -21.4975 -21.4975 -21.4948 -21.4948 -13.5132 -13.5132 -11.4332 -11.4332 -11.4140 -11.4140 12.6865 12.6865 14.2349 14.2349 14.8278 14.8278 15.1073 15.1073 15.7653 15.7653 16.1000 16.1000 16.1789 16.1789 17.0666 17.0666 17.1671 17.1671 17.2667 17.2667 17.4177 17.4177 18.1320 18.1320 20.5185 20.5185 20.6220 20.6220 21.1567 21.1567 21.3592 21.3592 21.9465 21.9465 k = 0.5000 0.1872 0.3476 ( 4706 PWs) bands (ev): -52.0722 -52.0722 -52.0721 -52.0721 -35.9666 -35.9666 -24.6979 -24.6979 -24.6896 -24.6896 -21.5680 -21.5680 -21.5564 -21.5564 -21.4996 -21.4996 -21.4970 -21.4970 -13.5133 -13.5133 -11.4335 -11.4335 -11.4137 -11.4137 12.6976 12.6976 14.2194 14.2194 14.8443 14.8443 15.0788 15.0788 15.7827 15.7827 16.0872 16.0872 16.1555 16.1555 17.0483 17.0483 17.1568 17.1568 17.2715 17.2715 17.4065 17.4065 18.1084 18.1084 20.5254 20.5254 20.6224 20.6224 21.1948 21.1948 21.3912 21.3912 21.9486 21.9486 k = 0.5000 0.1951 0.3365 ( 4706 PWs) bands (ev): -52.0722 -52.0722 -52.0721 -52.0721 -35.9665 -35.9665 -24.6979 -24.6979 -24.6895 -24.6895 -21.5655 -21.5655 -21.5547 -21.5547 -21.5016 -21.5016 -21.4991 -21.4991 -13.5135 -13.5135 -11.4338 -11.4338 -11.4135 -11.4135 12.7088 12.7088 14.2040 14.2040 14.8580 14.8580 15.0519 15.0519 15.8027 15.8027 16.0736 16.0736 16.1367 16.1367 17.0261 17.0261 17.1388 17.1388 17.2814 17.2814 17.4006 17.4006 18.0858 18.0858 20.5309 20.5309 20.6219 20.6219 21.2352 21.2352 21.4223 21.4223 21.9510 21.9510 k = 0.5000 0.2029 0.3255 ( 4708 PWs) bands (ev): -52.0722 -52.0722 -52.0721 -52.0721 -35.9665 -35.9665 -24.6978 -24.6978 -24.6894 -24.6894 -21.5630 -21.5630 -21.5530 -21.5530 -21.5037 -21.5037 -21.5013 -21.5013 -13.5136 -13.5136 -11.4340 -11.4340 -11.4132 -11.4132 12.7200 12.7200 14.1888 14.1888 14.8685 14.8685 15.0271 15.0271 15.8245 15.8245 16.0600 16.0600 16.1225 16.1225 17.0020 17.0020 17.1142 17.1142 17.2938 17.2938 17.3997 17.3997 18.0645 18.0645 20.5351 20.5351 20.6205 20.6205 21.2772 21.2772 21.4523 21.4523 21.9538 21.9538 k = 0.5000 0.2107 0.3145 ( 4710 PWs) bands (ev): -52.0722 -52.0722 -52.0721 -52.0721 -35.9664 -35.9664 -24.6978 -24.6978 -24.6894 -24.6894 -21.5605 -21.5605 -21.5513 -21.5513 -21.5059 -21.5059 -21.5036 -21.5036 -13.5137 -13.5137 -11.4343 -11.4343 -11.4130 -11.4130 12.7311 12.7311 14.1741 14.1741 14.8759 14.8759 15.0047 15.0047 15.8472 15.8472 16.0477 16.0477 16.1122 16.1122 16.9775 16.9775 17.0848 17.0848 17.3069 17.3069 17.4027 17.4027 18.0446 18.0446 20.5379 20.5379 20.6186 20.6186 21.3200 21.3200 21.4806 21.4806 21.9573 21.9573 k = 0.5000 0.2185 0.3034 ( 4714 PWs) bands (ev): -52.0722 -52.0722 -52.0721 -52.0721 -35.9664 -35.9664 -24.6979 -24.6979 -24.6893 -24.6893 -21.5579 -21.5579 -21.5496 -21.5496 -21.5081 -21.5081 -21.5058 -21.5058 -13.5139 -13.5139 -11.4346 -11.4346 -11.4128 -11.4128 12.7419 12.7419 14.1601 14.1601 14.8801 14.8801 14.9848 14.9848 15.8699 15.8699 16.0380 16.0380 16.1048 16.1048 16.9533 16.9533 17.0524 17.0524 17.3198 17.3198 17.4083 17.4083 18.0262 18.0262 20.5396 20.5396 20.6163 20.6163 21.3627 21.3627 21.5068 21.5068 21.9615 21.9615 k = 0.5000 0.2263 0.2924 ( 4714 PWs) bands (ev): -52.0722 -52.0722 -52.0721 -52.0721 -35.9663 -35.9663 -24.6979 -24.6979 -24.6892 -24.6892 -21.5554 -21.5554 -21.5478 -21.5478 -21.5103 -21.5103 -21.5080 -21.5080 -13.5140 -13.5140 -11.4348 -11.4348 -11.4126 -11.4126 12.7522 12.7522 14.1470 14.1470 14.8811 14.8811 14.9678 14.9678 15.8915 15.8915 16.0321 16.0321 16.0998 16.0998 16.9298 16.9298 17.0184 17.0184 17.3319 17.3319 17.4153 17.4153 18.0096 18.0096 20.5403 20.5403 20.6137 20.6137 21.4044 21.4044 21.5306 21.5306 21.9665 21.9665 k = 0.5000 0.2341 0.2814 ( 4704 PWs) bands (ev): -52.0722 -52.0722 -52.0721 -52.0721 -35.9663 -35.9663 -24.6978 -24.6978 -24.6891 -24.6891 -21.5528 -21.5528 -21.5460 -21.5460 -21.5125 -21.5125 -21.5101 -21.5101 -13.5141 -13.5141 -11.4350 -11.4350 -11.4124 -11.4124 12.7618 12.7618 14.1350 14.1350 14.8794 14.8794 14.9536 14.9536 15.9107 15.9107 16.0304 16.0304 16.0970 16.0970 16.9076 16.9076 16.9843 16.9843 17.3429 17.3429 17.4230 17.4230 17.9948 17.9948 20.5402 20.5402 20.6111 20.6111 21.4441 21.4441 21.5521 21.5521 21.9719 21.9719 k = 0.5000 0.2419 0.2703 ( 4708 PWs) bands (ev): -52.0722 -52.0722 -52.0721 -52.0721 -35.9662 -35.9662 -24.6978 -24.6978 -24.6891 -24.6891 -21.5502 -21.5502 -21.5443 -21.5443 -21.5148 -21.5148 -21.5122 -21.5122 -13.5142 -13.5142 -11.4352 -11.4352 -11.4123 -11.4123 12.7707 12.7707 14.1242 14.1242 14.8756 14.8756 14.9422 14.9422 15.9263 15.9263 16.0329 16.0329 16.0964 16.0964 16.8869 16.8869 16.9515 16.9515 17.3525 17.3525 17.4306 17.4306 17.9819 17.9819 20.5396 20.5396 20.6086 20.6086 21.4806 21.4806 21.5711 21.5711 21.9777 21.9777 k = 0.5000 0.2497 0.2593 ( 4708 PWs) bands (ev): -52.0722 -52.0722 -52.0722 -52.0722 -35.9662 -35.9662 -24.6979 -24.6979 -24.6890 -24.6890 -21.5477 -21.5477 -21.5426 -21.5426 -21.5171 -21.5171 -21.5141 -21.5141 -13.5142 -13.5142 -11.4353 -11.4353 -11.4121 -11.4121 12.7785 12.7785 14.1148 14.1148 14.8705 14.8705 14.9332 14.9332 15.9379 15.9379 16.0385 16.0385 16.0984 16.0984 16.8680 16.8680 16.9211 16.9211 17.3608 17.3608 17.4378 17.4378 17.9710 17.9710 20.5387 20.5387 20.6063 20.6063 21.5127 21.5127 21.5880 21.5880 21.9834 21.9834 k = 0.5000 0.2575 0.2483 ( 4704 PWs) bands (ev): -52.0722 -52.0722 -52.0722 -52.0722 -35.9662 -35.9662 -24.6978 -24.6978 -24.6890 -24.6890 -21.5452 -21.5452 -21.5410 -21.5410 -21.5194 -21.5194 -21.5159 -21.5159 -13.5143 -13.5143 -11.4355 -11.4355 -11.4120 -11.4120 12.7851 12.7851 14.1070 14.1070 14.8651 14.8651 14.9262 14.9262 15.9458 15.9458 16.0449 16.0449 16.1029 16.1029 16.8510 16.8510 16.8947 16.8947 17.3675 17.3675 17.4440 17.4440 17.9621 17.9621 20.5375 20.5375 20.6042 20.6042 21.5392 21.5392 21.6029 21.6029 21.9888 21.9888 k = 0.5000 0.2653 0.2372 ( 4702 PWs) bands (ev): -52.0722 -52.0722 -52.0722 -52.0722 -35.9661 -35.9661 -24.6978 -24.6978 -24.6889 -24.6889 -21.5430 -21.5430 -21.5396 -21.5396 -21.5215 -21.5215 -21.5175 -21.5175 -13.5143 -13.5143 -11.4356 -11.4356 -11.4119 -11.4119 12.7905 12.7905 14.1007 14.1007 14.8602 14.8602 14.9209 14.9209 15.9511 15.9511 16.0503 16.0503 16.1093 16.1093 16.8363 16.8363 16.8734 16.8734 17.3727 17.3727 17.4492 17.4492 17.9552 17.9552 20.5365 20.5365 20.6026 20.6026 21.5592 21.5592 21.6160 21.6160 21.9934 21.9934 k = 0.5000 0.2731 0.2262 ( 4702 PWs) bands (ev): -52.0722 -52.0722 -52.0722 -52.0722 -35.9661 -35.9661 -24.6978 -24.6978 -24.6889 -24.6889 -21.5410 -21.5410 -21.5384 -21.5384 -21.5234 -21.5234 -21.5187 -21.5187 -13.5144 -13.5144 -11.4356 -11.4356 -11.4119 -11.4119 12.7944 12.7944 14.0962 14.0962 14.8564 14.8564 14.9171 14.9171 15.9544 15.9544 16.0540 16.0540 16.1160 16.1160 16.8244 16.8244 16.8582 16.8582 17.3765 17.3765 17.4530 17.4530 17.9502 17.9502 20.5356 20.5356 20.6014 20.6014 21.5728 21.5728 21.6266 21.6266 21.9970 21.9970 k = 0.5000 0.2809 0.2152 ( 4678 PWs) bands (ev): -52.0722 -52.0722 -52.0722 -52.0722 -35.9661 -35.9661 -24.6978 -24.6978 -24.6888 -24.6888 -21.5395 -21.5395 -21.5376 -21.5376 -21.5248 -21.5248 -21.5195 -21.5195 -13.5144 -13.5144 -11.4357 -11.4357 -11.4118 -11.4118 12.7967 12.7967 14.0935 14.0935 14.8539 14.8539 14.9149 14.9149 15.9562 15.9562 16.0561 16.0561 16.1210 16.1210 16.8165 16.8165 16.8493 16.8493 17.3787 17.3787 17.4553 17.4553 17.9473 17.9473 20.5350 20.5350 20.6006 20.6006 21.5804 21.5804 21.6336 21.6336 21.9993 21.9993 k = 0.5000 0.2887 0.2041 ( 4664 PWs) bands (ev): -52.0722 -52.0722 -52.0722 -52.0722 -35.9661 -35.9661 -24.6978 -24.6978 -24.6888 -24.6888 -21.5389 -21.5389 -21.5373 -21.5373 -21.5253 -21.5253 -21.5198 -21.5198 -13.5144 -13.5144 -11.4357 -11.4357 -11.4118 -11.4118 12.7975 12.7975 14.0926 14.0926 14.8531 14.8531 14.9141 14.9141 15.9568 15.9568 16.0567 16.0567 16.1229 16.1229 16.8137 16.8137 16.8464 16.8464 17.3794 17.3794 17.4561 17.4561 17.9463 17.9463 20.5349 20.5349 20.6004 20.6004 21.5829 21.5829 21.6361 21.6361 22.0000 22.0000 k = 0.5000 0.2887 0.2041 ( 4664 PWs) bands (ev): -52.0722 -52.0722 -52.0722 -52.0722 -35.9661 -35.9661 -24.6978 -24.6978 -24.6888 -24.6888 -21.5389 -21.5389 -21.5373 -21.5373 -21.5253 -21.5253 -21.5198 -21.5198 -13.5144 -13.5144 -11.4357 -11.4357 -11.4118 -11.4118 12.7975 12.7975 14.0926 14.0926 14.8531 14.8531 14.9141 14.9141 15.9568 15.9568 16.0567 16.0567 16.1229 16.1229 16.8137 16.8137 16.8464 16.8464 17.3794 17.3794 17.4561 17.4561 17.9463 17.9463 20.5349 20.5349 20.6004 20.6004 21.5829 21.5829 21.6361 21.6361 22.0000 22.0000 k = 0.4961 0.2864 0.2169 ( 4679 PWs) bands (ev): -52.0722 -52.0722 -52.0722 -52.0722 -35.9661 -35.9661 -24.6978 -24.6978 -24.6888 -24.6888 -21.5395 -21.5395 -21.5376 -21.5376 -21.5248 -21.5248 -21.5195 -21.5195 -13.5144 -13.5144 -11.4357 -11.4357 -11.4118 -11.4118 12.7967 12.7967 14.0935 14.0935 14.8539 14.8539 14.9149 14.9149 15.9562 15.9562 16.0561 16.0561 16.1210 16.1210 16.8165 16.8165 16.8493 16.8493 17.3787 17.3787 17.4553 17.4553 17.9473 17.9473 20.5350 20.5350 20.6006 20.6006 21.5804 21.5804 21.6336 21.6336 21.9993 21.9993 k = 0.4922 0.2842 0.2296 ( 4697 PWs) bands (ev): -52.0722 -52.0722 -52.0722 -52.0722 -35.9661 -35.9661 -24.6978 -24.6978 -24.6889 -24.6889 -21.5410 -21.5410 -21.5384 -21.5384 -21.5234 -21.5234 -21.5187 -21.5187 -13.5144 -13.5144 -11.4356 -11.4356 -11.4119 -11.4119 12.7944 12.7944 14.0962 14.0962 14.8564 14.8564 14.9171 14.9171 15.9544 15.9544 16.0540 16.0540 16.1160 16.1160 16.8244 16.8244 16.8582 16.8582 17.3765 17.3765 17.4530 17.4530 17.9503 17.9503 20.5356 20.5356 20.6014 20.6014 21.5727 21.5727 21.6266 21.6266 21.9970 21.9970 k = 0.4883 0.2819 0.2424 ( 4702 PWs) bands (ev): -52.0722 -52.0722 -52.0722 -52.0722 -35.9661 -35.9661 -24.6978 -24.6978 -24.6889 -24.6889 -21.5430 -21.5430 -21.5396 -21.5396 -21.5215 -21.5215 -21.5175 -21.5175 -13.5143 -13.5143 -11.4356 -11.4356 -11.4119 -11.4119 12.7904 12.7904 14.1008 14.1008 14.8602 14.8602 14.9209 14.9209 15.9511 15.9511 16.0501 16.0501 16.1095 16.1095 16.8364 16.8364 16.8734 16.8734 17.3727 17.3727 17.4492 17.4492 17.9552 17.9552 20.5365 20.5365 20.6026 20.6026 21.5590 21.5590 21.6161 21.6161 21.9934 21.9934 k = 0.4844 0.2797 0.2552 ( 4701 PWs) bands (ev): -52.0722 -52.0722 -52.0722 -52.0722 -35.9662 -35.9662 -24.6978 -24.6978 -24.6890 -24.6890 -21.5452 -21.5452 -21.5410 -21.5410 -21.5194 -21.5194 -21.5159 -21.5159 -13.5143 -13.5143 -11.4355 -11.4355 -11.4120 -11.4120 12.7851 12.7851 14.1070 14.1070 14.8652 14.8652 14.9262 14.9262 15.9462 15.9462 16.0436 16.0436 16.1037 16.1037 16.8512 16.8512 16.8946 16.8946 17.3675 17.3675 17.4440 17.4440 17.9621 17.9621 20.5376 20.5376 20.6042 20.6042 21.5385 21.5385 21.6035 21.6035 21.9886 21.9886 k = 0.4805 0.2774 0.2679 ( 4709 PWs) bands (ev): -52.0722 -52.0722 -52.0722 -52.0722 -35.9662 -35.9662 -24.6979 -24.6979 -24.6890 -24.6890 -21.5477 -21.5477 -21.5426 -21.5426 -21.5171 -21.5171 -21.5141 -21.5141 -13.5142 -13.5142 -11.4353 -11.4353 -11.4121 -11.4121 12.7784 12.7784 14.1149 14.1149 14.8706 14.8706 14.9332 14.9332 15.9395 15.9395 16.0339 16.0339 16.1012 16.1012 16.8685 16.8685 16.9207 16.9207 17.3608 17.3608 17.4378 17.4378 17.9710 17.9710 20.5387 20.5387 20.6062 20.6062 21.5110 21.5110 21.5898 21.5898 21.9829 21.9829 k = 0.4766 0.2751 0.2807 ( 4708 PWs) bands (ev): -52.0722 -52.0722 -52.0721 -52.0721 -35.9662 -35.9662 -24.6979 -24.6979 -24.6891 -24.6891 -21.5502 -21.5502 -21.5443 -21.5443 -21.5148 -21.5148 -21.5122 -21.5122 -13.5142 -13.5142 -11.4352 -11.4352 -11.4123 -11.4123 12.7706 12.7706 14.1244 14.1244 14.8756 14.8756 14.9422 14.9422 15.9307 15.9307 16.0215 16.0215 16.1035 16.1035 16.8879 16.8879 16.9505 16.9505 17.3528 17.3528 17.4307 17.4307 17.9818 17.9818 20.5396 20.5396 20.6085 20.6085 21.4772 21.4772 21.5754 21.5754 21.9765 21.9765 k = 0.4727 0.2729 0.2934 ( 4708 PWs) bands (ev): -52.0722 -52.0722 -52.0721 -52.0721 -35.9663 -35.9663 -24.6978 -24.6978 -24.6891 -24.6891 -21.5528 -21.5528 -21.5460 -21.5460 -21.5125 -21.5125 -21.5101 -21.5101 -13.5141 -13.5141 -11.4350 -11.4350 -11.4124 -11.4124 12.7617 12.7617 14.1353 14.1353 14.8794 14.8794 14.9536 14.9536 15.9199 15.9199 16.0075 16.0075 16.1108 16.1108 16.9092 16.9092 16.9823 16.9823 17.3436 17.3436 17.4233 17.4233 17.9945 17.9945 20.5402 20.5402 20.6109 20.6109 21.4381 21.4381 21.5602 21.5602 21.9694 21.9694 k = 0.4688 0.2706 0.3062 ( 4715 PWs) bands (ev): -52.0722 -52.0722 -52.0721 -52.0721 -35.9663 -35.9663 -24.6979 -24.6979 -24.6892 -24.6892 -21.5554 -21.5554 -21.5478 -21.5478 -21.5102 -21.5102 -21.5080 -21.5080 -13.5140 -13.5140 -11.4348 -11.4348 -11.4126 -11.4126 12.7520 12.7520 14.1476 14.1476 14.8810 14.8810 14.9676 14.9676 15.9075 15.9075 15.9931 15.9931 16.1232 16.1232 16.9319 16.9319 17.0146 17.0146 17.3336 17.3336 17.4161 17.4161 18.0090 18.0090 20.5402 20.5402 20.6132 20.6132 21.3952 21.3952 21.5444 21.5444 21.9617 21.9617 k = 0.4648 0.2684 0.3189 ( 4710 PWs) bands (ev): -52.0722 -52.0722 -52.0721 -52.0721 -35.9664 -35.9664 -24.6979 -24.6979 -24.6893 -24.6893 -21.5580 -21.5580 -21.5495 -21.5495 -21.5080 -21.5080 -21.5058 -21.5058 -13.5139 -13.5139 -11.4346 -11.4346 -11.4128 -11.4128 12.7416 12.7416 14.1611 14.1611 14.8797 14.8797 14.9846 14.9846 15.8939 15.8939 15.9789 15.9789 16.1410 16.1410 16.9554 16.9554 17.0458 17.0458 17.3234 17.3234 17.4099 17.4099 18.0249 18.0249 20.5393 20.5393 20.6153 20.6153 21.3494 21.3494 21.5283 21.5283 21.9535 21.9535 k = 0.4609 0.2661 0.3317 ( 4706 PWs) bands (ev): -52.0723 -52.0723 -52.0721 -52.0721 -35.9664 -35.9664 -24.6979 -24.6979 -24.6893 -24.6893 -21.5606 -21.5606 -21.5512 -21.5512 -21.5057 -21.5057 -21.5036 -21.5036 -13.5137 -13.5137 -11.4343 -11.4343 -11.4130 -11.4130 12.7306 12.7306 14.1758 14.1758 14.8752 14.8752 15.0043 15.0043 15.8796 15.8796 15.9652 15.9652 16.1643 16.1643 16.9789 16.9789 17.0741 17.0741 17.3140 17.3140 17.4059 17.4059 18.0422 18.0422 20.5372 20.5372 20.6168 20.6168 21.3021 21.3021 21.5121 21.5121 21.9448 21.9448 k = 0.4570 0.2639 0.3445 ( 4710 PWs) bands (ev): -52.0723 -52.0723 -52.0720 -52.0720 -35.9665 -35.9665 -24.6979 -24.6979 -24.6894 -24.6894 -21.5632 -21.5632 -21.5529 -21.5529 -21.5036 -21.5036 -21.5014 -21.5014 -13.5136 -13.5136 -11.4341 -11.4341 -11.4132 -11.4132 12.7193 12.7193 14.1914 14.1914 14.8673 14.8673 15.0269 15.0269 15.8653 15.8653 15.9520 15.9520 16.1932 16.1932 17.0013 17.0013 17.0971 17.0971 17.3069 17.3069 17.4054 17.4054 18.0606 18.0606 20.5336 20.5336 20.6175 20.6175 21.2543 21.2543 21.4962 21.4962 21.9356 21.9356 k = 0.4531 0.2616 0.3572 ( 4706 PWs) bands (ev): -52.0723 -52.0723 -52.0720 -52.0720 -35.9665 -35.9665 -24.6979 -24.6979 -24.6895 -24.6895 -21.5658 -21.5658 -21.5546 -21.5546 -21.5014 -21.5014 -21.4993 -21.4993 -13.5135 -13.5135 -11.4338 -11.4338 -11.4135 -11.4135 12.7078 12.7078 14.2080 14.2080 14.8561 14.8561 15.0520 15.0520 15.8511 15.8511 15.9393 15.9393 16.2278 16.2278 17.0210 17.0210 17.1126 17.1126 17.3041 17.3041 17.4100 17.4100 18.0797 18.0797 20.5283 20.5283 20.6171 20.6171 21.2071 21.2071 21.4811 21.4811 21.9259 21.9259 k = 0.4492 0.2594 0.3700 ( 4704 PWs) bands (ev): -52.0723 -52.0723 -52.0720 -52.0720 -35.9666 -35.9666 -24.6979 -24.6979 -24.6895 -24.6895 -21.5683 -21.5683 -21.5562 -21.5562 -21.4993 -21.4993 -21.4971 -21.4971 -13.5133 -13.5133 -11.4335 -11.4335 -11.4137 -11.4137 12.6962 12.6962 14.2252 14.2252 14.8417 14.8417 15.0795 15.0795 15.8374 15.8374 15.9272 15.9272 16.2682 16.2682 17.0363 17.0363 17.1191 17.1191 17.3073 17.3073 17.4207 17.4207 18.0991 18.0991 20.5209 20.5209 20.6150 20.6150 21.1613 21.1613 21.4673 21.4673 21.9157 21.9157 k = 0.4453 0.2571 0.3827 ( 4709 PWs) bands (ev): -52.0724 -52.0724 -52.0719 -52.0719 -35.9667 -35.9667 -24.6980 -24.6980 -24.6896 -24.6896 -21.5708 -21.5708 -21.5577 -21.5577 -21.4973 -21.4973 -21.4950 -21.4950 -13.5132 -13.5132 -11.4332 -11.4332 -11.4139 -11.4139 12.6846 12.6846 14.2431 14.2431 14.8246 14.8246 15.1093 15.1093 15.8242 15.8242 15.9155 15.9155 16.3141 16.3141 17.0455 17.0455 17.1167 17.1167 17.3179 17.3179 17.4379 17.4379 18.1187 18.1187 20.5111 20.5111 20.6112 20.6112 21.1179 21.1179 21.4554 21.4554 21.9050 21.9050 k = 0.4414 0.2548 0.3955 ( 4711 PWs) bands (ev): -52.0724 -52.0724 -52.0718 -52.0718 -35.9667 -35.9667 -24.6981 -24.6981 -24.6896 -24.6896 -21.5733 -21.5733 -21.5592 -21.5592 -21.4953 -21.4953 -21.4929 -21.4929 -13.5130 -13.5130 -11.4330 -11.4330 -11.4142 -11.4142 12.6731 12.6731 14.2614 14.2614 14.8050 14.8050 15.1414 15.1414 15.8115 15.8115 15.9044 15.9044 16.3653 16.3653 17.0475 17.0475 17.1073 17.1073 17.3357 17.3357 17.4604 17.4604 18.1379 18.1379 20.4987 20.4987 20.6051 20.6051 21.0776 21.0776 21.4457 21.4457 21.8939 21.8939 k = 0.4375 0.2526 0.4082 ( 4719 PWs) bands (ev): -52.0725 -52.0725 -52.0718 -52.0718 -35.9668 -35.9668 -24.6982 -24.6982 -24.6896 -24.6896 -21.5758 -21.5758 -21.5606 -21.5606 -21.4935 -21.4935 -21.4909 -21.4909 -13.5129 -13.5129 -11.4327 -11.4327 -11.4144 -11.4144 12.6619 12.6619 14.2800 14.2800 14.7836 14.7836 15.1755 15.1755 15.7994 15.7994 15.8938 15.8938 16.4211 16.4211 17.0426 17.0426 17.0931 17.0931 17.3602 17.3602 17.4869 17.4869 18.1564 18.1564 20.4836 20.4836 20.5967 20.5967 21.0408 21.0408 21.4388 21.4388 21.8825 21.8825 k = 0.4336 0.2503 0.4210 ( 4713 PWs) bands (ev): -52.0726 -52.0726 -52.0717 -52.0717 -35.9669 -35.9669 -24.6984 -24.6984 -24.6896 -24.6896 -21.5782 -21.5782 -21.5619 -21.5619 -21.4917 -21.4917 -21.4888 -21.4888 -13.5127 -13.5127 -11.4325 -11.4325 -11.4146 -11.4146 12.6509 12.6509 14.2987 14.2987 14.7608 14.7608 15.2117 15.2117 15.7876 15.7876 15.8837 15.8837 16.4809 16.4809 17.0317 17.0317 17.0759 17.0759 17.3902 17.3902 17.5157 17.5157 18.1738 18.1738 20.4655 20.4655 20.5861 20.5861 21.0079 21.0079 21.4350 21.4350 21.8708 21.8708 k = 0.4297 0.2481 0.4338 ( 4708 PWs) bands (ev): -52.0726 -52.0726 -52.0716 -52.0716 -35.9669 -35.9669 -24.6985 -24.6985 -24.6895 -24.6895 -21.5806 -21.5806 -21.5631 -21.5631 -21.4900 -21.4900 -21.4867 -21.4867 -13.5126 -13.5126 -11.4322 -11.4322 -11.4148 -11.4148 12.6403 12.6403 14.3172 14.3172 14.7373 14.7373 15.2499 15.2499 15.7763 15.7763 15.8742 15.8742 16.5436 16.5436 17.0157 17.0157 17.0576 17.0576 17.4244 17.4244 17.5456 17.5456 18.1900 18.1900 20.4445 20.4445 20.5733 20.5733 20.9788 20.9788 21.4346 21.4346 21.8590 21.8590 k = 0.4258 0.2458 0.4465 ( 4707 PWs) bands (ev): -52.0727 -52.0727 -52.0715 -52.0715 -35.9670 -35.9670 -24.6988 -24.6988 -24.6894 -24.6894 -21.5829 -21.5829 -21.5642 -21.5642 -21.4884 -21.4884 -21.4847 -21.4847 -13.5124 -13.5124 -11.4320 -11.4320 -11.4149 -11.4149 12.6300 12.6300 14.3353 14.3353 14.7135 14.7135 15.2899 15.2899 15.7653 15.7653 15.8653 15.8653 16.6079 16.6079 16.9956 16.9956 17.0401 17.0401 17.4618 17.4618 17.5759 17.5759 18.2046 18.2046 20.4206 20.4206 20.5590 20.5590 20.9532 20.9532 21.4378 21.4378 21.8472 21.8472 k = 0.4219 0.2436 0.4593 ( 4703 PWs) bands (ev): -52.0728 -52.0728 -52.0714 -52.0714 -35.9671 -35.9671 -24.6990 -24.6990 -24.6892 -24.6892 -21.5852 -21.5852 -21.5653 -21.5653 -21.4870 -21.4870 -21.4827 -21.4827 -13.5122 -13.5122 -11.4319 -11.4319 -11.4150 -11.4150 12.6202 12.6202 14.3526 14.3526 14.6901 14.6901 15.3317 15.3317 15.7547 15.7547 15.8570 15.8570 16.6713 16.6713 16.9719 16.9719 17.0260 17.0260 17.5015 17.5015 17.6060 17.6060 18.2174 18.2174 20.3939 20.3939 20.5438 20.5438 20.9306 20.9306 21.4446 21.4446 21.8358 21.8358 k = 0.4180 0.2413 0.4720 ( 4705 PWs) bands (ev): -52.0729 -52.0729 -52.0713 -52.0713 -35.9672 -35.9672 -24.6993 -24.6993 -24.6890 -24.6890 -21.5875 -21.5875 -21.5662 -21.5662 -21.4857 -21.4857 -21.4807 -21.4807 -13.5121 -13.5121 -11.4317 -11.4317 -11.4151 -11.4151 12.6108 12.6108 14.3689 14.3689 14.6676 14.6676 15.3751 15.3751 15.7444 15.7444 15.8493 15.8493 16.7297 16.7297 16.9451 16.9451 17.0192 17.0192 17.5426 17.5426 17.6356 17.6356 18.2282 18.2282 20.3647 20.3647 20.5282 20.5282 20.9104 20.9104 21.4551 21.4551 21.8247 21.8247 k = 0.4141 0.2391 0.4848 ( 4705 PWs) bands (ev): -52.0730 -52.0730 -52.0712 -52.0712 -35.9672 -35.9672 -24.6997 -24.6997 -24.6888 -24.6888 -21.5897 -21.5897 -21.5670 -21.5670 -21.4845 -21.4845 -21.4787 -21.4787 -13.5119 -13.5119 -11.4316 -11.4316 -11.4152 -11.4152 12.6017 12.6017 14.3836 14.3836 14.6464 14.6464 15.4201 15.4201 15.7345 15.7345 15.8422 15.8422 16.7764 16.7764 16.9159 16.9159 17.0257 17.0257 17.5845 17.5845 17.6650 17.6650 18.2371 18.2371 20.3333 20.3333 20.5130 20.5130 20.8922 20.8922 21.4693 21.4693 21.8145 21.8145 k = 0.4102 0.2368 0.4976 ( 4703 PWs) bands (ev): -52.0731 -52.0731 -52.0711 -52.0711 -35.9673 -35.9673 -24.7001 -24.7001 -24.6885 -24.6885 -21.5918 -21.5918 -21.5677 -21.5677 -21.4835 -21.4835 -21.4768 -21.4768 -13.5118 -13.5118 -11.4315 -11.4315 -11.4152 -11.4152 12.5931 12.5931 14.3964 14.3964 14.6272 14.6272 15.4664 15.4664 15.7252 15.7252 15.8358 15.8358 16.8037 16.8037 16.8852 16.8852 17.0517 17.0517 17.6262 17.6262 17.6949 17.6949 18.2440 18.2440 20.3000 20.3000 20.4986 20.4986 20.8754 20.8754 21.4870 21.4870 21.8052 21.8052 k = 0.4062 0.2345 0.5103 ( 4703 PWs) bands (ev): -52.0732 -52.0732 -52.0709 -52.0709 -35.9674 -35.9674 -24.7005 -24.7005 -24.6881 -24.6881 -21.5940 -21.5940 -21.5683 -21.5683 -21.4827 -21.4827 -21.4748 -21.4748 -13.5117 -13.5117 -11.4315 -11.4315 -11.4152 -11.4152 12.5849 12.5849 14.4068 14.4068 14.6102 14.6102 15.5138 15.5138 15.7165 15.7165 15.8301 15.8301 16.8103 16.8103 16.8541 16.8541 17.0965 17.0965 17.6667 17.6667 17.7263 17.7263 18.2491 18.2491 20.2651 20.2651 20.4854 20.4854 20.8599 20.8599 21.5082 21.5082 21.7971 21.7971 k = 0.4023 0.2323 0.5231 ( 4703 PWs) bands (ev): -52.0734 -52.0734 -52.0708 -52.0708 -35.9674 -35.9674 -24.7010 -24.7010 -24.6877 -24.6877 -21.5960 -21.5960 -21.5687 -21.5687 -21.4819 -21.4819 -21.4729 -21.4729 -13.5115 -13.5115 -11.4315 -11.4315 -11.4151 -11.4151 12.5771 12.5771 14.4144 14.4144 14.5957 14.5957 15.5620 15.5620 15.7087 15.7087 15.8252 15.8252 16.8001 16.8001 16.8255 16.8255 17.1521 17.1521 17.7051 17.7051 17.7609 17.7609 18.2527 18.2527 20.2290 20.2290 20.4736 20.4736 20.8458 20.8458 21.5326 21.5326 21.7905 21.7905 k = 0.3984 0.2300 0.5358 ( 4702 PWs) bands (ev): -52.0735 -52.0735 -52.0706 -52.0706 -35.9675 -35.9675 -24.7016 -24.7016 -24.6873 -24.6873 -21.5980 -21.5980 -21.5690 -21.5690 -21.4814 -21.4814 -21.4711 -21.4711 -13.5114 -13.5114 -11.4316 -11.4316 -11.4151 -11.4151 12.5696 12.5696 14.4193 14.4193 14.5837 14.5837 15.6104 15.6104 15.7022 15.7022 15.8212 15.8212 16.7750 16.7750 16.8041 16.8041 17.2100 17.2100 17.7416 17.7416 17.7994 17.7994 18.2550 18.2550 20.1922 20.1922 20.4632 20.4632 20.8332 20.8332 21.5601 21.5601 21.7855 21.7855 k = 0.3945 0.2278 0.5486 ( 4706 PWs) bands (ev): -52.0737 -52.0737 -52.0705 -52.0705 -35.9675 -35.9675 -24.7021 -24.7021 -24.6868 -24.6868 -21.6000 -21.6000 -21.5693 -21.5693 -21.4809 -21.4809 -21.4693 -21.4693 -13.5113 -13.5113 -11.4317 -11.4317 -11.4149 -11.4149 12.5624 12.5624 14.4217 14.4217 14.5735 14.5735 15.6573 15.6573 15.6981 15.6981 15.8186 15.8186 16.7430 16.7430 16.7855 16.7855 17.2647 17.2647 17.7782 17.7782 17.8410 17.8410 18.2568 18.2568 20.1549 20.1549 20.4542 20.4542 20.8225 20.8225 21.5905 21.5905 21.7821 21.7821 k = 0.3906 0.2255 0.5613 ( 4710 PWs) bands (ev): -52.0738 -52.0738 -52.0703 -52.0703 -35.9676 -35.9676 -24.7028 -24.7028 -24.6863 -24.6863 -21.6019 -21.6019 -21.5694 -21.5694 -21.4806 -21.4806 -21.4675 -21.4675 -13.5112 -13.5112 -11.4318 -11.4318 -11.4148 -11.4148 12.5555 12.5555 14.4222 14.4222 14.5643 14.5643 15.6866 15.6866 15.7112 15.7112 15.8187 15.8187 16.7095 16.7095 16.7662 16.7662 17.3120 17.3120 17.8173 17.8173 17.8844 17.8844 18.2589 18.2589 20.1176 20.1176 20.4466 20.4466 20.8142 20.8142 21.6234 21.6234 21.7804 21.7804 k = 0.3867 0.2233 0.5741 ( 4706 PWs) bands (ev): -52.0740 -52.0740 -52.0701 -52.0701 -35.9676 -35.9676 -24.7034 -24.7034 -24.6857 -24.6857 -21.6037 -21.6037 -21.5694 -21.5694 -21.4804 -21.4804 -21.4658 -21.4658 -13.5112 -13.5112 -11.4320 -11.4320 -11.4146 -11.4146 12.5489 12.5489 14.4216 14.4216 14.5550 14.5550 15.6880 15.6880 15.7473 15.7473 15.8258 15.8258 16.6764 16.6764 16.7458 16.7458 17.3492 17.3492 17.8599 17.8599 17.9286 17.9286 18.2627 18.2627 20.0805 20.0805 20.4403 20.4403 20.8087 20.8087 21.6582 21.6582 21.7804 21.7804 k = 0.3828 0.2210 0.5869 ( 4714 PWs) bands (ev): -52.0742 -52.0742 -52.0699 -52.0699 -35.9677 -35.9677 -24.7041 -24.7041 -24.6851 -24.6851 -21.6055 -21.6055 -21.5692 -21.5692 -21.4804 -21.4804 -21.4641 -21.4641 -13.5111 -13.5111 -11.4321 -11.4321 -11.4144 -11.4144 12.5425 12.5425 14.4208 14.4208 14.5444 14.5444 15.6890 15.6890 15.7698 15.7698 15.8485 15.8485 16.6446 16.6446 16.7243 16.7243 17.3755 17.3755 17.9049 17.9049 17.9731 17.9731 18.2702 18.2702 20.0440 20.0440 20.4354 20.4354 20.8065 20.8065 21.6934 21.6934 21.7826 21.7826 k = 0.3789 0.2188 0.5996 ( 4704 PWs) bands (ev): -52.0744 -52.0744 -52.0697 -52.0697 -35.9677 -35.9677 -24.7048 -24.7048 -24.6845 -24.6845 -21.6072 -21.6072 -21.5689 -21.5689 -21.4805 -21.4805 -21.4625 -21.4625 -13.5111 -13.5111 -11.4323 -11.4323 -11.4142 -11.4142 12.5362 12.5362 14.4203 14.4203 14.5316 14.5316 15.6921 15.6921 15.7768 15.7768 15.8854 15.8854 16.6151 16.6151 16.7015 16.7015 17.3914 17.3914 17.9488 17.9488 18.0174 18.0174 18.2844 18.2844 20.0083 20.0083 20.4320 20.4320 20.8077 20.8077 21.7246 21.7246 21.7887 21.7887 k = 0.3750 0.2165 0.6124 ( 4714 PWs) bands (ev): -52.0746 -52.0746 -52.0695 -52.0695 -35.9677 -35.9677 -24.7055 -24.7055 -24.6838 -24.6838 -21.6088 -21.6088 -21.5686 -21.5686 -21.4808 -21.4808 -21.4609 -21.4609 -13.5110 -13.5110 -11.4325 -11.4325 -11.4140 -11.4140 12.5301 12.5301 14.4205 14.4205 14.5163 14.5163 15.6977 15.6977 15.7772 15.7772 15.9262 15.9262 16.5894 16.5894 16.6772 16.6772 17.3984 17.3984 17.9871 17.9871 18.0612 18.0612 18.3087 18.3087 19.9739 19.9739 20.4304 20.4304 20.8125 20.8125 21.7374 21.7374 21.7897 21.7897 k = 0.6250-0.0722 0.4082 ( 4714 PWs) bands (ev): -52.0746 -52.0746 -52.0695 -52.0695 -35.9677 -35.9677 -24.7055 -24.7055 -24.6838 -24.6838 -21.6088 -21.6088 -21.5686 -21.5686 -21.4808 -21.4808 -21.4609 -21.4609 -13.5110 -13.5110 -11.4325 -11.4325 -11.4140 -11.4140 12.5301 12.5301 14.4205 14.4205 14.5163 14.5163 15.6977 15.6977 15.7772 15.7772 15.9262 15.9262 16.5894 16.5894 16.6772 16.6772 17.3984 17.3984 17.9871 17.9871 18.0612 18.0612 18.3087 18.3087 19.9739 19.9739 20.4304 20.4304 20.8125 20.8125 21.7374 21.7374 21.7897 21.7897 k = 0.6184-0.0836 0.4082 ( 4706 PWs) bands (ev): -52.0750 -52.0750 -52.0692 -52.0692 -35.9677 -35.9677 -24.7067 -24.7067 -24.6826 -24.6826 -21.6114 -21.6114 -21.5677 -21.5677 -21.4813 -21.4813 -21.4583 -21.4583 -13.5110 -13.5110 -11.4329 -11.4329 -11.4136 -11.4136 12.5195 12.5195 14.4198 14.4198 14.4908 14.4908 15.7092 15.7092 15.7747 15.7747 15.9956 15.9956 16.5504 16.5504 16.6344 16.6344 17.3993 17.3993 18.0452 18.0452 18.1342 18.1342 18.3643 18.3643 19.9165 19.9165 20.4298 20.4298 20.8226 20.8226 21.6701 21.6701 21.7476 21.7476 k = 0.6118-0.0950 0.4082 ( 4710 PWs) bands (ev): -52.0753 -52.0753 -52.0688 -52.0688 -35.9678 -35.9678 -24.7079 -24.7079 -24.6815 -24.6815 -21.6140 -21.6140 -21.5670 -21.5670 -21.4818 -21.4818 -21.4559 -21.4559 -13.5110 -13.5110 -11.4333 -11.4333 -11.4132 -11.4132 12.5082 12.5082 14.4149 14.4149 14.4720 14.4720 15.7201 15.7201 15.7728 15.7728 16.0666 16.0666 16.5122 16.5122 16.5905 16.5905 17.3914 17.3914 18.1046 18.1046 18.2075 18.2075 18.4286 18.4286 19.8583 19.8583 20.4305 20.4305 20.8315 20.8315 21.5452 21.5452 21.7428 21.7428 k = 0.6053-0.1064 0.4082 ( 4700 PWs) bands (ev): -52.0756 -52.0756 -52.0685 -52.0685 -35.9678 -35.9678 -24.7091 -24.7091 -24.6804 -24.6804 -21.6165 -21.6165 -21.5662 -21.5662 -21.4823 -21.4823 -21.4535 -21.4535 -13.5110 -13.5110 -11.4337 -11.4337 -11.4128 -11.4128 12.4964 12.4964 14.4037 14.4037 14.4618 14.4618 15.7305 15.7305 15.7722 15.7722 16.1381 16.1381 16.4750 16.4750 16.5463 16.5463 17.3757 17.3757 18.1645 18.1645 18.2811 18.2811 18.5001 18.5001 19.7995 19.7995 20.4320 20.4320 20.8391 20.8391 21.4175 21.4175 21.7419 21.7419 k = 0.5987-0.1177 0.4082 ( 4700 PWs) bands (ev): -52.0759 -52.0759 -52.0682 -52.0682 -35.9678 -35.9678 -24.7102 -24.7102 -24.6793 -24.6793 -21.6188 -21.6188 -21.5654 -21.5654 -21.4828 -21.4828 -21.4513 -21.4513 -13.5109 -13.5109 -11.4341 -11.4341 -11.4124 -11.4124 12.4843 12.4843 14.3876 14.3876 14.4586 14.4586 15.7401 15.7401 15.7734 15.7734 16.2097 16.2097 16.4387 16.4387 16.5028 16.5028 17.3536 17.3536 18.2241 18.2241 18.3550 18.3550 18.5773 18.5773 19.7403 19.7403 20.4340 20.4340 20.8453 20.8453 21.2914 21.2914 21.7421 21.7421 k = 0.5921-0.1291 0.4082 ( 4700 PWs) bands (ev): -52.0762 -52.0762 -52.0679 -52.0679 -35.9678 -35.9678 -24.7113 -24.7113 -24.6784 -24.6784 -21.6211 -21.6211 -21.5647 -21.5647 -21.4833 -21.4833 -21.4491 -21.4491 -13.5110 -13.5110 -11.4345 -11.4345 -11.4120 -11.4120 12.4720 12.4720 14.3702 14.3702 14.4591 14.4591 15.7485 15.7485 15.7769 15.7769 16.2804 16.2804 16.4039 16.4039 16.4605 16.4605 17.3265 17.3265 18.2827 18.2827 18.4289 18.4289 18.6586 18.6586 19.6811 19.6811 20.4363 20.4363 20.8501 20.8501 21.1680 21.1680 21.7425 21.7425 k = 0.5855-0.1405 0.4082 ( 4696 PWs) bands (ev): -52.0765 -52.0765 -52.0676 -52.0676 -35.9678 -35.9678 -24.7122 -24.7122 -24.6774 -24.6774 -21.6232 -21.6232 -21.5640 -21.5640 -21.4837 -21.4837 -21.4471 -21.4471 -13.5110 -13.5110 -11.4349 -11.4349 -11.4116 -11.4116 12.4598 12.4598 14.3532 14.3532 14.4612 14.4612 15.7553 15.7553 15.7831 15.7831 16.3425 16.3425 16.3765 16.3765 16.4214 16.4214 17.2955 17.2955 18.3399 18.3399 18.5027 18.5027 18.7423 18.7423 19.6223 19.6223 20.4386 20.4386 20.8525 20.8525 21.0486 21.0486 21.7427 21.7427 k = 0.5789-0.1519 0.4082 ( 4708 PWs) bands (ev): -52.0767 -52.0767 -52.0674 -52.0674 -35.9678 -35.9678 -24.7132 -24.7132 -24.6766 -24.6766 -21.6252 -21.6252 -21.5633 -21.5633 -21.4841 -21.4841 -21.4453 -21.4453 -13.5110 -13.5110 -11.4352 -11.4352 -11.4112 -11.4112 12.4478 12.4478 14.3373 14.3373 14.4642 14.4642 15.7609 15.7609 15.7917 15.7917 16.3304 16.3304 16.3756 16.3756 16.4320 16.4320 17.2620 17.2620 18.3950 18.3950 18.5763 18.5763 18.8269 18.8269 19.5642 19.5642 20.4407 20.4407 20.8471 20.8471 20.9390 20.9390 21.7423 21.7423 k = 0.5724-0.1633 0.4082 ( 4708 PWs) bands (ev): -52.0769 -52.0769 -52.0672 -52.0672 -35.9678 -35.9678 -24.7141 -24.7141 -24.6757 -24.6757 -21.6271 -21.6271 -21.5627 -21.5627 -21.4845 -21.4845 -21.4435 -21.4435 -13.5110 -13.5110 -11.4356 -11.4356 -11.4109 -11.4109 12.4362 12.4362 14.3229 14.3229 14.4676 14.4676 15.7662 15.7662 15.8018 15.8018 16.2988 16.2988 16.3413 16.3413 16.4975 16.4975 17.2270 17.2270 18.4476 18.4476 18.6492 18.6492 18.9110 18.9110 19.5078 19.5078 20.4423 20.4423 20.7908 20.7908 20.8826 20.8826 21.7412 21.7412 k = 0.5658-0.1747 0.4082 ( 4710 PWs) bands (ev): -52.0772 -52.0772 -52.0669 -52.0669 -35.9678 -35.9678 -24.7149 -24.7149 -24.6750 -24.6750 -21.6288 -21.6288 -21.5621 -21.5621 -21.4849 -21.4849 -21.4419 -21.4419 -13.5110 -13.5110 -11.4359 -11.4359 -11.4105 -11.4105 12.4251 12.4251 14.3100 14.3100 14.4711 14.4711 15.7715 15.7715 15.8127 15.8127 16.2672 16.2672 16.3080 16.3080 16.5639 16.5639 17.1915 17.1915 18.4974 18.4974 18.7210 18.7210 18.9933 18.9933 19.4540 19.4540 20.4431 20.4431 20.6872 20.6872 20.8761 20.8761 21.7395 21.7395 k = 0.5592-0.1861 0.4082 ( 4716 PWs) bands (ev): -52.0774 -52.0774 -52.0667 -52.0667 -35.9678 -35.9678 -24.7156 -24.7156 -24.6744 -24.6744 -21.6303 -21.6303 -21.5616 -21.5616 -21.4852 -21.4852 -21.4405 -21.4405 -13.5110 -13.5110 -11.4362 -11.4362 -11.4102 -11.4102 12.4147 12.4147 14.2985 14.2985 14.4747 14.4747 15.7773 15.7773 15.8240 15.8240 16.2368 16.2368 16.2773 16.2773 16.6282 16.6282 17.1563 17.1563 18.5438 18.5438 18.7906 18.7906 19.0725 19.0725 19.4043 19.4043 20.4428 20.4428 20.5807 20.5807 20.8759 20.8759 21.7371 21.7371 k = 0.5526-0.1975 0.4082 ( 4716 PWs) bands (ev): -52.0775 -52.0775 -52.0666 -52.0666 -35.9679 -35.9679 -24.7163 -24.7163 -24.6737 -24.6737 -21.6317 -21.6317 -21.5611 -21.5611 -21.4855 -21.4855 -21.4392 -21.4392 -13.5111 -13.5111 -11.4365 -11.4365 -11.4100 -11.4100 12.4051 12.4051 14.2886 14.2886 14.4782 14.4782 15.7834 15.7834 15.8353 15.8353 16.2080 16.2080 16.2493 16.2493 16.6894 16.6894 17.1224 17.1224 18.5865 18.5865 18.8563 18.8563 19.1472 19.1472 19.3613 19.3613 20.4360 20.4360 20.4819 20.4819 20.8767 20.8767 21.7342 21.7342 k = 0.5461-0.2089 0.4082 ( 4726 PWs) bands (ev): -52.0777 -52.0777 -52.0664 -52.0664 -35.9679 -35.9679 -24.7169 -24.7169 -24.6732 -24.6732 -21.6330 -21.6330 -21.5607 -21.5607 -21.4858 -21.4858 -21.4380 -21.4380 -13.5111 -13.5111 -11.4368 -11.4368 -11.4097 -11.4097 12.3963 12.3963 14.2800 14.2800 14.4815 14.4815 15.7900 15.7900 15.8463 15.8463 16.1813 16.1813 16.2242 16.2242 16.7464 16.7464 17.0906 17.0906 18.6251 18.6251 18.9152 18.9152 19.2153 19.2153 19.3293 19.3293 20.3655 20.3655 20.4494 20.4494 20.8776 20.8776 21.7309 21.7309 k = 0.5395-0.2203 0.4082 ( 4730 PWs) bands (ev): -52.0778 -52.0778 -52.0663 -52.0663 -35.9679 -35.9679 -24.7175 -24.7175 -24.6727 -24.6727 -21.6341 -21.6341 -21.5603 -21.5603 -21.4861 -21.4861 -21.4370 -21.4370 -13.5111 -13.5111 -11.4370 -11.4370 -11.4095 -11.4095 12.3885 12.3885 14.2727 14.2727 14.4845 14.4845 15.7967 15.7967 15.8567 15.8567 16.1572 16.1572 16.2020 16.2020 16.7983 16.7983 17.0617 17.0617 18.6594 18.6594 18.9618 18.9618 19.2711 19.2711 19.3189 19.3189 20.2690 20.2690 20.4460 20.4460 20.8784 20.8784 21.7273 21.7273 k = 0.5329-0.2317 0.4082 ( 4738 PWs) bands (ev): -52.0779 -52.0779 -52.0662 -52.0662 -35.9679 -35.9679 -24.7179 -24.7179 -24.6723 -24.6723 -21.6350 -21.6350 -21.5599 -21.5599 -21.4863 -21.4863 -21.4362 -21.4362 -13.5111 -13.5111 -11.4372 -11.4372 -11.4093 -11.4093 12.3818 12.3818 14.2667 14.2667 14.4872 14.4872 15.8034 15.8034 15.8662 15.8662 16.1360 16.1360 16.1828 16.1828 16.8437 16.8437 17.0367 17.0367 18.6891 18.6891 18.9904 18.9904 19.3009 19.3009 19.3491 19.3491 20.1751 20.1751 20.4440 20.4440 20.8791 20.8791 21.7237 21.7237 k = 0.5263-0.2431 0.4082 ( 4742 PWs) bands (ev): -52.0780 -52.0780 -52.0661 -52.0661 -35.9679 -35.9679 -24.7183 -24.7183 -24.6720 -24.6720 -21.6358 -21.6358 -21.5597 -21.5597 -21.4864 -21.4864 -21.4355 -21.4355 -13.5111 -13.5111 -11.4374 -11.4374 -11.4091 -11.4091 12.3762 12.3762 14.2619 14.2619 14.4894 14.4894 15.8097 15.8097 15.8744 15.8744 16.1180 16.1180 16.1666 16.1666 16.8811 16.8811 17.0169 17.0169 18.7139 18.7139 18.9998 18.9998 19.3321 19.3321 19.3924 19.3924 20.0861 20.0861 20.4421 20.4421 20.8797 20.8797 21.7203 21.7203 k = 0.5197-0.2545 0.4082 ( 4734 PWs) bands (ev): -52.0781 -52.0781 -52.0660 -52.0660 -35.9679 -35.9679 -24.7185 -24.7185 -24.6717 -24.6717 -21.6364 -21.6364 -21.5594 -21.5594 -21.4865 -21.4865 -21.4349 -21.4349 -13.5111 -13.5111 -11.4375 -11.4375 -11.4090 -11.4090 12.3717 12.3717 14.2582 14.2582 14.4912 14.4912 15.8153 15.8153 15.8812 15.8812 16.1035 16.1035 16.1538 16.1538 16.9084 16.9084 17.0039 17.0039 18.7335 18.7335 18.9966 18.9966 19.3760 19.3760 19.4293 19.4293 20.0044 20.0044 20.4404 20.4404 20.8801 20.8801 21.7174 21.7174 k = 0.5132-0.2659 0.4082 ( 4724 PWs) bands (ev): -52.0781 -52.0781 -52.0659 -52.0659 -35.9679 -35.9679 -24.7187 -24.7187 -24.6715 -24.6715 -21.6368 -21.6368 -21.5592 -21.5592 -21.4866 -21.4866 -21.4345 -21.4345 -13.5111 -13.5111 -11.4376 -11.4376 -11.4089 -11.4089 12.3686 12.3686 14.2556 14.2556 14.4926 14.4926 15.8198 15.8198 15.8862 15.8862 16.0929 16.0929 16.1445 16.1445 16.9240 16.9240 16.9989 16.9989 18.7478 18.7478 18.9889 18.9889 19.4234 19.4234 19.4567 19.4567 19.9340 19.9340 20.4390 20.4390 20.8804 20.8804 21.7152 21.7152 k = 0.5066-0.2773 0.4082 ( 4720 PWs) bands (ev): -52.0782 -52.0782 -52.0659 -52.0659 -35.9679 -35.9679 -24.7189 -24.7189 -24.6714 -24.6714 -21.6371 -21.6371 -21.5591 -21.5591 -21.4867 -21.4867 -21.4342 -21.4342 -13.5112 -13.5112 -11.4377 -11.4377 -11.4088 -11.4088 12.3666 12.3666 14.2541 14.2541 14.4934 14.4934 15.8226 15.8226 15.8892 15.8892 16.0865 16.0865 16.1389 16.1389 16.9299 16.9299 16.9996 16.9996 18.7564 18.7564 18.9823 18.9823 19.4619 19.4619 19.4739 19.4739 19.8827 19.8827 20.4381 20.4381 20.8805 20.8805 21.7138 21.7138 k = 0.5000-0.2887 0.4082 ( 4720 PWs) bands (ev): -52.0782 -52.0782 -52.0659 -52.0659 -35.9679 -35.9679 -24.7189 -24.7189 -24.6713 -24.6713 -21.6372 -21.6372 -21.5591 -21.5591 -21.4867 -21.4867 -21.4341 -21.4341 -13.5112 -13.5112 -11.4377 -11.4377 -11.4088 -11.4088 12.3660 12.3660 14.2536 14.2536 14.4936 14.4936 15.8236 15.8236 15.8902 15.8902 16.0843 16.0843 16.1370 16.1370 16.9310 16.9310 17.0006 17.0006 18.7593 18.7593 18.9799 18.9799 19.4759 19.4759 19.4813 19.4813 19.8631 19.8631 20.4378 20.4378 20.8806 20.8806 21.7133 21.7133 Writing output data file NbAlRu2.save init_run : 0.19s CPU 0.32s WALL ( 1 calls) electrons : 166.37s CPU 168.67s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 166.36s CPU 168.66s 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 : 0.05s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.07s WALL ( 346 calls) cegterg : 148.92s CPU 150.72s WALL ( 378 calls) Called by sum_band: Called by *egterg: h_psi : 96.50s CPU 97.76s WALL ( 6301 calls) s_psi : 3.51s CPU 3.65s WALL ( 6301 calls) g_psi : 0.24s CPU 0.24s WALL ( 5577 calls) cdiaghg : 45.44s CPU 46.30s WALL ( 5923 calls) cegterg:over : 6.45s CPU 6.22s WALL ( 5577 calls) cegterg:upda : 5.32s CPU 5.22s WALL ( 5577 calls) cegterg:last : 3.23s CPU 3.27s WALL ( 1070 calls) cdiaghg:chol : 2.62s CPU 2.62s WALL ( 5923 calls) cdiaghg:inve : 1.80s CPU 1.77s WALL ( 5923 calls) cdiaghg:para : 2.67s CPU 2.85s WALL ( 11846 calls) Called by h_psi: h_psi:vloc : 84.82s CPU 85.97s WALL ( 6301 calls) h_psi:vnl : 11.40s CPU 11.54s WALL ( 6301 calls) add_vuspsi : 6.11s CPU 6.03s WALL ( 6301 calls) General routines calbec : 5.28s CPU 5.49s WALL ( 6301 calls) fft : 0.00s CPU 0.00s WALL ( 15 calls) fftw : 80.37s CPU 81.23s WALL ( 776556 calls) davcio : 0.17s CPU 0.24s WALL ( 692 calls) Parallel routines fft_scatter : 26.66s CPU 27.20s WALL ( 776571 calls) PWSCF : 3m 6.27s CPU 3m21.47s WALL This run was terminated on: 19:33:32 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=