Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:32:34 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: ./MnCu2Sb.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 40 40 11 1023 1023 154 Max 42 42 12 1024 1024 157 Sum 1483 1483 421 36853 36853 5601 bravais-lattice index = 14 lattice parameter (alat) = 8.1457 a.u. unit-cell volume = 382.1830 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 42.00 number of Kohn-Sham states= 50 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)= 8.145707 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 Mn read from file: /users/gautes/Pseudo/Mn.rel-pbe-oncvpsp.UPF MD5 check sum: d838f0974ec4eb0180564ac5264e0bcc Pseudo is Norm-conserving, Zval = 15.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1464 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. # 2 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 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 Mn 15.00 54.93800 Mn( 1.00) Sb 5.00 121.76000 Sb( 1.00) Cu 11.00 63.54600 Cu( 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 0.1538461), 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 0.3461539), 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 0.4711539), 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 0.5961539), 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 0.7211539), 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 0.6545455), 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 0.5045455), 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 0.3545455), 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 0.2454546), 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 0.2045455), 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 0.0954546), 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 0.5507813), 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 0.5820312), 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 0.5540541), 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: 36853 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.21 Mb ( 278, 50) NL pseudopotentials 0.29 Mb ( 139, 136) Each V/rho on FFT grid 0.07 Mb ( 4608) Each G-vector array 0.01 Mb ( 1024) G-vector shells 0.00 Mb ( 299) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.85 Mb ( 278, 200) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.21 Mb ( 136, 2, 50) The potential is recalculated from file : ./MnCu2Sb.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.7 secs Computing kpt #: 2 total cpu time spent up to now is 4.1 secs Computing kpt #: 3 total cpu time spent up to now is 4.5 secs Computing kpt #: 4 total cpu time spent up to now is 4.9 secs Computing kpt #: 5 total cpu time spent up to now is 5.3 secs Computing kpt #: 6 total cpu time spent up to now is 5.7 secs Computing kpt #: 7 total cpu time spent up to now is 6.1 secs Computing kpt #: 8 total cpu time spent up to now is 6.5 secs Computing kpt #: 9 total cpu time spent up to now is 6.9 secs Computing kpt #: 10 total cpu time spent up to now is 7.3 secs Computing kpt #: 11 total cpu time spent up to now is 7.7 secs Computing kpt #: 12 total cpu time spent up to now is 8.1 secs Computing kpt #: 13 total cpu time spent up to now is 8.5 secs Computing kpt #: 14 total cpu time spent up to now is 8.9 secs Computing kpt #: 15 total cpu time spent up to now is 9.3 secs Computing kpt #: 16 total cpu time spent up to now is 9.7 secs Computing kpt #: 17 total cpu time spent up to now is 10.1 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 11.3 secs Computing kpt #: 21 total cpu time spent up to now is 11.7 secs Computing kpt #: 22 total cpu time spent up to now is 12.1 secs Computing kpt #: 23 total cpu time spent up to now is 12.5 secs Computing kpt #: 24 total cpu time spent up to now is 12.9 secs Computing kpt #: 25 total cpu time spent up to now is 13.3 secs Computing kpt #: 26 total cpu time spent up to now is 13.7 secs Computing kpt #: 27 total cpu time spent up to now is 14.1 secs Computing kpt #: 28 total cpu time spent up to now is 14.5 secs Computing kpt #: 29 total cpu time spent up to now is 14.9 secs Computing kpt #: 30 total cpu time spent up to now is 15.2 secs Computing kpt #: 31 total cpu time spent up to now is 15.6 secs Computing kpt #: 32 total cpu time spent up to now is 16.0 secs Computing kpt #: 33 total cpu time spent up to now is 16.3 secs Computing kpt #: 34 total cpu time spent up to now is 16.7 secs Computing kpt #: 35 total cpu time spent up to now is 17.1 secs Computing kpt #: 36 total cpu time spent up to now is 17.4 secs Computing kpt #: 37 total cpu time spent up to now is 17.8 secs Computing kpt #: 38 total cpu time spent up to now is 18.1 secs Computing kpt #: 39 total cpu time spent up to now is 18.4 secs Computing kpt #: 40 total cpu time spent up to now is 18.8 secs Computing kpt #: 41 total cpu time spent up to now is 19.1 secs Computing kpt #: 42 total cpu time spent up to now is 19.5 secs Computing kpt #: 43 total cpu time spent up to now is 19.8 secs Computing kpt #: 44 total cpu time spent up to now is 20.1 secs Computing kpt #: 45 total cpu time spent up to now is 20.5 secs Computing kpt #: 46 total cpu time spent up to now is 20.8 secs Computing kpt #: 47 total cpu time spent up to now is 21.2 secs Computing kpt #: 48 total cpu time spent up to now is 21.5 secs Computing kpt #: 49 total cpu time spent up to now is 21.8 secs Computing kpt #: 50 total cpu time spent up to now is 22.2 secs Computing kpt #: 51 total cpu time spent up to now is 22.5 secs Computing kpt #: 52 total cpu time spent up to now is 22.8 secs Computing kpt #: 53 total cpu time spent up to now is 23.1 secs Computing kpt #: 54 total cpu time spent up to now is 23.5 secs Computing kpt #: 55 total cpu time spent up to now is 23.8 secs Computing kpt #: 56 total cpu time spent up to now is 24.1 secs Computing kpt #: 57 total cpu time spent up to now is 24.5 secs Computing kpt #: 58 total cpu time spent up to now is 24.8 secs Computing kpt #: 59 total cpu time spent up to now is 25.2 secs Computing kpt #: 60 total cpu time spent up to now is 25.5 secs Computing kpt #: 61 total cpu time spent up to now is 25.9 secs Computing kpt #: 62 total cpu time spent up to now is 26.2 secs Computing kpt #: 63 total cpu time spent up to now is 26.6 secs Computing kpt #: 64 total cpu time spent up to now is 26.9 secs Computing kpt #: 65 total cpu time spent up to now is 27.3 secs Computing kpt #: 66 total cpu time spent up to now is 27.7 secs Computing kpt #: 67 total cpu time spent up to now is 28.0 secs Computing kpt #: 68 total cpu time spent up to now is 28.4 secs Computing kpt #: 69 total cpu time spent up to now is 28.8 secs Computing kpt #: 70 total cpu time spent up to now is 29.1 secs Computing kpt #: 71 total cpu time spent up to now is 29.5 secs Computing kpt #: 72 total cpu time spent up to now is 29.9 secs Computing kpt #: 73 total cpu time spent up to now is 30.3 secs Computing kpt #: 74 total cpu time spent up to now is 30.7 secs Computing kpt #: 75 total cpu time spent up to now is 31.1 secs Computing kpt #: 76 total cpu time spent up to now is 31.4 secs Computing kpt #: 77 total cpu time spent up to now is 31.9 secs Computing kpt #: 78 total cpu time spent up to now is 32.3 secs Computing kpt #: 79 total cpu time spent up to now is 32.7 secs Computing kpt #: 80 total cpu time spent up to now is 33.1 secs Computing kpt #: 81 total cpu time spent up to now is 33.5 secs Computing kpt #: 82 total cpu time spent up to now is 33.9 secs Computing kpt #: 83 total cpu time spent up to now is 34.4 secs Computing kpt #: 84 total cpu time spent up to now is 34.8 secs Computing kpt #: 85 total cpu time spent up to now is 35.2 secs Computing kpt #: 86 total cpu time spent up to now is 35.7 secs Computing kpt #: 87 total cpu time spent up to now is 36.1 secs Computing kpt #: 88 total cpu time spent up to now is 36.5 secs Computing kpt #: 89 total cpu time spent up to now is 36.9 secs Computing kpt #: 90 total cpu time spent up to now is 37.3 secs Computing kpt #: 91 total cpu time spent up to now is 37.7 secs Computing kpt #: 92 total cpu time spent up to now is 38.1 secs Computing kpt #: 93 total cpu time spent up to now is 38.5 secs Computing kpt #: 94 total cpu time spent up to now is 38.9 secs Computing kpt #: 95 total cpu time spent up to now is 39.3 secs Computing kpt #: 96 total cpu time spent up to now is 39.7 secs Computing kpt #: 97 total cpu time spent up to now is 40.1 secs Computing kpt #: 98 total cpu time spent up to now is 40.4 secs Computing kpt #: 99 total cpu time spent up to now is 40.8 secs Computing kpt #: 100 total cpu time spent up to now is 41.2 secs Computing kpt #: 101 total cpu time spent up to now is 41.6 secs Computing kpt #: 102 total cpu time spent up to now is 42.0 secs Computing kpt #: 103 total cpu time spent up to now is 42.4 secs Computing kpt #: 104 total cpu time spent up to now is 42.8 secs Computing kpt #: 105 total cpu time spent up to now is 43.2 secs Computing kpt #: 106 total cpu time spent up to now is 43.6 secs Computing kpt #: 107 total cpu time spent up to now is 44.1 secs Computing kpt #: 108 total cpu time spent up to now is 44.6 secs Computing kpt #: 109 total cpu time spent up to now is 45.0 secs Computing kpt #: 110 total cpu time spent up to now is 45.4 secs Computing kpt #: 111 total cpu time spent up to now is 45.8 secs Computing kpt #: 112 total cpu time spent up to now is 46.2 secs Computing kpt #: 113 total cpu time spent up to now is 46.7 secs Computing kpt #: 114 total cpu time spent up to now is 47.1 secs Computing kpt #: 115 total cpu time spent up to now is 47.5 secs Computing kpt #: 116 total cpu time spent up to now is 47.9 secs Computing kpt #: 117 total cpu time spent up to now is 48.2 secs Computing kpt #: 118 total cpu time spent up to now is 48.6 secs Computing kpt #: 119 total cpu time spent up to now is 49.0 secs Computing kpt #: 120 total cpu time spent up to now is 49.4 secs Computing kpt #: 121 total cpu time spent up to now is 49.8 secs Computing kpt #: 122 total cpu time spent up to now is 50.2 secs Computing kpt #: 123 total cpu time spent up to now is 50.7 secs Computing kpt #: 124 total cpu time spent up to now is 51.0 secs Computing kpt #: 125 total cpu time spent up to now is 51.4 secs Computing kpt #: 126 total cpu time spent up to now is 51.8 secs Computing kpt #: 127 total cpu time spent up to now is 52.2 secs Computing kpt #: 128 total cpu time spent up to now is 52.6 secs Computing kpt #: 129 total cpu time spent up to now is 53.0 secs Computing kpt #: 130 total cpu time spent up to now is 53.4 secs Computing kpt #: 131 total cpu time spent up to now is 53.8 secs Computing kpt #: 132 total cpu time spent up to now is 54.2 secs Computing kpt #: 133 total cpu time spent up to now is 54.6 secs Computing kpt #: 134 total cpu time spent up to now is 55.0 secs Computing kpt #: 135 total cpu time spent up to now is 55.4 secs Computing kpt #: 136 total cpu time spent up to now is 55.8 secs Computing kpt #: 137 total cpu time spent up to now is 56.3 secs Computing kpt #: 138 total cpu time spent up to now is 56.7 secs Computing kpt #: 139 total cpu time spent up to now is 57.1 secs Computing kpt #: 140 total cpu time spent up to now is 57.5 secs Computing kpt #: 141 total cpu time spent up to now is 57.9 secs Computing kpt #: 142 total cpu time spent up to now is 58.3 secs Computing kpt #: 143 total cpu time spent up to now is 58.7 secs Computing kpt #: 144 total cpu time spent up to now is 59.2 secs Computing kpt #: 145 total cpu time spent up to now is 59.6 secs Computing kpt #: 146 total cpu time spent up to now is 60.0 secs Computing kpt #: 147 total cpu time spent up to now is 60.4 secs Computing kpt #: 148 total cpu time spent up to now is 60.8 secs Computing kpt #: 149 total cpu time spent up to now is 61.2 secs Computing kpt #: 150 total cpu time spent up to now is 61.6 secs Computing kpt #: 151 total cpu time spent up to now is 62.0 secs Computing kpt #: 152 total cpu time spent up to now is 62.4 secs Computing kpt #: 153 total cpu time spent up to now is 62.8 secs Computing kpt #: 154 total cpu time spent up to now is 63.2 secs Computing kpt #: 155 total cpu time spent up to now is 63.6 secs Computing kpt #: 156 total cpu time spent up to now is 64.0 secs Computing kpt #: 157 total cpu time spent up to now is 64.3 secs Computing kpt #: 158 total cpu time spent up to now is 64.7 secs Computing kpt #: 159 total cpu time spent up to now is 65.1 secs Computing kpt #: 160 total cpu time spent up to now is 65.5 secs Computing kpt #: 161 total cpu time spent up to now is 66.0 secs Computing kpt #: 162 total cpu time spent up to now is 66.4 secs Computing kpt #: 163 total cpu time spent up to now is 66.8 secs Computing kpt #: 164 total cpu time spent up to now is 67.2 secs Computing kpt #: 165 total cpu time spent up to now is 67.6 secs Computing kpt #: 166 total cpu time spent up to now is 68.0 secs Computing kpt #: 167 total cpu time spent up to now is 68.4 secs Computing kpt #: 168 total cpu time spent up to now is 68.8 secs Computing kpt #: 169 total cpu time spent up to now is 69.2 secs Computing kpt #: 170 total cpu time spent up to now is 69.6 secs Computing kpt #: 171 total cpu time spent up to now is 70.1 secs Computing kpt #: 172 total cpu time spent up to now is 70.5 secs Computing kpt #: 173 total cpu time spent up to now is 70.9 secs Computing kpt #: 174 total cpu time spent up to now is 71.4 secs Computing kpt #: 175 total cpu time spent up to now is 71.8 secs Computing kpt #: 176 total cpu time spent up to now is 72.3 secs Computing kpt #: 177 total cpu time spent up to now is 72.7 secs Computing kpt #: 178 total cpu time spent up to now is 73.2 secs Computing kpt #: 179 total cpu time spent up to now is 73.6 secs Computing kpt #: 180 total cpu time spent up to now is 74.0 secs Computing kpt #: 181 total cpu time spent up to now is 74.5 secs Computing kpt #: 182 total cpu time spent up to now is 74.9 secs Computing kpt #: 183 total cpu time spent up to now is 75.4 secs Computing kpt #: 184 total cpu time spent up to now is 75.8 secs Computing kpt #: 185 total cpu time spent up to now is 76.2 secs Computing kpt #: 186 total cpu time spent up to now is 76.7 secs Computing kpt #: 187 total cpu time spent up to now is 77.1 secs Computing kpt #: 188 total cpu time spent up to now is 77.5 secs Computing kpt #: 189 total cpu time spent up to now is 77.9 secs Computing kpt #: 190 total cpu time spent up to now is 78.4 secs Computing kpt #: 191 total cpu time spent up to now is 78.8 secs Computing kpt #: 192 total cpu time spent up to now is 79.3 secs Computing kpt #: 193 total cpu time spent up to now is 79.7 secs Computing kpt #: 194 total cpu time spent up to now is 80.1 secs Computing kpt #: 195 total cpu time spent up to now is 80.6 secs Computing kpt #: 196 total cpu time spent up to now is 81.0 secs Computing kpt #: 197 total cpu time spent up to now is 81.4 secs Computing kpt #: 198 total cpu time spent up to now is 81.8 secs Computing kpt #: 199 total cpu time spent up to now is 82.3 secs Computing kpt #: 200 total cpu time spent up to now is 82.7 secs Computing kpt #: 201 total cpu time spent up to now is 83.1 secs Computing kpt #: 202 total cpu time spent up to now is 83.5 secs Computing kpt #: 203 total cpu time spent up to now is 84.0 secs Computing kpt #: 204 total cpu time spent up to now is 84.4 secs Computing kpt #: 205 total cpu time spent up to now is 84.8 secs Computing kpt #: 206 total cpu time spent up to now is 85.3 secs Computing kpt #: 207 total cpu time spent up to now is 85.7 secs Computing kpt #: 208 total cpu time spent up to now is 86.1 secs Computing kpt #: 209 total cpu time spent up to now is 86.5 secs Computing kpt #: 210 total cpu time spent up to now is 86.9 secs Computing kpt #: 211 total cpu time spent up to now is 87.3 secs Computing kpt #: 212 total cpu time spent up to now is 87.7 secs Computing kpt #: 213 total cpu time spent up to now is 88.1 secs Computing kpt #: 214 total cpu time spent up to now is 88.5 secs Computing kpt #: 215 total cpu time spent up to now is 88.9 secs Computing kpt #: 216 total cpu time spent up to now is 89.3 secs Computing kpt #: 217 total cpu time spent up to now is 89.6 secs Computing kpt #: 218 total cpu time spent up to now is 90.0 secs Computing kpt #: 219 total cpu time spent up to now is 90.4 secs Computing kpt #: 220 total cpu time spent up to now is 90.8 secs Computing kpt #: 221 total cpu time spent up to now is 91.2 secs Computing kpt #: 222 total cpu time spent up to now is 91.6 secs Computing kpt #: 223 total cpu time spent up to now is 92.0 secs Computing kpt #: 224 total cpu time spent up to now is 92.4 secs Computing kpt #: 225 total cpu time spent up to now is 92.8 secs Computing kpt #: 226 total cpu time spent up to now is 93.2 secs Computing kpt #: 227 total cpu time spent up to now is 93.6 secs Computing kpt #: 228 total cpu time spent up to now is 94.1 secs Computing kpt #: 229 total cpu time spent up to now is 94.5 secs Computing kpt #: 230 total cpu time spent up to now is 94.9 secs Computing kpt #: 231 total cpu time spent up to now is 95.3 secs Computing kpt #: 232 total cpu time spent up to now is 95.7 secs Computing kpt #: 233 total cpu time spent up to now is 96.1 secs Computing kpt #: 234 total cpu time spent up to now is 96.5 secs Computing kpt #: 235 total cpu time spent up to now is 96.9 secs Computing kpt #: 236 total cpu time spent up to now is 97.3 secs Computing kpt #: 237 total cpu time spent up to now is 97.7 secs Computing kpt #: 238 total cpu time spent up to now is 98.1 secs Computing kpt #: 239 total cpu time spent up to now is 98.4 secs Computing kpt #: 240 total cpu time spent up to now is 98.8 secs Computing kpt #: 241 total cpu time spent up to now is 99.2 secs Computing kpt #: 242 total cpu time spent up to now is 99.6 secs Computing kpt #: 243 total cpu time spent up to now is 100.0 secs Computing kpt #: 244 total cpu time spent up to now is 100.4 secs Computing kpt #: 245 total cpu time spent up to now is 100.8 secs Computing kpt #: 246 total cpu time spent up to now is 101.2 secs Computing kpt #: 247 total cpu time spent up to now is 101.6 secs Computing kpt #: 248 total cpu time spent up to now is 102.1 secs Computing kpt #: 249 total cpu time spent up to now is 102.5 secs Computing kpt #: 250 total cpu time spent up to now is 102.9 secs Computing kpt #: 251 total cpu time spent up to now is 103.4 secs Computing kpt #: 252 total cpu time spent up to now is 103.8 secs Computing kpt #: 253 total cpu time spent up to now is 104.2 secs Computing kpt #: 254 total cpu time spent up to now is 104.6 secs Computing kpt #: 255 total cpu time spent up to now is 105.0 secs Computing kpt #: 256 total cpu time spent up to now is 105.5 secs Computing kpt #: 257 total cpu time spent up to now is 105.9 secs Computing kpt #: 258 total cpu time spent up to now is 106.3 secs Computing kpt #: 259 total cpu time spent up to now is 106.7 secs Computing kpt #: 260 total cpu time spent up to now is 107.1 secs Computing kpt #: 261 total cpu time spent up to now is 107.5 secs Computing kpt #: 262 total cpu time spent up to now is 107.9 secs Computing kpt #: 263 total cpu time spent up to now is 108.3 secs Computing kpt #: 264 total cpu time spent up to now is 108.7 secs Computing kpt #: 265 total cpu time spent up to now is 109.1 secs Computing kpt #: 266 total cpu time spent up to now is 109.5 secs Computing kpt #: 267 total cpu time spent up to now is 109.9 secs Computing kpt #: 268 total cpu time spent up to now is 110.3 secs Computing kpt #: 269 total cpu time spent up to now is 110.7 secs Computing kpt #: 270 total cpu time spent up to now is 111.1 secs Computing kpt #: 271 total cpu time spent up to now is 111.5 secs Computing kpt #: 272 total cpu time spent up to now is 111.9 secs Computing kpt #: 273 total cpu time spent up to now is 112.2 secs Computing kpt #: 274 total cpu time spent up to now is 112.6 secs Computing kpt #: 275 total cpu time spent up to now is 113.0 secs Computing kpt #: 276 total cpu time spent up to now is 113.4 secs Computing kpt #: 277 total cpu time spent up to now is 113.8 secs Computing kpt #: 278 total cpu time spent up to now is 114.2 secs Computing kpt #: 279 total cpu time spent up to now is 114.5 secs Computing kpt #: 280 total cpu time spent up to now is 114.9 secs Computing kpt #: 281 total cpu time spent up to now is 115.3 secs Computing kpt #: 282 total cpu time spent up to now is 115.7 secs Computing kpt #: 283 total cpu time spent up to now is 116.1 secs Computing kpt #: 284 total cpu time spent up to now is 116.5 secs Computing kpt #: 285 total cpu time spent up to now is 116.9 secs Computing kpt #: 286 total cpu time spent up to now is 117.3 secs Computing kpt #: 287 total cpu time spent up to now is 117.7 secs Computing kpt #: 288 total cpu time spent up to now is 118.1 secs Computing kpt #: 289 total cpu time spent up to now is 118.5 secs Computing kpt #: 290 total cpu time spent up to now is 118.9 secs Computing kpt #: 291 total cpu time spent up to now is 119.3 secs Computing kpt #: 292 total cpu time spent up to now is 119.8 secs Computing kpt #: 293 total cpu time spent up to now is 120.2 secs Computing kpt #: 294 total cpu time spent up to now is 120.6 secs Computing kpt #: 295 total cpu time spent up to now is 121.1 secs Computing kpt #: 296 total cpu time spent up to now is 121.5 secs Computing kpt #: 297 total cpu time spent up to now is 121.9 secs Computing kpt #: 298 total cpu time spent up to now is 122.4 secs Computing kpt #: 299 total cpu time spent up to now is 122.8 secs Computing kpt #: 300 total cpu time spent up to now is 123.2 secs Computing kpt #: 301 total cpu time spent up to now is 123.6 secs Computing kpt #: 302 total cpu time spent up to now is 124.0 secs Computing kpt #: 303 total cpu time spent up to now is 124.4 secs Computing kpt #: 304 total cpu time spent up to now is 124.8 secs Computing kpt #: 305 total cpu time spent up to now is 125.2 secs Computing kpt #: 306 total cpu time spent up to now is 125.6 secs Computing kpt #: 307 total cpu time spent up to now is 126.0 secs Computing kpt #: 308 total cpu time spent up to now is 126.4 secs Computing kpt #: 309 total cpu time spent up to now is 126.8 secs Computing kpt #: 310 total cpu time spent up to now is 127.1 secs Computing kpt #: 311 total cpu time spent up to now is 127.5 secs Computing kpt #: 312 total cpu time spent up to now is 127.9 secs Computing kpt #: 313 total cpu time spent up to now is 128.3 secs Computing kpt #: 314 total cpu time spent up to now is 128.7 secs Computing kpt #: 315 total cpu time spent up to now is 129.1 secs Computing kpt #: 316 total cpu time spent up to now is 129.6 secs Computing kpt #: 317 total cpu time spent up to now is 130.0 secs Computing kpt #: 318 total cpu time spent up to now is 130.4 secs Computing kpt #: 319 total cpu time spent up to now is 130.9 secs Computing kpt #: 320 total cpu time spent up to now is 131.3 secs Computing kpt #: 321 total cpu time spent up to now is 131.7 secs Computing kpt #: 322 total cpu time spent up to now is 132.1 secs Computing kpt #: 323 total cpu time spent up to now is 132.5 secs Computing kpt #: 324 total cpu time spent up to now is 132.9 secs Computing kpt #: 325 total cpu time spent up to now is 133.3 secs Computing kpt #: 326 total cpu time spent up to now is 133.7 secs Computing kpt #: 327 total cpu time spent up to now is 134.1 secs Computing kpt #: 328 total cpu time spent up to now is 134.5 secs Computing kpt #: 329 total cpu time spent up to now is 134.8 secs Computing kpt #: 330 total cpu time spent up to now is 135.2 secs Computing kpt #: 331 total cpu time spent up to now is 135.6 secs Computing kpt #: 332 total cpu time spent up to now is 135.9 secs Computing kpt #: 333 total cpu time spent up to now is 136.3 secs Computing kpt #: 334 total cpu time spent up to now is 136.7 secs Computing kpt #: 335 total cpu time spent up to now is 137.0 secs Computing kpt #: 336 total cpu time spent up to now is 137.4 secs Computing kpt #: 337 total cpu time spent up to now is 137.8 secs Computing kpt #: 338 total cpu time spent up to now is 138.1 secs Computing kpt #: 339 total cpu time spent up to now is 138.4 secs Computing kpt #: 340 total cpu time spent up to now is 138.8 secs Computing kpt #: 341 total cpu time spent up to now is 139.1 secs Computing kpt #: 342 total cpu time spent up to now is 139.5 secs Computing kpt #: 343 total cpu time spent up to now is 139.8 secs Computing kpt #: 344 total cpu time spent up to now is 140.1 secs Computing kpt #: 345 total cpu time spent up to now is 140.5 secs Computing kpt #: 346 total cpu time spent up to now is 140.8 secs ethr = 2.38E-08, avg # of iterations = 15.0 total cpu time spent up to now is 140.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4645 PWs) bands (ev): -64.2231 -64.2231 -34.0288 -34.0288 -32.8304 -32.8304 -32.8304 -32.8304 0.9735 0.9735 8.6294 8.6294 8.7266 8.7266 8.7266 8.7266 9.3762 9.3762 9.3762 9.3762 10.4223 10.4223 10.4223 10.4223 10.5743 10.5743 10.9239 10.9239 10.9239 10.9239 12.2090 12.2090 12.2090 12.2090 12.2100 12.2100 13.6634 13.6634 13.6634 13.6634 14.2615 14.2615 14.2948 14.2948 14.8050 14.8050 14.8050 14.8050 17.7232 17.7232 k = 0.0096-0.0056 0.0079 ( 4645 PWs) bands (ev): -64.2231 -64.2231 -34.0288 -34.0288 -32.8304 -32.8304 -32.8304 -32.8304 0.9748 0.9748 8.6286 8.6286 8.7250 8.7250 8.7269 8.7269 9.3765 9.3765 9.3769 9.3769 10.4221 10.4221 10.4222 10.4222 10.5741 10.5741 10.9219 10.9219 10.9238 10.9238 12.2060 12.2060 12.2069 12.2069 12.2093 12.2093 13.6583 13.6583 13.6631 13.6631 14.2112 14.2112 14.3335 14.3335 14.8068 14.8068 14.8282 14.8282 17.7115 17.7115 k = 0.0192-0.0111 0.0157 ( 4641 PWs) bands (ev): -64.2227 -64.2227 -34.0288 -34.0288 -32.8304 -32.8304 -32.8304 -32.8304 0.9788 0.9788 8.6261 8.6261 8.7205 8.7205 8.7281 8.7281 9.3774 9.3774 9.3793 9.3793 10.4215 10.4215 10.4220 10.4220 10.5737 10.5737 10.9158 10.9158 10.9237 10.9237 12.1981 12.1981 12.2002 12.2002 12.2089 12.2089 13.6444 13.6444 13.6625 13.6625 14.1431 14.1431 14.3732 14.3732 14.8122 14.8122 14.8925 14.8925 17.6799 17.6799 k = 0.0288-0.0167 0.0236 ( 4641 PWs) bands (ev): -64.2227 -64.2227 -34.0288 -34.0288 -32.8304 -32.8304 -32.8304 -32.8304 0.9853 0.9853 8.6211 8.6211 8.7141 8.7141 8.7299 8.7299 9.3790 9.3790 9.3830 9.3830 10.4204 10.4204 10.4215 10.4215 10.5729 10.5729 10.9058 10.9058 10.9236 10.9236 12.1833 12.1833 12.1873 12.1873 12.2079 12.2079 13.6158 13.6158 13.6614 13.6614 14.0782 14.0782 14.4053 14.4053 14.8208 14.8208 14.9866 14.9866 17.6356 17.6356 k = 0.0385-0.0222 0.0314 ( 4629 PWs) bands (ev): -64.2214 -64.2214 -34.0288 -34.0288 -32.8303 -32.8303 -32.8303 -32.8303 0.9945 0.9945 8.6123 8.6123 8.7071 8.7071 8.7326 8.7326 9.3814 9.3814 9.3881 9.3881 10.4190 10.4190 10.4210 10.4210 10.5719 10.5719 10.8919 10.8919 10.9234 10.9234 12.1655 12.1655 12.1719 12.1719 12.2089 12.2089 13.5740 13.5740 13.6627 13.6627 14.0241 14.0241 14.4344 14.4344 14.8325 14.8325 15.1005 15.1005 17.5858 17.5858 k = 0.0481-0.0278 0.0393 ( 4621 PWs) bands (ev): -64.2205 -64.2205 -34.0288 -34.0288 -32.8303 -32.8303 -32.8303 -32.8303 1.0063 1.0063 8.5981 8.5981 8.7013 8.7013 8.7360 8.7360 9.3842 9.3842 9.3942 9.3942 10.4172 10.4172 10.4202 10.4202 10.5705 10.5705 10.8744 10.8744 10.9231 10.9231 12.1427 12.1427 12.1519 12.1519 12.2080 12.2080 13.5157 13.5157 13.6618 13.6618 13.9838 13.9838 14.4630 14.4630 14.8467 14.8467 15.2269 15.2269 17.5333 17.5333 k = 0.0577-0.0333 0.0471 ( 4625 PWs) bands (ev): -64.2209 -64.2209 -34.0288 -34.0288 -32.8303 -32.8303 -32.8303 -32.8303 1.0207 1.0207 8.5778 8.5778 8.6977 8.6977 8.7401 8.7401 9.3876 9.3876 9.4012 9.4012 10.4149 10.4149 10.4190 10.4190 10.5686 10.5686 10.8534 10.8534 10.9227 10.9227 12.1126 12.1126 12.1251 12.1251 12.2060 12.2060 13.4421 13.4421 13.6593 13.6593 13.9543 13.9543 14.4920 14.4920 14.8622 14.8622 15.3616 15.3616 17.4805 17.4805 k = 0.0673-0.0389 0.0550 ( 4629 PWs) bands (ev): -64.2213 -64.2213 -34.0288 -34.0288 -32.8304 -32.8304 -32.8303 -32.8303 1.0377 1.0377 8.5513 8.5513 8.6967 8.6967 8.7449 8.7449 9.3916 9.3916 9.4091 9.4091 10.4120 10.4120 10.4174 10.4174 10.5662 10.5662 10.8292 10.8292 10.9223 10.9223 12.0777 12.0777 12.0936 12.0936 12.2031 12.2031 13.3631 13.3631 13.6564 13.6564 13.9365 13.9365 14.5214 14.5214 14.8783 14.8783 15.5019 15.5019 17.4286 17.4286 k = 0.0769-0.0444 0.0628 ( 4617 PWs) bands (ev): -64.2200 -64.2200 -34.0288 -34.0288 -32.8303 -32.8303 -32.8303 -32.8303 1.0572 1.0572 8.5193 8.5193 8.6978 8.6978 8.7506 8.7506 9.3963 9.3963 9.4179 9.4179 10.4089 10.4089 10.4156 10.4156 10.5634 10.5634 10.8022 10.8022 10.9218 10.9218 12.0419 12.0419 12.0614 12.0614 12.2025 12.2025 13.2817 13.2817 13.6548 13.6548 13.9296 13.9296 14.5516 14.5516 14.8950 14.8950 15.6462 15.6462 17.3807 17.3807 k = 0.0865-0.0500 0.0707 ( 4617 PWs) bands (ev): -64.2200 -64.2200 -34.0288 -34.0288 -32.8304 -32.8304 -32.8303 -32.8303 1.0792 1.0792 8.4824 8.4824 8.7007 8.7007 8.7569 8.7569 9.4014 9.4014 9.4270 9.4270 10.4052 10.4052 10.4132 10.4132 10.5598 10.5598 10.7729 10.7729 10.9213 10.9213 12.0017 12.0017 12.0246 12.0246 12.1996 12.1996 13.1953 13.1953 13.6511 13.6511 13.9250 13.9250 14.5811 14.5811 14.9103 14.9103 15.7916 15.7916 17.3338 17.3338 k = 0.0962-0.0555 0.0785 ( 4605 PWs) bands (ev): -64.2187 -64.2187 -34.0288 -34.0288 -32.8303 -32.8303 -32.8303 -32.8303 1.1038 1.1038 8.4414 8.4414 8.7050 8.7050 8.7640 8.7640 9.4071 9.4071 9.4366 9.4366 10.4013 10.4013 10.4102 10.4102 10.5555 10.5555 10.7418 10.7418 10.9207 10.9207 11.9609 11.9609 11.9872 11.9872 12.1982 12.1982 13.1099 13.1099 13.6474 13.6474 13.9276 13.9276 14.6102 14.6102 14.9247 14.9247 15.9369 15.9369 17.2912 17.2912 k = 0.1058-0.0611 0.0864 ( 4625 PWs) bands (ev): -64.2207 -64.2207 -34.0288 -34.0288 -32.8304 -32.8304 -32.8304 -32.8304 1.1308 1.1308 8.3965 8.3965 8.7103 8.7103 8.7718 8.7718 9.4133 9.4133 9.4460 9.4460 10.3966 10.3966 10.4058 10.4058 10.5491 10.5491 10.7100 10.7100 10.9201 10.9201 11.9129 11.9129 11.9424 11.9424 12.1924 12.1924 13.0213 13.0213 13.6418 13.6418 13.9230 13.9230 14.6344 14.6344 14.9336 14.9336 16.0776 16.0776 17.2473 17.2473 k = 0.1154-0.0666 0.0942 ( 4633 PWs) bands (ev): -64.2215 -64.2215 -34.0288 -34.0288 -32.8305 -32.8305 -32.8304 -32.8304 1.1603 1.1603 8.3484 8.3484 8.7166 8.7166 8.7804 8.7804 9.4201 9.4201 9.4555 9.4555 10.3917 10.3917 10.4004 10.4004 10.5408 10.5408 10.6789 10.6789 10.9194 10.9194 11.8661 11.8661 11.8986 11.8986 12.1887 12.1887 12.9344 12.9344 13.6368 13.6368 13.9201 13.9201 14.6568 14.6568 14.9402 14.9402 16.2116 16.2116 17.2082 17.2082 k = 0.1250-0.0722 0.1021 ( 4633 PWs) bands (ev): -64.2216 -64.2216 -34.0289 -34.0289 -32.8305 -32.8305 -32.8304 -32.8304 1.1921 1.1921 8.2974 8.2974 8.7238 8.7238 8.7896 8.7896 9.4274 9.4274 9.4653 9.4653 10.3865 10.3865 10.3933 10.3933 10.5293 10.5293 10.6505 10.6505 10.9187 10.9187 11.8187 11.8187 11.8538 11.8538 12.1858 12.1858 12.8509 12.8509 13.6313 13.6313 13.9237 13.9237 14.6756 14.6756 14.9429 14.9429 16.3350 16.3350 17.1730 17.1730 k = 0.1346-0.0777 0.1099 ( 4641 PWs) bands (ev): -64.2224 -64.2224 -34.0289 -34.0289 -32.8306 -32.8306 -32.8304 -32.8304 1.2264 1.2264 8.2437 8.2437 8.7318 8.7318 8.7996 8.7996 9.4351 9.4351 9.4750 9.4750 10.3807 10.3807 10.3830 10.3830 10.5132 10.5132 10.6270 10.6270 10.9179 10.9179 11.7688 11.7688 11.8063 11.8063 12.1814 12.1814 12.7689 12.7689 13.6254 13.6254 13.9271 13.9271 14.6885 14.6885 14.9393 14.9393 16.4401 16.4401 17.1388 17.1388 k = 0.1442-0.0833 0.1178 ( 4637 PWs) bands (ev): -64.2220 -64.2220 -34.0289 -34.0289 -32.8306 -32.8306 -32.8304 -32.8304 1.2629 1.2629 8.1879 8.1879 8.7405 8.7405 8.8103 8.8103 9.4433 9.4433 9.4850 9.4850 10.3682 10.3682 10.3747 10.3747 10.4935 10.4935 10.6097 10.6097 10.9171 10.9171 11.7201 11.7201 11.7597 11.7597 12.1772 12.1772 12.6901 12.6901 13.6194 13.6194 13.9388 13.9388 14.6978 14.6978 14.9323 14.9323 16.5199 16.5199 17.1073 17.1073 k = 0.1538-0.0888 0.1256 ( 4625 PWs) bands (ev): -64.2208 -64.2208 -34.0289 -34.0289 -32.8306 -32.8306 -32.8304 -32.8304 1.3018 1.3018 8.1300 8.1300 8.7498 8.7498 8.8217 8.8217 9.4520 9.4520 9.4945 9.4945 10.3472 10.3472 10.3684 10.3684 10.4732 10.4732 10.5977 10.5977 10.9163 10.9163 11.6729 11.6729 11.7143 11.7143 12.1740 12.1740 12.6125 12.6125 13.6176 13.6176 13.9473 13.9473 14.7042 14.7042 14.9225 14.9225 16.5635 16.5635 17.0798 17.0798 k = 0.1635-0.0944 0.1335 ( 4621 PWs) bands (ev): -64.2203 -64.2203 -34.0289 -34.0289 -32.8306 -32.8306 -32.8304 -32.8304 1.3428 1.3428 8.0703 8.0703 8.7598 8.7598 8.8339 8.8339 9.4611 9.4611 9.5037 9.5037 10.3182 10.3182 10.3615 10.3615 10.4549 10.4549 10.5896 10.5896 10.9154 10.9154 11.6243 11.6243 11.6672 11.6672 12.1695 12.1695 12.5368 12.5368 13.6112 13.6112 13.9586 13.9586 14.7036 14.7036 14.9062 14.9062 16.5659 16.5659 17.0528 17.0528 k = 0.1731-0.0999 0.1413 ( 4621 PWs) bands (ev): -64.2204 -64.2204 -34.0289 -34.0289 -32.8306 -32.8306 -32.8304 -32.8304 1.3860 1.3860 8.0092 8.0092 8.7705 8.7705 8.8466 8.8466 9.4704 9.4704 9.5126 9.5126 10.2819 10.2819 10.3543 10.3543 10.4400 10.4400 10.5840 10.5840 10.9144 10.9144 11.5747 11.5747 11.6189 11.6189 12.1641 12.1641 12.4635 12.4635 13.6018 13.6018 13.9748 13.9748 14.6957 14.6957 14.8831 14.8831 16.5288 16.5288 17.0265 17.0265 k = 0.1827-0.1055 0.1492 ( 4621 PWs) bands (ev): -64.2204 -64.2204 -34.0289 -34.0289 -32.8306 -32.8306 -32.8304 -32.8304 1.4313 1.4313 7.9467 7.9467 8.7817 8.7817 8.8601 8.8601 9.4801 9.4801 9.5207 9.5207 10.2403 10.2403 10.3467 10.3467 10.4279 10.4279 10.5799 10.5799 10.9135 10.9135 11.5260 11.5260 11.5712 11.5712 12.1594 12.1594 12.3910 12.3910 13.5945 13.5945 13.9855 13.9855 14.6833 14.6833 14.8563 14.8563 16.4575 16.4575 17.0033 17.0033 k = 0.1923-0.1110 0.1570 ( 4605 PWs) bands (ev): -64.2187 -64.2187 -34.0289 -34.0289 -32.8306 -32.8306 -32.8304 -32.8304 1.4787 1.4787 7.8831 7.8831 8.7934 8.7934 8.8743 8.8743 9.4903 9.4903 9.5282 9.5282 10.1950 10.1950 10.3389 10.3389 10.4176 10.4176 10.5768 10.5768 10.9125 10.9125 11.4802 11.4802 11.5263 11.5263 12.1552 12.1552 12.3206 12.3206 13.5885 13.5885 14.0006 14.0006 14.6715 14.6715 14.8309 14.8309 16.3633 16.3633 16.9828 16.9828 k = 0.2019-0.1166 0.1649 ( 4604 PWs) bands (ev): -64.2186 -64.2186 -34.0289 -34.0289 -32.8306 -32.8306 -32.8304 -32.8304 1.5279 1.5279 7.8188 7.8188 8.8057 8.8057 8.8890 8.8890 9.5006 9.5006 9.5348 9.5348 10.1473 10.1473 10.3306 10.3306 10.4081 10.4081 10.5746 10.5746 10.9114 10.9114 11.4324 11.4324 11.4792 11.4792 12.1504 12.1504 12.2516 12.2516 13.5807 13.5807 14.0135 14.0135 14.6496 14.6496 14.7964 14.7964 16.2538 16.2538 16.9631 16.9631 k = 0.2115-0.1221 0.1727 ( 4608 PWs) bands (ev): -64.2190 -64.2190 -34.0289 -34.0289 -32.8306 -32.8306 -32.8305 -32.8305 1.5789 1.5789 7.7537 7.7537 8.8185 8.8185 8.9045 8.9045 9.5111 9.5111 9.5404 9.5404 10.0982 10.0982 10.3221 10.3221 10.3990 10.3990 10.5729 10.5729 10.9103 10.9103 11.3853 11.3853 11.4324 11.4324 12.1456 12.1456 12.1838 12.1838 13.5688 13.5688 14.0247 14.0247 14.6233 14.6233 14.7583 14.7583 16.1349 16.1349 16.9449 16.9449 k = 0.2212-0.1277 0.1806 ( 4600 PWs) bands (ev): -64.2182 -64.2182 -34.0289 -34.0289 -32.8306 -32.8306 -32.8305 -32.8305 1.6318 1.6318 7.6883 7.6883 8.8318 8.8318 8.9205 8.9205 9.5220 9.5220 9.5450 9.5450 10.0484 10.0484 10.3132 10.3132 10.3899 10.3899 10.5717 10.5717 10.9091 10.9091 11.3402 11.3402 11.3876 11.3876 12.1178 12.1178 12.1412 12.1412 13.5626 13.5626 14.0372 14.0372 14.5968 14.5968 14.7211 14.7211 16.0122 16.0122 16.9291 16.9291 k = 0.2308-0.1332 0.1884 ( 4616 PWs) bands (ev): -64.2199 -64.2199 -34.0290 -34.0290 -32.8307 -32.8307 -32.8305 -32.8305 1.6862 1.6862 7.6225 7.6225 8.8456 8.8456 8.9371 8.9371 9.5326 9.5326 9.5483 9.5483 9.9979 9.9979 10.3041 10.3041 10.3807 10.3807 10.5709 10.5709 10.9078 10.9078 11.2935 11.2935 11.3410 11.3410 12.0531 12.0531 12.1357 12.1357 13.5443 13.5443 14.0489 14.0489 14.5600 14.5600 14.6744 14.6744 15.8874 15.8874 16.9124 16.9124 k = 0.2404-0.1388 0.1963 ( 4632 PWs) bands (ev): -64.2215 -64.2215 -34.0290 -34.0290 -32.8308 -32.8308 -32.8306 -32.8306 1.7422 1.7422 7.5567 7.5567 8.8597 8.8597 8.9543 8.9543 9.5437 9.5437 9.5501 9.5501 9.9475 9.9475 10.2947 10.2947 10.3711 10.3711 10.5704 10.5704 10.9064 10.9064 11.2473 11.2473 11.2947 11.2947 11.9898 11.9898 12.1301 12.1301 13.5351 13.5351 14.0556 14.0556 14.5189 14.5189 14.6243 14.6243 15.7638 15.7638 16.8967 16.8967 k = 0.2500-0.1443 0.2041 ( 4632 PWs) bands (ev): -64.2216 -64.2216 -34.0291 -34.0291 -32.8308 -32.8308 -32.8306 -32.8306 1.7996 1.7996 7.4910 7.4910 8.8742 8.8742 8.9721 8.9721 9.5506 9.5506 9.5549 9.5549 9.8976 9.8976 10.2852 10.2852 10.3613 10.3613 10.5702 10.5702 10.9048 10.9048 11.2042 11.2042 11.2515 11.2515 11.9284 11.9284 12.1253 12.1253 13.5265 13.5265 14.0679 14.0679 14.4814 14.4814 14.5784 14.5784 15.6431 15.6431 16.8836 16.8836 k = 0.2596-0.1499 0.2120 ( 4632 PWs) bands (ev): -64.2215 -64.2215 -34.0291 -34.0291 -32.8309 -32.8309 -32.8306 -32.8306 1.8583 1.8583 7.4257 7.4257 8.8891 8.8891 8.9904 8.9904 9.5495 9.5495 9.5661 9.5661 9.8483 9.8483 10.2755 10.2755 10.3510 10.3510 10.5702 10.5702 10.9030 10.9030 11.1624 11.1624 11.2094 11.2094 11.8686 11.8686 12.1205 12.1205 13.5178 13.5178 14.0800 14.0800 14.4426 14.4426 14.5319 14.5319 15.5258 15.5258 16.8716 16.8716 k = 0.2692-0.1554 0.2198 ( 4624 PWs) bands (ev): -64.2207 -64.2207 -34.0291 -34.0291 -32.8309 -32.8309 -32.8306 -32.8306 1.9182 1.9182 7.3608 7.3608 8.9043 8.9043 9.0091 9.0091 9.5466 9.5466 9.5773 9.5773 9.7999 9.7999 10.2657 10.2657 10.3402 10.3402 10.5704 10.5704 10.9008 10.9008 11.1228 11.1228 11.1692 11.1692 11.8106 11.8106 12.1160 12.1160 13.5122 13.5122 14.0917 14.0917 14.4063 14.4063 14.4884 14.4884 15.4128 15.4128 16.8612 16.8612 k = 0.2788-0.1610 0.2277 ( 4620 PWs) bands (ev): -64.2203 -64.2203 -34.0291 -34.0291 -32.8309 -32.8309 -32.8306 -32.8306 1.9790 1.9790 7.2964 7.2964 8.9198 8.9198 9.0284 9.0284 9.5418 9.5418 9.5884 9.5884 9.7526 9.7526 10.2558 10.2558 10.3290 10.3290 10.5708 10.5708 10.8981 10.8981 11.0843 11.0843 11.1297 11.1297 11.7545 11.7545 12.1113 12.1113 13.5057 13.5057 14.1029 14.1029 14.3678 14.3678 14.4430 14.4430 15.3047 15.3047 16.8511 16.8511 k = 0.2885-0.1665 0.2355 ( 4628 PWs) bands (ev): -64.2211 -64.2211 -34.0291 -34.0291 -32.8309 -32.8309 -32.8306 -32.8306 2.0407 2.0407 7.2328 7.2328 8.9354 8.9354 9.0480 9.0480 9.5349 9.5349 9.5989 9.5989 9.7066 9.7066 10.2459 10.2459 10.3173 10.3173 10.5712 10.5712 10.8944 10.8944 11.0468 11.0468 11.0904 11.0904 11.7005 11.7005 12.1058 12.1058 13.4955 13.4955 14.1130 14.1130 14.3249 14.3249 14.3930 14.3930 15.2017 15.2017 16.8397 16.8397 k = 0.2981-0.1721 0.2434 ( 4620 PWs) bands (ev): -64.2202 -64.2202 -34.0291 -34.0291 -32.8309 -32.8309 -32.8306 -32.8306 2.1030 2.1030 7.1700 7.1700 8.9512 8.9512 9.0679 9.0679 9.5261 9.5261 9.6080 9.6080 9.6635 9.6635 10.2361 10.2361 10.3051 10.3051 10.5717 10.5717 10.8891 10.8891 11.0130 11.0130 11.0536 11.0536 11.6487 11.6487 12.1013 12.1013 13.4869 13.4869 14.1296 14.1296 14.2882 14.2882 14.3484 14.3484 15.1053 15.1053 16.8312 16.8312 k = 0.3077-0.1776 0.2512 ( 4624 PWs) bands (ev): -64.2206 -64.2206 -34.0292 -34.0292 -32.8310 -32.8310 -32.8306 -32.8306 2.1657 2.1657 7.1081 7.1081 8.9672 8.9672 9.0882 9.0882 9.5150 9.5150 9.6044 9.6044 9.6344 9.6344 10.2263 10.2263 10.2925 10.2925 10.5723 10.5723 10.8808 10.8808 10.9829 10.9829 11.0178 11.0178 11.5991 11.5991 12.0968 12.0968 13.4783 13.4783 14.1312 14.1312 14.2514 14.2514 14.3024 14.3024 15.0138 15.0138 16.8234 16.8234 k = 0.3173-0.1832 0.2591 ( 4624 PWs) bands (ev): -64.2206 -64.2206 -34.0292 -34.0292 -32.8310 -32.8310 -32.8307 -32.8307 2.2286 2.2286 7.0474 7.0474 8.9832 8.9832 9.1086 9.1086 9.5018 9.5018 9.5702 9.5702 9.6374 9.6374 10.2167 10.2167 10.2793 10.2793 10.5729 10.5729 10.8677 10.8677 10.9589 10.9589 10.9836 10.9836 11.5522 11.5522 12.0925 12.0925 13.4699 13.4699 14.1304 14.1304 14.2215 14.2215 14.2583 14.2583 14.9289 14.9289 16.8164 16.8164 k = 0.3269-0.1887 0.2669 ( 4640 PWs) bands (ev): -64.2223 -64.2223 -34.0292 -34.0292 -32.8311 -32.8311 -32.8307 -32.8307 2.2915 2.2915 6.9877 6.9877 8.9991 8.9991 9.1292 9.1292 9.4864 9.4864 9.5304 9.5304 9.6465 9.6465 10.2074 10.2074 10.2657 10.2657 10.5734 10.5734 10.8483 10.8483 10.9420 10.9420 10.9508 10.9508 11.5080 11.5080 12.0852 12.0852 13.4558 13.4558 14.1159 14.1159 14.1994 14.1994 14.2135 14.2135 14.8496 14.8496 16.8015 16.8015 k = 0.3365-0.1943 0.2748 ( 4640 PWs) bands (ev): -64.2222 -64.2222 -34.0293 -34.0293 -32.8311 -32.8311 -32.8308 -32.8308 2.3541 2.3541 6.9295 6.9295 9.0150 9.0150 9.1497 9.1497 9.4690 9.4690 9.4924 9.4924 9.6564 9.6564 10.1984 10.1984 10.2516 10.2516 10.5738 10.5738 10.8241 10.8241 10.9201 10.9201 10.9317 10.9317 11.4666 11.4666 12.0807 12.0807 13.4485 13.4485 14.0931 14.0931 14.1739 14.1739 14.1898 14.1898 14.7780 14.7780 16.7942 16.7942 k = 0.3462-0.1999 0.2826 ( 4640 PWs) bands (ev): -64.2222 -64.2222 -34.0293 -34.0293 -32.8311 -32.8311 -32.8308 -32.8308 2.4162 2.4162 6.8729 6.8729 9.0307 9.0307 9.1701 9.1701 9.4498 9.4498 9.4564 9.4564 9.6663 9.6663 10.1899 10.1899 10.2371 10.2371 10.5742 10.5742 10.7970 10.7970 10.8910 10.8910 10.9253 10.9253 11.4281 11.4281 12.0768 12.0768 13.4406 13.4406 14.0639 14.0639 14.1343 14.1343 14.1865 14.1865 14.7137 14.7137 16.7887 16.7887 k = 0.3558-0.2054 0.2905 ( 4640 PWs) bands (ev): -64.2222 -64.2222 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 2.4774 2.4774 6.8180 6.8180 9.0461 9.0461 9.1899 9.1899 9.4226 9.4226 9.4289 9.4289 9.6759 9.6759 10.1818 10.1818 10.2223 10.2223 10.5744 10.5744 10.7688 10.7688 10.8637 10.8637 10.9213 10.9213 11.3927 11.3927 12.0730 12.0730 13.4330 13.4330 14.0327 14.0327 14.0966 14.0966 14.1843 14.1843 14.6568 14.6568 16.7838 16.7838 k = 0.3654-0.2110 0.2983 ( 4632 PWs) bands (ev): -64.2213 -64.2213 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 2.5374 2.5374 6.7649 6.7649 9.0612 9.0612 9.2087 9.2087 9.3917 9.3917 9.4067 9.4067 9.6853 9.6853 10.1743 10.1743 10.2071 10.2071 10.5745 10.5745 10.7409 10.7409 10.8385 10.8385 10.9186 10.9186 11.3603 11.3603 12.0696 12.0696 13.4258 13.4258 14.0045 14.0045 14.0635 14.0635 14.1872 14.1872 14.6077 14.6077 16.7796 16.7796 k = 0.3750-0.2165 0.3062 ( 4636 PWs) bands (ev): -64.2217 -64.2217 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 2.5959 2.5959 6.7138 6.7138 9.0759 9.0759 9.2257 9.2257 9.3645 9.3645 9.3833 9.3833 9.6943 9.6943 10.1673 10.1673 10.1917 10.1917 10.5743 10.5743 10.7133 10.7133 10.8149 10.8149 10.9166 10.9166 11.3309 11.3309 12.0662 12.0662 13.4188 13.4188 13.9731 13.9731 14.0288 14.0288 14.1771 14.1771 14.5665 14.5665 16.7756 16.7756 k = 0.3846-0.2221 0.3140 ( 4636 PWs) bands (ev): -64.2216 -64.2216 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 2.6525 2.6525 6.6650 6.6650 9.0901 9.0901 9.2386 9.2386 9.3431 9.3431 9.3593 9.3593 9.7030 9.7030 10.1610 10.1610 10.1761 10.1761 10.5739 10.5739 10.6866 10.6866 10.7934 10.7934 10.9152 10.9152 11.3044 11.3044 12.0631 12.0631 13.4123 13.4123 13.9445 13.9445 13.9973 13.9973 14.1679 14.1679 14.5333 14.5333 16.7720 16.7720 k = 0.3942-0.2276 0.3219 ( 4620 PWs) bands (ev): -64.2199 -64.2199 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 2.7068 2.7068 6.6186 6.6186 9.1036 9.1036 9.2438 9.2438 9.3314 9.3314 9.3351 9.3351 9.7112 9.7112 10.1556 10.1556 10.1607 10.1607 10.5732 10.5732 10.6617 10.6617 10.7744 10.7744 10.9142 10.9142 11.2807 11.2807 12.0609 12.0609 13.4079 13.4079 13.9261 13.9261 13.9768 13.9768 14.1576 14.1576 14.5079 14.5079 16.7712 16.7712 k = 0.4038-0.2332 0.3297 ( 4620 PWs) bands (ev): -64.2198 -64.2198 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 2.7585 2.7585 6.5749 6.5749 9.1164 9.1164 9.2381 9.2381 9.3110 9.3110 9.3317 9.3317 9.7190 9.7190 10.1451 10.1451 10.1507 10.1507 10.5722 10.5722 10.6375 10.6375 10.7569 10.7569 10.9133 10.9133 11.2598 11.2598 12.0582 12.0582 13.4022 13.4022 13.9013 13.9013 13.9499 13.9499 14.1429 14.1429 14.4890 14.4890 16.7683 16.7683 k = 0.4135-0.2387 0.3376 ( 4632 PWs) bands (ev): -64.2210 -64.2210 -34.0294 -34.0294 -32.8313 -32.8313 -32.8308 -32.8308 2.8070 2.8070 6.5342 6.5342 9.1284 9.1284 9.2248 9.2248 9.2876 9.2876 9.3408 9.3408 9.7263 9.7263 10.1296 10.1296 10.1464 10.1464 10.5708 10.5708 10.6145 10.6145 10.7412 10.7412 10.9127 10.9127 11.2414 11.2414 12.0541 12.0541 13.3954 13.3954 13.8733 13.8733 13.9201 13.9201 14.1259 14.1259 14.4755 14.4755 16.7614 16.7614 k = 0.4231-0.2443 0.3454 ( 4620 PWs) bands (ev): -64.2197 -64.2197 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 2.8520 2.8520 6.4967 6.4967 9.1394 9.1394 9.2094 9.2094 9.2652 9.2652 9.3538 9.3538 9.7331 9.7331 10.1149 10.1149 10.1429 10.1429 10.5693 10.5693 10.5939 10.5939 10.7280 10.7280 10.9122 10.9122 11.2255 11.2255 12.0519 12.0519 13.3919 13.3919 13.8576 13.8576 13.9028 13.9028 14.1151 14.1151 14.4682 14.4682 16.7594 16.7594 k = 0.4327-0.2498 0.3533 ( 4620 PWs) bands (ev): -64.2197 -64.2197 -34.0294 -34.0294 -32.8313 -32.8313 -32.8308 -32.8308 2.8930 2.8930 6.4627 6.4627 9.1494 9.1494 9.1941 9.1941 9.2443 9.2443 9.3676 9.3676 9.7394 9.7394 10.1007 10.1007 10.1401 10.1401 10.5675 10.5675 10.5749 10.5749 10.7167 10.7167 10.9119 10.9119 11.2119 11.2119 12.0499 12.0499 13.3876 13.3876 13.8392 13.8392 13.8832 13.8832 14.0981 14.0981 14.4628 14.4628 16.7575 16.7575 k = 0.4423-0.2554 0.3611 ( 4636 PWs) bands (ev): -64.2213 -64.2213 -34.0294 -34.0294 -32.8314 -32.8314 -32.8309 -32.8309 2.9295 2.9295 6.4324 6.4324 9.1582 9.1582 9.1800 9.1800 9.2254 9.2254 9.3811 9.3811 9.7450 9.7450 10.0872 10.0872 10.1375 10.1375 10.5577 10.5577 10.5655 10.5655 10.7071 10.7071 10.9116 10.9116 11.2004 11.2004 12.0481 12.0481 13.3820 13.3820 13.8166 13.8166 13.8596 13.8596 14.0758 14.0758 14.4565 14.4565 16.7558 16.7558 k = 0.4519-0.2609 0.3690 ( 4636 PWs) bands (ev): -64.2213 -64.2213 -34.0294 -34.0294 -32.8314 -32.8314 -32.8309 -32.8309 2.9613 2.9613 6.4062 6.4062 9.1656 9.1656 9.1678 9.1678 9.2089 9.2089 9.3934 9.3934 9.7500 9.7500 10.0752 10.0752 10.1358 10.1358 10.5431 10.5431 10.5636 10.5636 10.6995 10.6995 10.9114 10.9114 11.1909 11.1909 12.0466 12.0466 13.3788 13.3788 13.8030 13.8030 13.8452 13.8452 14.0619 14.0619 14.4544 14.4544 16.7545 16.7545 k = 0.4615-0.2665 0.3768 ( 4636 PWs) bands (ev): -64.2212 -64.2212 -34.0294 -34.0294 -32.8314 -32.8314 -32.8308 -32.8308 2.9878 2.9878 6.3844 6.3844 9.1576 9.1576 9.1713 9.1713 9.1954 9.1954 9.4041 9.4041 9.7543 9.7543 10.0648 10.0648 10.1345 10.1345 10.5308 10.5308 10.5618 10.5618 10.6935 10.6935 10.9113 10.9113 11.1833 11.1833 12.0458 12.0458 13.3821 13.3821 13.7930 13.7930 13.8347 13.8347 14.0432 14.0432 14.4495 14.4495 16.7544 16.7544 k = 0.4712-0.2720 0.3847 ( 4636 PWs) bands (ev): -64.2212 -64.2212 -34.0294 -34.0294 -32.8314 -32.8314 -32.8308 -32.8308 3.0088 3.0088 6.3671 6.3671 9.1495 9.1495 9.1739 9.1739 9.1866 9.1866 9.4128 9.4128 9.7578 9.7578 10.0562 10.0562 10.1336 10.1336 10.5211 10.5211 10.5602 10.5602 10.6891 10.6891 10.9112 10.9112 11.1775 11.1775 12.0448 12.0448 13.3801 13.3801 13.7843 13.7843 13.8256 13.8256 14.0339 14.0339 14.4488 14.4488 16.7536 16.7536 k = 0.4808-0.2776 0.3925 ( 4612 PWs) bands (ev): -64.2186 -64.2186 -34.0294 -34.0294 -32.8313 -32.8313 -32.8308 -32.8308 3.0242 3.0242 6.3546 6.3546 9.1440 9.1440 9.1710 9.1710 9.1850 9.1850 9.4193 9.4193 9.7604 9.7604 10.0504 10.0504 10.1337 10.1337 10.5140 10.5140 10.5590 10.5590 10.6860 10.6860 10.9111 10.9111 11.1735 11.1735 12.0453 12.0453 13.3829 13.3829 13.7899 13.7899 13.8309 13.8309 14.0303 14.0303 14.4505 14.4505 16.7565 16.7565 k = 0.4904-0.2831 0.4004 ( 4612 PWs) bands (ev): -64.2186 -64.2186 -34.0294 -34.0294 -32.8313 -32.8313 -32.8308 -32.8308 3.0334 3.0334 6.3470 6.3470 9.1405 9.1405 9.1672 9.1672 9.1860 9.1860 9.4232 9.4232 9.7619 9.7619 10.0465 10.0465 10.1334 10.1334 10.5097 10.5097 10.5582 10.5582 10.6842 10.6842 10.9111 10.9111 11.1711 11.1711 12.0449 12.0449 13.3820 13.3820 13.7862 13.7862 13.8270 13.8270 14.0262 14.0262 14.4504 14.4504 16.7562 16.7562 k = 0.5000-0.2887 0.4082 ( 4568 PWs) bands (ev): -64.2140 -64.2140 -34.0293 -34.0293 -32.8312 -32.8312 -32.8307 -32.8307 3.0366 3.0366 6.3445 6.3445 9.1406 9.1406 9.1660 9.1660 9.1865 9.1865 9.4246 9.4246 9.7625 9.7625 10.0458 10.0458 10.1339 10.1339 10.5083 10.5083 10.5579 10.5579 10.6836 10.6836 10.9111 10.9111 11.1703 11.1703 12.0494 12.0494 13.3952 13.3952 13.7983 13.7983 13.8390 13.8390 14.0337 14.0337 14.4537 14.4537 16.7705 16.7705 k = 0.5000-0.2887 0.4082 ( 4568 PWs) bands (ev): -64.2140 -64.2140 -34.0293 -34.0293 -32.8312 -32.8312 -32.8307 -32.8307 3.0366 3.0366 6.3445 6.3445 9.1406 9.1406 9.1660 9.1660 9.1865 9.1865 9.4246 9.4246 9.7625 9.7625 10.0458 10.0458 10.1339 10.1339 10.5083 10.5083 10.5579 10.5579 10.6836 10.6836 10.9111 10.9111 11.1703 11.1703 12.0494 12.0494 13.3952 13.3952 13.7983 13.7983 13.8390 13.8390 14.0337 14.0337 14.4537 14.4537 16.7705 16.7705 k = 0.5000-0.2776 0.4161 ( 4602 PWs) bands (ev): -64.2176 -64.2176 -34.0294 -34.0294 -32.8313 -32.8313 -32.8308 -32.8308 3.0367 3.0367 6.3459 6.3459 9.1045 9.1045 9.1607 9.1607 9.2161 9.2161 9.4299 9.4299 9.7626 9.7626 10.0457 10.0457 10.1336 10.1336 10.5067 10.5067 10.5569 10.5569 10.6807 10.6807 10.9148 10.9148 11.1703 11.1703 12.0483 12.0483 13.3885 13.3885 13.7879 13.7879 13.8293 13.8293 14.0267 14.0267 14.4562 14.4562 16.7585 16.7585 k = 0.5000-0.2665 0.4240 ( 4614 PWs) bands (ev): -64.2189 -64.2189 -34.0294 -34.0294 -32.8313 -32.8313 -32.8308 -32.8308 3.0375 3.0375 6.3500 6.3500 9.0470 9.0470 9.1516 9.1516 9.2519 9.2519 9.4457 9.4457 9.7631 9.7631 10.0467 10.0467 10.1340 10.1340 10.5020 10.5020 10.5541 10.5541 10.6730 10.6730 10.9251 10.9251 11.1704 11.1704 12.0582 12.0582 13.3843 13.3843 13.7838 13.7838 13.8250 13.8250 14.0254 14.0254 14.4712 14.4712 16.7640 16.7640 k = 0.5000-0.2554 0.4318 ( 4622 PWs) bands (ev): -64.2197 -64.2197 -34.0294 -34.0294 -32.8314 -32.8314 -32.8308 -32.8308 3.0386 3.0386 6.3568 6.3568 8.9831 8.9831 9.1376 9.1376 9.2803 9.2803 9.4703 9.4703 9.7638 9.7638 10.0483 10.0483 10.1346 10.1346 10.4940 10.4940 10.5495 10.5495 10.6621 10.6621 10.9402 10.9402 11.1705 11.1705 12.0746 12.0746 13.3883 13.3883 13.7773 13.7773 13.8210 13.8210 14.0261 14.0261 14.4970 14.4970 16.7733 16.7733 k = 0.5000-0.2443 0.4397 ( 4622 PWs) bands (ev): -64.2198 -64.2198 -34.0294 -34.0294 -32.8314 -32.8314 -32.8308 -32.8308 3.0403 3.0403 6.3663 6.3663 8.9150 8.9150 9.1193 9.1193 9.3016 9.3016 9.5012 9.5012 9.7649 9.7649 10.0509 10.0509 10.1358 10.1358 10.4829 10.4829 10.5436 10.5436 10.6499 10.6499 10.9583 10.9583 11.1707 11.1707 12.0980 12.0980 13.3965 13.3965 13.7748 13.7748 13.8204 13.8204 14.0267 14.0267 14.5339 14.5339 16.7885 16.7885 k = 0.5000-0.2332 0.4475 ( 4630 PWs) bands (ev): -64.2206 -64.2206 -34.0294 -34.0294 -32.8314 -32.8314 -32.8309 -32.8309 3.0423 3.0423 6.3785 6.3785 8.8435 8.8435 9.0974 9.0974 9.3177 9.3177 9.5352 9.5352 9.7663 9.7663 10.0541 10.0541 10.1372 10.1372 10.4687 10.4687 10.5365 10.5365 10.6374 10.6374 10.9776 10.9776 11.1710 11.1710 12.1272 12.1272 13.4061 13.4061 13.7675 13.7675 13.8160 13.8160 14.0251 14.0251 14.5812 14.5812 16.8065 16.8065 k = 0.5000-0.2221 0.4554 ( 4626 PWs) bands (ev): -64.2202 -64.2202 -34.0294 -34.0294 -32.8314 -32.8314 -32.8308 -32.8308 3.0448 3.0448 6.3934 6.3934 8.7698 8.7698 9.0726 9.0726 9.3304 9.3304 9.5700 9.5700 9.7680 9.7680 10.0580 10.0580 10.1391 10.1391 10.4519 10.4519 10.5287 10.5287 10.6254 10.6254 10.9972 10.9972 11.1714 11.1714 12.1644 12.1644 13.4204 13.4204 13.7627 13.7627 13.8143 13.8143 14.0248 14.0248 14.6402 14.6402 16.8349 16.8349 k = 0.5000-0.2110 0.4632 ( 4620 PWs) bands (ev): -64.2196 -64.2196 -34.0294 -34.0294 -32.8314 -32.8314 -32.8308 -32.8308 3.0477 3.0477 6.4111 6.4111 8.6938 8.6938 9.0454 9.0454 9.3406 9.3406 9.6039 9.6039 9.7702 9.7702 10.0628 10.0628 10.1415 10.1415 10.4332 10.4332 10.5204 10.5204 10.6141 10.6141 11.0162 11.0162 11.1717 11.1717 12.2063 12.2063 13.4321 13.4321 13.7623 13.7623 13.8163 13.8163 14.0232 14.0232 14.7109 14.7109 16.8650 16.8650 k = 0.5000-0.1999 0.4711 ( 4620 PWs) bands (ev): -64.2197 -64.2197 -34.0294 -34.0294 -32.8313 -32.8313 -32.8308 -32.8308 3.0509 3.0509 6.4313 6.4313 8.6160 8.6160 9.0163 9.0163 9.3490 9.3490 9.6359 9.6359 9.7728 9.7728 10.0680 10.0680 10.1439 10.1439 10.4132 10.4132 10.5118 10.5118 10.6032 10.6032 11.0340 11.0340 11.1722 11.1722 12.2527 12.2527 13.4448 13.4448 13.7551 13.7551 13.8165 13.8165 14.0208 14.0208 14.7925 14.7925 16.8987 16.8987 k = 0.5000-0.1887 0.4789 ( 4612 PWs) bands (ev): -64.2189 -64.2189 -34.0294 -34.0294 -32.8313 -32.8313 -32.8308 -32.8308 3.0544 3.0544 6.4543 6.4543 8.5372 8.5372 8.9857 8.9857 9.3562 9.3562 9.6657 9.6657 9.7759 9.7759 10.0738 10.0738 10.1468 10.1468 10.3925 10.3925 10.5032 10.5032 10.5928 10.5928 11.0506 11.0506 11.1727 11.1727 12.3053 12.3053 13.4580 13.4580 13.7499 13.7499 13.8196 13.8196 14.0183 14.0183 14.8848 14.8848 16.9412 16.9412 k = 0.5000-0.1776 0.4868 ( 4616 PWs) bands (ev): -64.2193 -64.2193 -34.0294 -34.0294 -32.8313 -32.8313 -32.8308 -32.8308 3.0581 3.0581 6.4799 6.4799 8.4572 8.4572 8.9540 8.9540 9.3625 9.3625 9.6926 9.6926 9.7795 9.7795 10.0797 10.0797 10.1498 10.1498 10.3717 10.3717 10.4946 10.4946 10.5826 10.5826 11.0656 11.0656 11.1733 11.1733 12.3600 12.3600 13.4684 13.4684 13.7394 13.7394 13.8185 13.8185 14.0133 14.0133 14.9872 14.9872 16.9845 16.9845 k = 0.5000-0.1665 0.4946 ( 4620 PWs) bands (ev): -64.2198 -64.2198 -34.0294 -34.0294 -32.8313 -32.8313 -32.8308 -32.8308 3.0620 3.0620 6.5081 6.5081 8.3766 8.3766 8.9217 8.9217 9.3679 9.3679 9.7166 9.7166 9.7840 9.7840 10.0859 10.0859 10.1529 10.1529 10.3512 10.3512 10.4863 10.4863 10.5725 10.5725 11.0791 11.0791 11.1739 11.1739 12.4179 12.4179 13.4810 13.4810 13.7238 13.7238 13.8192 13.8192 14.0072 14.0072 15.0990 15.0990 17.0333 17.0333 k = 0.5000-0.1554 0.5025 ( 4616 PWs) bands (ev): -64.2194 -64.2194 -34.0294 -34.0294 -32.8313 -32.8313 -32.8308 -32.8308 3.0660 3.0660 6.5389 6.5389 8.2957 8.2957 8.8893 8.8893 9.3728 9.3728 9.7374 9.7374 9.7894 9.7894 10.0923 10.0923 10.1563 10.1563 10.3314 10.3314 10.4783 10.4783 10.5624 10.5624 11.0912 11.0912 11.1746 11.1746 12.4785 12.4785 13.4975 13.4975 13.7123 13.7123 13.8206 13.8206 14.0019 14.0019 15.2201 15.2201 17.0877 17.0877 k = 0.5000-0.1443 0.5103 ( 4616 PWs) bands (ev): -64.2194 -64.2194 -34.0294 -34.0294 -32.8313 -32.8313 -32.8308 -32.8308 3.0701 3.0701 6.5723 6.5723 8.2147 8.2147 8.8570 8.8570 9.3771 9.3771 9.7548 9.7548 9.7961 9.7961 10.0986 10.0986 10.1597 10.1597 10.3126 10.3126 10.4708 10.4708 10.5523 10.5523 11.1017 11.1017 11.1753 11.1753 12.5409 12.5409 13.5140 13.5140 13.6934 13.6934 13.8217 13.8217 13.9960 13.9960 15.3497 15.3497 17.1478 17.1478 k = 0.5000-0.1332 0.5182 ( 4616 PWs) bands (ev): -64.2194 -64.2194 -34.0294 -34.0294 -32.8313 -32.8313 -32.8308 -32.8308 3.0743 3.0743 6.6082 6.6082 8.1339 8.1339 8.8255 8.8255 9.3808 9.3808 9.7685 9.7685 9.8042 9.8042 10.1048 10.1048 10.1632 10.1632 10.2952 10.2952 10.4639 10.4639 10.5423 10.5423 11.1110 11.1110 11.1761 11.1761 12.6046 12.6046 13.5264 13.5264 13.6768 13.6768 13.8231 13.8231 13.9893 13.9893 15.4868 15.4868 17.2135 17.2135 k = 0.5000-0.1221 0.5260 ( 4608 PWs) bands (ev): -64.2186 -64.2186 -34.0294 -34.0294 -32.8313 -32.8313 -32.8308 -32.8308 3.0784 3.0784 6.6467 6.6467 8.0536 8.0536 8.7949 8.7949 9.3843 9.3843 9.7792 9.7792 9.8135 9.8135 10.1105 10.1105 10.1664 10.1664 10.2795 10.2795 10.4576 10.4576 10.5322 10.5322 11.1190 11.1190 11.1770 11.1770 12.6713 12.6713 13.5438 13.5438 13.6586 13.6586 13.8240 13.8240 13.9847 13.9847 15.6310 15.6310 17.2885 17.2885 k = 0.5000-0.1110 0.5339 ( 4614 PWs) bands (ev): -64.2192 -64.2192 -34.0294 -34.0294 -32.8313 -32.8313 -32.8308 -32.8308 3.0824 3.0824 6.6875 6.6875 7.9738 7.9738 8.7657 8.7657 9.3871 9.3871 9.7876 9.7876 9.8229 9.8229 10.1158 10.1158 10.1691 10.1691 10.2659 10.2659 10.4519 10.4519 10.5221 10.5221 11.1258 11.1258 11.1779 11.1779 12.7343 12.7343 13.5516 13.5516 13.6372 13.6372 13.8251 13.8251 13.9765 13.9765 15.7813 15.7813 17.3642 17.3642 k = 0.5000-0.0999 0.5417 ( 4606 PWs) bands (ev): -64.2184 -64.2184 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 3.0862 3.0862 6.7309 6.7309 7.8950 7.8950 8.7383 8.7383 9.3897 9.3897 9.7949 9.7949 9.8317 9.8317 10.1205 10.1205 10.1712 10.1712 10.2549 10.2549 10.4470 10.4470 10.5122 10.5122 11.1317 11.1317 11.1788 11.1788 12.7990 12.7990 13.5621 13.5621 13.6215 13.6215 13.8273 13.8273 13.9728 13.9728 15.9379 15.9379 17.4488 17.4488 k = 0.5000-0.0888 0.5496 ( 4606 PWs) bands (ev): -64.2184 -64.2184 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 3.0898 3.0898 6.7765 6.7765 7.8172 7.8172 8.7129 8.7129 9.3920 9.3920 9.8016 9.8016 9.8391 9.8391 10.1243 10.1243 10.1719 10.1719 10.2468 10.2468 10.4428 10.4428 10.5025 10.5025 11.1366 11.1366 11.1797 11.1797 12.8621 12.8621 13.5664 13.5664 13.6037 13.6037 13.8282 13.8282 13.9658 13.9658 16.0989 16.0989 17.5386 17.5386 k = 0.5000-0.0777 0.5574 ( 4610 PWs) bands (ev): -64.2188 -64.2188 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 3.0931 3.0931 6.8244 6.8244 7.7406 7.7406 8.6897 8.6897 9.3939 9.3939 9.8080 9.8080 9.8451 9.8451 10.1271 10.1271 10.1714 10.1714 10.2419 10.2419 10.4395 10.4395 10.4930 10.4930 11.1406 11.1406 11.1807 11.1807 12.9236 12.9236 13.5525 13.5525 13.5965 13.5965 13.8286 13.8286 13.9590 13.9590 16.2639 16.2639 17.6343 17.6343 k = 0.5000-0.0666 0.5653 ( 4616 PWs) bands (ev): -64.2194 -64.2194 -34.0294 -34.0294 -32.8312 -32.8312 -32.8308 -32.8308 3.0961 3.0961 6.8744 6.8744 7.6655 7.6655 8.6691 8.6691 9.3955 9.3955 9.8142 9.8142 9.8495 9.8495 10.1289 10.1289 10.1698 10.1698 10.2399 10.2399 10.4370 10.4370 10.4838 10.4838 11.1439 11.1439 11.1815 11.1815 12.9829 12.9829 13.5271 13.5271 13.5979 13.5979 13.8280 13.8280 13.9510 13.9510 16.4313 16.4313 17.7353 17.7353 k = 0.5000-0.0555 0.5731 ( 4616 PWs) bands (ev): -64.2194 -64.2194 -34.0294 -34.0294 -32.8312 -32.8312 -32.8309 -32.8309 3.0987 3.0987 6.9264 6.9264 7.5922 7.5922 8.6513 8.6513 9.3968 9.3968 9.8203 9.8203 9.8524 9.8524 10.1297 10.1297 10.1679 10.1679 10.2399 10.2399 10.4354 10.4354 10.4752 10.4752 11.1466 11.1466 11.1824 11.1824 13.0409 13.0409 13.4979 13.4979 13.6046 13.6046 13.8281 13.8281 13.9455 13.9455 16.6002 16.6002 17.8427 17.8427 k = 0.5000-0.0444 0.5810 ( 4612 PWs) bands (ev): -64.2190 -64.2190 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 3.1009 3.1009 6.9800 6.9800 7.5210 7.5210 8.6365 8.6365 9.3981 9.3981 9.8262 9.8262 9.8538 9.8538 10.1297 10.1297 10.1661 10.1661 10.2411 10.2411 10.4347 10.4347 10.4671 10.4671 11.1486 11.1486 11.1831 11.1831 13.0965 13.0965 13.4682 13.4682 13.6148 13.6148 13.8277 13.8277 13.9405 13.9405 16.7676 16.7676 17.9543 17.9543 k = 0.5000-0.0333 0.5888 ( 4620 PWs) bands (ev): -64.2199 -64.2199 -34.0294 -34.0294 -32.8312 -32.8312 -32.8309 -32.8309 3.1027 3.1027 7.0345 7.0345 7.4527 7.4527 8.6248 8.6248 9.3989 9.3989 9.8317 9.8317 9.8537 9.8537 10.1289 10.1289 10.1649 10.1649 10.2427 10.2427 10.4350 10.4350 10.4598 10.4598 11.1502 11.1502 11.1837 11.1837 13.1483 13.1483 13.4282 13.4282 13.6166 13.6166 13.8271 13.8271 13.9366 13.9366 16.9283 16.9283 18.0651 18.0651 k = 0.5000-0.0222 0.5967 ( 4616 PWs) bands (ev): -64.2194 -64.2194 -34.0294 -34.0294 -32.8312 -32.8312 -32.8309 -32.8309 3.1040 3.1040 7.0884 7.0884 7.3890 7.3890 8.6164 8.6164 9.3995 9.3995 9.8369 9.8369 9.8526 9.8526 10.1280 10.1280 10.1641 10.1641 10.2443 10.2443 10.4362 10.4362 10.4535 10.4535 11.1512 11.1512 11.1841 11.1841 13.1985 13.1985 13.3917 13.3917 13.6211 13.6211 13.8276 13.8276 13.9381 13.9381 17.0734 17.0734 18.1506 18.1506 k = 0.5000-0.0111 0.6045 ( 4612 PWs) bands (ev): -64.2190 -64.2190 -34.0293 -34.0293 -32.8312 -32.8312 -32.8309 -32.8309 3.1048 3.1048 7.1364 7.1364 7.3351 7.3351 8.6114 8.6114 9.3999 9.3999 9.8414 9.8414 9.8505 9.8505 10.1274 10.1274 10.1638 10.1638 10.2454 10.2454 10.4383 10.4383 10.4483 10.4483 11.1518 11.1518 11.1844 11.1844 13.2467 13.2467 13.3541 13.3541 13.6237 13.6237 13.8278 13.8278 13.9387 13.9387 17.1828 17.1828 18.1282 18.1282 k = 0.5000-0.0000 0.6124 ( 4600 PWs) bands (ev): -64.2177 -64.2177 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 3.1050 3.1050 7.1598 7.1598 7.3099 7.3099 8.6097 8.6097 9.4002 9.4002 9.8437 9.8437 9.8491 9.8491 10.1273 10.1273 10.1637 10.1637 10.2459 10.2459 10.4398 10.4398 10.4457 10.4457 11.1521 11.1521 11.1845 11.1845 13.2795 13.2795 13.3320 13.3320 13.6297 13.6297 13.8290 13.8290 13.9390 13.9390 17.2257 17.2257 18.0960 18.0960 k = 0.5000-0.0000 0.6124 ( 4600 PWs) bands (ev): -64.2177 -64.2177 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 3.1050 3.1050 7.1598 7.1598 7.3099 7.3099 8.6097 8.6097 9.4002 9.4002 9.8437 9.8437 9.8491 9.8491 10.1273 10.1273 10.1637 10.1637 10.2459 10.2459 10.4398 10.4398 10.4457 10.4457 11.1521 11.1521 11.1845 11.1845 13.2795 13.2795 13.3320 13.3320 13.6297 13.6297 13.8290 13.8290 13.9390 13.9390 17.2257 17.2257 18.0960 18.0960 k = 0.4934 0.0114 0.6124 ( 4608 PWs) bands (ev): -64.2186 -64.2186 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 3.1044 3.1044 7.1481 7.1481 7.3216 7.3216 8.6119 8.6119 9.3999 9.3999 9.8426 9.8426 9.8500 9.8500 10.1273 10.1273 10.1641 10.1641 10.2456 10.2456 10.4385 10.4385 10.4472 10.4472 11.1525 11.1525 11.1851 11.1851 13.2604 13.2604 13.3442 13.3442 13.6278 13.6278 13.8284 13.8284 13.9379 13.9379 17.1985 17.1985 18.1097 18.1097 k = 0.4868 0.0228 0.6124 ( 4616 PWs) bands (ev): -64.2194 -64.2194 -34.0294 -34.0294 -32.8312 -32.8312 -32.8309 -32.8309 3.1026 3.1026 7.1214 7.1214 7.3481 7.3481 8.6185 8.6185 9.3993 9.3993 9.8403 9.8403 9.8522 9.8522 10.1277 10.1277 10.1654 10.1654 10.2449 10.2449 10.4361 10.4361 10.4501 10.4501 11.1538 11.1538 11.1868 11.1868 13.2299 13.2299 13.3696 13.3696 13.6259 13.6259 13.8249 13.8249 13.9367 13.9367 17.1202 17.1202 18.1494 18.1494 k = 0.4803 0.0342 0.6124 ( 4617 PWs) bands (ev): -64.2195 -64.2195 -34.0294 -34.0294 -32.8312 -32.8312 -32.8309 -32.8309 3.0999 3.0999 7.0896 7.0896 7.3790 7.3790 8.6302 8.6302 9.3983 9.3983 9.8378 9.8378 9.8546 9.8546 10.1284 10.1284 10.1675 10.1675 10.2442 10.2442 10.4335 10.4335 10.4531 10.4531 11.1562 11.1562 11.1900 11.1900 13.1966 13.1966 13.3962 13.3962 13.6285 13.6285 13.8254 13.8254 13.9378 13.9378 17.0039 17.0039 18.1926 18.1926 k = 0.4737 0.0456 0.6124 ( 4611 PWs) bands (ev): -64.2189 -64.2189 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 3.0964 3.0964 7.0567 7.0567 7.4094 7.4094 8.6469 8.6469 9.3967 9.3967 9.8352 9.8352 9.8572 9.8572 10.1292 10.1292 10.1705 10.1705 10.2435 10.2435 10.4309 10.4309 10.4560 10.4560 11.1591 11.1591 11.1950 11.1950 13.1605 13.1605 13.4243 13.4243 13.6356 13.6356 13.8275 13.8275 13.9432 13.9432 16.8652 16.8652 18.2065 18.2065 k = 0.4671 0.0570 0.6124 ( 4615 PWs) bands (ev): -64.2193 -64.2193 -34.0294 -34.0294 -32.8312 -32.8312 -32.8308 -32.8308 3.0923 3.0923 7.0245 7.0245 7.4375 7.4375 8.6682 8.6682 9.3943 9.3943 9.8325 9.8325 9.8598 9.8598 10.1303 10.1303 10.1740 10.1740 10.2430 10.2430 10.4281 10.4281 10.4587 10.4587 11.1623 11.1623 11.2026 11.2026 13.1195 13.1195 13.4505 13.4505 13.6410 13.6410 13.8290 13.8290 13.9434 13.9434 16.7149 16.7149 18.1961 18.1961 k = 0.4605 0.0684 0.6124 ( 4615 PWs) bands (ev): -64.2193 -64.2193 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 3.0878 3.0878 6.9938 6.9938 7.4623 7.4623 8.6938 8.6938 9.3913 9.3913 9.8300 9.8300 9.8624 9.8624 10.1316 10.1316 10.1779 10.1779 10.2428 10.2428 10.4252 10.4252 10.4610 10.4610 11.1652 11.1652 11.2132 11.2132 13.0785 13.0785 13.4776 13.4776 13.6504 13.6504 13.8288 13.8288 13.9441 13.9441 16.5604 16.5604 18.1804 18.1804 k = 0.4539 0.0798 0.6124 ( 4617 PWs) bands (ev): -64.2195 -64.2195 -34.0294 -34.0294 -32.8312 -32.8312 -32.8308 -32.8308 3.0831 3.0831 6.9648 6.9648 7.4837 7.4837 8.7232 8.7232 9.3875 9.3875 9.8275 9.8275 9.8651 9.8651 10.1331 10.1331 10.1819 10.1819 10.2432 10.2432 10.4221 10.4221 10.4629 10.4629 11.1677 11.1677 11.2272 11.2272 13.0359 13.0359 13.5024 13.5024 13.6600 13.6600 13.8268 13.8268 13.9466 13.9466 16.4068 16.4068 18.1639 18.1639 k = 0.4474 0.0912 0.6124 ( 4615 PWs) bands (ev): -64.2193 -64.2193 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 3.0782 3.0782 6.9378 6.9378 7.5015 7.5015 8.7558 8.7558 9.3829 9.3829 9.8252 9.8252 9.8678 9.8678 10.1349 10.1349 10.1854 10.1854 10.2448 10.2448 10.4187 10.4187 10.4645 10.4645 11.1697 11.1697 11.2446 11.2446 12.9925 12.9925 13.5267 13.5267 13.6738 13.6738 13.8261 13.8261 13.9492 13.9492 16.2571 16.2571 18.1485 18.1485 k = 0.4408 0.1026 0.6124 ( 4609 PWs) bands (ev): -64.2187 -64.2187 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 3.0734 3.0734 6.9130 6.9130 7.5160 7.5160 8.7906 8.7906 9.3775 9.3775 9.8230 9.8230 9.8705 9.8705 10.1369 10.1369 10.1882 10.1882 10.2478 10.2478 10.4150 10.4150 10.4657 10.4657 11.1713 11.1713 11.2652 11.2652 12.9479 12.9479 13.5530 13.5530 13.6910 13.6910 13.8250 13.8250 13.9523 13.9523 16.1132 16.1132 18.1347 18.1347 k = 0.4342 0.1140 0.6124 ( 4607 PWs) bands (ev): -64.2185 -64.2185 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 3.0686 3.0686 6.8904 6.8904 7.5276 7.5276 8.8266 8.8266 9.3711 9.3711 9.8210 9.8210 9.8730 9.8730 10.1390 10.1390 10.1900 10.1900 10.2523 10.2523 10.4109 10.4109 10.4666 10.4666 11.1727 11.1727 11.2887 11.2887 12.9033 12.9033 13.5752 13.5752 13.7070 13.7070 13.8232 13.8232 13.9541 13.9541 15.9775 15.9775 18.1225 18.1225 k = 0.4276 0.1253 0.6124 ( 4625 PWs) bands (ev): -64.2204 -64.2204 -34.0294 -34.0294 -32.8313 -32.8313 -32.8308 -32.8308 3.0641 3.0641 6.8700 6.8700 7.5364 7.5364 8.8629 8.8629 9.3636 9.3636 9.8190 9.8190 9.8754 9.8754 10.1411 10.1411 10.1906 10.1906 10.2580 10.2580 10.4063 10.4063 10.4671 10.4671 11.1738 11.1738 11.3146 11.3146 12.8540 12.8540 13.5930 13.5930 13.7168 13.7168 13.8155 13.8155 13.9502 13.9502 15.8487 15.8487 18.1087 18.1087 k = 0.4211 0.1367 0.6124 ( 4617 PWs) bands (ev): -64.2195 -64.2195 -34.0293 -34.0293 -32.8313 -32.8313 -32.8308 -32.8308 3.0599 3.0599 6.8519 6.8519 7.5433 7.5433 8.8988 8.8988 9.3556 9.3556 9.8174 9.8174 9.8777 9.8777 10.1435 10.1435 10.1907 10.1907 10.2650 10.2650 10.4015 10.4015 10.4676 10.4676 11.1747 11.1747 11.3423 11.3423 12.8090 12.8090 13.6133 13.6133 13.7377 13.7377 13.8183 13.8183 13.9513 13.9513 15.7326 15.7326 18.0990 18.0990 k = 0.4145 0.1481 0.6124 ( 4615 PWs) bands (ev): -64.2193 -64.2193 -34.0293 -34.0293 -32.8313 -32.8313 -32.8308 -32.8308 3.0561 3.0561 6.8362 6.8362 7.5483 7.5483 8.9331 8.9331 9.3469 9.3469 9.8159 9.8159 9.8797 9.8797 10.1460 10.1460 10.1899 10.1899 10.2727 10.2727 10.3963 10.3963 10.4677 10.4677 11.1755 11.1755 11.3709 11.3709 12.7660 12.7660 13.6326 13.6326 13.7557 13.7557 13.8159 13.8159 13.9503 13.9503 15.6283 15.6283 18.0910 18.0910 k = 0.4079 0.1595 0.6124 ( 4615 PWs) bands (ev): -64.2193 -64.2193 -34.0293 -34.0293 -32.8313 -32.8313 -32.8308 -32.8308 3.0527 3.0527 6.8229 6.8229 7.5520 7.5520 8.9650 8.9650 9.3377 9.3377 9.8146 9.8146 9.8816 9.8816 10.1483 10.1483 10.1887 10.1887 10.2807 10.2807 10.3909 10.3909 10.4678 10.4678 11.1761 11.1761 11.3991 11.3991 12.7255 12.7255 13.6484 13.6484 13.7721 13.7721 13.8129 13.8129 13.9493 13.9493 15.5374 15.5374 18.0843 18.0843 k = 0.4013 0.1709 0.6124 ( 4611 PWs) bands (ev): -64.2189 -64.2189 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 3.0499 3.0499 6.8120 6.8120 7.5546 7.5546 8.9935 8.9935 9.3286 9.3286 9.8136 9.8136 9.8831 9.8831 10.1506 10.1506 10.1873 10.1873 10.2885 10.2885 10.3855 10.3855 10.4678 10.4678 11.1767 11.1767 11.4256 11.4256 12.6890 12.6890 13.6650 13.6650 13.7879 13.7879 13.8136 13.8136 13.9471 13.9471 15.4607 15.4607 18.0784 18.0784 k = 0.3947 0.1823 0.6124 ( 4605 PWs) bands (ev): -64.2183 -64.2183 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 3.0477 3.0477 6.8035 6.8035 7.5564 7.5564 9.0176 9.0176 9.3201 9.3201 9.8128 9.8128 9.8844 9.8844 10.1527 10.1527 10.1859 10.1859 10.2956 10.2956 10.3804 10.3804 10.4678 10.4678 11.1771 11.1771 11.4487 11.4487 12.6580 12.6580 13.6816 13.6816 13.7958 13.7958 13.8210 13.8210 13.9451 13.9451 15.3992 15.3992 18.0737 18.0737 k = 0.3882 0.1937 0.6124 ( 4604 PWs) bands (ev): -64.2181 -64.2181 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 3.0461 3.0461 6.7974 6.7974 7.5576 7.5576 9.0361 9.0361 9.3130 9.3130 9.8122 9.8122 9.8853 9.8853 10.1544 10.1544 10.1846 10.1846 10.3016 10.3016 10.3760 10.3760 10.4677 10.4677 11.1773 11.1773 11.4668 11.4668 12.6353 12.6353 13.6907 13.6907 13.7947 13.7947 13.8315 13.8315 13.9412 13.9412 15.3557 15.3557 18.0712 18.0712 k = 0.3816 0.2051 0.6124 ( 4610 PWs) bands (ev): -64.2188 -64.2188 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 3.0451 3.0451 6.7937 6.7937 7.5582 7.5582 9.0477 9.0477 9.3079 9.3079 9.8117 9.8117 9.8858 9.8858 10.1553 10.1553 10.1837 10.1837 10.3056 10.3056 10.3729 10.3729 10.4677 10.4677 11.1775 11.1775 11.4783 11.4783 12.6184 12.6184 13.6946 13.6946 13.7930 13.7930 13.8372 13.8372 13.9383 13.9383 15.3273 15.3273 18.0675 18.0675 k = 0.3750 0.2165 0.6124 ( 4604 PWs) bands (ev): -64.2181 -64.2181 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 3.0448 3.0448 6.7925 6.7925 7.5584 7.5584 9.0518 9.0518 9.3062 9.3062 9.8117 9.8117 9.8860 9.8860 10.1558 10.1558 10.1835 10.1835 10.3071 10.3071 10.3718 10.3718 10.4677 10.4677 11.1776 11.1776 11.4823 11.4823 12.6136 12.6136 13.7006 13.7006 13.7933 13.7933 13.8418 13.8418 13.9391 13.9391 15.3183 15.3183 18.0672 18.0672 k = 0.3750 0.2165 0.6124 ( 4604 PWs) bands (ev): -64.2181 -64.2181 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 3.0448 3.0448 6.7925 6.7925 7.5584 7.5584 9.0518 9.0518 9.3062 9.3062 9.8117 9.8117 9.8860 9.8860 10.1558 10.1558 10.1835 10.1835 10.3071 10.3071 10.3718 10.3718 10.4677 10.4677 11.1776 11.1776 11.4823 11.4823 12.6136 12.6136 13.7006 13.7006 13.7933 13.7933 13.8418 13.8418 13.9391 13.9391 15.3183 15.3183 18.0672 18.0672 k = 0.3682 0.2126 0.6012 ( 4604 PWs) bands (ev): -64.2182 -64.2182 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 3.0366 3.0366 6.8405 6.8405 7.4789 7.4789 9.0308 9.0308 9.3201 9.3201 9.8187 9.8187 9.8974 9.8974 10.1597 10.1597 10.1900 10.1900 10.2960 10.2960 10.3726 10.3726 10.4556 10.4556 11.1789 11.1789 11.5243 11.5243 12.6578 12.6578 13.6901 13.6901 13.7988 13.7988 13.8876 13.8876 13.9283 13.9283 15.3367 15.3367 18.2495 18.2495 k = 0.3614 0.2086 0.5901 ( 4604 PWs) bands (ev): -64.2182 -64.2182 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 3.0260 3.0260 6.8900 6.8900 7.4050 7.4050 9.0100 9.0100 9.3343 9.3343 9.8260 9.8260 9.9075 9.9075 10.1612 10.1612 10.1966 10.1966 10.2858 10.2858 10.3745 10.3745 10.4452 10.4452 11.1802 11.1802 11.5668 11.5668 12.7036 12.7036 13.6758 13.6758 13.8025 13.8025 13.9179 13.9179 13.9412 13.9412 15.3488 15.3488 18.4399 18.4399 k = 0.3545 0.2047 0.5790 ( 4608 PWs) bands (ev): -64.2186 -64.2186 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 3.0129 3.0129 6.9403 6.9403 7.3378 7.3378 8.9893 8.9893 9.3488 9.3488 9.8337 9.8337 9.9163 9.9163 10.1604 10.1604 10.2031 10.2031 10.2769 10.2769 10.3757 10.3757 10.4383 10.4383 11.1816 11.1816 11.6092 11.6092 12.7512 12.7512 13.6621 13.6621 13.8050 13.8050 13.9074 13.9074 13.9926 13.9926 15.3545 15.3545 18.6358 18.6358 k = 0.3477 0.2008 0.5678 ( 4600 PWs) bands (ev): -64.2177 -64.2177 -34.0293 -34.0293 -32.8312 -32.8312 -32.8307 -32.8307 2.9970 2.9970 6.9900 6.9900 7.2795 7.2795 8.9688 8.9688 9.3634 9.3634 9.8417 9.8417 9.9241 9.9241 10.1572 10.1572 10.2092 10.2092 10.2695 10.2695 10.3744 10.3744 10.4371 10.4371 11.1830 11.1830 11.6519 11.6519 12.8037 12.8037 13.6476 13.6476 13.8142 13.8142 13.9001 13.9001 14.0489 14.0489 15.3569 15.3569 18.8334 18.8334 k = 0.3409 0.1968 0.5567 ( 4610 PWs) bands (ev): -64.2188 -64.2188 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 2.9781 2.9781 7.0342 7.0342 7.2345 7.2345 8.9484 8.9484 9.3781 9.3781 9.8500 9.8500 9.9308 9.9308 10.1514 10.1514 10.2149 10.2149 10.2629 10.2629 10.3700 10.3700 10.4417 10.4417 11.1843 11.1843 11.6943 11.6943 12.8537 12.8537 13.6326 13.6326 13.8151 13.8151 13.8901 13.8901 14.1018 14.1018 15.3514 15.3514 19.0175 19.0175 k = 0.3341 0.1929 0.5456 ( 4620 PWs) bands (ev): -64.2198 -64.2198 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 2.9562 2.9562 7.0606 7.0606 7.2161 7.2161 8.9286 8.9286 9.3927 9.3927 9.8586 9.8586 9.9366 9.9366 10.1433 10.1433 10.2205 10.2205 10.2566 10.2566 10.3644 10.3644 10.4511 10.4511 11.1856 11.1856 11.7370 11.7370 12.9061 12.9061 13.6108 13.6108 13.8162 13.8162 13.8833 13.8833 14.1598 14.1598 15.3417 15.3417 19.1558 19.1558 k = 0.3273 0.1890 0.5344 ( 4612 PWs) bands (ev): -64.2190 -64.2190 -34.0293 -34.0293 -32.8312 -32.8312 -32.8307 -32.8307 2.9310 2.9310 7.0559 7.0559 7.2374 7.2374 8.9093 8.9093 9.4077 9.4077 9.8675 9.8675 9.9417 9.9417 10.1334 10.1334 10.2261 10.2261 10.2495 10.2495 10.3596 10.3596 10.4636 10.4636 11.1869 11.1869 11.7797 11.7797 12.9651 12.9651 13.5953 13.5953 13.8191 13.8191 13.8860 13.8860 14.2214 14.2214 15.3314 15.3314 19.1695 19.1695 k = 0.3205 0.1850 0.5233 ( 4608 PWs) bands (ev): -64.2186 -64.2186 -34.0293 -34.0293 -32.8312 -32.8312 -32.8307 -32.8307 2.9025 2.9025 7.0337 7.0337 7.2850 7.2850 8.8905 8.8905 9.4223 9.4223 9.8766 9.8766 9.9461 9.9461 10.1224 10.1224 10.2314 10.2314 10.2415 10.2415 10.3569 10.3569 10.4780 10.4780 11.1882 11.1882 11.8224 11.8224 13.0256 13.0256 13.5780 13.5780 13.8175 13.8175 13.8917 13.8917 14.2845 14.2845 15.3160 15.3160 19.0843 19.0843 k = 0.3136 0.1811 0.5122 ( 4596 PWs) bands (ev): -64.2174 -64.2174 -34.0292 -34.0292 -32.8311 -32.8311 -32.8307 -32.8307 2.8706 2.8706 7.0094 7.0094 7.3435 7.3435 8.8726 8.8726 9.4367 9.4367 9.8857 9.8857 9.9499 9.9499 10.1108 10.1108 10.2283 10.2283 10.2406 10.2406 10.3565 10.3565 10.4939 10.4939 11.1896 11.1896 11.8659 11.8659 13.0871 13.0871 13.5602 13.5602 13.8147 13.8147 13.9058 13.9058 14.3555 14.3555 15.2974 15.2974 18.9750 18.9750 k = 0.3068 0.1771 0.5010 ( 4592 PWs) bands (ev): -64.2170 -64.2170 -34.0292 -34.0292 -32.8311 -32.8311 -32.8306 -32.8306 2.8355 2.8355 6.9885 6.9885 7.4070 7.4070 8.8551 8.8551 9.4508 9.4508 9.8946 9.8946 9.9529 9.9529 10.0993 10.0993 10.2167 10.2167 10.2468 10.2468 10.3583 10.3583 10.5105 10.5105 11.1908 11.1908 11.9088 11.9088 13.1498 13.1498 13.5427 13.5427 13.8069 13.8069 13.9203 13.9203 14.4235 14.4235 15.2753 15.2753 18.8602 18.8602 k = 0.3000 0.1732 0.4899 ( 4608 PWs) bands (ev): -64.2187 -64.2187 -34.0292 -34.0292 -32.8311 -32.8311 -32.8307 -32.8307 2.7971 2.7971 6.9730 6.9730 7.4735 7.4735 8.8378 8.8378 9.4644 9.4644 9.9029 9.9029 9.9554 9.9554 10.0883 10.0883 10.2034 10.2034 10.2539 10.2539 10.3619 10.3619 10.5276 10.5276 11.1920 11.1920 11.9506 11.9506 13.2120 13.2120 13.5195 13.5195 13.7958 13.7958 13.9297 13.9297 14.4842 14.4842 15.2493 15.2493 18.7443 18.7443 k = 0.2932 0.1693 0.4788 ( 4608 PWs) bands (ev): -64.2187 -64.2187 -34.0292 -34.0292 -32.8311 -32.8311 -32.8307 -32.8307 2.7555 2.7555 6.9637 6.9637 7.5423 7.5423 8.8215 8.8215 9.4775 9.4775 9.9102 9.9102 9.9573 9.9573 10.0786 10.0786 10.1899 10.1899 10.2615 10.2615 10.3668 10.3668 10.5453 10.5453 11.1932 11.1932 11.9931 11.9931 13.2777 13.2777 13.4983 13.4983 13.7870 13.7870 13.9491 13.9491 14.5523 14.5523 15.2228 15.2228 18.6304 18.6304 k = 0.2864 0.1653 0.4676 ( 4612 PWs) bands (ev): -64.2191 -64.2191 -34.0292 -34.0292 -32.8311 -32.8311 -32.8306 -32.8306 2.7110 2.7110 6.9606 6.9606 7.6126 7.6126 8.8060 8.8060 9.4900 9.4900 9.9154 9.9154 9.9590 9.9590 10.0710 10.0710 10.1768 10.1768 10.2695 10.2695 10.3727 10.3727 10.5634 10.5634 11.1943 11.1943 12.0356 12.0356 13.3443 13.3443 13.4759 13.4759 13.7755 13.7755 13.9686 13.9686 14.6214 14.6214 15.1945 15.1945 18.5184 18.5184 k = 0.2795 0.1614 0.4565 ( 4616 PWs) bands (ev): -64.2196 -64.2196 -34.0292 -34.0292 -32.8311 -32.8311 -32.8306 -32.8306 2.6637 2.6637 6.9639 6.9639 7.6842 7.6842 8.7910 8.7910 9.5016 9.5016 9.9173 9.9173 9.9611 9.9611 10.0660 10.0660 10.1648 10.1648 10.2778 10.2778 10.3793 10.3793 10.5817 10.5817 11.1954 11.1954 12.0776 12.0776 13.4104 13.4104 13.4524 13.4524 13.7676 13.7676 13.9910 13.9910 14.6888 14.6888 15.1656 15.1656 18.4090 18.4090 k = 0.2727 0.1575 0.4454 ( 4614 PWs) bands (ev): -64.2194 -64.2194 -34.0292 -34.0292 -32.8311 -32.8311 -32.8306 -32.8306 2.6138 2.6138 6.9735 6.9735 7.7567 7.7567 8.7770 8.7770 9.5125 9.5125 9.9151 9.9151 9.9641 9.9641 10.0641 10.0641 10.1545 10.1545 10.2864 10.2864 10.3863 10.3863 10.6004 10.6004 11.1966 11.1966 12.1199 12.1199 13.4294 13.4294 13.4753 13.4753 13.7646 13.7646 14.0174 14.0174 14.7584 14.7584 15.1365 15.1365 18.3025 18.3025 k = 0.2659 0.1535 0.4342 ( 4622 PWs) bands (ev): -64.2202 -64.2202 -34.0292 -34.0292 -32.8311 -32.8311 -32.8306 -32.8306 2.5616 2.5616 6.9889 6.9889 7.8296 7.8296 8.7636 8.7636 9.5222 9.5222 9.9086 9.9086 9.9677 9.9677 10.0654 10.0654 10.1464 10.1464 10.2953 10.2953 10.3938 10.3938 10.6194 10.6194 11.1977 11.1977 12.1618 12.1618 13.4037 13.4037 13.5376 13.5376 13.7610 13.7610 14.0401 14.0401 14.8257 14.8257 15.1078 15.1078 18.1983 18.1983 k = 0.2591 0.1496 0.4231 ( 4630 PWs) bands (ev): -64.2211 -64.2211 -34.0292 -34.0292 -32.8311 -32.8311 -32.8306 -32.8306 2.5074 2.5074 7.0100 7.0100 7.9028 7.9028 8.7510 8.7510 9.5309 9.5309 9.8986 9.8986 9.9712 9.9712 10.0697 10.0697 10.1412 10.1412 10.3044 10.3044 10.4014 10.4014 10.6389 10.6389 11.1989 11.1989 12.2037 12.2037 13.3733 13.3733 13.5906 13.5906 13.7669 13.7669 14.0670 14.0670 14.8929 14.8929 15.0808 15.0808 18.0974 18.0974 k = 0.2523 0.1456 0.4120 ( 4632 PWs) bands (ev): -64.2213 -64.2213 -34.0292 -34.0292 -32.8311 -32.8311 -32.8306 -32.8306 2.4515 2.4515 7.0366 7.0366 7.9758 7.9758 8.7394 8.7394 9.5384 9.5384 9.8862 9.8862 9.9745 9.9745 10.0766 10.0766 10.1396 10.1396 10.3138 10.3138 10.4093 10.4093 10.6589 10.6589 11.2003 11.2003 12.2455 12.2455 13.3459 13.3459 13.6265 13.6265 13.7898 13.7898 14.0986 14.0986 14.9588 14.9588 15.0570 15.0570 18.0000 18.0000 k = 0.2455 0.1417 0.4008 ( 4630 PWs) bands (ev): -64.2211 -64.2211 -34.0292 -34.0292 -32.8311 -32.8311 -32.8306 -32.8306 2.3940 2.3940 7.0683 7.0683 8.0481 8.0481 8.7286 8.7286 9.5447 9.5447 9.8720 9.8720 9.9774 9.9774 10.0857 10.0857 10.1415 10.1415 10.3234 10.3234 10.4172 10.4172 10.6796 10.6796 11.2019 11.2019 12.2876 12.2876 13.3176 13.3176 13.6470 13.6470 13.8301 13.8301 14.1317 14.1317 15.0206 15.0206 15.0411 15.0411 17.9059 17.9059 k = 0.2386 0.1378 0.3897 ( 4630 PWs) bands (ev): -64.2211 -64.2211 -34.0292 -34.0292 -32.8311 -32.8311 -32.8306 -32.8306 2.3354 2.3354 7.1048 7.1048 8.1192 8.1192 8.7188 8.7188 9.5496 9.5496 9.8564 9.8564 9.9802 9.9802 10.0965 10.0965 10.1466 10.1466 10.3332 10.3332 10.4252 10.4252 10.7008 10.7008 11.2035 11.2035 12.3305 12.3305 13.2884 13.2884 13.6530 13.6530 13.8791 13.8791 14.1637 14.1637 15.0199 15.0199 15.0933 15.0933 17.8149 17.8149 k = 0.2318 0.1338 0.3786 ( 4638 PWs) bands (ev): -64.2220 -64.2220 -34.0292 -34.0292 -32.8311 -32.8311 -32.8306 -32.8306 2.2759 2.2759 7.1456 7.1456 8.1887 8.1887 8.7096 8.7096 9.5531 9.5531 9.8399 9.8399 9.9839 9.9839 10.1089 10.1089 10.1547 10.1547 10.3432 10.3432 10.4333 10.4333 10.7229 10.7229 11.2054 11.2054 12.3715 12.3715 13.2556 13.2556 13.6515 13.6515 13.9272 13.9272 14.1982 14.1982 15.0130 15.0130 15.1499 15.1499 17.7275 17.7275 k = 0.2250 0.1299 0.3674 ( 4638 PWs) bands (ev): -64.2220 -64.2220 -34.0292 -34.0292 -32.8311 -32.8311 -32.8306 -32.8306 2.2158 2.2158 7.1904 7.1904 8.2560 8.2560 8.7016 8.7016 9.5554 9.5554 9.8227 9.8227 9.9893 9.9893 10.1225 10.1225 10.1654 10.1654 10.3535 10.3535 10.4414 10.4414 10.7461 10.7461 11.2077 11.2077 12.4137 12.4137 13.2244 13.2244 13.6470 13.6470 13.9730 13.9730 14.2353 14.2353 15.0157 15.0157 15.2076 15.2076 17.6438 17.6438 k = 0.2182 0.1260 0.3563 ( 4646 PWs) bands (ev): -64.2228 -64.2228 -34.0292 -34.0292 -32.8311 -32.8311 -32.8306 -32.8306 2.1554 2.1554 7.2388 7.2388 8.3203 8.3203 8.6944 8.6944 9.5564 9.5564 9.8051 9.8051 9.9972 9.9972 10.1372 10.1372 10.1780 10.1780 10.3640 10.3640 10.4495 10.4495 10.7700 10.7700 11.2102 11.2102 12.4552 12.4552 13.1922 13.1922 13.6372 13.6372 14.0091 14.0091 14.2711 14.2711 15.0299 15.0299 15.2588 15.2588 17.5635 17.5635 k = 0.2114 0.1220 0.3452 ( 4638 PWs) bands (ev): -64.2220 -64.2220 -34.0291 -34.0291 -32.8310 -32.8310 -32.8305 -32.8305 2.0948 2.0948 7.2905 7.2905 8.3810 8.3810 8.6884 8.6884 9.5563 9.5563 9.7870 9.7870 10.0087 10.0087 10.1527 10.1527 10.1925 10.1925 10.3749 10.3749 10.4576 10.4576 10.7961 10.7961 11.2134 11.2134 12.4976 12.4976 13.1619 13.1619 13.6350 13.6350 14.0394 14.0394 14.3104 14.3104 15.0573 15.0573 15.3077 15.3077 17.4874 17.4874 k = 0.2045 0.1181 0.3340 ( 4638 PWs) bands (ev): -64.2220 -64.2220 -34.0291 -34.0291 -32.8310 -32.8310 -32.8305 -32.8305 2.0344 2.0344 7.3450 7.3450 8.4374 8.4374 8.6837 8.6837 9.5549 9.5549 9.7687 9.7687 10.0242 10.0242 10.1690 10.1690 10.2078 10.2078 10.3860 10.3860 10.4658 10.4658 10.8236 10.8236 11.2172 11.2172 12.5400 12.5400 13.1280 13.1280 13.6278 13.6278 14.0562 14.0562 14.3500 14.3500 15.0980 15.0980 15.3507 15.3507 17.4152 17.4152 k = 0.1977 0.1142 0.3229 ( 4633 PWs) bands (ev): -64.2215 -64.2215 -34.0291 -34.0291 -32.8310 -32.8310 -32.8305 -32.8305 1.9743 1.9743 7.4020 7.4020 8.4885 8.4885 8.6804 8.6804 9.5525 9.5525 9.7503 9.7503 10.0447 10.0447 10.1858 10.1858 10.2240 10.2240 10.3975 10.3975 10.4742 10.4742 10.8530 10.8530 11.2219 11.2219 12.5830 12.5830 13.0959 13.0959 13.6188 13.6188 14.0650 14.0650 14.3912 14.3912 15.1517 15.1517 15.3882 15.3882 17.3472 17.3472 k = 0.1909 0.1102 0.3118 ( 4643 PWs) bands (ev): -64.2225 -64.2225 -34.0291 -34.0291 -32.8310 -32.8310 -32.8305 -32.8305 1.9148 1.9148 7.4610 7.4610 8.5334 8.5334 8.6790 8.6790 9.5488 9.5488 9.7318 9.7318 10.0700 10.0700 10.2029 10.2029 10.2404 10.2404 10.4094 10.4094 10.4826 10.4826 10.8841 10.8841 11.2272 11.2272 12.6243 12.6243 13.0584 13.0584 13.6081 13.6081 14.0582 14.0582 14.4304 14.4304 15.2169 15.2169 15.4145 15.4145 17.2829 17.2829 k = 0.1841 0.1063 0.3006 ( 4643 PWs) bands (ev): -64.2225 -64.2225 -34.0291 -34.0291 -32.8309 -32.8309 -32.8305 -32.8305 1.8560 1.8560 7.5218 7.5218 8.5708 8.5708 8.6807 8.6807 9.5444 9.5444 9.7132 9.7132 10.1005 10.1005 10.2202 10.2202 10.2572 10.2572 10.4216 10.4216 10.4913 10.4913 10.9179 10.9179 11.2338 11.2338 12.6669 12.6669 13.0221 13.0221 13.5998 13.5998 14.0476 14.0476 14.4704 14.4704 15.2919 15.2919 15.4364 15.4364 17.2232 17.2232 k = 0.1773 0.1023 0.2895 ( 4635 PWs) bands (ev): -64.2217 -64.2217 -34.0290 -34.0290 -32.8309 -32.8309 -32.8305 -32.8305 1.7982 1.7982 7.5839 7.5839 8.5991 8.5991 8.6867 8.6867 9.5392 9.5392 9.6947 9.6947 10.1365 10.1365 10.2375 10.2375 10.2744 10.2744 10.4343 10.4343 10.5005 10.5005 10.9549 10.9549 11.2421 11.2421 12.7104 12.7104 12.9871 12.9871 13.5916 13.5916 14.0330 14.0330 14.5130 14.5130 15.3747 15.3747 15.4520 15.4520 17.1688 17.1688 k = 0.1705 0.0984 0.2784 ( 4631 PWs) bands (ev): -64.2213 -64.2213 -34.0290 -34.0290 -32.8308 -32.8308 -32.8304 -32.8304 1.7415 1.7415 7.6470 7.6470 8.6172 8.6172 8.6979 8.6979 9.5332 9.5332 9.6762 9.6762 10.1765 10.1765 10.2549 10.2549 10.2916 10.2916 10.4472 10.4472 10.5104 10.5104 10.9942 10.9942 11.2522 11.2522 12.7534 12.7534 12.9498 12.9498 13.5826 13.5826 14.0135 14.0135 14.5543 14.5543 15.4582 15.4582 15.4629 15.4629 17.1193 17.1193 k = 0.1636 0.0945 0.2672 ( 4631 PWs) bands (ev): -64.2213 -64.2213 -34.0290 -34.0290 -32.8308 -32.8308 -32.8304 -32.8304 1.6861 1.6861 7.7107 7.7107 8.6273 8.6273 8.7124 8.7124 9.5265 9.5265 9.6578 9.6578 10.2184 10.2184 10.2726 10.2726 10.3096 10.3096 10.4602 10.4602 10.5213 10.5213 11.0362 11.0362 11.2639 11.2639 12.7965 12.7965 12.9119 12.9119 13.5731 13.5731 13.9909 13.9909 14.5911 14.5911 15.4568 15.4568 15.5544 15.5544 17.0742 17.0742 k = 0.1568 0.0905 0.2561 ( 4621 PWs) bands (ev): -64.2202 -64.2202 -34.0290 -34.0290 -32.8308 -32.8308 -32.8304 -32.8304 1.6321 1.6321 7.7746 7.7746 8.6328 8.6328 8.7272 8.7272 9.5195 9.5195 9.6397 9.6397 10.2575 10.2575 10.2923 10.2923 10.3309 10.3309 10.4730 10.4730 10.5336 10.5336 11.0817 11.0817 11.2786 11.2786 12.8408 12.8408 12.8750 12.8750 13.5664 13.5664 13.9695 13.9695 14.6272 14.6272 15.4507 15.4507 15.6484 15.6484 17.0350 17.0350 k = 0.1500 0.0866 0.2449 ( 4623 PWs) bands (ev): -64.2204 -64.2204 -34.0290 -34.0290 -32.8307 -32.8307 -32.8304 -32.8304 1.5796 1.5796 7.8384 7.8384 8.6359 8.6359 8.7400 8.7400 9.5120 9.5120 9.6216 9.6216 10.2854 10.2854 10.3138 10.3138 10.3618 10.3618 10.4855 10.4855 10.5479 10.5479 11.1294 11.1294 11.2962 11.2962 12.8335 12.8335 12.8845 12.8845 13.5563 13.5563 13.9476 13.9476 14.6582 14.6582 15.4331 15.4331 15.7414 15.7414 17.0011 17.0011 k = 0.1432 0.0827 0.2338 ( 4623 PWs) bands (ev): -64.2204 -64.2204 -34.0289 -34.0289 -32.8307 -32.8307 -32.8304 -32.8304 1.5288 1.5288 7.9017 7.9017 8.6383 8.6383 8.7500 8.7500 9.5040 9.5040 9.6038 9.6038 10.3037 10.3037 10.3318 10.3318 10.4049 10.4049 10.4977 10.4977 10.5644 10.5644 11.1792 11.1792 11.3179 11.3179 12.7949 12.7949 12.9277 12.9277 13.5449 13.5449 13.9248 13.9248 14.6870 14.6870 15.4114 15.4114 15.8313 15.8313 16.9739 16.9739 k = 0.1364 0.0787 0.2227 ( 4631 PWs) bands (ev): -64.2213 -64.2213 -34.0289 -34.0289 -32.8307 -32.8307 -32.8304 -32.8304 1.4797 1.4797 7.9642 7.9642 8.6402 8.6402 8.7572 8.7572 9.4957 9.4957 9.5862 9.5862 10.3182 10.3182 10.3457 10.3457 10.4514 10.4514 10.5110 10.5110 10.5835 10.5835 11.2304 11.2304 11.3445 11.3445 12.7553 12.7553 12.9689 12.9689 13.5323 13.5323 13.9029 13.9029 14.7099 14.7099 15.3813 15.3813 15.9155 15.9155 16.9526 16.9526 k = 0.1295 0.0748 0.2115 ( 4635 PWs) bands (ev): -64.2217 -64.2217 -34.0289 -34.0289 -32.8307 -32.8307 -32.8304 -32.8304 1.4325 1.4325 8.0255 8.0255 8.6423 8.6423 8.7619 8.7619 9.4873 9.4873 9.5690 9.5690 10.3308 10.3308 10.3571 10.3571 10.4901 10.4901 10.5317 10.5317 10.6056 10.6056 11.2823 11.2823 11.3782 11.3782 12.7160 12.7160 13.0110 13.0110 13.5195 13.5195 13.8835 13.8835 14.7300 14.7300 15.3486 15.3486 15.9911 15.9911 16.9394 16.9394 k = 0.1227 0.0709 0.2004 ( 4627 PWs) bands (ev): -64.2208 -64.2208 -34.0289 -34.0289 -32.8306 -32.8306 -32.8304 -32.8304 1.3873 1.3873 8.0854 8.0854 8.6447 8.6447 8.7642 8.7642 9.4788 9.4788 9.5523 9.5523 10.3421 10.3421 10.3670 10.3670 10.5102 10.5102 10.5674 10.5674 10.6314 10.6314 11.3346 11.3346 11.4209 11.4209 12.6775 12.6775 13.0563 13.0563 13.5100 13.5100 13.8675 13.8675 14.7470 14.7470 15.3164 15.3164 16.0556 16.0556 16.9350 16.9350 k = 0.1159 0.0669 0.1893 ( 4637 PWs) bands (ev): -64.2219 -64.2219 -34.0289 -34.0289 -32.8306 -32.8306 -32.8304 -32.8304 1.3441 1.3441 8.1436 8.1436 8.6471 8.6471 8.7647 8.7647 9.4702 9.4702 9.5358 9.5358 10.3522 10.3522 10.3754 10.3754 10.5206 10.5206 10.6054 10.6054 10.6615 10.6615 11.3850 11.3850 11.4710 11.4710 12.6382 12.6382 13.0972 13.0972 13.4960 13.4960 13.8516 13.8516 14.7554 14.7554 15.2770 15.2770 16.1013 16.1013 16.9371 16.9371 k = 0.1091 0.0630 0.1781 ( 4633 PWs) bands (ev): -64.2215 -64.2215 -34.0289 -34.0289 -32.8306 -32.8306 -32.8304 -32.8304 1.3030 1.3030 8.1998 8.1998 8.6498 8.6498 8.7636 8.7636 9.4616 9.4616 9.5200 9.5200 10.3615 10.3615 10.3829 10.3829 10.5285 10.5285 10.6389 10.6389 10.6958 10.6958 11.4373 11.4373 11.5282 11.5282 12.6011 12.6011 13.1420 13.1420 13.4847 13.4847 13.8405 13.8405 14.7615 14.7615 15.2400 15.2400 16.1258 16.1258 16.9501 16.9501 k = 0.1023 0.0590 0.1670 ( 4633 PWs) bands (ev): -64.2215 -64.2215 -34.0289 -34.0289 -32.8306 -32.8306 -32.8304 -32.8304 1.2641 1.2641 8.2536 8.2536 8.6528 8.6528 8.7613 8.7613 9.4532 9.4532 9.5046 9.5046 10.3698 10.3698 10.3894 10.3894 10.5350 10.5350 10.6681 10.6681 10.7306 10.7306 11.4916 11.4916 11.5904 11.5904 12.5634 12.5634 13.1851 13.1851 13.4780 13.4780 13.8308 13.8308 14.7592 14.7592 15.2008 15.2008 16.1270 16.1270 16.9701 16.9701 k = 0.0955 0.0551 0.1559 ( 4631 PWs) bands (ev): -64.2213 -64.2213 -34.0289 -34.0289 -32.8306 -32.8306 -32.8303 -32.8303 1.2275 1.2275 8.3049 8.3049 8.6561 8.6561 8.7583 8.7583 9.4449 9.4449 9.4900 9.4900 10.3774 10.3774 10.3949 10.3949 10.5407 10.5407 10.6951 10.6951 10.7634 10.7634 11.5497 11.5497 11.6540 11.6540 12.5266 12.5266 13.2308 13.2308 13.4723 13.4723 13.8237 13.8237 14.7517 14.7517 15.1635 15.1635 16.1016 16.1016 16.9988 16.9988 k = 0.0886 0.0512 0.1447 ( 4627 PWs) bands (ev): -64.2209 -64.2209 -34.0288 -34.0288 -32.8305 -32.8305 -32.8303 -32.8303 1.1931 1.1931 8.3533 8.3533 8.6595 8.6595 8.7546 8.7546 9.4369 9.4369 9.4759 9.4759 10.3842 10.3842 10.3998 10.3998 10.5458 10.5458 10.7208 10.7208 10.7925 10.7925 11.6107 11.6107 11.7199 11.7199 12.4906 12.4906 13.2751 13.2751 13.4742 13.4742 13.8193 13.8193 14.7372 14.7372 15.1255 15.1255 16.0536 16.0536 17.0343 17.0343 k = 0.0818 0.0472 0.1336 ( 4627 PWs) bands (ev): -64.2209 -64.2209 -34.0288 -34.0288 -32.8305 -32.8305 -32.8303 -32.8303 1.1611 1.1611 8.3987 8.3987 8.6631 8.6631 8.7507 8.7507 9.4290 9.4290 9.4624 9.4624 10.3904 10.3904 10.4041 10.4041 10.5504 10.5504 10.7456 10.7456 10.8178 10.8178 11.6752 11.6752 11.7857 11.7857 12.4559 12.4559 13.3148 13.3148 13.4794 13.4794 13.8160 13.8160 14.7170 14.7170 15.0865 15.0865 15.9844 15.9844 17.0779 17.0779 k = 0.0750 0.0433 0.1225 ( 4631 PWs) bands (ev): -64.2213 -64.2213 -34.0288 -34.0288 -32.8304 -32.8304 -32.8304 -32.8304 1.1316 1.1316 8.4406 8.4406 8.6668 8.6668 8.7467 8.7467 9.4216 9.4216 9.4497 9.4497 10.3957 10.3957 10.4075 10.4075 10.5543 10.5543 10.7695 10.7695 10.8392 10.8392 11.7402 11.7402 11.8499 11.8499 12.4183 12.4183 13.3551 13.3551 13.4919 13.4919 13.8162 13.8162 14.6909 14.6909 15.0493 15.0493 15.8977 15.8977 17.1264 17.1264 k = 0.0682 0.0394 0.1113 ( 4623 PWs) bands (ev): -64.2205 -64.2205 -34.0288 -34.0288 -32.8304 -32.8304 -32.8304 -32.8304 1.1044 1.1044 8.4789 8.4789 8.6709 8.6709 8.7428 8.7428 9.4145 9.4145 9.4378 9.4378 10.4007 10.4007 10.4107 10.4107 10.5581 10.5581 10.7926 10.7926 10.8572 10.8572 11.8065 11.8065 11.9131 11.9131 12.3863 12.3863 13.3964 13.3964 13.5109 13.5109 13.8207 13.8207 14.6613 14.6613 15.0143 15.0143 15.7980 15.7980 17.1817 17.1817 k = 0.0614 0.0354 0.1002 ( 4629 PWs) bands (ev): -64.2212 -64.2212 -34.0288 -34.0288 -32.8304 -32.8304 -32.8304 -32.8304 1.0798 1.0798 8.5133 8.5133 8.6753 8.6753 8.7392 8.7392 9.4079 9.4079 9.4267 9.4267 10.4050 10.4050 10.4132 10.4132 10.5612 10.5612 10.8146 10.8146 10.8722 10.8722 11.8696 11.8696 11.9696 11.9696 12.3560 12.3560 13.4334 13.4334 13.5310 13.5310 13.8292 13.8292 14.6272 14.6272 14.9796 14.9796 15.6870 15.6870 17.2397 17.2397 k = 0.0545 0.0315 0.0891 ( 4635 PWs) bands (ev): -64.2219 -64.2219 -34.0288 -34.0288 -32.8304 -32.8304 -32.8304 -32.8304 1.0576 1.0576 8.5432 8.5432 8.6803 8.6803 8.7360 8.7360 9.4017 9.4017 9.4165 9.4165 10.4087 10.4087 10.4153 10.4153 10.5640 10.5640 10.8353 10.8353 10.8847 10.8847 11.9314 11.9314 12.0198 12.0198 12.3278 12.3278 13.4703 13.4703 13.5537 13.5537 13.8435 13.8435 14.5916 14.5916 14.9474 14.9474 15.5690 15.5690 17.3028 17.3028 k = 0.0477 0.0276 0.0779 ( 4629 PWs) bands (ev): -64.2213 -64.2213 -34.0288 -34.0288 -32.8304 -32.8304 -32.8303 -32.8303 1.0380 1.0380 8.5685 8.5685 8.6861 8.6861 8.7333 8.7333 9.3961 9.3961 9.4075 9.4075 10.4120 10.4120 10.4172 10.4172 10.5665 10.5665 10.8544 10.8544 10.8949 10.8949 11.9918 11.9918 12.0663 12.0663 12.3024 12.3024 13.5100 13.5100 13.5805 13.5805 13.8666 13.8666 14.5556 14.5556 14.9180 14.9180 15.4476 15.4476 17.3705 17.3705 k = 0.0409 0.0236 0.0668 ( 4629 PWs) bands (ev): -64.2213 -64.2213 -34.0288 -34.0288 -32.8304 -32.8304 -32.8303 -32.8303 1.0210 1.0210 8.5887 8.5887 8.6928 8.6928 8.7311 8.7311 9.3911 9.3911 9.3995 9.3995 10.4148 10.4148 10.4187 10.4187 10.5687 10.5687 10.8717 10.8717 10.9032 10.9032 12.0463 12.0463 12.1063 12.1063 12.2793 12.2793 13.5454 13.5454 13.6049 13.6049 13.8994 13.8994 14.5188 14.5188 14.8906 14.8906 15.3245 15.3245 17.4387 17.4387 k = 0.0341 0.0197 0.0557 ( 4623 PWs) bands (ev): -64.2207 -64.2207 -34.0288 -34.0288 -32.8303 -32.8303 -32.8303 -32.8303 1.0065 1.0065 8.6039 8.6039 8.7004 8.7004 8.7295 8.7295 9.3867 9.3867 9.3926 9.3926 10.4173 10.4173 10.4201 10.4201 10.5706 10.5706 10.8870 10.8870 10.9099 10.9099 12.0965 12.0965 12.1412 12.1412 12.2592 12.2592 13.5801 13.5801 13.6266 13.6266 13.9444 13.9444 14.4828 14.4828 14.8663 14.8663 15.2031 15.2031 17.5073 17.5073 k = 0.0273 0.0157 0.0445 ( 4633 PWs) bands (ev): -64.2218 -64.2218 -34.0288 -34.0288 -32.8304 -32.8304 -32.8303 -32.8303 0.9946 0.9946 8.6147 8.6147 8.7082 8.7082 8.7283 8.7283 9.3830 9.3830 9.3867 9.3867 10.4191 10.4191 10.4209 10.4209 10.5719 10.5719 10.8999 10.8999 10.9151 10.9151 12.1349 12.1349 12.1665 12.1665 12.2409 12.2409 13.6077 13.6077 13.6415 13.6415 14.0009 14.0009 14.4472 14.4472 14.8449 14.8449 15.0862 15.0862 17.5707 17.5707 k = 0.0205 0.0118 0.0334 ( 4639 PWs) bands (ev): -64.2224 -64.2224 -34.0288 -34.0288 -32.8304 -32.8304 -32.8304 -32.8304 0.9854 0.9854 8.6219 8.6219 8.7156 8.7156 8.7274 8.7274 9.3801 9.3801 9.3822 9.3822 10.4205 10.4205 10.4215 10.4215 10.5729 10.5729 10.9102 10.9102 10.9190 10.9190 12.1667 12.1667 12.1849 12.1849 12.2273 12.2273 13.6312 13.6312 13.6520 13.6520 14.0676 14.0676 14.4122 14.4122 14.8278 14.8278 14.9793 14.9793 17.6293 17.6293 k = 0.0136 0.0079 0.0223 ( 4641 PWs) bands (ev): -64.2227 -64.2227 -34.0288 -34.0288 -32.8304 -32.8304 -32.8304 -32.8304 0.9788 0.9788 8.6263 8.6263 8.7215 8.7215 8.7269 8.7269 9.3779 9.3779 9.3789 9.3789 10.4215 10.4215 10.4219 10.4219 10.5737 10.5737 10.9177 10.9177 10.9218 10.9218 12.1902 12.1902 12.1991 12.1991 12.2175 12.2175 13.6495 13.6495 13.6585 13.6585 14.1396 14.1396 14.3758 14.3758 14.8153 14.8153 14.8895 14.8895 17.6782 17.6782 k = 0.0068 0.0039 0.0111 ( 4645 PWs) bands (ev): -64.2231 -64.2231 -34.0288 -34.0288 -32.8304 -32.8304 -32.8304 -32.8304 0.9748 0.9748 8.6286 8.6286 8.7253 8.7253 8.7266 8.7266 9.3766 9.3766 9.3768 9.3768 10.4221 10.4221 10.4222 10.4222 10.5741 10.5741 10.9223 10.9223 10.9234 10.9234 12.2042 12.2042 12.2066 12.2066 12.2114 12.2114 13.6595 13.6595 13.6620 13.6620 14.2107 14.2107 14.3340 14.3340 14.8076 14.8076 14.8275 14.8275 17.7113 17.7113 k = 0.0000 0.0000 0.0000 ( 4645 PWs) bands (ev): -64.2231 -64.2231 -34.0288 -34.0288 -32.8304 -32.8304 -32.8304 -32.8304 0.9735 0.9735 8.6294 8.6294 8.7266 8.7266 8.7266 8.7266 9.3762 9.3762 9.3762 9.3762 10.4223 10.4223 10.4223 10.4223 10.5743 10.5743 10.9239 10.9239 10.9239 10.9239 12.2090 12.2090 12.2090 12.2090 12.2100 12.2100 13.6634 13.6634 13.6634 13.6634 14.2615 14.2615 14.2948 14.2948 14.8050 14.8050 14.8050 14.8050 17.7232 17.7232 k = 0.0000 0.0000 0.0000 ( 4645 PWs) bands (ev): -64.2231 -64.2231 -34.0288 -34.0288 -32.8304 -32.8304 -32.8304 -32.8304 0.9735 0.9735 8.6294 8.6294 8.7266 8.7266 8.7266 8.7266 9.3762 9.3762 9.3762 9.3762 10.4223 10.4223 10.4223 10.4223 10.5743 10.5743 10.9239 10.9239 10.9239 10.9239 12.2090 12.2090 12.2090 12.2090 12.2100 12.2100 13.6634 13.6634 13.6634 13.6634 14.2615 14.2615 14.2948 14.2948 14.8050 14.8050 14.8050 14.8050 17.7232 17.7232 k = 0.0111 0.0064 0.0045 ( 4645 PWs) bands (ev): -64.2231 -64.2231 -34.0288 -34.0288 -32.8304 -32.8304 -32.8304 -32.8304 0.9748 0.9748 8.6286 8.6286 8.7254 8.7254 8.7265 8.7265 9.3767 9.3767 9.3767 9.3767 10.4221 10.4221 10.4222 10.4222 10.5741 10.5741 10.9228 10.9228 10.9229 10.9229 12.2027 12.2027 12.2094 12.2094 12.2101 12.2101 13.6602 13.6602 13.6614 13.6614 14.2107 14.2107 14.3340 14.3340 14.8078 14.8078 14.8271 14.8271 17.7113 17.7113 k = 0.0222 0.0128 0.0091 ( 4642 PWs) bands (ev): -64.2228 -64.2228 -34.0288 -34.0288 -32.8304 -32.8304 -32.8304 -32.8304 0.9788 0.9788 8.6263 8.6263 8.7219 8.7219 8.7264 8.7264 9.3783 9.3783 9.3785 9.3785 10.4215 10.4215 10.4219 10.4219 10.5737 10.5737 10.9194 10.9194 10.9201 10.9201 12.1844 12.1844 12.2107 12.2107 12.2113 12.2113 13.6517 13.6517 13.6562 13.6562 14.1389 14.1389 14.3764 14.3764 14.8163 14.8163 14.8880 14.8880 17.6778 17.6778 k = 0.0333 0.0192 0.0136 ( 4636 PWs) bands (ev): -64.2221 -64.2221 -34.0288 -34.0288 -32.8304 -32.8304 -32.8303 -32.8303 0.9853 0.9853 8.6221 8.6221 8.7166 8.7166 8.7262 8.7262 9.3810 9.3810 9.3814 9.3814 10.4206 10.4206 10.4214 10.4214 10.5730 10.5730 10.9138 10.9138 10.9155 10.9155 12.1516 12.1516 12.2143 12.2143 12.2147 12.2147 13.6387 13.6387 13.6482 13.6482 14.0644 14.0644 14.4145 14.4145 14.8301 14.8301 14.9757 14.9757 17.6272 17.6272 k = 0.0444 0.0257 0.0181 ( 4630 PWs) bands (ev): -64.2215 -64.2215 -34.0288 -34.0288 -32.8303 -32.8303 -32.8303 -32.8303 0.9946 0.9946 8.6155 8.6155 8.7097 8.7097 8.7259 8.7259 9.3846 9.3846 9.3853 9.3853 10.4192 10.4192 10.4208 10.4208 10.5719 10.5719 10.9061 10.9061 10.9091 10.9091 12.1095 12.1095 12.2171 12.2171 12.2174 12.2174 13.6206 13.6206 13.6362 13.6362 13.9925 13.9925 14.4520 14.4520 14.8489 14.8489 15.0798 15.0798 17.5661 17.5661 k = 0.0556 0.0321 0.0227 ( 4633 PWs) bands (ev): -64.2218 -64.2218 -34.0288 -34.0288 -32.8304 -32.8304 -32.8303 -32.8303 1.0063 1.0063 8.6057 8.6057 8.7022 8.7022 8.7255 8.7255 9.3891 9.3891 9.3902 9.3902 10.4173 10.4173 10.4197 10.4197 10.5704 10.5704 10.8962 10.8962 10.9009 10.9009 12.0497 12.0497 12.2203 12.2203 12.2203 12.2203 13.5986 13.5986 13.6206 13.6206 13.9261 13.9261 14.4909 14.4909 14.8721 14.8721 15.1918 15.1918 17.4954 17.4954 k = 0.0667 0.0385 0.0272 ( 4630 PWs) bands (ev): -64.2214 -64.2214 -34.0288 -34.0288 -32.8304 -32.8304 -32.8303 -32.8303 1.0208 1.0208 8.5919 8.5919 8.6949 8.6949 8.7252 8.7252 9.3946 9.3946 9.3963 9.3963 10.4152 10.4152 10.4184 10.4184 10.5687 10.5687 10.8844 10.8844 10.8911 10.8911 11.9806 11.9806 12.2248 12.2248 12.2251 12.2251 13.5752 13.5752 13.6034 13.6034 13.8670 13.8670 14.5321 14.5321 14.8991 14.8991 15.3072 15.3072 17.4221 17.4221 k = 0.0778 0.0449 0.0318 ( 4630 PWs) bands (ev): -64.2214 -64.2214 -34.0288 -34.0288 -32.8304 -32.8304 -32.8303 -32.8303 1.0377 1.0377 8.5735 8.5735 8.6883 8.6883 8.7248 8.7248 9.4010 9.4010 9.4032 9.4032 10.4126 10.4126 10.4168 10.4168 10.5667 10.5667 10.8707 10.8707 10.8798 10.8798 11.9016 11.9016 12.2301 12.2301 12.2308 12.2308 13.5483 13.5483 13.5818 13.5818 13.8157 13.8157 14.5753 14.5753 14.9292 14.9292 15.4213 15.4213 17.3490 17.3490 k = 0.0889 0.0513 0.0363 ( 4627 PWs) bands (ev): -64.2210 -64.2210 -34.0288 -34.0288 -32.8304 -32.8304 -32.8303 -32.8303 1.0573 1.0573 8.5500 8.5500 8.6829 8.6829 8.7243 8.7243 9.4083 9.4083 9.4112 9.4112 10.4096 10.4096 10.4149 10.4149 10.5643 10.5643 10.8552 10.8552 10.8669 10.8669 11.8160 11.8160 12.2340 12.2340 12.2352 12.2352 13.5240 13.5240 13.5619 13.5619 13.7724 13.7724 14.6206 14.6206 14.9621 14.9621 15.5313 15.5313 17.2815 17.2815 k = 0.1000 0.0577 0.0408 ( 4627 PWs) bands (ev): -64.2210 -64.2210 -34.0288 -34.0288 -32.8304 -32.8304 -32.8303 -32.8303 1.0793 1.0793 8.5214 8.5214 8.6786 8.6786 8.7240 8.7240 9.4165 9.4165 9.4201 9.4201 10.4061 10.4061 10.4125 10.4125 10.5615 10.5615 10.8380 10.8380 10.8527 10.8527 11.7216 11.7216 12.2379 12.2379 12.2397 12.2397 13.5003 13.5003 13.5416 13.5416 13.7362 13.7362 14.6674 14.6674 14.9972 14.9972 15.6314 15.6314 17.2212 17.2212 k = 0.1111 0.0642 0.0454 ( 4621 PWs) bands (ev): -64.2203 -64.2203 -34.0288 -34.0288 -32.8304 -32.8304 -32.8303 -32.8303 1.1039 1.1039 8.4879 8.4879 8.6752 8.6752 8.7236 8.7236 9.4255 9.4255 9.4299 9.4299 10.4023 10.4023 10.4097 10.4097 10.5584 10.5584 10.8192 10.8192 10.8372 10.8372 11.6234 11.6234 12.2421 12.2421 12.2446 12.2446 13.4795 13.4795 13.5233 13.5233 13.7069 13.7069 14.7156 14.7156 15.0341 15.0341 15.7181 15.7181 17.1755 17.1755 k = 0.1222 0.0706 0.0499 ( 4618 PWs) bands (ev): -64.2199 -64.2199 -34.0288 -34.0288 -32.8304 -32.8304 -32.8303 -32.8303 1.1309 1.1309 8.4495 8.4495 8.6726 8.6726 8.7234 8.7234 9.4352 9.4352 9.4405 9.4405 10.3981 10.3981 10.4063 10.4063 10.5548 10.5548 10.7989 10.7989 10.8206 10.8206 11.5190 11.5190 12.2465 12.2465 12.2497 12.2497 13.4611 13.4611 13.5066 13.5066 13.6825 13.6825 14.7648 14.7648 15.0724 15.0724 15.7826 15.7826 17.1472 17.1472 k = 0.1333 0.0770 0.0544 ( 4633 PWs) bands (ev): -64.2215 -64.2215 -34.0288 -34.0288 -32.8305 -32.8305 -32.8304 -32.8304 1.1603 1.1603 8.4064 8.4064 8.6706 8.6706 8.7231 8.7231 9.4455 9.4455 9.4517 9.4517 10.3931 10.3931 10.4022 10.4022 10.5505 10.5505 10.7772 10.7772 10.8029 10.8029 11.4137 11.4137 12.2474 12.2474 12.2512 12.2512 13.4381 13.4381 13.4838 13.4838 13.6630 13.6630 14.8121 14.8121 15.1096 15.1096 15.8225 15.8225 17.1447 17.1447 k = 0.1444 0.0834 0.0590 ( 4645 PWs) bands (ev): -64.2227 -64.2227 -34.0289 -34.0289 -32.8306 -32.8306 -32.8304 -32.8304 1.1921 1.1921 8.3586 8.3586 8.6691 8.6691 8.7230 8.7230 9.4564 9.4564 9.4637 9.4637 10.3878 10.3878 10.3975 10.3975 10.5458 10.5458 10.7541 10.7541 10.7842 10.7842 11.3074 11.3074 12.2494 12.2494 12.2540 12.2540 13.4175 13.4175 13.4629 13.4629 13.6475 13.6475 14.8603 14.8603 15.1481 15.1481 15.8321 15.8321 17.1707 17.1707 k = 0.1556 0.0898 0.0635 ( 4645 PWs) bands (ev): -64.2227 -64.2227 -34.0289 -34.0289 -32.8306 -32.8306 -32.8304 -32.8304 1.2263 1.2263 8.3062 8.3062 8.6680 8.6680 8.7231 8.7231 9.4681 9.4681 9.4764 9.4764 10.3822 10.3822 10.3922 10.3922 10.5407 10.5407 10.7298 10.7298 10.7648 10.7648 11.2044 11.2044 12.2509 12.2509 12.2564 12.2564 13.4032 13.4032 13.4482 13.4482 13.6366 13.6366 14.9097 14.9097 15.1877 15.1877 15.8170 15.8170 17.2255 17.2255 k = 0.1667 0.0962 0.0680 ( 4651 PWs) bands (ev): -64.2233 -64.2233 -34.0289 -34.0289 -32.8306 -32.8306 -32.8304 -32.8304 1.2627 1.2627 8.2490 8.2490 8.6672 8.6672 8.7232 8.7232 9.4802 9.4802 9.4897 9.4897 10.3761 10.3761 10.3861 10.3861 10.5349 10.5349 10.7042 10.7042 10.7448 10.7448 11.1044 11.1044 12.2521 12.2521 12.2585 12.2585 13.3880 13.3880 13.4318 13.4318 13.6286 13.6286 14.9570 14.9570 15.2259 15.2259 15.7783 15.7783 17.3042 17.3042 k = 0.1778 0.1026 0.0726 ( 4645 PWs) bands (ev): -64.2227 -64.2227 -34.0289 -34.0289 -32.8306 -32.8306 -32.8304 -32.8304 1.3014 1.3014 8.1872 8.1872 8.6668 8.6668 8.7235 8.7235 9.4929 9.4929 9.5036 9.5036 10.3697 10.3697 10.3792 10.3792 10.5284 10.5284 10.6770 10.6770 10.7242 10.7242 11.0107 11.0107 12.2527 12.2527 12.2599 12.2599 13.3790 13.3790 13.4215 13.4215 13.6244 13.6244 15.0045 15.0045 15.2644 15.2644 15.7257 15.7257 17.4005 17.4005 k = 0.1889 0.1091 0.0771 ( 4645 PWs) bands (ev): -64.2227 -64.2227 -34.0289 -34.0289 -32.8307 -32.8307 -32.8304 -32.8304 1.3422 1.3422 8.1208 8.1208 8.6667 8.6667 8.7240 8.7240 9.5061 9.5061 9.5181 9.5181 10.3627 10.3627 10.3712 10.3712 10.5209 10.5209 10.6480 10.6480 10.7032 10.7032 10.9219 10.9219 12.2524 12.2524 12.2604 12.2604 13.3702 13.3702 13.4113 13.4113 13.6218 13.6218 15.0517 15.0517 15.3029 15.3029 15.6576 15.6576 17.5002 17.5002 k = 0.2000 0.1155 0.0816 ( 4624 PWs) bands (ev): -64.2204 -64.2204 -34.0289 -34.0289 -32.8306 -32.8306 -32.8303 -32.8303 1.3852 1.3852 8.0499 8.0499 8.6670 8.6670 8.7248 8.7248 9.5199 9.5199 9.5331 9.5331 10.3555 10.3555 10.3620 10.3620 10.5125 10.5125 10.6165 10.6165 10.6820 10.6820 10.8424 10.8424 12.2530 12.2530 12.2618 12.2618 13.3709 13.3709 13.4105 13.4105 13.6222 13.6222 15.0995 15.0995 15.3422 15.3422 15.5845 15.5845 17.5422 17.5422 k = 0.2111 0.1219 0.0862 ( 4648 PWs) bands (ev): -64.2230 -64.2230 -34.0290 -34.0290 -32.8308 -32.8308 -32.8304 -32.8304 1.4300 1.4300 7.9744 7.9744 8.6673 8.6673 8.7255 8.7255 9.5337 9.5337 9.5482 9.5482 10.3474 10.3474 10.3510 10.3510 10.5020 10.5020 10.5812 10.5812 10.6604 10.6604 10.7699 10.7699 12.2484 12.2484 12.2576 12.2576 13.3618 13.3618 13.3994 13.3994 13.6201 13.6201 15.1407 15.1407 15.3759 15.3759 15.4969 15.4969 17.4919 17.4919 k = 0.2222 0.1283 0.0907 ( 4642 PWs) bands (ev): -64.2224 -64.2224 -34.0290 -34.0290 -32.8308 -32.8308 -32.8304 -32.8304 1.4768 1.4768 7.8947 7.8947 8.6680 8.6680 8.7266 8.7266 9.5481 9.5481 9.5639 9.5639 10.3379 10.3379 10.3391 10.3391 10.4891 10.4891 10.5432 10.5432 10.6388 10.6388 10.7118 10.7118 12.2451 12.2451 12.2547 12.2547 13.3647 13.3647 13.4007 13.4007 13.6213 13.6213 15.1831 15.1831 15.4114 15.4114 15.4122 15.4122 17.4244 17.4244 k = 0.2333 0.1347 0.0953 ( 4642 PWs) bands (ev): -64.2224 -64.2224 -34.0290 -34.0290 -32.8308 -32.8308 -32.8304 -32.8304 1.5254 1.5254 7.8110 7.8110 8.6690 8.6690 8.7278 8.7278 9.5627 9.5627 9.5798 9.5798 10.3215 10.3215 10.3303 10.3303 10.4704 10.4704 10.5064 10.5064 10.6173 10.6173 10.6656 10.6656 12.2409 12.2409 12.2508 12.2508 13.3680 13.3680 13.4023 13.4023 13.6228 13.6228 15.2201 15.2201 15.3274 15.3274 15.4452 15.4452 17.3517 17.3517 k = 0.2444 0.1411 0.0998 ( 4630 PWs) bands (ev): -64.2212 -64.2212 -34.0290 -34.0290 -32.8308 -32.8308 -32.8304 -32.8304 1.5757 1.5757 7.7237 7.7237 8.6703 8.6703 8.7294 8.7294 9.5777 9.5777 9.5961 9.5961 10.3003 10.3003 10.3212 10.3212 10.4412 10.4412 10.4796 10.4796 10.5959 10.5959 10.6298 10.6298 12.2369 12.2369 12.2468 12.2468 13.3787 13.3787 13.4116 13.4116 13.6249 13.6249 15.2142 15.2142 15.2853 15.2853 15.4793 15.4793 17.2788 17.2788 k = 0.2556 0.1475 0.1043 ( 4633 PWs) bands (ev): -64.2215 -64.2215 -34.0290 -34.0290 -32.8308 -32.8308 -32.8304 -32.8304 1.6275 1.6275 7.6330 7.6330 8.6718 8.6718 8.7309 8.7309 9.5927 9.5927 9.6124 9.6124 10.2729 10.2729 10.3115 10.3115 10.4084 10.4084 10.4596 10.4596 10.5748 10.5748 10.6012 10.6012 12.2312 12.2312 12.2410 12.2410 13.3868 13.3868 13.4183 13.4183 13.6261 13.6261 15.1323 15.1323 15.3139 15.3139 15.5107 15.5107 17.2035 17.2035 k = 0.2667 0.1540 0.1089 ( 4633 PWs) bands (ev): -64.2215 -64.2215 -34.0290 -34.0290 -32.8309 -32.8309 -32.8304 -32.8304 1.6808 1.6808 7.5396 7.5396 8.6733 8.6733 8.7326 8.7326 9.6079 9.6079 9.6288 9.6288 10.2398 10.2398 10.3014 10.3014 10.3807 10.3807 10.4407 10.4407 10.5540 10.5540 10.5782 10.5782 12.2248 12.2248 12.2342 12.2342 13.3981 13.3981 13.4282 13.4282 13.6286 13.6286 15.0458 15.0458 15.3474 15.3474 15.5394 15.5394 17.1286 17.1286 k = 0.2778 0.1604 0.1134 ( 4633 PWs) bands (ev): -64.2215 -64.2215 -34.0290 -34.0290 -32.8309 -32.8309 -32.8304 -32.8304 1.7352 1.7352 7.4438 7.4438 8.6751 8.6751 8.7344 8.7344 9.6232 9.6232 9.6453 9.6453 10.2033 10.2033 10.2908 10.2908 10.3584 10.3584 10.4212 10.4212 10.5336 10.5336 10.5589 10.5589 12.2180 12.2180 12.2269 12.2269 13.4105 13.4105 13.4396 13.4396 13.6314 13.6314 14.9597 14.9597 15.3820 15.3820 15.5682 15.5682 17.0534 17.0534 k = 0.2889 0.1668 0.1179 ( 4633 PWs) bands (ev): -64.2215 -64.2215 -34.0290 -34.0290 -32.8309 -32.8309 -32.8304 -32.8304 1.7908 1.7908 7.3462 7.3462 8.6771 8.6771 8.7365 8.7365 9.6387 9.6387 9.6619 9.6619 10.1662 10.1662 10.2798 10.2798 10.3400 10.3400 10.4009 10.4009 10.5138 10.5138 10.5421 10.5421 12.2111 12.2111 12.2194 12.2194 13.4251 13.4251 13.4533 13.4533 13.6334 13.6334 14.8742 14.8742 15.4160 15.4160 15.5963 15.5963 16.9790 16.9790 k = 0.3000 0.1732 0.1225 ( 4621 PWs) bands (ev): -64.2203 -64.2203 -34.0290 -34.0290 -32.8310 -32.8310 -32.8303 -32.8303 1.8472 1.8472 7.2475 7.2475 8.6793 8.6793 8.7387 8.7387 9.6542 9.6542 9.6785 9.6785 10.1310 10.1310 10.2687 10.2687 10.3240 10.3240 10.3803 10.3803 10.4947 10.4947 10.5273 10.5273 12.2055 12.2055 12.2131 12.2131 13.4429 13.4429 13.4705 13.4705 13.6374 13.6374 14.7936 14.7936 15.4510 15.4510 15.6256 15.6256 16.9059 16.9059 k = 0.3111 0.1796 0.1270 ( 4615 PWs) bands (ev): -64.2197 -64.2197 -34.0290 -34.0290 -32.8310 -32.8310 -32.8303 -32.8303 1.9042 1.9042 7.1482 7.1482 8.6818 8.6818 8.7411 8.7411 9.6698 9.6698 9.6949 9.6949 10.0985 10.0985 10.2568 10.2568 10.3092 10.3092 10.3593 10.3593 10.4762 10.4762 10.5136 10.5136 12.1982 12.1982 12.2050 12.2050 13.4620 13.4620 13.4892 13.4892 13.6404 13.6404 14.7149 14.7149 15.4836 15.4836 15.6526 15.6526 16.8339 16.8339 k = 0.3222 0.1860 0.1315 ( 4615 PWs) bands (ev): -64.2197 -64.2197 -34.0290 -34.0290 -32.8310 -32.8310 -32.8303 -32.8303 1.9616 1.9616 7.0490 7.0490 8.6841 8.6841 8.7434 8.7434 9.6853 9.6853 9.7110 9.7110 10.0694 10.0694 10.2446 10.2446 10.2950 10.2950 10.3382 10.3382 10.4585 10.4585 10.5008 10.5008 12.1905 12.1905 12.1961 12.1961 13.4802 13.4802 13.5073 13.5073 13.6432 13.6432 14.6394 14.6394 15.5125 15.5125 15.6765 15.6765 16.7629 16.7629 k = 0.3333 0.1925 0.1361 ( 4609 PWs) bands (ev): -64.2190 -64.2190 -34.0290 -34.0290 -32.8310 -32.8310 -32.8303 -32.8303 2.0191 2.0191 6.9506 6.9506 8.6866 8.6866 8.7458 8.7458 9.7008 9.7008 9.7267 9.7267 10.0446 10.0446 10.2320 10.2320 10.2814 10.2814 10.3174 10.3174 10.4416 10.4416 10.4888 10.4888 12.1828 12.1828 12.1873 12.1873 13.4997 13.4997 13.5267 13.5267 13.6490 13.6490 14.5710 14.5710 15.5399 15.5399 15.6993 15.6993 16.6939 16.6939 k = 0.3444 0.1989 0.1406 ( 4609 PWs) bands (ev): -64.2190 -64.2190 -34.0290 -34.0290 -32.8310 -32.8310 -32.8303 -32.8303 2.0763 2.0763 6.8535 6.8535 8.6891 8.6891 8.7481 8.7481 9.7162 9.7162 9.7420 9.7420 10.0229 10.0229 10.2192 10.2192 10.2678 10.2678 10.2970 10.2970 10.4256 10.4256 10.4770 10.4770 12.1753 12.1753 12.1786 12.1786 13.5193 13.5193 13.5467 13.5467 13.6520 13.6520 14.5026 14.5026 15.5658 15.5658 15.7210 15.7210 16.6267 16.6267 k = 0.3556 0.2053 0.1452 ( 4606 PWs) bands (ev): -64.2187 -64.2187 -34.0290 -34.0290 -32.8310 -32.8310 -32.8303 -32.8303 2.1329 2.1329 6.7585 6.7585 8.6916 8.6916 8.7505 8.7505 9.7314 9.7314 9.7566 9.7566 10.0051 10.0051 10.2061 10.2061 10.2544 10.2544 10.2772 10.2772 10.4106 10.4106 10.4656 10.4656 12.1680 12.1680 12.1701 12.1701 13.5400 13.5400 13.5680 13.5680 13.6562 13.6562 14.4391 14.4391 15.5903 15.5903 15.7418 15.7418 16.5620 16.5620 k = 0.3667 0.2117 0.1497 ( 4618 PWs) bands (ev): -64.2199 -64.2199 -34.0291 -34.0291 -32.8311 -32.8311 -32.8303 -32.8303 2.1886 2.1886 6.6661 6.6661 8.6940 8.6940 8.7528 8.7528 9.7464 9.7464 9.7703 9.7703 9.9907 9.9907 10.1925 10.1925 10.2410 10.2410 10.2578 10.2578 10.3965 10.3965 10.4545 10.4545 12.1595 12.1595 12.1602 12.1602 13.5567 13.5567 13.5858 13.5858 13.6580 13.6580 14.3777 14.3777 15.6103 15.6103 15.7586 15.7586 16.4996 16.4996 k = 0.3778 0.2181 0.1542 ( 4630 PWs) bands (ev): -64.2212 -64.2212 -34.0291 -34.0291 -32.8311 -32.8311 -32.8304 -32.8304 2.2429 2.2429 6.5772 6.5772 8.6961 8.6961 8.7548 8.7548 9.7611 9.7611 9.7828 9.7828 9.9802 9.9802 10.1790 10.1790 10.2273 10.2273 10.2398 10.2398 10.3835 10.3835 10.4437 10.4437 12.1506 12.1506 12.1513 12.1513 13.5737 13.5737 13.6045 13.6045 13.6603 13.6603 14.3209 14.3209 15.6272 15.6272 15.7732 15.7732 16.4398 16.4398 k = 0.3889 0.2245 0.1588 ( 4633 PWs) bands (ev): -64.2215 -64.2215 -34.0291 -34.0291 -32.8312 -32.8312 -32.8304 -32.8304 2.2952 2.2952 6.4924 6.4924 8.6984 8.6984 8.7570 8.7570 9.7756 9.7756 9.7941 9.7941 9.9736 9.9736 10.1657 10.1657 10.2130 10.2130 10.2235 10.2235 10.3715 10.3715 10.4334 10.4334 12.1429 12.1429 12.1448 12.1448 13.5905 13.5905 13.6240 13.6240 13.6640 13.6640 14.2692 14.2692 15.6468 15.6468 15.7909 15.7909 16.3833 16.3833 k = 0.4000 0.2309 0.1633 ( 4630 PWs) bands (ev): -64.2212 -64.2212 -34.0291 -34.0291 -32.8312 -32.8312 -32.8304 -32.8304 2.3452 2.3452 6.4126 6.4126 8.7008 8.7008 8.7591 8.7591 9.7897 9.7897 9.8039 9.8039 9.9706 9.9706 10.1526 10.1526 10.1976 10.1976 10.2094 10.2094 10.3606 10.3606 10.4236 10.4236 12.1363 12.1363 12.1392 12.1392 13.6066 13.6066 13.6444 13.6444 13.6698 13.6698 14.2222 14.2222 15.6671 15.6671 15.8098 15.8098 16.3303 16.3303 k = 0.4111 0.2374 0.1678 ( 4636 PWs) bands (ev): -64.2218 -64.2218 -34.0291 -34.0291 -32.8312 -32.8312 -32.8304 -32.8304 2.3921 2.3921 6.3383 6.3383 8.7028 8.7028 8.7610 8.7610 9.8033 9.8033 9.8121 9.8121 9.9711 9.9711 10.1397 10.1397 10.1816 10.1816 10.1971 10.1971 10.3508 10.3508 10.4143 10.4143 12.1299 12.1299 12.1339 12.1339 13.6167 13.6167 13.6602 13.6602 13.6755 13.6755 14.1795 14.1795 15.6848 15.6848 15.8269 15.8269 16.2804 16.2804 k = 0.4222 0.2438 0.1724 ( 4624 PWs) bands (ev): -64.2205 -64.2205 -34.0291 -34.0291 -32.8312 -32.8312 -32.8304 -32.8304 2.4356 2.4356 6.2707 6.2707 8.7049 8.7049 8.7630 8.7630 9.8163 9.8163 9.8188 9.8188 9.9749 9.9749 10.1275 10.1275 10.1657 10.1657 10.1861 10.1861 10.3422 10.3422 10.4057 10.4057 12.1246 12.1246 12.1294 12.1294 13.6300 13.6300 13.6829 13.6829 13.6880 13.6880 14.1426 14.1426 15.7031 15.7031 15.8453 15.8453 16.2351 16.2351 k = 0.4333 0.2502 0.1769 ( 4612 PWs) bands (ev): -64.2193 -64.2193 -34.0291 -34.0291 -32.8311 -32.8311 -32.8304 -32.8304 2.4749 2.4749 6.2102 6.2102 8.7068 8.7068 8.7647 8.7647 9.8241 9.8241 9.8285 9.8285 9.9814 9.9814 10.1159 10.1159 10.1499 10.1499 10.1764 10.1764 10.3346 10.3346 10.3980 10.3980 12.1197 12.1197 12.1254 12.1254 13.6410 13.6410 13.7023 13.7023 13.7030 13.7030 14.1111 14.1111 15.7196 15.7196 15.8630 15.8630 16.1937 16.1937 k = 0.4444 0.2566 0.1814 ( 4612 PWs) bands (ev): -64.2193 -64.2193 -34.0291 -34.0291 -32.8312 -32.8312 -32.8304 -32.8304 2.5094 2.5094 6.1574 6.1574 8.7083 8.7083 8.7661 8.7661 9.8280 9.8280 9.8397 9.8397 9.9900 9.9900 10.1052 10.1052 10.1345 10.1345 10.1678 10.1678 10.3281 10.3281 10.3912 10.3912 12.1154 12.1154 12.1218 12.1218 13.6452 13.6452 13.7136 13.7136 13.7160 13.7160 14.0828 14.0828 15.7344 15.7344 15.8802 15.8802 16.1566 16.1566 k = 0.4556 0.2630 0.1860 ( 4609 PWs) bands (ev): -64.2189 -64.2189 -34.0291 -34.0291 -32.8312 -32.8312 -32.8304 -32.8304 2.5386 2.5386 6.1131 6.1131 8.7097 8.7097 8.7674 8.7674 9.8309 9.8309 9.8496 9.8496 10.0002 10.0002 10.0956 10.0956 10.1195 10.1195 10.1605 10.1605 10.3229 10.3229 10.3853 10.3853 12.1122 12.1122 12.1192 12.1192 13.6478 13.6478 13.7245 13.7245 13.7294 13.7294 14.0594 14.0594 15.7490 15.7490 15.8982 15.8982 16.1247 16.1247 k = 0.4667 0.2694 0.1905 ( 4606 PWs) bands (ev): -64.2186 -64.2186 -34.0291 -34.0291 -32.8311 -32.8311 -32.8304 -32.8304 2.5619 2.5619 6.0780 6.0780 8.7107 8.7107 8.7683 8.7683 9.8331 9.8331 9.8578 9.8578 10.0115 10.0115 10.0875 10.0875 10.1050 10.1050 10.1547 10.1547 10.3187 10.3187 10.3807 10.3807 12.1094 12.1094 12.1169 12.1169 13.6526 13.6526 13.7334 13.7334 13.7380 13.7380 14.0414 14.0414 15.7606 15.7606 15.9146 15.9146 16.0984 16.0984 k = 0.4778 0.2758 0.1951 ( 4608 PWs) bands (ev): -64.2189 -64.2189 -34.0291 -34.0291 -32.8312 -32.8312 -32.8304 -32.8304 2.5790 2.5790 6.0525 6.0525 8.7114 8.7114 8.7690 8.7690 9.8345 9.8345 9.8641 9.8641 10.0230 10.0230 10.0813 10.0813 10.0913 10.0913 10.1504 10.1504 10.3158 10.3158 10.3773 10.3773 12.1069 12.1069 12.1148 12.1148 13.6540 13.6540 13.7394 13.7394 13.7445 13.7445 14.0282 14.0282 15.7686 15.7686 15.9282 15.9282 16.0787 16.0787 k = 0.4889 0.2823 0.1996 ( 4614 PWs) bands (ev): -64.2195 -64.2195 -34.0291 -34.0291 -32.8312 -32.8312 -32.8304 -32.8304 2.5893 2.5893 6.0370 6.0370 8.7117 8.7117 8.7693 8.7693 9.8353 9.8353 9.8680 9.8680 10.0332 10.0332 10.0773 10.0773 10.0798 10.0798 10.1478 10.1478 10.3140 10.3140 10.3753 10.3753 12.1046 12.1046 12.1128 12.1128 13.6533 13.6533 13.7427 13.7427 13.7484 13.7484 14.0202 14.0202 15.7715 15.7715 15.9362 15.9362 16.0664 16.0664 k = 0.5000 0.2887 0.2041 ( 4626 PWs) bands (ev): -64.2207 -64.2207 -34.0292 -34.0292 -32.8312 -32.8312 -32.8304 -32.8304 2.5928 2.5928 6.0316 6.0316 8.7118 8.7118 8.7693 8.7693 9.8354 9.8354 9.8694 9.8694 10.0381 10.0381 10.0744 10.0744 10.0758 10.0758 10.1470 10.1470 10.3134 10.3134 10.3746 10.3746 12.1041 12.1041 12.1123 12.1123 13.6481 13.6481 13.7391 13.7391 13.7449 13.7449 14.0175 14.0175 15.7731 15.7731 15.9399 15.9399 16.0622 16.0622 k = 0.5000 0.2887 0.2041 ( 4626 PWs) bands (ev): -64.2207 -64.2207 -34.0292 -34.0292 -32.8312 -32.8312 -32.8304 -32.8304 2.5928 2.5928 6.0316 6.0316 8.7118 8.7118 8.7693 8.7693 9.8354 9.8354 9.8694 9.8694 10.0381 10.0381 10.0744 10.0744 10.0758 10.0758 10.1470 10.1470 10.3134 10.3134 10.3746 10.3746 12.1041 12.1041 12.1123 12.1123 13.6481 13.6481 13.7391 13.7391 13.7449 13.7449 14.0175 14.0175 15.7731 15.7731 15.9399 15.9399 16.0622 16.0622 k = 0.5039 0.2774 0.2105 ( 4613 PWs) bands (ev): -64.2194 -64.2194 -34.0291 -34.0291 -32.8312 -32.8312 -32.8304 -32.8304 2.5936 2.5936 6.0331 6.0331 8.7106 8.7106 8.7684 8.7684 9.8325 9.8325 9.8712 9.8712 10.0346 10.0346 10.0753 10.0753 10.0794 10.0794 10.1475 10.1475 10.3134 10.3134 10.3750 10.3750 12.1024 12.1024 12.1115 12.1115 13.6511 13.6511 13.7405 13.7405 13.7461 13.7461 14.0259 14.0259 15.7425 15.7425 15.8733 15.8733 16.1279 16.1279 k = 0.5078 0.2661 0.2169 ( 4607 PWs) bands (ev): -64.2187 -64.2187 -34.0291 -34.0291 -32.8312 -32.8312 -32.8304 -32.8304 2.5958 2.5958 6.0374 6.0374 8.7063 8.7063 8.7660 8.7660 9.8248 9.8248 9.8753 9.8753 10.0267 10.0267 10.0754 10.0754 10.0886 10.0886 10.1489 10.1489 10.3134 10.3134 10.3763 10.3763 12.0920 12.0920 12.1079 12.1079 13.6497 13.6497 13.7336 13.7336 13.7457 13.7457 14.0496 14.0496 15.6673 15.6673 15.7682 15.7682 16.2070 16.2070 k = 0.5117 0.2548 0.2233 ( 4606 PWs) bands (ev): -64.2186 -64.2186 -34.0291 -34.0291 -32.8312 -32.8312 -32.8304 -32.8304 2.5996 2.5996 6.0444 6.0444 8.6976 8.6976 8.7632 8.7632 9.8142 9.8142 9.8797 9.8797 10.0176 10.0176 10.0753 10.0753 10.0997 10.0997 10.1512 10.1512 10.3135 10.3135 10.3785 10.3785 12.0724 12.0724 12.1032 12.1032 13.6444 13.6444 13.7214 13.7214 13.7443 13.7443 14.0847 14.0847 15.5764 15.5764 15.6605 15.6605 16.3007 16.3007 k = 0.5156 0.2436 0.2296 ( 4599 PWs) bands (ev): -64.2179 -64.2179 -34.0291 -34.0291 -32.8311 -32.8311 -32.8304 -32.8304 2.6049 2.6049 6.0542 6.0542 8.6836 8.6836 8.7617 8.7617 9.8018 9.8018 9.8838 9.8838 10.0086 10.0086 10.0755 10.0755 10.1116 10.1116 10.1544 10.1544 10.3137 10.3137 10.3815 10.3815 12.0471 12.0471 12.0976 12.0976 13.6366 13.6366 13.7095 13.7095 13.7420 13.7420 14.1283 14.1283 15.4841 15.4841 15.5571 15.5571 16.4003 16.4003 k = 0.5195 0.2323 0.2360 ( 4594 PWs) bands (ev): -64.2173 -64.2173 -34.0291 -34.0291 -32.8311 -32.8311 -32.8303 -32.8303 2.6117 2.6117 6.0666 6.0666 8.6631 8.6631 8.7621 8.7621 9.7880 9.7880 9.8870 9.8870 10.0000 10.0000 10.0760 10.0760 10.1235 10.1235 10.1585 10.1585 10.3139 10.3139 10.3852 10.3852 12.0145 12.0145 12.0916 12.0916 13.6248 13.6248 13.6970 13.6970 13.7397 13.7397 14.1763 14.1763 15.3919 15.3919 15.4573 15.4573 16.4997 16.4997 k = 0.5234 0.2210 0.2424 ( 4598 PWs) bands (ev): -64.2178 -64.2178 -34.0291 -34.0291 -32.8311 -32.8311 -32.8304 -32.8304 2.6199 2.6199 6.0819 6.0819 8.6364 8.6364 8.7639 8.7639 9.7729 9.7729 9.8892 9.8892 9.9921 9.9921 10.0766 10.0766 10.1347 10.1347 10.1634 10.1634 10.3142 10.3142 10.3895 10.3895 11.9766 11.9766 12.0818 12.0818 13.6074 13.6074 13.6859 13.6859 13.7356 13.7356 14.2257 14.2257 15.2997 15.2997 15.3597 15.3597 16.5980 16.5980 k = 0.5273 0.2097 0.2488 ( 4595 PWs) bands (ev): -64.2174 -64.2174 -34.0291 -34.0291 -32.8311 -32.8311 -32.8304 -32.8304 2.6295 2.6295 6.0998 6.0998 8.6043 8.6043 8.7676 8.7676 9.7568 9.7568 9.8904 9.8904 9.9849 9.9849 10.0776 10.0776 10.1449 10.1449 10.1695 10.1695 10.3146 10.3146 10.3944 10.3944 11.9343 11.9343 12.0716 12.0716 13.5905 13.5905 13.6778 13.6778 13.7316 13.7316 14.2729 14.2729 15.2141 15.2141 15.2702 15.2702 16.6962 16.6962 k = 0.5312 0.1985 0.2552 ( 4600 PWs) bands (ev): -64.2179 -64.2179 -34.0291 -34.0291 -32.8311 -32.8311 -32.8304 -32.8304 2.6405 2.6405 6.1204 6.1204 8.5668 8.5668 8.7723 8.7723 9.7398 9.7398 9.8907 9.8907 9.9785 9.9785 10.0790 10.0790 10.1536 10.1536 10.1769 10.1769 10.3152 10.3152 10.3997 10.3997 11.8894 11.8894 12.0583 12.0583 13.5661 13.5661 13.6710 13.6710 13.7264 13.7264 14.3162 14.3162 15.1310 15.1310 15.1875 15.1875 16.7926 16.7926 k = 0.5352 0.1872 0.2615 ( 4604 PWs) bands (ev): -64.2184 -64.2184 -34.0292 -34.0292 -32.8312 -32.8312 -32.8304 -32.8304 2.6528 2.6528 6.1437 6.1437 8.5248 8.5248 8.7781 8.7781 9.7219 9.7219 9.8902 9.8902 9.9727 9.9727 10.0809 10.0809 10.1608 10.1608 10.1854 10.1854 10.3159 10.3159 10.4053 10.4053 11.8427 11.8427 12.0438 12.0438 13.5381 13.5381 13.6655 13.6655 13.7194 13.7194 14.3504 14.3504 15.0520 15.0520 15.1205 15.1205 16.8907 16.8907 k = 0.5391 0.1759 0.2679 ( 4602 PWs) bands (ev): -64.2182 -64.2182 -34.0292 -34.0292 -32.8311 -32.8311 -32.8304 -32.8304 2.6664 2.6664 6.1695 6.1695 8.4783 8.4783 8.7849 8.7849 9.7033 9.7033 9.8889 9.8889 9.9677 9.9677 10.0834 10.0834 10.1669 10.1669 10.1944 10.1944 10.3169 10.3169 10.4111 10.4111 11.7944 11.7944 12.0284 12.0284 13.5080 13.5080 13.6646 13.6646 13.7164 13.7164 14.3708 14.3708 14.9747 14.9747 15.0737 15.0737 16.9895 16.9895 k = 0.5430 0.1646 0.2743 ( 4600 PWs) bands (ev): -64.2179 -64.2179 -34.0292 -34.0292 -32.8311 -32.8311 -32.8305 -32.8305 2.6812 2.6812 6.1979 6.1979 8.4278 8.4278 8.7925 8.7925 9.6842 9.6842 9.8871 9.8871 9.9632 9.9632 10.0863 10.0863 10.1725 10.1725 10.2035 10.2035 10.3181 10.3181 10.4168 10.4168 11.7461 11.7461 12.0116 12.0116 13.4732 13.4732 13.6635 13.6635 13.7129 13.7129 14.3781 14.3781 14.8984 14.8984 15.0495 15.0495 17.0906 17.0906 k = 0.5469 0.1534 0.2807 ( 4602 PWs) bands (ev): -64.2181 -64.2181 -34.0292 -34.0292 -32.8311 -32.8311 -32.8305 -32.8305 2.6972 2.6972 6.2287 6.2287 8.3737 8.3737 8.8009 8.8009 9.6644 9.6644 9.8847 9.8847 9.9592 9.9592 10.0896 10.0896 10.1777 10.1777 10.2121 10.2121 10.3196 10.3196 10.4225 10.4225 11.6976 11.6976 11.9929 11.9929 13.4350 13.4350 13.6622 13.6622 13.7083 13.7083 14.3689 14.3689 14.8234 14.8234 15.0456 15.0456 17.1942 17.1942 k = 0.5508 0.1421 0.2870 ( 4607 PWs) bands (ev): -64.2186 -64.2186 -34.0292 -34.0292 -32.8312 -32.8312 -32.8305 -32.8305 2.7142 2.7142 6.2618 6.2618 8.3161 8.3161 8.8100 8.8100 9.6442 9.6442 9.8818 9.8818 9.9555 9.9555 10.0932 10.0932 10.1826 10.1826 10.2201 10.2201 10.3215 10.3215 10.4279 10.4279 11.6493 11.6493 11.9731 11.9731 13.3939 13.3939 13.6600 13.6600 13.7043 13.7043 14.3444 14.3444 14.7510 14.7510 15.0580 15.0580 17.3012 17.3012 k = 0.5547 0.1308 0.2934 ( 4607 PWs) bands (ev): -64.2186 -64.2186 -34.0292 -34.0292 -32.8312 -32.8312 -32.8305 -32.8305 2.7321 2.7321 6.2972 6.2972 8.2557 8.2557 8.8197 8.8197 9.6237 9.6237 9.8788 9.8788 9.9521 9.9521 10.0971 10.0971 10.1876 10.1876 10.2273 10.2273 10.3237 10.3237 10.4330 10.4330 11.6027 11.6027 11.9523 11.9523 13.3488 13.3488 13.6593 13.6593 13.7026 13.7026 14.3161 14.3161 14.6821 14.6821 15.0808 15.0808 17.4128 17.4128 k = 0.5586 0.1195 0.2998 ( 4605 PWs) bands (ev): -64.2184 -64.2184 -34.0292 -34.0292 -32.8312 -32.8312 -32.8305 -32.8305 2.7510 2.7510 6.3348 6.3348 8.1929 8.1929 8.8301 8.8301 9.6028 9.6028 9.8754 9.8754 9.9490 9.9490 10.1013 10.1013 10.1925 10.1925 10.2336 10.2336 10.3262 10.3262 10.4375 10.4375 11.5575 11.5575 11.9300 11.9300 13.3030 13.3030 13.6601 13.6601 13.7019 13.7019 14.2833 14.2833 14.6157 14.6157 15.1109 15.1109 17.5302 17.5302 k = 0.5625 0.1083 0.3062 ( 4613 PWs) bands (ev): -64.2192 -64.2192 -34.0292 -34.0292 -32.8312 -32.8312 -32.8306 -32.8306 2.7706 2.7706 6.3744 6.3744 8.1277 8.1277 8.8410 8.8410 9.5817 9.5817 9.8719 9.8719 9.9460 9.9460 10.1057 10.1057 10.1972 10.1972 10.2391 10.2391 10.3290 10.3290 10.4415 10.4415 11.5137 11.5137 11.9062 11.9062 13.2537 13.2537 13.6583 13.6583 13.7013 13.7013 14.2436 14.2436 14.5499 14.5499 15.1430 15.1430 17.6524 17.6524 k = 0.5664 0.0970 0.3126 ( 4609 PWs) bands (ev): -64.2188 -64.2188 -34.0292 -34.0292 -32.8312 -32.8312 -32.8306 -32.8306 2.7908 2.7908 6.4160 6.4160 8.0612 8.0612 8.8525 8.8525 9.5605 9.5605 9.8682 9.8682 9.9431 9.9431 10.1104 10.1104 10.2018 10.2018 10.2439 10.2439 10.3321 10.3321 10.4449 10.4449 11.4724 11.4724 11.8819 11.8819 13.2054 13.2054 13.6589 13.6589 13.7053 13.7053 14.2098 14.2098 14.4888 14.4888 15.1762 15.1762 17.7810 17.7810 k = 0.5703 0.0857 0.3189 ( 4605 PWs) bands (ev): -64.2184 -64.2184 -34.0292 -34.0292 -32.8312 -32.8312 -32.8306 -32.8306 2.8116 2.8116 6.4592 6.4592 7.9935 7.9935 8.8646 8.8646 9.5393 9.5393 9.8645 9.8645 9.9403 9.9403 10.1152 10.1152 10.2061 10.2061 10.2482 10.2482 10.3354 10.3354 10.4475 10.4475 11.4334 11.4334 11.8568 11.8568 13.1571 13.1571 13.6587 13.6587 13.7108 13.7108 14.1760 14.1760 14.4312 14.4312 15.2082 15.2082 17.9151 17.9151 k = 0.5742 0.0744 0.3253 ( 4603 PWs) bands (ev): -64.2182 -64.2182 -34.0292 -34.0292 -32.8312 -32.8312 -32.8306 -32.8306 2.8327 2.8327 6.5038 6.5038 7.9252 7.9252 8.8771 8.8771 9.5182 9.5182 9.8608 9.8608 9.9375 9.9375 10.1201 10.1201 10.2100 10.2100 10.2520 10.2520 10.3388 10.3388 10.4494 10.4494 11.3969 11.3969 11.8310 11.8310 13.1087 13.1087 13.6585 13.6585 13.7159 13.7159 14.1428 14.1428 14.3763 14.3763 15.2378 15.2378 18.0537 18.0537 k = 0.5781 0.0631 0.3317 ( 4612 PWs) bands (ev): -64.2191 -64.2191 -34.0293 -34.0293 -32.8312 -32.8312 -32.8307 -32.8307 2.8540 2.8540 6.5494 6.5494 7.8571 7.8571 8.8897 8.8897 9.4972 9.4972 9.8569 9.8569 9.9346 9.9346 10.1250 10.1250 10.2131 10.2131 10.2554 10.2554 10.3423 10.3423 10.4506 10.4506 11.3630 11.3630 11.8036 11.8036 13.0582 13.0582 13.6562 13.6562 13.7210 13.7210 14.1095 14.1095 14.3184 14.3184 15.2631 15.2631 18.1968 18.1968 k = 0.5820 0.0519 0.3381 ( 4608 PWs) bands (ev): -64.2187 -64.2187 -34.0293 -34.0293 -32.8312 -32.8312 -32.8307 -32.8307 2.8753 2.8753 6.5957 6.5957 7.7900 7.7900 8.9030 8.9030 9.4765 9.4765 9.8531 9.8531 9.9317 9.9317 10.1299 10.1299 10.2154 10.2154 10.2588 10.2588 10.3459 10.3459 10.4511 10.4511 11.3322 11.3322 11.7764 11.7764 13.0120 13.0120 13.6558 13.6558 13.7303 13.7303 14.0821 14.0821 14.2669 14.2669 15.2869 15.2869 18.3428 18.3428 k = 0.5859 0.0406 0.3445 ( 4600 PWs) bands (ev): -64.2178 -64.2178 -34.0293 -34.0293 -32.8312 -32.8312 -32.8306 -32.8306 2.8964 2.8964 6.6419 6.6419 7.7248 7.7248 8.9166 8.9166 9.4564 9.4564 9.8494 9.8494 9.9288 9.9288 10.1349 10.1349 10.2167 10.2167 10.2623 10.2623 10.3496 10.3496 10.4510 10.4510 11.3042 11.3042 11.7493 11.7493 12.9673 12.9673 13.6592 13.6592 13.7386 13.7386 14.0567 14.0567 14.2214 14.2214 15.3072 15.3072 18.4879 18.4879 k = 0.5898 0.0293 0.3508 ( 4600 PWs) bands (ev): -64.2178 -64.2178 -34.0293 -34.0293 -32.8312 -32.8312 -32.8307 -32.8307 2.9172 2.9172 6.6872 6.6872 7.6625 7.6625 8.9303 8.9303 9.4368 9.4368 9.8456 9.8456 9.9257 9.9257 10.1396 10.1396 10.2168 10.2168 10.2658 10.2658 10.3533 10.3533 10.4503 10.4503 11.2791 11.2791 11.7217 11.7217 12.9217 12.9217 13.6610 13.6610 13.7454 13.7454 14.0338 14.0338 14.1751 14.1751 15.3223 15.3223 18.6237 18.6237 k = 0.5938 0.0180 0.3572 ( 4600 PWs) bands (ev): -64.2178 -64.2178 -34.0293 -34.0293 -32.8312 -32.8312 -32.8307 -32.8307 2.9373 2.9373 6.7306 6.7306 7.6047 7.6047 8.9442 8.9442 9.4178 9.4178 9.8419 9.8419 9.9226 9.9226 10.1441 10.1441 10.2158 10.2158 10.2694 10.2694 10.3570 10.3570 10.4494 10.4494 11.2570 11.2570 11.6939 11.6939 12.8793 12.8793 13.6623 13.6623 13.7548 13.7548 14.0097 14.0097 14.1310 14.1310 15.3346 15.3346 18.7270 18.7270 k = 0.5977 0.0068 0.3636 ( 4602 PWs) bands (ev): -64.2180 -64.2180 -34.0293 -34.0293 -32.8312 -32.8312 -32.8307 -32.8307 2.9566 2.9566 6.7703 6.7703 7.5536 7.5536 8.9581 8.9581 9.3995 9.3995 9.8381 9.8381 9.9192 9.9192 10.1482 10.1482 10.2137 10.2137 10.2731 10.2731 10.3607 10.3607 10.4485 10.4485 11.2379 11.2379 11.6660 11.6660 12.8389 12.8389 13.6636 13.6636 13.7612 13.7612 13.9909 13.9909 14.0871 14.0871 15.3434 15.3434 18.7535 18.7535 k = 0.6016-0.0045 0.3700 ( 4606 PWs) bands (ev): -64.2184 -64.2184 -34.0293 -34.0293 -32.8312 -32.8312 -32.8307 -32.8307 2.9747 2.9747 6.8042 6.8042 7.5114 7.5114 8.9721 8.9721 9.3823 9.3823 9.8343 9.8343 9.9157 9.9157 10.1519 10.1519 10.2106 10.2106 10.2769 10.2769 10.3640 10.3640 10.4478 10.4478 11.2216 11.2216 11.6383 11.6383 12.7999 12.7999 13.6654 13.6654 13.7685 13.7685 13.9723 13.9723 14.0454 14.0454 15.3484 15.3484 18.6979 18.6979 k = 0.6055-0.0158 0.3764 ( 4600 PWs) bands (ev): -64.2178 -64.2178 -34.0293 -34.0293 -32.8312 -32.8312 -32.8307 -32.8307 2.9915 2.9915 6.8296 6.8296 7.4813 7.4813 8.9861 8.9861 9.3661 9.3661 9.8306 9.8306 9.9119 9.9119 10.1549 10.1549 10.2067 10.2067 10.2810 10.2810 10.3670 10.3670 10.4479 10.4479 11.2082 11.2082 11.6111 11.6111 12.7639 12.7639 13.6703 13.6703 13.7789 13.7789 13.9606 13.9606 14.0083 14.0083 15.3507 15.3507 18.6042 18.6042 k = 0.6094-0.0271 0.3827 ( 4602 PWs) bands (ev): -64.2180 -64.2180 -34.0293 -34.0293 -32.8312 -32.8312 -32.8307 -32.8307 3.0067 3.0067 6.8441 6.8441 7.4659 7.4659 8.9999 8.9999 9.3510 9.3510 9.8269 9.8269 9.9079 9.9079 10.1572 10.1572 10.2022 10.2022 10.2853 10.2853 10.3693 10.3693 10.4490 10.4490 11.1974 11.1974 11.5841 11.5841 12.7296 12.7296 13.6745 13.6745 13.7866 13.7866 13.9473 13.9473 13.9704 13.9704 15.3494 15.3494 18.4974 18.4974 k = 0.6133-0.0383 0.3891 ( 4612 PWs) bands (ev): -64.2190 -64.2190 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 3.0198 3.0198 6.8461 6.8461 7.4670 7.4670 9.0133 9.0133 9.3375 9.3375 9.8231 9.8231 9.9033 9.9033 10.1586 10.1586 10.1971 10.1971 10.2899 10.2899 10.3708 10.3708 10.4515 10.4515 11.1890 11.1890 11.5574 11.5574 12.6965 12.6965 13.6787 13.6787 13.7886 13.7886 13.9264 13.9264 13.9406 13.9406 15.3447 15.3447 18.3864 18.3864 k = 0.6172-0.0496 0.3955 ( 4608 PWs) bands (ev): -64.2186 -64.2186 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 3.0308 3.0308 6.8365 6.8365 7.4845 7.4845 9.0267 9.0267 9.3254 9.3254 9.8193 9.8193 9.8982 9.8982 10.1589 10.1589 10.1921 10.1921 10.2951 10.2951 10.3716 10.3716 10.4555 10.4555 11.1831 11.1831 11.5318 11.5318 12.6668 12.6668 13.6851 13.6851 13.7939 13.7939 13.8981 13.8981 13.9347 13.9347 15.3385 15.3385 18.2772 18.2772 k = 0.6211-0.0609 0.4019 ( 4610 PWs) bands (ev): -64.2188 -64.2188 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 3.0392 3.0392 6.8175 6.8175 7.5159 7.5159 9.0395 9.0395 9.3149 9.3149 9.8155 9.8155 9.8925 9.8925 10.1580 10.1580 10.1874 10.1874 10.3008 10.3008 10.3717 10.3717 10.4610 10.4610 11.1793 11.1793 11.5067 11.5067 12.6391 12.6391 13.6913 13.6913 13.7942 13.7942 13.8680 13.8680 13.9319 13.9319 15.3293 15.3293 18.1703 18.1703 k = 0.6250-0.0722 0.4082 ( 4604 PWs) bands (ev): -64.2181 -64.2181 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 3.0448 3.0448 6.7925 6.7925 7.5584 7.5584 9.0518 9.0518 9.3062 9.3062 9.8117 9.8117 9.8860 9.8860 10.1558 10.1558 10.1835 10.1835 10.3071 10.3071 10.3718 10.3718 10.4677 10.4677 11.1776 11.1776 11.4823 11.4823 12.6136 12.6136 13.7006 13.7006 13.7933 13.7933 13.8418 13.8418 13.9391 13.9391 15.3183 15.3183 18.0672 18.0672 k = 0.6250-0.0722 0.4082 ( 4604 PWs) bands (ev): -64.2181 -64.2181 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 3.0448 3.0448 6.7925 6.7925 7.5584 7.5584 9.0518 9.0518 9.3062 9.3062 9.8117 9.8117 9.8860 9.8860 10.1558 10.1558 10.1835 10.1835 10.3071 10.3071 10.3718 10.3718 10.4677 10.4677 11.1776 11.1776 11.4823 11.4823 12.6136 12.6136 13.7006 13.7006 13.7933 13.7933 13.8418 13.8418 13.9391 13.9391 15.3183 15.3183 18.0672 18.0672 k = 0.6184-0.0684 0.4190 ( 4610 PWs) bands (ev): -64.2188 -64.2188 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 3.0451 3.0451 6.7937 6.7937 7.5582 7.5582 9.0477 9.0477 9.3079 9.3079 9.8117 9.8117 9.8858 9.8858 10.1553 10.1553 10.1837 10.1837 10.3056 10.3056 10.3729 10.3729 10.4677 10.4677 11.1775 11.1775 11.4783 11.4783 12.6184 12.6184 13.6946 13.6946 13.7930 13.7930 13.8372 13.8372 13.9383 13.9383 15.3273 15.3273 18.0675 18.0675 k = 0.6118-0.0646 0.4297 ( 4604 PWs) bands (ev): -64.2181 -64.2181 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 3.0461 3.0461 6.7974 6.7974 7.5576 7.5576 9.0361 9.0361 9.3130 9.3130 9.8122 9.8122 9.8853 9.8853 10.1544 10.1544 10.1846 10.1846 10.3016 10.3016 10.3760 10.3760 10.4677 10.4677 11.1773 11.1773 11.4668 11.4668 12.6353 12.6353 13.6907 13.6907 13.7947 13.7947 13.8315 13.8315 13.9412 13.9412 15.3557 15.3557 18.0712 18.0712 k = 0.6053-0.0608 0.4405 ( 4605 PWs) bands (ev): -64.2183 -64.2183 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 3.0477 3.0477 6.8035 6.8035 7.5564 7.5564 9.0176 9.0176 9.3201 9.3201 9.8128 9.8128 9.8844 9.8844 10.1527 10.1527 10.1859 10.1859 10.2956 10.2956 10.3804 10.3804 10.4678 10.4678 11.1771 11.1771 11.4487 11.4487 12.6580 12.6580 13.6816 13.6816 13.7958 13.7958 13.8210 13.8210 13.9451 13.9451 15.3992 15.3992 18.0737 18.0737 k = 0.5987-0.0570 0.4512 ( 4611 PWs) bands (ev): -64.2189 -64.2189 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 3.0499 3.0499 6.8120 6.8120 7.5546 7.5546 8.9935 8.9935 9.3286 9.3286 9.8136 9.8136 9.8831 9.8831 10.1506 10.1506 10.1873 10.1873 10.2885 10.2885 10.3855 10.3855 10.4678 10.4678 11.1767 11.1767 11.4256 11.4256 12.6890 12.6890 13.6650 13.6650 13.7879 13.7879 13.8136 13.8136 13.9471 13.9471 15.4607 15.4607 18.0784 18.0784 k = 0.5921-0.0532 0.4620 ( 4615 PWs) bands (ev): -64.2193 -64.2193 -34.0293 -34.0293 -32.8313 -32.8313 -32.8308 -32.8308 3.0527 3.0527 6.8229 6.8229 7.5520 7.5520 8.9650 8.9650 9.3377 9.3377 9.8146 9.8146 9.8816 9.8816 10.1483 10.1483 10.1887 10.1887 10.2807 10.2807 10.3909 10.3909 10.4678 10.4678 11.1761 11.1761 11.3991 11.3991 12.7255 12.7255 13.6484 13.6484 13.7721 13.7721 13.8129 13.8129 13.9493 13.9493 15.5374 15.5374 18.0843 18.0843 k = 0.5855-0.0494 0.4727 ( 4615 PWs) bands (ev): -64.2193 -64.2193 -34.0293 -34.0293 -32.8313 -32.8313 -32.8308 -32.8308 3.0561 3.0561 6.8362 6.8362 7.5483 7.5483 8.9331 8.9331 9.3469 9.3469 9.8159 9.8159 9.8797 9.8797 10.1460 10.1460 10.1899 10.1899 10.2727 10.2727 10.3963 10.3963 10.4677 10.4677 11.1755 11.1755 11.3709 11.3709 12.7660 12.7660 13.6326 13.6326 13.7557 13.7557 13.8159 13.8159 13.9503 13.9503 15.6283 15.6283 18.0910 18.0910 k = 0.5789-0.0456 0.4835 ( 4617 PWs) bands (ev): -64.2195 -64.2195 -34.0293 -34.0293 -32.8313 -32.8313 -32.8308 -32.8308 3.0599 3.0599 6.8519 6.8519 7.5433 7.5433 8.8988 8.8988 9.3556 9.3556 9.8174 9.8174 9.8777 9.8777 10.1435 10.1435 10.1907 10.1907 10.2650 10.2650 10.4015 10.4015 10.4676 10.4676 11.1747 11.1747 11.3423 11.3423 12.8090 12.8090 13.6133 13.6133 13.7377 13.7377 13.8183 13.8183 13.9513 13.9513 15.7326 15.7326 18.0990 18.0990 k = 0.5724-0.0418 0.4942 ( 4625 PWs) bands (ev): -64.2204 -64.2204 -34.0294 -34.0294 -32.8313 -32.8313 -32.8308 -32.8308 3.0641 3.0641 6.8700 6.8700 7.5364 7.5364 8.8629 8.8629 9.3636 9.3636 9.8190 9.8190 9.8754 9.8754 10.1411 10.1411 10.1906 10.1906 10.2580 10.2580 10.4063 10.4063 10.4671 10.4671 11.1738 11.1738 11.3146 11.3146 12.8540 12.8540 13.5930 13.5930 13.7168 13.7168 13.8155 13.8155 13.9502 13.9502 15.8487 15.8487 18.1087 18.1087 k = 0.5658-0.0380 0.5049 ( 4607 PWs) bands (ev): -64.2185 -64.2185 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 3.0686 3.0686 6.8904 6.8904 7.5276 7.5276 8.8266 8.8266 9.3711 9.3711 9.8210 9.8210 9.8730 9.8730 10.1390 10.1390 10.1900 10.1900 10.2523 10.2523 10.4109 10.4109 10.4666 10.4666 11.1727 11.1727 11.2887 11.2887 12.9033 12.9033 13.5752 13.5752 13.7070 13.7070 13.8232 13.8232 13.9541 13.9541 15.9775 15.9775 18.1225 18.1225 k = 0.5592-0.0342 0.5157 ( 4609 PWs) bands (ev): -64.2187 -64.2187 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 3.0734 3.0734 6.9130 6.9130 7.5160 7.5160 8.7906 8.7906 9.3775 9.3775 9.8230 9.8230 9.8705 9.8705 10.1369 10.1369 10.1882 10.1882 10.2478 10.2478 10.4150 10.4150 10.4657 10.4657 11.1713 11.1713 11.2652 11.2652 12.9479 12.9479 13.5530 13.5530 13.6910 13.6910 13.8250 13.8250 13.9523 13.9523 16.1132 16.1132 18.1347 18.1347 k = 0.5526-0.0304 0.5264 ( 4615 PWs) bands (ev): -64.2193 -64.2193 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 3.0782 3.0782 6.9378 6.9378 7.5015 7.5015 8.7558 8.7558 9.3829 9.3829 9.8252 9.8252 9.8678 9.8678 10.1349 10.1349 10.1854 10.1854 10.2448 10.2448 10.4187 10.4187 10.4645 10.4645 11.1697 11.1697 11.2446 11.2446 12.9925 12.9925 13.5267 13.5267 13.6738 13.6738 13.8261 13.8261 13.9492 13.9492 16.2571 16.2571 18.1485 18.1485 k = 0.5461-0.0266 0.5372 ( 4617 PWs) bands (ev): -64.2195 -64.2195 -34.0294 -34.0294 -32.8312 -32.8312 -32.8308 -32.8308 3.0831 3.0831 6.9648 6.9648 7.4837 7.4837 8.7232 8.7232 9.3875 9.3875 9.8275 9.8275 9.8651 9.8651 10.1331 10.1331 10.1819 10.1819 10.2432 10.2432 10.4221 10.4221 10.4629 10.4629 11.1677 11.1677 11.2272 11.2272 13.0359 13.0359 13.5024 13.5024 13.6600 13.6600 13.8268 13.8268 13.9466 13.9466 16.4068 16.4068 18.1639 18.1639 k = 0.5395-0.0228 0.5479 ( 4615 PWs) bands (ev): -64.2193 -64.2193 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 3.0878 3.0878 6.9938 6.9938 7.4623 7.4623 8.6938 8.6938 9.3913 9.3913 9.8300 9.8300 9.8624 9.8624 10.1316 10.1316 10.1779 10.1779 10.2428 10.2428 10.4252 10.4252 10.4610 10.4610 11.1652 11.1652 11.2132 11.2132 13.0785 13.0785 13.4776 13.4776 13.6504 13.6504 13.8288 13.8288 13.9441 13.9441 16.5604 16.5604 18.1804 18.1804 k = 0.5329-0.0190 0.5587 ( 4615 PWs) bands (ev): -64.2193 -64.2193 -34.0294 -34.0294 -32.8312 -32.8312 -32.8308 -32.8308 3.0923 3.0923 7.0245 7.0245 7.4375 7.4375 8.6682 8.6682 9.3943 9.3943 9.8325 9.8325 9.8598 9.8598 10.1303 10.1303 10.1740 10.1740 10.2430 10.2430 10.4281 10.4281 10.4587 10.4587 11.1623 11.1623 11.2026 11.2026 13.1195 13.1195 13.4505 13.4505 13.6410 13.6410 13.8290 13.8290 13.9434 13.9434 16.7149 16.7149 18.1961 18.1961 k = 0.5263-0.0152 0.5694 ( 4611 PWs) bands (ev): -64.2189 -64.2189 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 3.0964 3.0964 7.0567 7.0567 7.4094 7.4094 8.6469 8.6469 9.3967 9.3967 9.8352 9.8352 9.8572 9.8572 10.1292 10.1292 10.1705 10.1705 10.2435 10.2435 10.4309 10.4309 10.4560 10.4560 11.1591 11.1591 11.1950 11.1950 13.1605 13.1605 13.4243 13.4243 13.6356 13.6356 13.8275 13.8275 13.9432 13.9432 16.8652 16.8652 18.2065 18.2065 k = 0.5197-0.0114 0.5801 ( 4617 PWs) bands (ev): -64.2195 -64.2195 -34.0294 -34.0294 -32.8312 -32.8312 -32.8309 -32.8309 3.0999 3.0999 7.0896 7.0896 7.3790 7.3790 8.6302 8.6302 9.3983 9.3983 9.8378 9.8378 9.8546 9.8546 10.1284 10.1284 10.1675 10.1675 10.2442 10.2442 10.4335 10.4335 10.4531 10.4531 11.1562 11.1562 11.1900 11.1900 13.1966 13.1966 13.3962 13.3962 13.6285 13.6285 13.8254 13.8254 13.9378 13.9378 17.0039 17.0039 18.1926 18.1926 k = 0.5132-0.0076 0.5909 ( 4616 PWs) bands (ev): -64.2194 -64.2194 -34.0294 -34.0294 -32.8312 -32.8312 -32.8309 -32.8309 3.1026 3.1026 7.1214 7.1214 7.3481 7.3481 8.6185 8.6185 9.3993 9.3993 9.8403 9.8403 9.8522 9.8522 10.1277 10.1277 10.1654 10.1654 10.2449 10.2449 10.4361 10.4361 10.4501 10.4501 11.1538 11.1538 11.1868 11.1868 13.2299 13.2299 13.3696 13.3696 13.6259 13.6259 13.8249 13.8249 13.9367 13.9367 17.1202 17.1202 18.1494 18.1494 k = 0.5066-0.0038 0.6016 ( 4608 PWs) bands (ev): -64.2186 -64.2186 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 3.1044 3.1044 7.1481 7.1481 7.3216 7.3216 8.6119 8.6119 9.3999 9.3999 9.8426 9.8426 9.8500 9.8500 10.1273 10.1273 10.1641 10.1641 10.2456 10.2456 10.4385 10.4385 10.4472 10.4472 11.1525 11.1525 11.1851 11.1851 13.2604 13.2604 13.3442 13.3442 13.6278 13.6278 13.8284 13.8284 13.9379 13.9379 17.1985 17.1985 18.1097 18.1097 k = 0.5000-0.0000 0.6124 ( 4600 PWs) bands (ev): -64.2177 -64.2177 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 3.1050 3.1050 7.1598 7.1598 7.3099 7.3099 8.6097 8.6097 9.4002 9.4002 9.8437 9.8437 9.8491 9.8491 10.1273 10.1273 10.1637 10.1637 10.2459 10.2459 10.4398 10.4398 10.4457 10.4457 11.1521 11.1521 11.1845 11.1845 13.2795 13.2795 13.3320 13.3320 13.6297 13.6297 13.8290 13.8290 13.9390 13.9390 17.2257 17.2257 18.0960 18.0960 k = 0.5000-0.0000 0.6124 ( 4600 PWs) bands (ev): -64.2177 -64.2177 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 3.1050 3.1050 7.1598 7.1598 7.3099 7.3099 8.6097 8.6097 9.4002 9.4002 9.8437 9.8437 9.8491 9.8491 10.1273 10.1273 10.1637 10.1637 10.2459 10.2459 10.4398 10.4398 10.4457 10.4457 11.1521 11.1521 11.1845 11.1845 13.2795 13.2795 13.3320 13.3320 13.6297 13.6297 13.8290 13.8290 13.9390 13.9390 17.2257 17.2257 18.0960 18.0960 k = 0.5000 0.0078 0.6013 ( 4614 PWs) bands (ev): -64.2192 -64.2192 -34.0294 -34.0294 -32.8312 -32.8312 -32.8308 -32.8308 3.1038 3.1038 7.1590 7.1590 7.3092 7.3092 8.6123 8.6123 9.4000 9.4000 9.8440 9.8440 9.8493 9.8493 10.1272 10.1272 10.1645 10.1645 10.2457 10.2457 10.4386 10.4386 10.4464 10.4464 11.1531 11.1531 11.1858 11.1858 13.2762 13.2762 13.3284 13.3284 13.6295 13.6295 13.8260 13.8260 13.9327 13.9327 17.2146 17.2146 18.0850 18.0850 k = 0.5000 0.0156 0.5903 ( 4618 PWs) bands (ev): -64.2196 -64.2196 -34.0294 -34.0294 -32.8312 -32.8312 -32.8309 -32.8309 3.1004 3.1004 7.1556 7.1556 7.3083 7.3083 8.6206 8.6206 9.3994 9.3994 9.8447 9.8447 9.8504 9.8504 10.1273 10.1273 10.1668 10.1668 10.2455 10.2455 10.4357 10.4357 10.4476 10.4476 11.1561 11.1561 11.1898 11.1898 13.2750 13.2750 13.3266 13.3266 13.6329 13.6329 13.8270 13.8270 13.9341 13.9341 17.1825 17.1825 18.0568 18.0568 k = 0.5000 0.0234 0.5793 ( 4612 PWs) bands (ev): -64.2190 -64.2190 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 3.0947 3.0947 7.1474 7.1474 7.3099 7.3099 8.6340 8.6340 9.3987 9.3987 9.8457 9.8457 9.8525 9.8525 10.1273 10.1273 10.1708 10.1708 10.2455 10.2455 10.4318 10.4318 10.4490 10.4490 11.1612 11.1612 11.1966 11.1966 13.2751 13.2751 13.3272 13.3272 13.6424 13.6424 13.8336 13.8336 13.9392 13.9392 17.1327 17.1327 18.0173 18.0173 k = 0.5000 0.0312 0.5682 ( 4612 PWs) bands (ev): -64.2190 -64.2190 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 3.0869 3.0869 7.1320 7.1320 7.3171 7.3171 8.6512 8.6512 9.3980 9.3980 9.8467 9.8467 9.8555 9.8555 10.1271 10.1271 10.1763 10.1763 10.2451 10.2451 10.4270 10.4270 10.4503 10.4503 11.1681 11.1681 11.2063 11.2063 13.2743 13.2743 13.3292 13.3292 13.6530 13.6530 13.8343 13.8343 13.9454 13.9454 17.0690 17.0690 17.9695 17.9695 k = 0.5000 0.0390 0.5572 ( 4616 PWs) bands (ev): -64.2194 -64.2194 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 3.0769 3.0769 7.1081 7.1081 7.3317 7.3317 8.6714 8.6714 9.3976 9.3976 9.8477 9.8477 9.8593 9.8593 10.1266 10.1266 10.1832 10.1832 10.2447 10.2447 10.4212 10.4212 10.4515 10.4515 11.1770 11.1770 11.2190 11.2190 13.2714 13.2714 13.3320 13.3320 13.6646 13.6646 13.8361 13.8361 13.9512 13.9512 16.9947 16.9947 17.9170 17.9170 k = 0.5000 0.0468 0.5462 ( 4614 PWs) bands (ev): -64.2192 -64.2192 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 3.0651 3.0651 7.0766 7.0766 7.3538 7.3538 8.6936 8.6936 9.3978 9.3978 9.8489 9.8489 9.8638 9.8638 10.1257 10.1257 10.1911 10.1911 10.2447 10.2447 10.4148 10.4148 10.4527 10.4527 11.1877 11.1877 11.2350 11.2350 13.2681 13.2681 13.3374 13.3374 13.6796 13.6796 13.8449 13.8449 13.9579 13.9579 16.9128 16.9128 17.8635 17.8635 k = 0.5000 0.0546 0.5351 ( 4616 PWs) bands (ev): -64.2195 -64.2195 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 3.0514 3.0514 7.0389 7.0389 7.3827 7.3827 8.7164 8.7164 9.3988 9.3988 9.8501 9.8501 9.8688 9.8688 10.1245 10.1245 10.1995 10.1995 10.2449 10.2449 10.4076 10.4076 10.4539 10.4539 11.2000 11.2000 11.2546 11.2546 13.2640 13.2640 13.3431 13.3431 13.6923 13.6923 13.8555 13.8555 13.9660 13.9660 16.8254 16.8254 17.8094 17.8094 k = 0.5000 0.0624 0.5241 ( 4618 PWs) bands (ev): -64.2197 -64.2197 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 3.0361 3.0361 6.9965 6.9965 7.4173 7.4173 8.7389 8.7389 9.4011 9.4011 9.8514 9.8514 9.8742 9.8742 10.1230 10.1230 10.2077 10.2077 10.2457 10.2457 10.3999 10.3999 10.4549 10.4549 11.2139 11.2139 11.2778 11.2778 13.2603 13.2603 13.3522 13.3522 13.7032 13.7032 13.8675 13.8675 13.9760 13.9760 16.7342 16.7342 17.7557 17.7557 k = 0.5000 0.0702 0.5131 ( 4616 PWs) bands (ev): -64.2195 -64.2195 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 3.0193 3.0193 6.9507 6.9507 7.4572 7.4572 8.7602 8.7602 9.4051 9.4051 9.8529 9.8529 9.8798 9.8798 10.1213 10.1213 10.2146 10.2146 10.2478 10.2478 10.3919 10.3919 10.4559 10.4559 11.2294 11.2294 11.3048 11.3048 13.2580 13.2580 13.3631 13.3631 13.7152 13.7152 13.8841 13.8841 13.9889 13.9889 16.6406 16.6406 17.7027 17.7027 k = 0.5000 0.0780 0.5020 ( 4610 PWs) bands (ev): -64.2189 -64.2189 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 3.0013 3.0013 6.9025 6.9025 7.5015 7.5015 8.7796 8.7796 9.4108 9.4108 9.8545 9.8545 9.8856 9.8856 10.1194 10.1194 10.2195 10.2195 10.2517 10.2517 10.3837 10.3837 10.4568 10.4568 11.2466 11.2466 11.3358 11.3358 13.2567 13.2567 13.3764 13.3764 13.7243 13.7243 13.9082 13.9082 14.0052 14.0052 16.5455 16.5455 17.6511 17.6511 k = 0.5000 0.0858 0.4910 ( 4608 PWs) bands (ev): -64.2187 -64.2187 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 2.9822 2.9822 6.8528 6.8528 7.5497 7.5497 8.7963 8.7963 9.4186 9.4186 9.8562 9.8562 9.8914 9.8914 10.1172 10.1172 10.2218 10.2218 10.2568 10.2568 10.3754 10.3754 10.4574 10.4574 11.2652 11.2652 11.3704 11.3704 13.2569 13.2569 13.3901 13.3901 13.7320 13.7320 13.9305 13.9305 14.0239 14.0239 16.4492 16.4492 17.6001 17.6001 k = 0.5000 0.0936 0.4800 ( 4610 PWs) bands (ev): -64.2189 -64.2189 -34.0293 -34.0293 -32.8312 -32.8312 -32.8307 -32.8307 2.9621 2.9621 6.8022 6.8022 7.6013 7.6013 8.8101 8.8101 9.4284 9.4284 9.8580 9.8580 9.8972 9.8972 10.1149 10.1149 10.2222 10.2222 10.2625 10.2625 10.3673 10.3673 10.4578 10.4578 11.2855 11.2855 11.4085 11.4085 13.2599 13.2599 13.4009 13.4009 13.7369 13.7369 13.9561 13.9561 14.0428 14.0428 16.3521 16.3521 17.5498 17.5498 k = 0.5000 0.1014 0.4689 ( 4610 PWs) bands (ev): -64.2189 -64.2189 -34.0293 -34.0293 -32.8312 -32.8312 -32.8307 -32.8307 2.9414 2.9414 6.7513 6.7513 7.6560 7.6560 8.8210 8.8210 9.4403 9.4403 9.8598 9.8598 9.9030 9.9030 10.1125 10.1125 10.2215 10.2215 10.2675 10.2675 10.3597 10.3597 10.4579 10.4579 11.3073 11.3073 11.4498 11.4498 13.2638 13.2638 13.4143 13.4143 13.7401 13.7401 13.9869 13.9869 14.0649 14.0649 16.2550 16.2550 17.5008 17.5008 k = 0.5000 0.1092 0.4579 ( 4608 PWs) bands (ev): -64.2187 -64.2187 -34.0293 -34.0293 -32.8312 -32.8312 -32.8307 -32.8307 2.9201 2.9201 6.7005 6.7005 7.7131 7.7131 8.8287 8.8287 9.4541 9.4541 9.8617 9.8617 9.9087 9.9087 10.1099 10.1099 10.2200 10.2200 10.2712 10.2712 10.3528 10.3528 10.4576 10.4576 11.3310 11.3310 11.4938 11.4938 13.2705 13.2705 13.4320 13.4320 13.7424 13.7424 14.0186 14.0186 14.0888 14.0888 16.1586 16.1586 17.4530 17.4530 k = 0.5000 0.1170 0.4469 ( 4606 PWs) bands (ev): -64.2185 -64.2185 -34.0293 -34.0293 -32.8312 -32.8312 -32.8307 -32.8307 2.8985 2.8985 6.6502 6.6502 7.7724 7.7724 8.8337 8.8337 9.4696 9.4696 9.8637 9.8637 9.9143 9.9143 10.1073 10.1073 10.2180 10.2180 10.2731 10.2731 10.3468 10.3468 10.4569 10.4569 11.3564 11.3564 11.5399 11.5399 13.2794 13.2794 13.4471 13.4471 13.7433 13.7433 14.0565 14.0565 14.1155 14.1155 16.0628 16.0628 17.4057 17.4057 k = 0.5000 0.1248 0.4358 ( 4608 PWs) bands (ev): -64.2187 -64.2187 -34.0293 -34.0293 -32.8312 -32.8312 -32.8307 -32.8307 2.8766 2.8766 6.6007 6.6007 7.8332 7.8332 8.8361 8.8361 9.4865 9.4865 9.8658 9.8658 9.9197 9.9197 10.1046 10.1046 10.2155 10.2155 10.2729 10.2729 10.3418 10.3418 10.4558 10.4558 11.3836 11.3836 11.5874 11.5874 13.2887 13.2887 13.4615 13.4615 13.7436 13.7436 14.0970 14.0970 14.1429 14.1429 15.9679 15.9679 17.3581 17.3581 k = 0.5000 0.1326 0.4248 ( 4614 PWs) bands (ev): -64.2193 -64.2193 -34.0293 -34.0293 -32.8312 -32.8312 -32.8307 -32.8307 2.8548 2.8548 6.5523 6.5523 7.8954 7.8954 8.8361 8.8361 9.5046 9.5046 9.8678 9.8678 9.9249 9.9249 10.1018 10.1018 10.2126 10.2126 10.2707 10.2707 10.3377 10.3377 10.4542 10.4542 11.4128 11.4128 11.6353 11.6353 13.3024 13.3024 13.4709 13.4709 13.7426 13.7426 14.1387 14.1387 14.1733 14.1733 15.8740 15.8740 17.3107 17.3107 k = 0.5000 0.1404 0.4138 ( 4614 PWs) bands (ev): -64.2193 -64.2193 -34.0292 -34.0292 -32.8312 -32.8312 -32.8306 -32.8306 2.8332 2.8332 6.5053 6.5053 7.9582 7.9582 8.8344 8.8344 9.5237 9.5237 9.8700 9.8700 9.9300 9.9300 10.0991 10.0991 10.2095 10.2095 10.2669 10.2669 10.3344 10.3344 10.4520 10.4520 11.4439 11.4439 11.6833 11.6833 13.3194 13.3194 13.4850 13.4850 13.7420 13.7420 14.1851 14.1851 14.2056 14.2056 15.7826 15.7826 17.2649 17.2649 k = 0.5000 0.1482 0.4027 ( 4612 PWs) bands (ev): -64.2191 -64.2191 -34.0292 -34.0292 -32.8312 -32.8312 -32.8306 -32.8306 2.8118 2.8118 6.4599 6.4599 8.0211 8.0211 8.8311 8.8311 9.5434 9.5434 9.8722 9.8722 9.9348 9.9348 10.0963 10.0963 10.2061 10.2061 10.2617 10.2617 10.3317 10.3317 10.4493 10.4493 11.4767 11.4767 11.7305 11.7305 13.3410 13.3410 13.5006 13.5006 13.7422 13.7422 14.2263 14.2263 14.2452 14.2452 15.6940 15.6940 17.2211 17.2211 k = 0.5000 0.1560 0.3917 ( 4612 PWs) bands (ev): -64.2191 -64.2191 -34.0292 -34.0292 -32.8312 -32.8312 -32.8306 -32.8306 2.7909 2.7909 6.4162 6.4162 8.0840 8.0840 8.8265 8.8265 9.5636 9.5636 9.8745 9.8745 9.9395 9.9395 10.0936 10.0936 10.2024 10.2024 10.2555 10.2555 10.3292 10.3292 10.4460 10.4460 11.5118 11.5118 11.7760 11.7760 13.3631 13.3631 13.5143 13.5143 13.7412 13.7412 14.2609 14.2609 14.2991 14.2991 15.6087 15.6087 17.1754 17.1754 k = 0.5000 0.1638 0.3807 ( 4606 PWs) bands (ev): -64.2185 -64.2185 -34.0292 -34.0292 -32.8312 -32.8312 -32.8306 -32.8306 2.7705 2.7705 6.3743 6.3743 8.1464 8.1464 8.8211 8.8211 9.5840 9.5840 9.8769 9.8769 9.9440 9.9440 10.0910 10.0910 10.1985 10.1985 10.2485 10.2485 10.3270 10.3270 10.4422 10.4422 11.5491 11.5491 11.8196 11.8196 13.3874 13.3874 13.5313 13.5313 13.7405 13.7405 14.2962 14.2962 14.3595 14.3595 15.5285 15.5285 17.1300 17.1300 k = 0.5000 0.1716 0.3696 ( 4608 PWs) bands (ev): -64.2187 -64.2187 -34.0292 -34.0292 -32.8312 -32.8312 -32.8305 -32.8305 2.7508 2.7508 6.3345 6.3345 8.2075 8.2075 8.8149 8.8149 9.6045 9.6045 9.8792 9.8792 9.9483 9.9483 10.0884 10.0884 10.1943 10.1943 10.2407 10.2407 10.3248 10.3248 10.4378 10.4378 11.5880 11.5880 11.8601 11.8601 13.4129 13.4129 13.5439 13.5439 13.7385 13.7385 14.3266 14.3266 14.4243 14.4243 15.4539 15.4539 17.0832 17.0832 k = 0.5000 0.1794 0.3586 ( 4604 PWs) bands (ev): -64.2183 -64.2183 -34.0292 -34.0292 -32.8311 -32.8311 -32.8305 -32.8305 2.7319 2.7319 6.2969 6.2969 8.2672 8.2672 8.8084 8.8084 9.6249 9.6249 9.8815 9.8815 9.9524 9.9524 10.0860 10.0860 10.1899 10.1899 10.2324 10.2324 10.3228 10.3228 10.4331 10.4331 11.6288 11.6288 11.8972 11.8972 13.4418 13.4418 13.5583 13.5583 13.7398 13.7398 14.3533 14.3533 14.4947 14.4947 15.3877 15.3877 17.0360 17.0360 k = 0.5000 0.1872 0.3476 ( 4602 PWs) bands (ev): -64.2181 -64.2181 -34.0292 -34.0292 -32.8311 -32.8311 -32.8305 -32.8305 2.7139 2.7139 6.2614 6.2614 8.3249 8.3249 8.8017 8.8017 9.6451 9.6451 9.8838 9.8838 9.9565 9.9565 10.0838 10.0838 10.1853 10.1853 10.2235 10.2235 10.3210 10.3210 10.4279 10.4279 11.6713 11.6713 11.9313 11.9313 13.4686 13.4686 13.5725 13.5725 13.7392 13.7392 14.3756 14.3756 14.5710 14.5710 15.3322 15.3322 16.9867 16.9867 k = 0.5000 0.1951 0.3365 ( 4602 PWs) bands (ev): -64.2181 -64.2181 -34.0292 -34.0292 -32.8312 -32.8312 -32.8305 -32.8305 2.6969 2.6969 6.2282 6.2282 8.3802 8.3802 8.7950 8.7950 9.6651 9.6651 9.8859 9.8859 9.9605 9.9605 10.0818 10.0818 10.1805 10.1805 10.2141 10.2141 10.3194 10.3194 10.4224 10.4224 11.7153 11.7153 11.9620 11.9620 13.4943 13.4943 13.5846 13.5846 13.7376 13.7376 14.3896 14.3896 14.6540 14.6540 15.2905 15.2905 16.9351 16.9351 k = 0.5000 0.2029 0.3255 ( 4596 PWs) bands (ev): -64.2175 -64.2175 -34.0291 -34.0291 -32.8311 -32.8311 -32.8304 -32.8304 2.6810 2.6810 6.1975 6.1975 8.4327 8.4327 8.7884 8.7884 9.6847 9.6847 9.8878 9.8878 9.9647 9.9647 10.0800 10.0800 10.1754 10.1754 10.2044 10.2044 10.3180 10.3180 10.4167 10.4167 11.7604 11.7604 11.9891 11.9891 13.5218 13.5218 13.5991 13.5991 13.7392 13.7392 14.3919 14.3919 14.7429 14.7429 15.2660 15.2660 16.8813 16.8813 k = 0.5000 0.2107 0.3145 ( 4594 PWs) bands (ev): -64.2173 -64.2173 -34.0291 -34.0291 -32.8311 -32.8311 -32.8304 -32.8304 2.6662 2.6662 6.1692 6.1692 8.4818 8.4818 8.7821 8.7821 9.7038 9.7038 9.8893 9.8893 9.9692 9.9692 10.0785 10.0785 10.1698 10.1698 10.1945 10.1945 10.3168 10.3168 10.4110 10.4110 11.8056 11.8056 12.0128 12.0128 13.5459 13.5459 13.6167 13.6167 13.7385 13.7385 14.3793 14.3793 14.8357 14.8357 15.2608 15.2608 16.8245 16.8245 k = 0.5000 0.2185 0.3034 ( 4598 PWs) bands (ev): -64.2177 -64.2177 -34.0291 -34.0291 -32.8311 -32.8311 -32.8304 -32.8304 2.6527 2.6527 6.1434 6.1434 8.5272 8.5272 8.7763 8.7763 9.7222 9.7222 9.8904 9.8904 9.9740 9.9740 10.0773 10.0773 10.1634 10.1634 10.1848 10.1848 10.3159 10.3159 10.4052 10.4052 11.8505 11.8505 12.0334 12.0334 13.5656 13.5656 13.6306 13.6306 13.7372 13.7372 14.3531 14.3531 14.9351 14.9351 15.2740 15.2740 16.7627 16.7627 k = 0.5000 0.2263 0.2924 ( 4598 PWs) bands (ev): -64.2177 -64.2177 -34.0291 -34.0291 -32.8311 -32.8311 -32.8304 -32.8304 2.6404 2.6404 6.1203 6.1203 8.5685 8.5685 8.7712 8.7712 9.7400 9.7400 9.8907 9.8907 9.9794 9.9794 10.0764 10.0764 10.1557 10.1557 10.1761 10.1761 10.3151 10.3151 10.3996 10.3996 11.8954 11.8954 12.0508 12.0508 13.5840 13.5840 13.6450 13.6450 13.7375 13.7375 14.3177 14.3177 15.0386 15.0386 15.3062 15.3062 16.6972 16.6972 k = 0.5000 0.2341 0.2814 ( 4598 PWs) bands (ev): -64.2177 -64.2177 -34.0291 -34.0291 -32.8311 -32.8311 -32.8304 -32.8304 2.6294 2.6294 6.0996 6.0996 8.6053 8.6053 8.7669 8.7669 9.7570 9.7570 9.8904 9.8904 9.9856 9.9856 10.0758 10.0758 10.1464 10.1464 10.1689 10.1689 10.3146 10.3146 10.3943 10.3943 11.9387 11.9387 12.0663 12.0663 13.5989 13.5989 13.6604 13.6604 13.7384 13.7384 14.2743 14.2743 15.1464 15.1464 15.3535 15.3535 16.6273 16.6273 k = 0.5000 0.2419 0.2703 ( 4596 PWs) bands (ev): -64.2175 -64.2175 -34.0291 -34.0291 -32.8311 -32.8311 -32.8304 -32.8304 2.6198 2.6198 6.0817 6.0817 8.6371 8.6371 8.7637 8.7637 9.7730 9.7730 9.8892 9.8892 9.9925 9.9925 10.0755 10.0755 10.1355 10.1355 10.1631 10.1631 10.3142 10.3142 10.3895 10.3895 11.9790 11.9790 12.0796 12.0796 13.6133 13.6133 13.6757 13.6757 13.7409 13.7409 14.2255 14.2255 15.2575 15.2575 15.4149 15.4149 16.5521 16.5521 k = 0.5000 0.2497 0.2593 ( 4600 PWs) bands (ev): -64.2180 -64.2180 -34.0291 -34.0291 -32.8311 -32.8311 -32.8304 -32.8304 2.6116 2.6116 6.0665 6.0665 8.6633 8.6633 8.7619 8.7619 9.7880 9.7880 9.8869 9.8869 10.0002 10.0002 10.0753 10.0753 10.1238 10.1238 10.1583 10.1583 10.3139 10.3139 10.3851 10.3851 12.0152 12.0152 12.0898 12.0898 13.6256 13.6256 13.6905 13.6905 13.7415 13.7415 14.1753 14.1753 15.3672 15.3672 15.4867 15.4867 16.4709 16.4709 k = 0.5000 0.2575 0.2483 ( 4598 PWs) bands (ev): -64.2178 -64.2178 -34.0291 -34.0291 -32.8311 -32.8311 -32.8304 -32.8304 2.6049 2.6049 6.0541 6.0541 8.6836 8.6836 8.7617 8.7617 9.8019 9.8019 9.8838 9.8838 10.0087 10.0087 10.0754 10.0754 10.1117 10.1117 10.1544 10.1544 10.3137 10.3137 10.3815 10.3815 12.0470 12.0470 12.0980 12.0980 13.6374 13.6374 13.7081 13.7081 13.7436 13.7436 14.1278 14.1278 15.4747 15.4747 15.5710 15.5710 16.3849 16.3849 k = 0.5000 0.2653 0.2372 ( 4610 PWs) bands (ev): -64.2190 -64.2190 -34.0291 -34.0291 -32.8312 -32.8312 -32.8304 -32.8304 2.5996 2.5996 6.0443 6.0443 8.6977 8.6977 8.7632 8.7632 9.8142 9.8142 9.8797 9.8797 10.0177 10.0177 10.0751 10.0751 10.0997 10.0997 10.1512 10.1512 10.3135 10.3135 10.3785 10.3785 12.0729 12.0729 12.1027 12.1027 13.6428 13.6428 13.7204 13.7204 13.7417 13.7417 14.0846 14.0846 15.5733 15.5733 15.6652 15.6652 16.2939 16.2939 k = 0.5000 0.2731 0.2262 ( 4610 PWs) bands (ev): -64.2191 -64.2191 -34.0291 -34.0291 -32.8312 -32.8312 -32.8304 -32.8304 2.5958 2.5958 6.0374 6.0374 8.7063 8.7063 8.7659 8.7659 9.8248 9.8248 9.8752 9.8752 10.0267 10.0267 10.0753 10.0753 10.0885 10.0885 10.1489 10.1489 10.3134 10.3134 10.3763 10.3763 12.0921 12.0921 12.1075 12.1075 13.6489 13.6489 13.7333 13.7333 13.7436 13.7436 14.0495 14.0495 15.6667 15.6667 15.7690 15.7690 16.2048 16.2048 k = 0.5000 0.2809 0.2152 ( 4614 PWs) bands (ev): -64.2195 -64.2195 -34.0291 -34.0291 -32.8312 -32.8312 -32.8304 -32.8304 2.5936 2.5936 6.0331 6.0331 8.7106 8.7106 8.7684 8.7684 9.8325 9.8325 9.8712 9.8712 10.0346 10.0346 10.0752 10.0752 10.0794 10.0794 10.1475 10.1475 10.3134 10.3134 10.3750 10.3750 12.1024 12.1024 12.1112 12.1112 13.6508 13.6508 13.7405 13.7405 13.7459 13.7459 14.0259 14.0259 15.7422 15.7422 15.8733 15.8733 16.1273 16.1273 k = 0.5000 0.2887 0.2041 ( 4626 PWs) bands (ev): -64.2207 -64.2207 -34.0292 -34.0292 -32.8312 -32.8312 -32.8304 -32.8304 2.5928 2.5928 6.0316 6.0316 8.7118 8.7118 8.7693 8.7693 9.8354 9.8354 9.8694 9.8694 10.0381 10.0381 10.0744 10.0744 10.0758 10.0758 10.1470 10.1470 10.3134 10.3134 10.3746 10.3746 12.1041 12.1041 12.1123 12.1123 13.6481 13.6481 13.7391 13.7391 13.7449 13.7449 14.0175 14.0175 15.7731 15.7731 15.9399 15.9399 16.0622 16.0622 k = 0.5000 0.2887 0.2041 ( 4626 PWs) bands (ev): -64.2207 -64.2207 -34.0292 -34.0292 -32.8312 -32.8312 -32.8304 -32.8304 2.5928 2.5928 6.0316 6.0316 8.7118 8.7118 8.7693 8.7693 9.8354 9.8354 9.8694 9.8694 10.0381 10.0381 10.0744 10.0744 10.0758 10.0758 10.1470 10.1470 10.3134 10.3134 10.3746 10.3746 12.1041 12.1041 12.1123 12.1123 13.6481 13.6481 13.7391 13.7391 13.7449 13.7449 14.0175 14.0175 15.7731 15.7731 15.9399 15.9399 16.0622 16.0622 k = 0.4961 0.2864 0.2169 ( 4613 PWs) bands (ev): -64.2194 -64.2194 -34.0291 -34.0291 -32.8312 -32.8312 -32.8304 -32.8304 2.5936 2.5936 6.0331 6.0331 8.7106 8.7106 8.7684 8.7684 9.8325 9.8325 9.8712 9.8712 10.0346 10.0346 10.0753 10.0753 10.0794 10.0794 10.1475 10.1475 10.3134 10.3134 10.3750 10.3750 12.1024 12.1024 12.1115 12.1115 13.6511 13.6511 13.7405 13.7405 13.7461 13.7461 14.0259 14.0259 15.7425 15.7425 15.8733 15.8733 16.1279 16.1279 k = 0.4922 0.2842 0.2296 ( 4607 PWs) bands (ev): -64.2187 -64.2187 -34.0291 -34.0291 -32.8312 -32.8312 -32.8304 -32.8304 2.5958 2.5958 6.0374 6.0374 8.7063 8.7063 8.7660 8.7660 9.8248 9.8248 9.8753 9.8753 10.0267 10.0267 10.0754 10.0754 10.0886 10.0886 10.1489 10.1489 10.3134 10.3134 10.3763 10.3763 12.0920 12.0920 12.1079 12.1079 13.6497 13.6497 13.7336 13.7336 13.7457 13.7457 14.0496 14.0496 15.6673 15.6673 15.7682 15.7682 16.2070 16.2070 k = 0.4883 0.2819 0.2424 ( 4606 PWs) bands (ev): -64.2186 -64.2186 -34.0291 -34.0291 -32.8312 -32.8312 -32.8304 -32.8304 2.5996 2.5996 6.0444 6.0444 8.6976 8.6976 8.7632 8.7632 9.8142 9.8142 9.8797 9.8797 10.0176 10.0176 10.0753 10.0753 10.0997 10.0997 10.1512 10.1512 10.3135 10.3135 10.3785 10.3785 12.0724 12.0724 12.1032 12.1032 13.6444 13.6444 13.7214 13.7214 13.7443 13.7443 14.0847 14.0847 15.5764 15.5764 15.6605 15.6605 16.3007 16.3007 k = 0.4844 0.2797 0.2552 ( 4599 PWs) bands (ev): -64.2179 -64.2179 -34.0291 -34.0291 -32.8311 -32.8311 -32.8304 -32.8304 2.6049 2.6049 6.0542 6.0542 8.6836 8.6836 8.7617 8.7617 9.8018 9.8018 9.8838 9.8838 10.0086 10.0086 10.0755 10.0755 10.1116 10.1116 10.1544 10.1544 10.3137 10.3137 10.3815 10.3815 12.0471 12.0471 12.0976 12.0976 13.6366 13.6366 13.7095 13.7095 13.7420 13.7420 14.1283 14.1283 15.4841 15.4841 15.5571 15.5571 16.4003 16.4003 k = 0.4805 0.2774 0.2679 ( 4594 PWs) bands (ev): -64.2173 -64.2173 -34.0291 -34.0291 -32.8311 -32.8311 -32.8303 -32.8303 2.6117 2.6117 6.0666 6.0666 8.6631 8.6631 8.7621 8.7621 9.7880 9.7880 9.8870 9.8870 10.0000 10.0000 10.0760 10.0760 10.1235 10.1235 10.1585 10.1585 10.3139 10.3139 10.3852 10.3852 12.0145 12.0145 12.0916 12.0916 13.6248 13.6248 13.6970 13.6970 13.7397 13.7397 14.1763 14.1763 15.3919 15.3919 15.4573 15.4573 16.4997 16.4997 k = 0.4766 0.2751 0.2807 ( 4598 PWs) bands (ev): -64.2178 -64.2178 -34.0291 -34.0291 -32.8311 -32.8311 -32.8304 -32.8304 2.6199 2.6199 6.0819 6.0819 8.6364 8.6364 8.7639 8.7639 9.7729 9.7729 9.8892 9.8892 9.9921 9.9921 10.0766 10.0766 10.1347 10.1347 10.1634 10.1634 10.3142 10.3142 10.3895 10.3895 11.9766 11.9766 12.0818 12.0818 13.6074 13.6074 13.6859 13.6859 13.7356 13.7356 14.2257 14.2257 15.2997 15.2997 15.3597 15.3597 16.5980 16.5980 k = 0.4727 0.2729 0.2934 ( 4595 PWs) bands (ev): -64.2174 -64.2174 -34.0291 -34.0291 -32.8311 -32.8311 -32.8304 -32.8304 2.6295 2.6295 6.0998 6.0998 8.6043 8.6043 8.7676 8.7676 9.7568 9.7568 9.8904 9.8904 9.9849 9.9849 10.0776 10.0776 10.1449 10.1449 10.1695 10.1695 10.3146 10.3146 10.3944 10.3944 11.9343 11.9343 12.0716 12.0716 13.5905 13.5905 13.6778 13.6778 13.7316 13.7316 14.2729 14.2729 15.2141 15.2141 15.2702 15.2702 16.6962 16.6962 k = 0.4688 0.2706 0.3062 ( 4600 PWs) bands (ev): -64.2179 -64.2179 -34.0291 -34.0291 -32.8311 -32.8311 -32.8304 -32.8304 2.6405 2.6405 6.1204 6.1204 8.5668 8.5668 8.7723 8.7723 9.7398 9.7398 9.8907 9.8907 9.9785 9.9785 10.0790 10.0790 10.1536 10.1536 10.1769 10.1769 10.3152 10.3152 10.3997 10.3997 11.8894 11.8894 12.0583 12.0583 13.5661 13.5661 13.6710 13.6710 13.7264 13.7264 14.3162 14.3162 15.1310 15.1310 15.1875 15.1875 16.7926 16.7926 k = 0.4648 0.2684 0.3189 ( 4604 PWs) bands (ev): -64.2184 -64.2184 -34.0292 -34.0292 -32.8312 -32.8312 -32.8304 -32.8304 2.6528 2.6528 6.1437 6.1437 8.5248 8.5248 8.7781 8.7781 9.7219 9.7219 9.8902 9.8902 9.9727 9.9727 10.0809 10.0809 10.1608 10.1608 10.1854 10.1854 10.3159 10.3159 10.4053 10.4053 11.8427 11.8427 12.0438 12.0438 13.5381 13.5381 13.6655 13.6655 13.7194 13.7194 14.3504 14.3504 15.0520 15.0520 15.1205 15.1205 16.8907 16.8907 k = 0.4609 0.2661 0.3317 ( 4602 PWs) bands (ev): -64.2182 -64.2182 -34.0292 -34.0292 -32.8311 -32.8311 -32.8304 -32.8304 2.6664 2.6664 6.1695 6.1695 8.4783 8.4783 8.7849 8.7849 9.7033 9.7033 9.8889 9.8889 9.9677 9.9677 10.0834 10.0834 10.1669 10.1669 10.1944 10.1944 10.3169 10.3169 10.4111 10.4111 11.7944 11.7944 12.0284 12.0284 13.5080 13.5080 13.6646 13.6646 13.7164 13.7164 14.3708 14.3708 14.9747 14.9747 15.0737 15.0737 16.9895 16.9895 k = 0.4570 0.2639 0.3445 ( 4600 PWs) bands (ev): -64.2179 -64.2179 -34.0292 -34.0292 -32.8311 -32.8311 -32.8305 -32.8305 2.6812 2.6812 6.1979 6.1979 8.4278 8.4278 8.7925 8.7925 9.6842 9.6842 9.8871 9.8871 9.9632 9.9632 10.0863 10.0863 10.1725 10.1725 10.2035 10.2035 10.3181 10.3181 10.4168 10.4168 11.7461 11.7461 12.0116 12.0116 13.4732 13.4732 13.6635 13.6635 13.7129 13.7129 14.3781 14.3781 14.8984 14.8984 15.0495 15.0495 17.0906 17.0906 k = 0.4531 0.2616 0.3572 ( 4602 PWs) bands (ev): -64.2181 -64.2181 -34.0292 -34.0292 -32.8311 -32.8311 -32.8305 -32.8305 2.6972 2.6972 6.2287 6.2287 8.3737 8.3737 8.8009 8.8009 9.6644 9.6644 9.8847 9.8847 9.9592 9.9592 10.0896 10.0896 10.1777 10.1777 10.2121 10.2121 10.3196 10.3196 10.4225 10.4225 11.6976 11.6976 11.9929 11.9929 13.4350 13.4350 13.6622 13.6622 13.7083 13.7083 14.3689 14.3689 14.8234 14.8234 15.0456 15.0456 17.1942 17.1942 k = 0.4492 0.2594 0.3700 ( 4607 PWs) bands (ev): -64.2186 -64.2186 -34.0292 -34.0292 -32.8312 -32.8312 -32.8305 -32.8305 2.7142 2.7142 6.2618 6.2618 8.3161 8.3161 8.8100 8.8100 9.6442 9.6442 9.8818 9.8818 9.9555 9.9555 10.0932 10.0932 10.1826 10.1826 10.2201 10.2201 10.3215 10.3215 10.4279 10.4279 11.6493 11.6493 11.9731 11.9731 13.3939 13.3939 13.6600 13.6600 13.7043 13.7043 14.3444 14.3444 14.7510 14.7510 15.0580 15.0580 17.3012 17.3012 k = 0.4453 0.2571 0.3827 ( 4607 PWs) bands (ev): -64.2186 -64.2186 -34.0292 -34.0292 -32.8312 -32.8312 -32.8305 -32.8305 2.7321 2.7321 6.2972 6.2972 8.2557 8.2557 8.8197 8.8197 9.6237 9.6237 9.8788 9.8788 9.9521 9.9521 10.0971 10.0971 10.1876 10.1876 10.2273 10.2273 10.3237 10.3237 10.4330 10.4330 11.6027 11.6027 11.9523 11.9523 13.3488 13.3488 13.6593 13.6593 13.7026 13.7026 14.3161 14.3161 14.6821 14.6821 15.0808 15.0808 17.4128 17.4128 k = 0.4414 0.2548 0.3955 ( 4605 PWs) bands (ev): -64.2184 -64.2184 -34.0292 -34.0292 -32.8312 -32.8312 -32.8305 -32.8305 2.7510 2.7510 6.3348 6.3348 8.1929 8.1929 8.8301 8.8301 9.6028 9.6028 9.8754 9.8754 9.9490 9.9490 10.1013 10.1013 10.1925 10.1925 10.2336 10.2336 10.3262 10.3262 10.4375 10.4375 11.5575 11.5575 11.9300 11.9300 13.3030 13.3030 13.6601 13.6601 13.7019 13.7019 14.2833 14.2833 14.6157 14.6157 15.1109 15.1109 17.5302 17.5302 k = 0.4375 0.2526 0.4082 ( 4613 PWs) bands (ev): -64.2192 -64.2192 -34.0292 -34.0292 -32.8312 -32.8312 -32.8306 -32.8306 2.7706 2.7706 6.3744 6.3744 8.1277 8.1277 8.8410 8.8410 9.5817 9.5817 9.8719 9.8719 9.9460 9.9460 10.1057 10.1057 10.1972 10.1972 10.2391 10.2391 10.3290 10.3290 10.4415 10.4415 11.5137 11.5137 11.9062 11.9062 13.2537 13.2537 13.6583 13.6583 13.7013 13.7013 14.2436 14.2436 14.5499 14.5499 15.1430 15.1430 17.6524 17.6524 k = 0.4336 0.2503 0.4210 ( 4609 PWs) bands (ev): -64.2188 -64.2188 -34.0292 -34.0292 -32.8312 -32.8312 -32.8306 -32.8306 2.7908 2.7908 6.4160 6.4160 8.0612 8.0612 8.8525 8.8525 9.5605 9.5605 9.8682 9.8682 9.9431 9.9431 10.1104 10.1104 10.2018 10.2018 10.2439 10.2439 10.3321 10.3321 10.4449 10.4449 11.4724 11.4724 11.8819 11.8819 13.2054 13.2054 13.6589 13.6589 13.7053 13.7053 14.2098 14.2098 14.4888 14.4888 15.1762 15.1762 17.7810 17.7810 k = 0.4297 0.2481 0.4338 ( 4605 PWs) bands (ev): -64.2184 -64.2184 -34.0292 -34.0292 -32.8312 -32.8312 -32.8306 -32.8306 2.8116 2.8116 6.4592 6.4592 7.9935 7.9935 8.8646 8.8646 9.5393 9.5393 9.8645 9.8645 9.9403 9.9403 10.1152 10.1152 10.2061 10.2061 10.2482 10.2482 10.3354 10.3354 10.4475 10.4475 11.4334 11.4334 11.8568 11.8568 13.1571 13.1571 13.6587 13.6587 13.7108 13.7108 14.1760 14.1760 14.4312 14.4312 15.2082 15.2082 17.9151 17.9151 k = 0.4258 0.2458 0.4465 ( 4603 PWs) bands (ev): -64.2182 -64.2182 -34.0292 -34.0292 -32.8312 -32.8312 -32.8306 -32.8306 2.8327 2.8327 6.5038 6.5038 7.9252 7.9252 8.8771 8.8771 9.5182 9.5182 9.8608 9.8608 9.9375 9.9375 10.1201 10.1201 10.2100 10.2100 10.2520 10.2520 10.3388 10.3388 10.4494 10.4494 11.3969 11.3969 11.8310 11.8310 13.1087 13.1087 13.6585 13.6585 13.7159 13.7159 14.1428 14.1428 14.3763 14.3763 15.2378 15.2378 18.0537 18.0537 k = 0.4219 0.2436 0.4593 ( 4612 PWs) bands (ev): -64.2191 -64.2191 -34.0293 -34.0293 -32.8312 -32.8312 -32.8307 -32.8307 2.8540 2.8540 6.5494 6.5494 7.8571 7.8571 8.8897 8.8897 9.4972 9.4972 9.8569 9.8569 9.9346 9.9346 10.1250 10.1250 10.2131 10.2131 10.2554 10.2554 10.3423 10.3423 10.4506 10.4506 11.3630 11.3630 11.8036 11.8036 13.0582 13.0582 13.6562 13.6562 13.7210 13.7210 14.1095 14.1095 14.3184 14.3184 15.2631 15.2631 18.1968 18.1968 k = 0.4180 0.2413 0.4720 ( 4608 PWs) bands (ev): -64.2187 -64.2187 -34.0293 -34.0293 -32.8312 -32.8312 -32.8307 -32.8307 2.8753 2.8753 6.5957 6.5957 7.7900 7.7900 8.9030 8.9030 9.4765 9.4765 9.8531 9.8531 9.9317 9.9317 10.1299 10.1299 10.2154 10.2154 10.2588 10.2588 10.3459 10.3459 10.4511 10.4511 11.3322 11.3322 11.7764 11.7764 13.0120 13.0120 13.6558 13.6558 13.7303 13.7303 14.0821 14.0821 14.2669 14.2669 15.2869 15.2869 18.3428 18.3428 k = 0.4141 0.2391 0.4848 ( 4600 PWs) bands (ev): -64.2178 -64.2178 -34.0293 -34.0293 -32.8312 -32.8312 -32.8306 -32.8306 2.8964 2.8964 6.6419 6.6419 7.7248 7.7248 8.9166 8.9166 9.4564 9.4564 9.8494 9.8494 9.9288 9.9288 10.1349 10.1349 10.2167 10.2167 10.2623 10.2623 10.3496 10.3496 10.4510 10.4510 11.3042 11.3042 11.7493 11.7493 12.9673 12.9673 13.6592 13.6592 13.7386 13.7386 14.0567 14.0567 14.2214 14.2214 15.3072 15.3072 18.4879 18.4879 k = 0.4102 0.2368 0.4976 ( 4600 PWs) bands (ev): -64.2178 -64.2178 -34.0293 -34.0293 -32.8312 -32.8312 -32.8307 -32.8307 2.9172 2.9172 6.6872 6.6872 7.6625 7.6625 8.9303 8.9303 9.4368 9.4368 9.8456 9.8456 9.9257 9.9257 10.1396 10.1396 10.2168 10.2168 10.2658 10.2658 10.3533 10.3533 10.4503 10.4503 11.2791 11.2791 11.7217 11.7217 12.9217 12.9217 13.6610 13.6610 13.7454 13.7454 14.0338 14.0338 14.1751 14.1751 15.3223 15.3223 18.6237 18.6237 k = 0.4062 0.2345 0.5103 ( 4600 PWs) bands (ev): -64.2178 -64.2178 -34.0293 -34.0293 -32.8312 -32.8312 -32.8307 -32.8307 2.9373 2.9373 6.7306 6.7306 7.6047 7.6047 8.9442 8.9442 9.4178 9.4178 9.8419 9.8419 9.9226 9.9226 10.1441 10.1441 10.2158 10.2158 10.2694 10.2694 10.3570 10.3570 10.4494 10.4494 11.2570 11.2570 11.6939 11.6939 12.8793 12.8793 13.6623 13.6623 13.7548 13.7548 14.0097 14.0097 14.1310 14.1310 15.3346 15.3346 18.7270 18.7270 k = 0.4023 0.2323 0.5231 ( 4602 PWs) bands (ev): -64.2180 -64.2180 -34.0293 -34.0293 -32.8312 -32.8312 -32.8307 -32.8307 2.9566 2.9566 6.7703 6.7703 7.5536 7.5536 8.9581 8.9581 9.3995 9.3995 9.8381 9.8381 9.9192 9.9192 10.1482 10.1482 10.2137 10.2137 10.2731 10.2731 10.3607 10.3607 10.4485 10.4485 11.2379 11.2379 11.6660 11.6660 12.8389 12.8389 13.6636 13.6636 13.7612 13.7612 13.9909 13.9909 14.0871 14.0871 15.3434 15.3434 18.7535 18.7535 k = 0.3984 0.2300 0.5358 ( 4606 PWs) bands (ev): -64.2184 -64.2184 -34.0293 -34.0293 -32.8312 -32.8312 -32.8307 -32.8307 2.9747 2.9747 6.8042 6.8042 7.5114 7.5114 8.9721 8.9721 9.3823 9.3823 9.8343 9.8343 9.9157 9.9157 10.1519 10.1519 10.2106 10.2106 10.2769 10.2769 10.3640 10.3640 10.4478 10.4478 11.2216 11.2216 11.6383 11.6383 12.7999 12.7999 13.6654 13.6654 13.7685 13.7685 13.9723 13.9723 14.0454 14.0454 15.3484 15.3484 18.6979 18.6979 k = 0.3945 0.2278 0.5486 ( 4600 PWs) bands (ev): -64.2178 -64.2178 -34.0293 -34.0293 -32.8312 -32.8312 -32.8307 -32.8307 2.9915 2.9915 6.8296 6.8296 7.4813 7.4813 8.9861 8.9861 9.3661 9.3661 9.8306 9.8306 9.9119 9.9119 10.1549 10.1549 10.2067 10.2067 10.2810 10.2810 10.3670 10.3670 10.4479 10.4479 11.2082 11.2082 11.6111 11.6111 12.7639 12.7639 13.6703 13.6703 13.7789 13.7789 13.9606 13.9606 14.0083 14.0083 15.3507 15.3507 18.6042 18.6042 k = 0.3906 0.2255 0.5613 ( 4602 PWs) bands (ev): -64.2180 -64.2180 -34.0293 -34.0293 -32.8312 -32.8312 -32.8307 -32.8307 3.0067 3.0067 6.8441 6.8441 7.4659 7.4659 8.9999 8.9999 9.3510 9.3510 9.8269 9.8269 9.9079 9.9079 10.1572 10.1572 10.2022 10.2022 10.2853 10.2853 10.3693 10.3693 10.4490 10.4490 11.1974 11.1974 11.5841 11.5841 12.7296 12.7296 13.6745 13.6745 13.7866 13.7866 13.9473 13.9473 13.9704 13.9704 15.3494 15.3494 18.4974 18.4974 k = 0.3867 0.2233 0.5741 ( 4612 PWs) bands (ev): -64.2190 -64.2190 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 3.0198 3.0198 6.8461 6.8461 7.4670 7.4670 9.0133 9.0133 9.3375 9.3375 9.8231 9.8231 9.9033 9.9033 10.1586 10.1586 10.1971 10.1971 10.2899 10.2899 10.3708 10.3708 10.4515 10.4515 11.1890 11.1890 11.5574 11.5574 12.6965 12.6965 13.6787 13.6787 13.7886 13.7886 13.9264 13.9264 13.9406 13.9406 15.3447 15.3447 18.3864 18.3864 k = 0.3828 0.2210 0.5869 ( 4608 PWs) bands (ev): -64.2186 -64.2186 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 3.0308 3.0308 6.8365 6.8365 7.4845 7.4845 9.0267 9.0267 9.3254 9.3254 9.8193 9.8193 9.8982 9.8982 10.1589 10.1589 10.1921 10.1921 10.2951 10.2951 10.3716 10.3716 10.4555 10.4555 11.1831 11.1831 11.5318 11.5318 12.6668 12.6668 13.6851 13.6851 13.7939 13.7939 13.8981 13.8981 13.9347 13.9347 15.3385 15.3385 18.2772 18.2772 k = 0.3789 0.2188 0.5996 ( 4610 PWs) bands (ev): -64.2188 -64.2188 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 3.0392 3.0392 6.8175 6.8175 7.5159 7.5159 9.0395 9.0395 9.3149 9.3149 9.8155 9.8155 9.8925 9.8925 10.1580 10.1580 10.1874 10.1874 10.3008 10.3008 10.3717 10.3717 10.4610 10.4610 11.1793 11.1793 11.5067 11.5067 12.6391 12.6391 13.6913 13.6913 13.7941 13.7941 13.8680 13.8680 13.9319 13.9319 15.3293 15.3293 18.1703 18.1703 k = 0.3750 0.2165 0.6124 ( 4604 PWs) bands (ev): -64.2181 -64.2181 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 3.0448 3.0448 6.7925 6.7925 7.5584 7.5584 9.0518 9.0518 9.3062 9.3062 9.8117 9.8117 9.8860 9.8860 10.1558 10.1558 10.1835 10.1835 10.3071 10.3071 10.3718 10.3718 10.4677 10.4677 11.1776 11.1776 11.4823 11.4823 12.6136 12.6136 13.7006 13.7006 13.7933 13.7933 13.8418 13.8418 13.9391 13.9391 15.3183 15.3183 18.0672 18.0672 k = 0.6250-0.0722 0.4082 ( 4604 PWs) bands (ev): -64.2181 -64.2181 -34.0293 -34.0293 -32.8312 -32.8312 -32.8308 -32.8308 3.0448 3.0448 6.7925 6.7925 7.5584 7.5584 9.0518 9.0518 9.3062 9.3062 9.8117 9.8117 9.8860 9.8860 10.1558 10.1558 10.1835 10.1835 10.3071 10.3071 10.3718 10.3718 10.4677 10.4677 11.1776 11.1776 11.4823 11.4823 12.6136 12.6136 13.7006 13.7006 13.7933 13.7933 13.8418 13.8418 13.9391 13.9391 15.3183 15.3183 18.0672 18.0672 k = 0.6184-0.0836 0.4082 ( 4614 PWs) bands (ev): -64.2192 -64.2192 -34.0293 -34.0293 -32.8313 -32.8313 -32.8308 -32.8308 3.0507 3.0507 6.7481 6.7481 7.6396 7.6396 9.0719 9.0719 9.2931 9.2931 9.8051 9.8051 9.8736 9.8736 10.1499 10.1499 10.1777 10.1777 10.3180 10.3180 10.3730 10.3730 10.4801 10.4801 11.1763 11.1763 11.4420 11.4420 12.5714 12.5714 13.7074 13.7074 13.7763 13.7763 13.8067 13.8067 13.9450 13.9450 15.2927 15.2927 17.9000 17.9000 k = 0.6118-0.0950 0.4082 ( 4614 PWs) bands (ev): -64.2192 -64.2192 -34.0293 -34.0293 -32.8313 -32.8313 -32.8308 -32.8308 3.0549 3.0549 6.7056 6.7056 7.7248 7.7248 9.0921 9.0921 9.2804 9.2804 9.7987 9.7987 9.8598 9.8598 10.1424 10.1424 10.1728 10.1728 10.3288 10.3288 10.3771 10.3771 10.4927 10.4927 11.1750 11.1750 11.4022 11.4022 12.5315 12.5315 13.7117 13.7117 13.7469 13.7469 13.7971 13.7971 13.9551 13.9551 15.2614 15.2614 17.7448 17.7448 k = 0.6053-0.1064 0.4082 ( 4630 PWs) bands (ev): -64.2208 -64.2208 -34.0294 -34.0294 -32.8313 -32.8313 -32.8309 -32.8309 3.0576 3.0576 6.6652 6.6652 7.8131 7.8131 9.1117 9.1117 9.2682 9.2682 9.7923 9.7923 9.8447 9.8447 10.1336 10.1336 10.1684 10.1684 10.3392 10.3392 10.3840 10.3840 10.5052 10.5052 11.1737 11.1737 11.3626 11.3626 12.4915 12.4915 13.6857 13.6857 13.7305 13.7305 13.7888 13.7888 13.9619 13.9619 15.2223 15.2223 17.6001 17.6001 k = 0.5987-0.1177 0.4082 ( 4624 PWs) bands (ev): -64.2202 -64.2202 -34.0294 -34.0294 -32.8313 -32.8313 -32.8308 -32.8308 3.0590 3.0590 6.6271 6.6271 7.9044 7.9044 9.1313 9.1313 9.2565 9.2565 9.7854 9.7854 9.8288 9.8288 10.1243 10.1243 10.1646 10.1646 10.3493 10.3493 10.3938 10.3938 10.5176 10.5176 11.1724 11.1724 11.3240 11.3240 12.4554 12.4554 13.6526 13.6526 13.7352 13.7352 13.7897 13.7897 13.9733 13.9733 15.1773 15.1773 17.4723 17.4723 k = 0.5921-0.1291 0.4082 ( 4626 PWs) bands (ev): -64.2204 -64.2204 -34.0294 -34.0294 -32.8313 -32.8313 -32.8308 -32.8308 3.0594 3.0594 6.5912 6.5912 7.9975 7.9975 9.1504 9.1504 9.2453 9.2453 9.7769 9.7769 9.8129 9.8129 10.1148 10.1148 10.1610 10.1610 10.3595 10.3595 10.4058 10.4058 10.5296 10.5296 11.1708 11.1708 11.2862 11.2862 12.4178 12.4178 13.6181 13.6181 13.7403 13.7403 13.7891 13.7891 13.9820 13.9820 15.1248 15.1248 17.3546 17.3546 k = 0.5855-0.1405 0.4082 ( 4618 PWs) bands (ev): -64.2195 -64.2195 -34.0294 -34.0294 -32.8313 -32.8313 -32.8308 -32.8308 3.0588 3.0588 6.5576 6.5576 8.0922 8.0922 9.1688 9.1688 9.2348 9.2348 9.7645 9.7645 9.7993 9.7993 10.1057 10.1057 10.1577 10.1577 10.3702 10.3702 10.4193 10.4193 10.5413 10.5413 11.1687 11.1687 11.2497 11.2497 12.3804 12.3804 13.5889 13.5889 13.7489 13.7489 13.7960 13.7960 13.9915 13.9915 15.0676 15.0676 17.2490 17.2490 k = 0.5789-0.1519 0.4082 ( 4618 PWs) bands (ev): -64.2195 -64.2195 -34.0294 -34.0294 -32.8313 -32.8313 -32.8308 -32.8308 3.0576 3.0576 6.5264 6.5264 8.1877 8.1877 9.1862 9.1862 9.2251 9.2251 9.7465 9.7465 9.7897 9.7897 10.0970 10.0970 10.1545 10.1545 10.3818 10.3818 10.4338 10.4338 10.5526 10.5526 11.1648 11.1648 11.2159 11.2159 12.3447 12.3447 13.5570 13.5570 13.7528 13.7528 13.7991 13.7991 13.9992 13.9992 15.0051 15.0051 17.1584 17.1584 k = 0.5724-0.1633 0.4082 ( 4618 PWs) bands (ev): -64.2195 -64.2195 -34.0294 -34.0294 -32.8313 -32.8313 -32.8308 -32.8308 3.0558 3.0558 6.4976 6.4976 8.2834 8.2834 9.2015 9.2015 9.2171 9.2171 9.7236 9.7236 9.7834 9.7834 10.0887 10.0887 10.1514 10.1514 10.3943 10.3943 10.4490 10.4490 10.5638 10.5638 11.1541 11.1541 11.1899 11.1899 12.3093 12.3093 13.5287 13.5287 13.7573 13.7573 13.8014 13.8014 14.0059 14.0059 14.9387 14.9387 17.0797 17.0797 k = 0.5658-0.1747 0.4082 ( 4622 PWs) bands (ev): -64.2199 -64.2199 -34.0294 -34.0294 -32.8313 -32.8313 -32.8308 -32.8308 3.0536 3.0536 6.4712 6.4712 8.3786 8.3786 9.2042 9.2042 9.2213 9.2213 9.6973 9.6973 9.7787 9.7787 10.0811 10.0811 10.1485 10.1485 10.4076 10.4076 10.4646 10.4646 10.5748 10.5748 11.1296 11.1296 11.1788 11.1788 12.2745 12.2745 13.4996 13.4996 13.7610 13.7610 13.8029 13.8029 14.0103 14.0103 14.8701 14.8701 17.0127 17.0127 k = 0.5592-0.1861 0.4082 ( 4630 PWs) bands (ev): -64.2207 -64.2207 -34.0294 -34.0294 -32.8314 -32.8314 -32.8309 -32.8309 3.0512 3.0512 6.4473 6.4473 8.4727 8.4727 9.1973 9.1973 9.2344 9.2344 9.6684 9.6684 9.7751 9.7751 10.0741 10.0741 10.1456 10.1456 10.4215 10.4215 10.4802 10.4802 10.5859 10.5859 11.0991 11.0991 11.1751 11.1751 12.2403 12.2403 13.4710 13.4710 13.7621 13.7621 13.8031 13.8031 14.0135 14.0135 14.8018 14.8018 16.9558 16.9558 k = 0.5526-0.1975 0.4082 ( 4628 PWs) bands (ev): -64.2205 -64.2205 -34.0294 -34.0294 -32.8314 -32.8314 -32.8308 -32.8308 3.0487 3.0487 6.4258 6.4258 8.5651 8.5651 9.1903 9.1903 9.2467 9.2467 9.6373 9.6373 9.7721 9.7721 10.0679 10.0679 10.1430 10.1430 10.4356 10.4356 10.4953 10.4953 10.5973 10.5973 11.0681 11.0681 11.1733 11.1733 12.2075 12.2075 13.4509 13.4509 13.7652 13.7652 13.8058 13.8058 14.0183 14.0183 14.7358 14.7358 16.9094 16.9094 k = 0.5461-0.2089 0.4082 ( 4624 PWs) bands (ev): -64.2201 -64.2201 -34.0294 -34.0294 -32.8314 -32.8314 -32.8308 -32.8308 3.0462 3.0462 6.4068 6.4068 8.6551 8.6551 9.1839 9.1839 9.2572 9.2572 9.6043 9.6043 9.7697 9.7697 10.0624 10.0624 10.1407 10.1407 10.4496 10.4496 10.5096 10.5096 10.6094 10.6094 11.0381 11.0381 11.1723 11.1723 12.1759 12.1759 13.4358 13.4358 13.7681 13.7681 13.8085 13.8085 14.0229 14.0229 14.6736 14.6736 16.8710 16.8710 k = 0.5395-0.2203 0.4082 ( 4624 PWs) bands (ev): -64.2200 -64.2200 -34.0294 -34.0294 -32.8314 -32.8314 -32.8308 -32.8308 3.0439 3.0439 6.3903 6.3903 8.7420 8.7420 9.1783 9.1783 9.2650 9.2650 9.5699 9.5699 9.7677 9.7677 10.0577 10.0577 10.1387 10.1387 10.4630 10.4630 10.5225 10.5225 10.6222 10.6222 11.0098 11.0098 11.1716 11.1716 12.1458 12.1458 13.4196 13.4196 13.7705 13.7705 13.8109 13.8109 14.0248 14.0248 14.6169 14.6169 16.8391 16.8391 k = 0.5329-0.2317 0.4082 ( 4636 PWs) bands (ev): -64.2213 -64.2213 -34.0294 -34.0294 -32.8314 -32.8314 -32.8309 -32.8309 3.0418 3.0418 6.3763 6.3763 8.8249 8.8249 9.1735 9.1735 9.2692 9.2692 9.5346 9.5346 9.7660 9.7660 10.0536 10.0536 10.1368 10.1368 10.4754 10.4754 10.5336 10.5336 10.6357 10.6357 10.9836 10.9836 11.1711 11.1711 12.1157 12.1157 13.4029 13.4029 13.7699 13.7699 13.8105 13.8105 14.0233 14.0233 14.5670 14.5670 16.8068 16.8068 k = 0.5263-0.2431 0.4082 ( 4636 PWs) bands (ev): -64.2212 -64.2212 -34.0294 -34.0294 -32.8314 -32.8314 -32.8309 -32.8309 3.0399 3.0399 6.3649 6.3649 8.9038 8.9038 9.1696 9.1696 9.2685 9.2685 9.5004 9.5004 9.7647 9.7647 10.0504 10.0504 10.1354 10.1354 10.4865 10.4865 10.5426 10.5426 10.6494 10.6494 10.9602 10.9602 11.1708 11.1708 12.0915 12.0915 13.3917 13.3917 13.7716 13.7716 13.8124 13.8124 14.0235 14.0235 14.5252 14.5252 16.7867 16.7867 k = 0.5197-0.2545 0.4082 ( 4624 PWs) bands (ev): -64.2199 -64.2199 -34.0294 -34.0294 -32.8314 -32.8314 -32.8308 -32.8308 3.0385 3.0385 6.3560 6.3560 8.9777 8.9777 9.1666 9.1666 9.2605 9.2605 9.4694 9.4694 9.7637 9.7637 10.0481 10.0481 10.1344 10.1344 10.4956 10.4956 10.5494 10.5494 10.6624 10.6624 10.9402 10.9402 11.1705 11.1705 12.0717 12.0717 13.3878 13.3878 13.7779 13.7779 13.8187 13.8187 14.0254 14.0254 14.4931 14.4931 16.7725 16.7725 k = 0.5132-0.2659 0.4082 ( 4612 PWs) bands (ev): -64.2186 -64.2186 -34.0294 -34.0294 -32.8313 -32.8313 -32.8308 -32.8308 3.0374 3.0374 6.3496 6.3496 9.0456 9.0456 9.1645 9.1645 9.2425 9.2425 9.4449 9.4449 9.7630 9.7630 10.0466 10.0466 10.1339 10.1339 10.5025 10.5025 10.5542 10.5542 10.6734 10.6734 10.9246 10.9246 11.1704 11.1704 12.0573 12.0573 13.3866 13.3866 13.7841 13.7841 13.8248 13.8248 14.0255 14.0255 14.4695 14.4695 16.7641 16.7641 k = 0.5066-0.2773 0.4082 ( 4604 PWs) bands (ev): -64.2178 -64.2178 -34.0294 -34.0294 -32.8313 -32.8313 -32.8308 -32.8308 3.0367 3.0367 6.3458 6.3458 9.1051 9.1051 9.1637 9.1637 9.2134 9.2134 9.4296 9.4296 9.7626 9.7626 10.0457 10.0457 10.1336 10.1336 10.5068 10.5068 10.5570 10.5570 10.6809 10.6809 10.9146 10.9146 11.1703 11.1703 12.0492 12.0492 13.3831 13.3831 13.7874 13.7874 13.8285 13.8285 14.0266 14.0266 14.4559 14.4559 16.7619 16.7619 k = 0.5000-0.2887 0.4082 ( 4568 PWs) bands (ev): -64.2140 -64.2140 -34.0293 -34.0293 -32.8312 -32.8312 -32.8307 -32.8307 3.0366 3.0366 6.3445 6.3445 9.1406 9.1406 9.1660 9.1660 9.1865 9.1865 9.4246 9.4246 9.7625 9.7625 10.0458 10.0458 10.1339 10.1339 10.5083 10.5083 10.5579 10.5579 10.6836 10.6836 10.9111 10.9111 11.1703 11.1703 12.0494 12.0494 13.3952 13.3952 13.7983 13.7983 13.8390 13.8390 14.0337 14.0337 14.4537 14.4537 16.7705 16.7705 Writing output data file MnCu2Sb.save init_run : 0.19s CPU 0.60s WALL ( 1 calls) electrons : 134.52s CPU 137.53s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.09s WALL ( 1 calls) potinit : 0.02s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 134.52s CPU 137.52s 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 : 0.08s CPU 0.08s WALL ( 346 calls) cegterg : 119.50s CPU 121.05s WALL ( 349 calls) Called by sum_band: Called by *egterg: h_psi : 80.88s CPU 82.50s WALL ( 5892 calls) s_psi : 3.86s CPU 3.87s WALL ( 5892 calls) g_psi : 0.26s CPU 0.22s WALL ( 5197 calls) cdiaghg : 33.69s CPU 33.84s WALL ( 5543 calls) cegterg:over : 4.73s CPU 4.83s WALL ( 5197 calls) cegterg:upda : 3.70s CPU 3.79s WALL ( 5197 calls) cegterg:last : 2.53s CPU 2.58s WALL ( 1041 calls) cdiaghg:chol : 2.06s CPU 1.90s WALL ( 5543 calls) cdiaghg:inve : 1.26s CPU 1.21s WALL ( 5543 calls) cdiaghg:para : 1.96s CPU 1.98s WALL ( 11086 calls) Called by h_psi: h_psi:vloc : 70.96s CPU 72.56s WALL ( 5892 calls) h_psi:vnl : 9.71s CPU 9.74s WALL ( 5892 calls) add_vuspsi : 5.16s CPU 5.15s WALL ( 5892 calls) General routines calbec : 4.53s CPU 4.58s WALL ( 5892 calls) fft : 0.00s CPU 0.00s WALL ( 15 calls) fftw : 67.05s CPU 68.53s WALL ( 661760 calls) davcio : 0.18s CPU 0.23s WALL ( 692 calls) Parallel routines fft_scatter : 22.73s CPU 23.52s WALL ( 661775 calls) PWSCF : 2m31.48s CPU 2m59.47s WALL This run was terminated on: 17:35:34 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=