Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:13:52 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: ./TiFe2Sn.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D 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 1007 1007 154 Max 42 42 12 1011 1011 157 Sum 1453 1453 421 36325 36325 5601 bravais-lattice index = 14 lattice parameter (alat) = 8.1083 a.u. unit-cell volume = 376.9409 (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)= 8.108293 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 Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sn read from file: /users/gautes/Pseudo/Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 9499e19b89e678f7f9f46ad7de03aa82 Pseudo is Ultrasoft + core correction, Zval = 14.0 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 Ti read from file: /users/gautes/Pseudo/Ti.rel-pbe-oncvpsp.UPF MD5 check sum: 490816c065db03488b8f3a1c39de4952 Pseudo is Norm-conserving, Zval = 12.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 600 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 atomic species valence mass pseudopotential Fe 8.00 55.84500 Fe( 1.00) Sn 14.00 118.71000 Sn( 1.00) Ti 12.00 47.86700 Ti( 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 0.3461538), wk = 0.0028902 k( 38) = ( 0.3557692 -0.0000000 0.3557692), wk = 0.0028902 k( 39) = ( 0.3653846 0.0000000 0.3653846), wk = 0.0028902 k( 40) = ( 0.3750000 -0.0000000 0.3750000), wk = 0.0028902 k( 41) = ( 0.3846154 -0.0000000 0.3846154), wk = 0.0028902 k( 42) = ( 0.3942308 -0.0000000 0.3942308), wk = 0.0028902 k( 43) = ( 0.4038462 -0.0000000 0.4038462), wk = 0.0028902 k( 44) = ( 0.4134615 -0.0000000 0.4134615), wk = 0.0028902 k( 45) = ( 0.4230769 -0.0000000 0.4230769), wk = 0.0028902 k( 46) = ( 0.4326923 -0.0000000 0.4326923), wk = 0.0028902 k( 47) = ( 0.4423077 0.0000000 0.4423077), wk = 0.0028902 k( 48) = ( 0.4519231 0.0000000 0.4519231), wk = 0.0028902 k( 49) = ( 0.4615385 -0.0000000 0.4615385), wk = 0.0028902 k( 50) = ( 0.4711538 -0.0000000 0.4711539), 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 0.6315789), 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 0.6013513), 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: 36325 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.20 Mb ( 260, 50) NL pseudopotentials 0.27 Mb ( 130, 136) Each V/rho on FFT grid 0.07 Mb ( 4608) Each G-vector array 0.01 Mb ( 1008) G-vector shells 0.00 Mb ( 301) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.79 Mb ( 260, 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 : ./TiFe2Sn.save/charge-density.dat Starting wfc are 54 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.6 secs Computing kpt #: 2 total cpu time spent up to now is 3.2 secs Computing kpt #: 3 total cpu time spent up to now is 3.7 secs Computing kpt #: 4 total cpu time spent up to now is 4.3 secs Computing kpt #: 5 total cpu time spent up to now is 4.9 secs Computing kpt #: 6 total cpu time spent up to now is 5.4 secs Computing kpt #: 7 total cpu time spent up to now is 6.0 secs Computing kpt #: 8 total cpu time spent up to now is 6.6 secs Computing kpt #: 9 total cpu time spent up to now is 7.3 secs Computing kpt #: 10 total cpu time spent up to now is 7.9 secs Computing kpt #: 11 total cpu time spent up to now is 8.6 secs Computing kpt #: 12 total cpu time spent up to now is 9.3 secs Computing kpt #: 13 total cpu time spent up to now is 10.0 secs Computing kpt #: 14 total cpu time spent up to now is 10.7 secs Computing kpt #: 15 total cpu time spent up to now is 11.4 secs Computing kpt #: 16 total cpu time spent up to now is 12.1 secs Computing kpt #: 17 total cpu time spent up to now is 12.8 secs Computing kpt #: 18 total cpu time spent up to now is 13.5 secs Computing kpt #: 19 total cpu time spent up to now is 14.2 secs Computing kpt #: 20 total cpu time spent up to now is 15.0 secs Computing kpt #: 21 total cpu time spent up to now is 15.7 secs Computing kpt #: 22 total cpu time spent up to now is 16.4 secs Computing kpt #: 23 total cpu time spent up to now is 17.1 secs Computing kpt #: 24 total cpu time spent up to now is 17.9 secs Computing kpt #: 25 total cpu time spent up to now is 18.6 secs Computing kpt #: 26 total cpu time spent up to now is 19.3 secs Computing kpt #: 27 total cpu time spent up to now is 20.1 secs Computing kpt #: 28 total cpu time spent up to now is 20.8 secs Computing kpt #: 29 total cpu time spent up to now is 21.6 secs Computing kpt #: 30 total cpu time spent up to now is 22.4 secs Computing kpt #: 31 total cpu time spent up to now is 23.1 secs Computing kpt #: 32 total cpu time spent up to now is 23.9 secs Computing kpt #: 33 total cpu time spent up to now is 24.7 secs Computing kpt #: 34 total cpu time spent up to now is 25.5 secs Computing kpt #: 35 total cpu time spent up to now is 26.3 secs Computing kpt #: 36 total cpu time spent up to now is 27.0 secs Computing kpt #: 37 total cpu time spent up to now is 27.8 secs Computing kpt #: 38 total cpu time spent up to now is 28.6 secs Computing kpt #: 39 total cpu time spent up to now is 29.3 secs Computing kpt #: 40 total cpu time spent up to now is 30.1 secs Computing kpt #: 41 total cpu time spent up to now is 30.9 secs Computing kpt #: 42 total cpu time spent up to now is 31.7 secs Computing kpt #: 43 total cpu time spent up to now is 32.5 secs Computing kpt #: 44 total cpu time spent up to now is 33.3 secs Computing kpt #: 45 total cpu time spent up to now is 34.1 secs Computing kpt #: 46 total cpu time spent up to now is 34.8 secs Computing kpt #: 47 total cpu time spent up to now is 35.6 secs Computing kpt #: 48 total cpu time spent up to now is 36.4 secs Computing kpt #: 49 total cpu time spent up to now is 37.1 secs Computing kpt #: 50 total cpu time spent up to now is 37.7 secs Computing kpt #: 51 total cpu time spent up to now is 38.4 secs Computing kpt #: 52 total cpu time spent up to now is 39.0 secs Computing kpt #: 53 total cpu time spent up to now is 39.6 secs Computing kpt #: 54 total cpu time spent up to now is 40.2 secs Computing kpt #: 55 total cpu time spent up to now is 40.8 secs Computing kpt #: 56 total cpu time spent up to now is 41.5 secs Computing kpt #: 57 total cpu time spent up to now is 42.3 secs Computing kpt #: 58 total cpu time spent up to now is 43.1 secs Computing kpt #: 59 total cpu time spent up to now is 43.8 secs Computing kpt #: 60 total cpu time spent up to now is 44.6 secs Computing kpt #: 61 total cpu time spent up to now is 45.4 secs Computing kpt #: 62 total cpu time spent up to now is 46.2 secs Computing kpt #: 63 total cpu time spent up to now is 47.0 secs Computing kpt #: 64 total cpu time spent up to now is 47.9 secs Computing kpt #: 65 total cpu time spent up to now is 48.7 secs Computing kpt #: 66 total cpu time spent up to now is 49.5 secs Computing kpt #: 67 total cpu time spent up to now is 50.3 secs Computing kpt #: 68 total cpu time spent up to now is 51.2 secs Computing kpt #: 69 total cpu time spent up to now is 52.0 secs Computing kpt #: 70 total cpu time spent up to now is 52.8 secs Computing kpt #: 71 total cpu time spent up to now is 53.7 secs Computing kpt #: 72 total cpu time spent up to now is 54.5 secs Computing kpt #: 73 total cpu time spent up to now is 55.5 secs Computing kpt #: 74 total cpu time spent up to now is 56.3 secs Computing kpt #: 75 total cpu time spent up to now is 57.1 secs Computing kpt #: 76 total cpu time spent up to now is 58.1 secs Computing kpt #: 77 total cpu time spent up to now is 58.8 secs Computing kpt #: 78 total cpu time spent up to now is 59.6 secs Computing kpt #: 79 total cpu time spent up to now is 60.4 secs Computing kpt #: 80 total cpu time spent up to now is 61.1 secs Computing kpt #: 81 total cpu time spent up to now is 61.9 secs Computing kpt #: 82 total cpu time spent up to now is 62.6 secs Computing kpt #: 83 total cpu time spent up to now is 63.4 secs Computing kpt #: 84 total cpu time spent up to now is 64.1 secs Computing kpt #: 85 total cpu time spent up to now is 64.9 secs Computing kpt #: 86 total cpu time spent up to now is 65.7 secs Computing kpt #: 87 total cpu time spent up to now is 66.4 secs Computing kpt #: 88 total cpu time spent up to now is 67.3 secs Computing kpt #: 89 total cpu time spent up to now is 68.5 secs Computing kpt #: 90 total cpu time spent up to now is 69.6 secs Computing kpt #: 91 total cpu time spent up to now is 70.9 secs Computing kpt #: 92 total cpu time spent up to now is 72.2 secs Computing kpt #: 93 total cpu time spent up to now is 73.1 secs Computing kpt #: 94 total cpu time spent up to now is 74.3 secs Computing kpt #: 95 total cpu time spent up to now is 75.4 secs Computing kpt #: 96 total cpu time spent up to now is 76.2 secs Computing kpt #: 97 total cpu time spent up to now is 77.2 secs Computing kpt #: 98 total cpu time spent up to now is 78.0 secs Computing kpt #: 99 total cpu time spent up to now is 79.1 secs Computing kpt #: 100 total cpu time spent up to now is 80.2 secs Computing kpt #: 101 total cpu time spent up to now is 81.1 secs Computing kpt #: 102 total cpu time spent up to now is 82.1 secs Computing kpt #: 103 total cpu time spent up to now is 82.8 secs Computing kpt #: 104 total cpu time spent up to now is 83.6 secs Computing kpt #: 105 total cpu time spent up to now is 84.4 secs Computing kpt #: 106 total cpu time spent up to now is 85.3 secs Computing kpt #: 107 total cpu time spent up to now is 86.1 secs Computing kpt #: 108 total cpu time spent up to now is 86.8 secs Computing kpt #: 109 total cpu time spent up to now is 87.6 secs Computing kpt #: 110 total cpu time spent up to now is 88.4 secs Computing kpt #: 111 total cpu time spent up to now is 89.1 secs Computing kpt #: 112 total cpu time spent up to now is 89.9 secs Computing kpt #: 113 total cpu time spent up to now is 90.6 secs Computing kpt #: 114 total cpu time spent up to now is 91.4 secs Computing kpt #: 115 total cpu time spent up to now is 92.1 secs Computing kpt #: 116 total cpu time spent up to now is 92.9 secs Computing kpt #: 117 total cpu time spent up to now is 93.6 secs Computing kpt #: 118 total cpu time spent up to now is 94.4 secs Computing kpt #: 119 total cpu time spent up to now is 95.1 secs Computing kpt #: 120 total cpu time spent up to now is 95.9 secs Computing kpt #: 121 total cpu time spent up to now is 96.6 secs Computing kpt #: 122 total cpu time spent up to now is 97.3 secs Computing kpt #: 123 total cpu time spent up to now is 98.0 secs Computing kpt #: 124 total cpu time spent up to now is 98.8 secs Computing kpt #: 125 total cpu time spent up to now is 99.5 secs Computing kpt #: 126 total cpu time spent up to now is 100.2 secs Computing kpt #: 127 total cpu time spent up to now is 100.9 secs Computing kpt #: 128 total cpu time spent up to now is 101.6 secs Computing kpt #: 129 total cpu time spent up to now is 102.3 secs Computing kpt #: 130 total cpu time spent up to now is 103.0 secs Computing kpt #: 131 total cpu time spent up to now is 103.7 secs Computing kpt #: 132 total cpu time spent up to now is 104.3 secs Computing kpt #: 133 total cpu time spent up to now is 105.1 secs Computing kpt #: 134 total cpu time spent up to now is 105.7 secs Computing kpt #: 135 total cpu time spent up to now is 106.5 secs Computing kpt #: 136 total cpu time spent up to now is 107.1 secs Computing kpt #: 137 total cpu time spent up to now is 107.8 secs Computing kpt #: 138 total cpu time spent up to now is 108.5 secs Computing kpt #: 139 total cpu time spent up to now is 109.2 secs Computing kpt #: 140 total cpu time spent up to now is 109.9 secs Computing kpt #: 141 total cpu time spent up to now is 110.6 secs Computing kpt #: 142 total cpu time spent up to now is 111.3 secs Computing kpt #: 143 total cpu time spent up to now is 112.0 secs Computing kpt #: 144 total cpu time spent up to now is 112.7 secs Computing kpt #: 145 total cpu time spent up to now is 113.4 secs Computing kpt #: 146 total cpu time spent up to now is 114.1 secs Computing kpt #: 147 total cpu time spent up to now is 114.7 secs Computing kpt #: 148 total cpu time spent up to now is 115.4 secs Computing kpt #: 149 total cpu time spent up to now is 116.1 secs Computing kpt #: 150 total cpu time spent up to now is 116.7 secs Computing kpt #: 151 total cpu time spent up to now is 117.4 secs Computing kpt #: 152 total cpu time spent up to now is 118.0 secs Computing kpt #: 153 total cpu time spent up to now is 118.6 secs Computing kpt #: 154 total cpu time spent up to now is 119.2 secs Computing kpt #: 155 total cpu time spent up to now is 119.7 secs Computing kpt #: 156 total cpu time spent up to now is 120.2 secs Computing kpt #: 157 total cpu time spent up to now is 120.7 secs Computing kpt #: 158 total cpu time spent up to now is 121.2 secs Computing kpt #: 159 total cpu time spent up to now is 121.8 secs Computing kpt #: 160 total cpu time spent up to now is 122.3 secs Computing kpt #: 161 total cpu time spent up to now is 123.0 secs Computing kpt #: 162 total cpu time spent up to now is 123.6 secs Computing kpt #: 163 total cpu time spent up to now is 124.2 secs Computing kpt #: 164 total cpu time spent up to now is 124.9 secs Computing kpt #: 165 total cpu time spent up to now is 125.5 secs Computing kpt #: 166 total cpu time spent up to now is 126.2 secs Computing kpt #: 167 total cpu time spent up to now is 126.8 secs Computing kpt #: 168 total cpu time spent up to now is 127.5 secs Computing kpt #: 169 total cpu time spent up to now is 128.1 secs Computing kpt #: 170 total cpu time spent up to now is 128.8 secs Computing kpt #: 171 total cpu time spent up to now is 129.4 secs Computing kpt #: 172 total cpu time spent up to now is 130.1 secs Computing kpt #: 173 total cpu time spent up to now is 130.7 secs Computing kpt #: 174 total cpu time spent up to now is 131.4 secs Computing kpt #: 175 total cpu time spent up to now is 132.0 secs Computing kpt #: 176 total cpu time spent up to now is 132.7 secs Computing kpt #: 177 total cpu time spent up to now is 133.3 secs Computing kpt #: 178 total cpu time spent up to now is 133.9 secs Computing kpt #: 179 total cpu time spent up to now is 134.6 secs Computing kpt #: 180 total cpu time spent up to now is 135.3 secs Computing kpt #: 181 total cpu time spent up to now is 135.9 secs Computing kpt #: 182 total cpu time spent up to now is 136.6 secs Computing kpt #: 183 total cpu time spent up to now is 137.3 secs Computing kpt #: 184 total cpu time spent up to now is 138.0 secs Computing kpt #: 185 total cpu time spent up to now is 138.7 secs Computing kpt #: 186 total cpu time spent up to now is 139.4 secs Computing kpt #: 187 total cpu time spent up to now is 140.1 secs Computing kpt #: 188 total cpu time spent up to now is 140.9 secs Computing kpt #: 189 total cpu time spent up to now is 141.6 secs Computing kpt #: 190 total cpu time spent up to now is 142.4 secs Computing kpt #: 191 total cpu time spent up to now is 143.1 secs Computing kpt #: 192 total cpu time spent up to now is 143.8 secs Computing kpt #: 193 total cpu time spent up to now is 144.6 secs Computing kpt #: 194 total cpu time spent up to now is 145.4 secs Computing kpt #: 195 total cpu time spent up to now is 146.2 secs Computing kpt #: 196 total cpu time spent up to now is 147.0 secs Computing kpt #: 197 total cpu time spent up to now is 147.8 secs Computing kpt #: 198 total cpu time spent up to now is 148.6 secs Computing kpt #: 199 total cpu time spent up to now is 149.4 secs Computing kpt #: 200 total cpu time spent up to now is 150.6 secs Computing kpt #: 201 total cpu time spent up to now is 151.5 secs Computing kpt #: 202 total cpu time spent up to now is 152.3 secs Computing kpt #: 203 total cpu time spent up to now is 153.1 secs Computing kpt #: 204 total cpu time spent up to now is 154.0 secs Computing kpt #: 205 total cpu time spent up to now is 154.8 secs Computing kpt #: 206 total cpu time spent up to now is 155.6 secs Computing kpt #: 207 total cpu time spent up to now is 156.5 secs Computing kpt #: 208 total cpu time spent up to now is 157.2 secs Computing kpt #: 209 total cpu time spent up to now is 158.0 secs Computing kpt #: 210 total cpu time spent up to now is 159.0 secs Computing kpt #: 211 total cpu time spent up to now is 159.8 secs Computing kpt #: 212 total cpu time spent up to now is 160.7 secs Computing kpt #: 213 total cpu time spent up to now is 161.5 secs Computing kpt #: 214 total cpu time spent up to now is 162.5 secs Computing kpt #: 215 total cpu time spent up to now is 163.2 secs Computing kpt #: 216 total cpu time spent up to now is 164.2 secs Computing kpt #: 217 total cpu time spent up to now is 165.2 secs Computing kpt #: 218 total cpu time spent up to now is 166.2 secs Computing kpt #: 219 total cpu time spent up to now is 167.2 secs Computing kpt #: 220 total cpu time spent up to now is 168.1 secs Computing kpt #: 221 total cpu time spent up to now is 169.1 secs Computing kpt #: 222 total cpu time spent up to now is 170.1 secs Computing kpt #: 223 total cpu time spent up to now is 171.3 secs Computing kpt #: 224 total cpu time spent up to now is 172.5 secs Computing kpt #: 225 total cpu time spent up to now is 173.4 secs Computing kpt #: 226 total cpu time spent up to now is 174.3 secs Computing kpt #: 227 total cpu time spent up to now is 175.2 secs Computing kpt #: 228 total cpu time spent up to now is 176.2 secs Computing kpt #: 229 total cpu time spent up to now is 176.9 secs Computing kpt #: 230 total cpu time spent up to now is 177.7 secs Computing kpt #: 231 total cpu time spent up to now is 178.5 secs Computing kpt #: 232 total cpu time spent up to now is 179.3 secs Computing kpt #: 233 total cpu time spent up to now is 180.3 secs Computing kpt #: 234 total cpu time spent up to now is 181.1 secs Computing kpt #: 235 total cpu time spent up to now is 182.0 secs Computing kpt #: 236 total cpu time spent up to now is 182.9 secs Computing kpt #: 237 total cpu time spent up to now is 184.0 secs Computing kpt #: 238 total cpu time spent up to now is 184.9 secs Computing kpt #: 239 total cpu time spent up to now is 185.9 secs Computing kpt #: 240 total cpu time spent up to now is 187.0 secs Computing kpt #: 241 total cpu time spent up to now is 188.1 secs Computing kpt #: 242 total cpu time spent up to now is 189.0 secs Computing kpt #: 243 total cpu time spent up to now is 190.2 secs Computing kpt #: 244 total cpu time spent up to now is 191.3 secs Computing kpt #: 245 total cpu time spent up to now is 192.2 secs Computing kpt #: 246 total cpu time spent up to now is 193.3 secs Computing kpt #: 247 total cpu time spent up to now is 194.3 secs Computing kpt #: 248 total cpu time spent up to now is 195.4 secs Computing kpt #: 249 total cpu time spent up to now is 196.2 secs Computing kpt #: 250 total cpu time spent up to now is 197.1 secs Computing kpt #: 251 total cpu time spent up to now is 197.9 secs Computing kpt #: 252 total cpu time spent up to now is 198.6 secs Computing kpt #: 253 total cpu time spent up to now is 199.4 secs Computing kpt #: 254 total cpu time spent up to now is 200.1 secs Computing kpt #: 255 total cpu time spent up to now is 200.9 secs Computing kpt #: 256 total cpu time spent up to now is 201.7 secs Computing kpt #: 257 total cpu time spent up to now is 202.4 secs Computing kpt #: 258 total cpu time spent up to now is 203.2 secs Computing kpt #: 259 total cpu time spent up to now is 203.9 secs Computing kpt #: 260 total cpu time spent up to now is 204.7 secs Computing kpt #: 261 total cpu time spent up to now is 205.5 secs Computing kpt #: 262 total cpu time spent up to now is 206.3 secs Computing kpt #: 263 total cpu time spent up to now is 207.1 secs Computing kpt #: 264 total cpu time spent up to now is 207.9 secs Computing kpt #: 265 total cpu time spent up to now is 208.7 secs Computing kpt #: 266 total cpu time spent up to now is 209.5 secs Computing kpt #: 267 total cpu time spent up to now is 210.4 secs Computing kpt #: 268 total cpu time spent up to now is 211.3 secs Computing kpt #: 269 total cpu time spent up to now is 212.0 secs Computing kpt #: 270 total cpu time spent up to now is 212.8 secs Computing kpt #: 271 total cpu time spent up to now is 213.5 secs Computing kpt #: 272 total cpu time spent up to now is 214.4 secs Computing kpt #: 273 total cpu time spent up to now is 215.3 secs Computing kpt #: 274 total cpu time spent up to now is 216.1 secs Computing kpt #: 275 total cpu time spent up to now is 216.9 secs Computing kpt #: 276 total cpu time spent up to now is 217.7 secs Computing kpt #: 277 total cpu time spent up to now is 218.6 secs Computing kpt #: 278 total cpu time spent up to now is 219.4 secs Computing kpt #: 279 total cpu time spent up to now is 220.3 secs Computing kpt #: 280 total cpu time spent up to now is 221.1 secs Computing kpt #: 281 total cpu time spent up to now is 221.8 secs Computing kpt #: 282 total cpu time spent up to now is 222.8 secs Computing kpt #: 283 total cpu time spent up to now is 223.5 secs Computing kpt #: 284 total cpu time spent up to now is 224.3 secs Computing kpt #: 285 total cpu time spent up to now is 225.1 secs Computing kpt #: 286 total cpu time spent up to now is 225.8 secs Computing kpt #: 287 total cpu time spent up to now is 226.8 secs Computing kpt #: 288 total cpu time spent up to now is 227.6 secs Computing kpt #: 289 total cpu time spent up to now is 228.5 secs Computing kpt #: 290 total cpu time spent up to now is 229.5 secs Computing kpt #: 291 total cpu time spent up to now is 230.3 secs Computing kpt #: 292 total cpu time spent up to now is 231.2 secs Computing kpt #: 293 total cpu time spent up to now is 232.0 secs Computing kpt #: 294 total cpu time spent up to now is 232.8 secs Computing kpt #: 295 total cpu time spent up to now is 233.6 secs Computing kpt #: 296 total cpu time spent up to now is 234.6 secs Computing kpt #: 297 total cpu time spent up to now is 235.4 secs Computing kpt #: 298 total cpu time spent up to now is 236.3 secs Computing kpt #: 299 total cpu time spent up to now is 237.1 secs Computing kpt #: 300 total cpu time spent up to now is 238.0 secs Computing kpt #: 301 total cpu time spent up to now is 239.0 secs Computing kpt #: 302 total cpu time spent up to now is 240.0 secs Computing kpt #: 303 total cpu time spent up to now is 240.8 secs Computing kpt #: 304 total cpu time spent up to now is 241.7 secs Computing kpt #: 305 total cpu time spent up to now is 242.7 secs Computing kpt #: 306 total cpu time spent up to now is 243.6 secs Computing kpt #: 307 total cpu time spent up to now is 244.5 secs Computing kpt #: 308 total cpu time spent up to now is 245.5 secs Computing kpt #: 309 total cpu time spent up to now is 246.5 secs Computing kpt #: 310 total cpu time spent up to now is 247.5 secs Computing kpt #: 311 total cpu time spent up to now is 248.5 secs Computing kpt #: 312 total cpu time spent up to now is 249.4 secs Computing kpt #: 313 total cpu time spent up to now is 250.6 secs Computing kpt #: 314 total cpu time spent up to now is 251.6 secs Computing kpt #: 315 total cpu time spent up to now is 252.6 secs Computing kpt #: 316 total cpu time spent up to now is 253.5 secs Computing kpt #: 317 total cpu time spent up to now is 254.5 secs Computing kpt #: 318 total cpu time spent up to now is 255.4 secs Computing kpt #: 319 total cpu time spent up to now is 256.4 secs Computing kpt #: 320 total cpu time spent up to now is 257.4 secs Computing kpt #: 321 total cpu time spent up to now is 258.3 secs Computing kpt #: 322 total cpu time spent up to now is 259.3 secs Computing kpt #: 323 total cpu time spent up to now is 260.3 secs Computing kpt #: 324 total cpu time spent up to now is 261.3 secs Computing kpt #: 325 total cpu time spent up to now is 262.3 secs Computing kpt #: 326 total cpu time spent up to now is 263.3 secs Computing kpt #: 327 total cpu time spent up to now is 264.1 secs Computing kpt #: 328 total cpu time spent up to now is 265.0 secs Computing kpt #: 329 total cpu time spent up to now is 265.8 secs Computing kpt #: 330 total cpu time spent up to now is 266.8 secs Computing kpt #: 331 total cpu time spent up to now is 267.6 secs Computing kpt #: 332 total cpu time spent up to now is 268.5 secs Computing kpt #: 333 total cpu time spent up to now is 269.3 secs Computing kpt #: 334 total cpu time spent up to now is 270.1 secs Computing kpt #: 335 total cpu time spent up to now is 270.9 secs Computing kpt #: 336 total cpu time spent up to now is 271.7 secs Computing kpt #: 337 total cpu time spent up to now is 272.5 secs Computing kpt #: 338 total cpu time spent up to now is 273.3 secs Computing kpt #: 339 total cpu time spent up to now is 274.1 secs Computing kpt #: 340 total cpu time spent up to now is 274.9 secs Computing kpt #: 341 total cpu time spent up to now is 275.7 secs Computing kpt #: 342 total cpu time spent up to now is 276.5 secs Computing kpt #: 343 total cpu time spent up to now is 277.3 secs Computing kpt #: 344 total cpu time spent up to now is 278.1 secs Computing kpt #: 345 total cpu time spent up to now is 278.7 secs Computing kpt #: 346 total cpu time spent up to now is 279.2 secs ethr = 2.38E-08, avg # of iterations = 32.5 total cpu time spent up to now is 279.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4573 PWs) bands (ev): -41.5548 -41.5548 -18.2616 -18.2616 -17.6081 -17.6081 -17.6081 -17.6081 -6.2933 -6.2933 -6.2933 -6.2933 -5.2811 -5.2811 -5.2623 -5.2623 -5.2623 -5.2623 4.7519 4.7519 12.1635 12.1635 12.3376 12.3376 12.3376 12.3376 12.7300 12.7300 12.7300 12.7300 14.2285 14.2285 14.2285 14.2285 14.2447 14.2447 15.5902 15.5902 15.5902 15.5902 15.6413 15.6413 15.6599 15.6599 15.6599 15.6599 17.2650 17.2650 17.2650 17.2650 k = 0.0096-0.0056 0.0079 ( 4573 PWs) bands (ev): -41.5548 -41.5548 -18.2616 -18.2616 -17.6081 -17.6081 -17.6081 -17.6081 -6.2933 -6.2933 -6.2933 -6.2933 -5.2811 -5.2811 -5.2623 -5.2623 -5.2622 -5.2622 4.7534 4.7534 12.1619 12.1619 12.3334 12.3334 12.3380 12.3380 12.7306 12.7306 12.7341 12.7341 14.2273 14.2273 14.2286 14.2286 14.2442 14.2442 15.5731 15.5731 15.5878 15.5878 15.6284 15.6284 15.6599 15.6599 15.6873 15.6873 17.2639 17.2639 17.2643 17.2643 k = 0.0192-0.0111 0.0157 ( 4585 PWs) bands (ev): -41.5548 -41.5548 -18.2616 -18.2616 -17.6081 -17.6081 -17.6081 -17.6081 -6.2933 -6.2933 -6.2932 -6.2932 -5.2811 -5.2811 -5.2622 -5.2622 -5.2622 -5.2622 4.7580 4.7580 12.1565 12.1565 12.3223 12.3223 12.3395 12.3395 12.7323 12.7323 12.7457 12.7457 14.2235 14.2235 14.2289 14.2289 14.2431 14.2431 15.5364 15.5364 15.5807 15.5807 15.6175 15.6175 15.6598 15.6598 15.7266 15.7266 17.2606 17.2606 17.2621 17.2621 k = 0.0288-0.0167 0.0236 ( 4601 PWs) bands (ev): -41.5548 -41.5548 -18.2617 -18.2617 -17.6082 -17.6082 -17.6081 -17.6081 -6.2932 -6.2932 -6.2931 -6.2931 -5.2810 -5.2810 -5.2622 -5.2622 -5.2621 -5.2621 4.7656 4.7656 12.1458 12.1458 12.3071 12.3071 12.3419 12.3419 12.7352 12.7352 12.7634 12.7634 14.2160 14.2160 14.2295 14.2295 14.2425 14.2425 15.4950 15.4950 15.5689 15.5689 15.6052 15.6052 15.6596 15.6596 15.7669 15.7669 17.2551 17.2551 17.2585 17.2585 k = 0.0385-0.0222 0.0314 ( 4597 PWs) bands (ev): -41.5548 -41.5548 -18.2617 -18.2617 -17.6083 -17.6083 -17.6081 -17.6081 -6.2932 -6.2932 -6.2930 -6.2930 -5.2809 -5.2809 -5.2621 -5.2621 -5.2620 -5.2620 4.7763 4.7763 12.1277 12.1277 12.2920 12.2920 12.3453 12.3453 12.7392 12.7392 12.7852 12.7852 14.2043 14.2043 14.2304 14.2304 14.2425 14.2425 15.4527 15.4527 15.5526 15.5526 15.5894 15.5894 15.6594 15.6594 15.8067 15.8067 17.2475 17.2475 17.2534 17.2534 k = 0.0481-0.0278 0.0393 ( 4589 PWs) bands (ev): -41.5547 -41.5547 -18.2618 -18.2618 -17.6084 -17.6084 -17.6082 -17.6082 -6.2932 -6.2932 -6.2929 -6.2929 -5.2809 -5.2809 -5.2621 -5.2621 -5.2618 -5.2618 4.7901 4.7901 12.1003 12.1003 12.2804 12.2804 12.3497 12.3497 12.7444 12.7444 12.8098 12.8098 14.1887 14.1887 14.2315 14.2315 14.2431 14.2431 15.4108 15.4108 15.5321 15.5321 15.5699 15.5699 15.6591 15.6591 15.8454 15.8454 17.2377 17.2377 17.2470 17.2470 k = 0.0577-0.0333 0.0471 ( 4589 PWs) bands (ev): -41.5547 -41.5547 -18.2618 -18.2618 -17.6085 -17.6085 -17.6082 -17.6082 -6.2932 -6.2932 -6.2927 -6.2927 -5.2808 -5.2808 -5.2620 -5.2620 -5.2616 -5.2616 4.8068 4.8068 12.0637 12.0637 12.2736 12.2736 12.3550 12.3550 12.7508 12.7508 12.8359 12.8359 14.1689 14.1689 14.2328 14.2328 14.2442 14.2442 15.3700 15.3700 15.5077 15.5077 15.5466 15.5466 15.6588 15.6588 15.8825 15.8825 17.2258 17.2258 17.2391 17.2391 k = 0.0673-0.0389 0.0550 ( 4589 PWs) bands (ev): -41.5547 -41.5547 -18.2619 -18.2619 -17.6086 -17.6086 -17.6082 -17.6082 -6.2931 -6.2931 -6.2925 -6.2925 -5.2807 -5.2807 -5.2619 -5.2619 -5.2614 -5.2614 4.8266 4.8266 12.0191 12.0191 12.2712 12.2712 12.3613 12.3613 12.7582 12.7582 12.8629 12.8629 14.1451 14.1451 14.2344 14.2344 14.2456 14.2456 15.3308 15.3308 15.4796 15.4796 15.5199 15.5199 15.6584 15.6584 15.9180 15.9180 17.2119 17.2119 17.2298 17.2298 k = 0.0769-0.0444 0.0628 ( 4577 PWs) bands (ev): -41.5547 -41.5547 -18.2620 -18.2620 -17.6088 -17.6088 -17.6083 -17.6083 -6.2931 -6.2931 -6.2923 -6.2923 -5.2805 -5.2805 -5.2617 -5.2617 -5.2611 -5.2611 4.8493 4.8493 11.9682 11.9682 12.2723 12.2723 12.3685 12.3685 12.7668 12.7668 12.8900 12.8900 14.1173 14.1173 14.2362 14.2362 14.2474 14.2474 15.2936 15.2936 15.4482 15.4482 15.4900 15.4900 15.6579 15.6579 15.9517 15.9517 17.1959 17.1959 17.2191 17.2191 k = 0.0865-0.0500 0.0707 ( 4577 PWs) bands (ev): -41.5547 -41.5547 -18.2621 -18.2621 -17.6089 -17.6089 -17.6083 -17.6083 -6.2930 -6.2930 -6.2920 -6.2920 -5.2804 -5.2804 -5.2616 -5.2616 -5.2608 -5.2608 4.8750 4.8750 11.9125 11.9125 12.2759 12.2759 12.3767 12.3767 12.7765 12.7765 12.9171 12.9171 14.0854 14.0854 14.2382 14.2382 14.2495 14.2495 15.2588 15.2588 15.4139 15.4139 15.4572 15.4572 15.6573 15.6573 15.9834 15.9834 17.1781 17.1781 17.2071 17.2071 k = 0.0962-0.0555 0.0785 ( 4581 PWs) bands (ev): -41.5547 -41.5547 -18.2622 -18.2622 -17.6091 -17.6091 -17.6084 -17.6084 -6.2930 -6.2930 -6.2917 -6.2917 -5.2803 -5.2803 -5.2614 -5.2614 -5.2605 -5.2605 4.9036 4.9036 11.8529 11.8529 12.2815 12.2815 12.3857 12.3857 12.7872 12.7872 12.9438 12.9438 14.0495 14.0495 14.2405 14.2405 14.2519 14.2519 15.2265 15.2265 15.3769 15.3769 15.4219 15.4219 15.6567 15.6567 16.0132 16.0132 17.1584 17.1584 17.1937 17.1937 k = 0.1058-0.0611 0.0864 ( 4577 PWs) bands (ev): -41.5547 -41.5547 -18.2623 -18.2623 -17.6093 -17.6093 -17.6084 -17.6084 -6.2929 -6.2929 -6.2914 -6.2914 -5.2801 -5.2801 -5.2612 -5.2612 -5.2602 -5.2602 4.9351 4.9351 11.7903 11.7903 12.2886 12.2886 12.3957 12.3957 12.7990 12.7990 12.9701 12.9701 14.0098 14.0098 14.2431 14.2431 14.2545 14.2545 15.1969 15.1969 15.3378 15.3378 15.3843 15.3843 15.6560 15.6560 16.0409 16.0409 17.1369 17.1369 17.1790 17.1790 k = 0.1154-0.0666 0.0942 ( 4573 PWs) bands (ev): -41.5546 -41.5546 -18.2624 -18.2624 -17.6096 -17.6096 -17.6085 -17.6085 -6.2928 -6.2928 -6.2911 -6.2911 -5.2799 -5.2799 -5.2610 -5.2610 -5.2599 -5.2599 4.9694 4.9694 11.7252 11.7252 12.2972 12.2972 12.4066 12.4066 12.8119 12.8119 12.9958 12.9958 13.9664 13.9664 14.2458 14.2458 14.2574 14.2574 15.1701 15.1701 15.2968 15.2968 15.3449 15.3449 15.6552 15.6552 16.0666 16.0666 17.1137 17.1137 17.1629 17.1629 k = 0.1250-0.0722 0.1021 ( 4569 PWs) bands (ev): -41.5546 -41.5546 -18.2625 -18.2625 -17.6098 -17.6098 -17.6086 -17.6086 -6.2928 -6.2928 -6.2908 -6.2908 -5.2798 -5.2798 -5.2608 -5.2608 -5.2595 -5.2595 5.0065 5.0065 11.6580 11.6580 12.3068 12.3068 12.4184 12.4184 12.8258 12.8258 13.0207 13.0207 13.9195 13.9195 14.2488 14.2488 14.2605 14.2605 15.1460 15.1460 15.2542 15.2542 15.3039 15.3039 15.6544 15.6544 16.0904 16.0904 17.0889 17.0889 17.1457 17.1457 k = 0.1346-0.0777 0.1099 ( 4561 PWs) bands (ev): -41.5546 -41.5546 -18.2627 -18.2627 -17.6100 -17.6100 -17.6086 -17.6086 -6.2927 -6.2927 -6.2904 -6.2904 -5.2796 -5.2796 -5.2606 -5.2606 -5.2592 -5.2592 5.0463 5.0463 11.5892 11.5892 12.3175 12.3175 12.4310 12.4310 12.8407 12.8407 13.0449 13.0449 13.8695 13.8695 14.2520 14.2520 14.2639 14.2639 15.1246 15.1246 15.2104 15.2104 15.2618 15.2618 15.6536 15.6536 16.1121 16.1121 17.0625 17.0625 17.1272 17.1272 k = 0.1442-0.0833 0.1178 ( 4565 PWs) bands (ev): -41.5546 -41.5546 -18.2628 -18.2628 -17.6103 -17.6103 -17.6087 -17.6087 -6.2926 -6.2926 -6.2901 -6.2901 -5.2794 -5.2794 -5.2603 -5.2603 -5.2588 -5.2588 5.0888 5.0888 11.5191 11.5191 12.3292 12.3292 12.4444 12.4444 12.8566 12.8566 13.0682 13.0682 13.8167 13.8167 14.2555 14.2555 14.2675 14.2675 15.1055 15.1055 15.1657 15.1657 15.2189 15.2189 15.6527 15.6527 16.1318 16.1318 17.0347 17.0347 17.1075 17.1075 k = 0.1538-0.0888 0.1256 ( 4573 PWs) bands (ev): -41.5546 -41.5546 -18.2630 -18.2630 -17.6106 -17.6106 -17.6088 -17.6088 -6.2925 -6.2925 -6.2897 -6.2897 -5.2792 -5.2792 -5.2600 -5.2600 -5.2585 -5.2585 5.1340 5.1340 11.4479 11.4479 12.3417 12.3417 12.4587 12.4587 12.8734 12.8734 13.0906 13.0906 13.7614 13.7614 14.2591 14.2591 14.2712 14.2712 15.0884 15.0884 15.1204 15.1204 15.1759 15.1759 15.6517 15.6517 16.1497 16.1497 17.0054 17.0054 17.0867 17.0867 k = 0.1635-0.0944 0.1335 ( 4564 PWs) bands (ev): -41.5545 -41.5545 -18.2631 -18.2631 -17.6108 -17.6108 -17.6089 -17.6089 -6.2924 -6.2924 -6.2894 -6.2894 -5.2791 -5.2791 -5.2597 -5.2597 -5.2581 -5.2581 5.1816 5.1816 11.3761 11.3761 12.3551 12.3551 12.4738 12.4738 12.8911 12.8911 13.1119 13.1119 13.7041 13.7041 14.2628 14.2628 14.2751 14.2751 15.0723 15.0723 15.0747 15.0747 15.1338 15.1338 15.6508 15.6508 16.1657 16.1657 16.9747 16.9747 17.0647 17.0647 k = 0.1731-0.0999 0.1413 ( 4580 PWs) bands (ev): -41.5545 -41.5545 -18.2633 -18.2633 -17.6111 -17.6111 -17.6089 -17.6089 -6.2924 -6.2924 -6.2890 -6.2890 -5.2789 -5.2789 -5.2594 -5.2594 -5.2578 -5.2578 5.2318 5.2318 11.3038 11.3038 12.3692 12.3692 12.4897 12.4897 12.9097 12.9097 13.1322 13.1322 13.6451 13.6451 14.2667 14.2667 14.2792 14.2792 15.0290 15.0290 15.0536 15.0536 15.0961 15.0961 15.6497 15.6497 16.1799 16.1799 16.9426 16.9426 17.0417 17.0417 k = 0.1827-0.1055 0.1492 ( 4588 PWs) bands (ev): -41.5545 -41.5545 -18.2634 -18.2634 -17.6114 -17.6114 -17.6090 -17.6090 -6.2923 -6.2923 -6.2886 -6.2886 -5.2787 -5.2787 -5.2591 -5.2591 -5.2575 -5.2575 5.2843 5.2843 11.2314 11.2314 12.3841 12.3841 12.5063 12.5063 12.9292 12.9292 13.1511 13.1511 13.5849 13.5849 14.2706 14.2706 14.2833 14.2833 14.9835 14.9835 15.0244 15.0244 15.0710 15.0710 15.6487 15.6487 16.1924 16.1924 16.9092 16.9092 17.0177 17.0177 k = 0.1923-0.1110 0.1570 ( 4588 PWs) bands (ev): -41.5544 -41.5544 -18.2636 -18.2636 -17.6117 -17.6117 -17.6091 -17.6091 -6.2922 -6.2922 -6.2883 -6.2883 -5.2786 -5.2786 -5.2587 -5.2587 -5.2572 -5.2572 5.3391 5.3391 11.1589 11.1589 12.3996 12.3996 12.5236 12.5236 12.9494 12.9494 13.1687 13.1687 13.5237 13.5237 14.2745 14.2745 14.2873 14.2873 14.9385 14.9385 14.9855 14.9855 15.0576 15.0576 15.6476 15.6476 16.2033 16.2033 16.8744 16.8744 16.9928 16.9928 k = 0.2019-0.1166 0.1649 ( 4584 PWs) bands (ev): -41.5544 -41.5544 -18.2637 -18.2637 -17.6120 -17.6120 -17.6092 -17.6092 -6.2921 -6.2921 -6.2879 -6.2879 -5.2784 -5.2784 -5.2583 -5.2583 -5.2569 -5.2569 5.3961 5.3961 11.0868 11.0868 12.4158 12.4158 12.5416 12.5416 12.9704 12.9704 13.1848 13.1848 13.4618 13.4618 14.2784 14.2784 14.2913 14.2913 14.8942 14.8942 14.9437 14.9437 15.0494 15.0494 15.6466 15.6466 16.2126 16.2126 16.8383 16.8383 16.9669 16.9669 k = 0.2115-0.1221 0.1727 ( 4576 PWs) bands (ev): -41.5544 -41.5544 -18.2639 -18.2639 -17.6123 -17.6123 -17.6093 -17.6093 -6.2920 -6.2920 -6.2876 -6.2876 -5.2783 -5.2783 -5.2580 -5.2580 -5.2566 -5.2566 5.4552 5.4552 11.0152 11.0152 12.4326 12.4326 12.5602 12.5602 12.9920 12.9920 13.1992 13.1992 13.3998 13.3998 14.2820 14.2820 14.2949 14.2949 14.8509 14.8509 14.9018 14.9018 15.0436 15.0436 15.6455 15.6455 16.2205 16.2205 16.8010 16.8010 16.9402 16.9402 k = 0.2212-0.1277 0.1806 ( 4576 PWs) bands (ev): -41.5544 -41.5544 -18.2641 -18.2641 -17.6126 -17.6126 -17.6094 -17.6094 -6.2919 -6.2919 -6.2873 -6.2873 -5.2781 -5.2781 -5.2576 -5.2576 -5.2563 -5.2563 5.5162 5.5162 10.9443 10.9443 12.4499 12.4499 12.5795 12.5795 13.0143 13.0143 13.2118 13.2118 13.3377 13.3377 14.2852 14.2852 14.2982 14.2982 14.8090 14.8090 14.8606 14.8606 15.0396 15.0396 15.6443 15.6443 16.2270 16.2270 16.7624 16.7624 16.9128 16.9128 k = 0.2308-0.1332 0.1884 ( 4576 PWs) bands (ev): -41.5543 -41.5543 -18.2642 -18.2642 -17.6128 -17.6128 -17.6095 -17.6095 -6.2918 -6.2918 -6.2870 -6.2870 -5.2780 -5.2780 -5.2571 -5.2571 -5.2561 -5.2561 5.5791 5.5791 10.8742 10.8742 12.4677 12.4677 12.5993 12.5993 13.0372 13.0372 13.2223 13.2223 13.2760 13.2760 14.2878 14.2878 14.3008 14.3008 14.7687 14.7687 14.8208 14.8208 15.0369 15.0369 15.6432 15.6432 16.2323 16.2323 16.7226 16.7226 16.8846 16.8846 k = 0.2404-0.1388 0.1963 ( 4576 PWs) bands (ev): -41.5543 -41.5543 -18.2644 -18.2644 -17.6131 -17.6131 -17.6096 -17.6096 -6.2917 -6.2917 -6.2867 -6.2867 -5.2779 -5.2779 -5.2567 -5.2567 -5.2559 -5.2559 5.6437 5.6437 10.8053 10.8053 12.4859 12.4859 12.6196 12.6196 13.0604 13.0604 13.2149 13.2149 13.2307 13.2307 14.2896 14.2896 14.3024 14.3024 14.7304 14.7304 14.7828 14.7828 15.0353 15.0353 15.6421 15.6421 16.2363 16.2363 16.6816 16.6816 16.8559 16.8559 k = 0.2500-0.1443 0.2041 ( 4584 PWs) bands (ev): -41.5543 -41.5543 -18.2646 -18.2646 -17.6134 -17.6134 -17.6097 -17.6097 -6.2916 -6.2916 -6.2864 -6.2864 -5.2777 -5.2777 -5.2563 -5.2563 -5.2557 -5.2557 5.7098 5.7098 10.7376 10.7376 12.5045 12.5045 12.6404 12.6404 13.0834 13.0834 13.1553 13.1553 13.2366 13.2366 14.2901 14.2901 14.3028 14.3028 14.6947 14.6947 14.7472 14.7472 15.0347 15.0347 15.6409 15.6409 16.2392 16.2392 16.6397 16.6397 16.8266 16.8266 k = 0.2596-0.1499 0.2120 ( 4576 PWs) bands (ev): -41.5542 -41.5542 -18.2647 -18.2647 -17.6137 -17.6137 -17.6098 -17.6098 -6.2915 -6.2915 -6.2861 -6.2861 -5.2776 -5.2776 -5.2559 -5.2559 -5.2556 -5.2556 5.7774 5.7774 10.6713 10.6713 12.5234 12.5234 12.6616 12.6616 13.0883 13.0883 13.1152 13.1152 13.2400 13.2400 14.2889 14.2889 14.3014 14.3014 14.6620 14.6620 14.7145 14.7145 15.0350 15.0350 15.6398 15.6398 16.2411 16.2411 16.5969 16.5969 16.7969 16.7969 k = 0.2692-0.1554 0.2198 ( 4576 PWs) bands (ev): -41.5542 -41.5542 -18.2649 -18.2649 -17.6139 -17.6139 -17.6099 -17.6099 -6.2914 -6.2914 -6.2859 -6.2859 -5.2775 -5.2775 -5.2555 -5.2555 -5.2554 -5.2554 5.8461 5.8461 10.6065 10.6065 12.5426 12.5426 12.6832 12.6832 13.0343 13.0343 13.1355 13.1355 13.2406 13.2406 14.2855 14.2855 14.2978 14.2978 14.6329 14.6329 14.6852 14.6852 15.0360 15.0360 15.6387 15.6387 16.2421 16.2421 16.5535 16.5535 16.7668 16.7668 k = 0.2788-0.1610 0.2277 ( 4560 PWs) bands (ev): -41.5542 -41.5542 -18.2650 -18.2650 -17.6142 -17.6142 -17.6099 -17.6099 -6.2913 -6.2913 -6.2856 -6.2856 -5.2774 -5.2774 -5.2554 -5.2554 -5.2550 -5.2550 5.9159 5.9159 10.5435 10.5435 12.5620 12.5620 12.7051 12.7051 12.9778 12.9778 13.1599 13.1599 13.2382 13.2382 14.2794 14.2794 14.2914 14.2914 14.6080 14.6080 14.6601 14.6601 15.0376 15.0376 15.6376 15.6376 16.2422 16.2422 16.5097 16.5097 16.7365 16.7365 k = 0.2885-0.1665 0.2355 ( 4568 PWs) bands (ev): -41.5542 -41.5542 -18.2652 -18.2652 -17.6145 -17.6145 -17.6100 -17.6100 -6.2913 -6.2913 -6.2854 -6.2854 -5.2774 -5.2774 -5.2553 -5.2553 -5.2545 -5.2545 5.9864 5.9864 10.4822 10.4822 12.5816 12.5816 12.7271 12.7271 12.9225 12.9225 13.1849 13.1849 13.2328 13.2328 14.2702 14.2702 14.2818 14.2818 14.5878 14.5878 14.6394 14.6394 15.0397 15.0397 15.6365 15.6365 16.2416 16.2416 16.4658 16.4658 16.7060 16.7060 k = 0.2981-0.1721 0.2434 ( 4568 PWs) bands (ev): -41.5541 -41.5541 -18.2653 -18.2653 -17.6147 -17.6147 -17.6101 -17.6101 -6.2912 -6.2912 -6.2852 -6.2852 -5.2773 -5.2773 -5.2553 -5.2553 -5.2541 -5.2541 6.0576 6.0576 10.4229 10.4229 12.6012 12.6012 12.7491 12.7491 12.8691 12.8691 13.2100 13.2100 13.2242 13.2242 14.2577 14.2577 14.2689 14.2689 14.5725 14.5725 14.6236 14.6236 15.0423 15.0423 15.6354 15.6354 16.2403 16.2403 16.4221 16.4221 16.6755 16.6755 k = 0.3077-0.1776 0.2512 ( 4568 PWs) bands (ev): -41.5541 -41.5541 -18.2654 -18.2654 -17.6149 -17.6149 -17.6102 -17.6102 -6.2911 -6.2911 -6.2850 -6.2850 -5.2772 -5.2772 -5.2553 -5.2553 -5.2536 -5.2536 6.1291 6.1291 10.3657 10.3657 12.6208 12.6208 12.7697 12.7697 12.8188 12.8188 13.2124 13.2124 13.2352 13.2352 14.2420 14.2420 14.2526 14.2526 14.5620 14.5620 14.6126 14.6126 15.0453 15.0453 15.6344 15.6344 16.2384 16.2384 16.3790 16.3790 16.6451 16.6451 k = 0.3173-0.1832 0.2591 ( 4576 PWs) bands (ev): -41.5541 -41.5541 -18.2656 -18.2656 -17.6152 -17.6152 -17.6103 -17.6103 -6.2910 -6.2910 -6.2849 -6.2849 -5.2771 -5.2771 -5.2553 -5.2553 -5.2532 -5.2532 6.2006 6.2006 10.3106 10.3106 12.6404 12.6404 12.7611 12.7611 12.7997 12.7997 13.1973 13.1973 13.2603 13.2603 14.2234 14.2234 14.2334 14.2334 14.5558 14.5558 14.6059 14.6059 15.0486 15.0486 15.6334 15.6334 16.2359 16.2359 16.3368 16.3368 16.6148 16.6148 k = 0.3269-0.1887 0.2669 ( 4576 PWs) bands (ev): -41.5541 -41.5541 -18.2657 -18.2657 -17.6154 -17.6154 -17.6104 -17.6104 -6.2909 -6.2909 -6.2847 -6.2847 -5.2771 -5.2771 -5.2553 -5.2553 -5.2528 -5.2528 6.2720 6.2720 10.2577 10.2577 12.6598 12.6598 12.7155 12.7155 12.8195 12.8195 13.1790 13.1790 13.2852 13.2852 14.2028 14.2028 14.2118 14.2118 14.5535 14.5535 14.6032 14.6032 15.0522 15.0522 15.6324 15.6324 16.2331 16.2331 16.2959 16.2959 16.5849 16.5849 k = 0.3365-0.1943 0.2748 ( 4576 PWs) bands (ev): -41.5540 -41.5540 -18.2658 -18.2658 -17.6156 -17.6156 -17.6105 -17.6105 -6.2909 -6.2909 -6.2846 -6.2846 -5.2770 -5.2770 -5.2554 -5.2554 -5.2524 -5.2524 6.3429 6.3429 10.2072 10.2072 12.6698 12.6698 12.6789 12.6789 12.8414 12.8414 13.1576 13.1576 13.3098 13.3098 14.1807 14.1807 14.1883 14.1883 14.5543 14.5543 14.6037 14.6037 15.0559 15.0559 15.6314 15.6314 16.2298 16.2298 16.2567 16.2567 16.5554 16.5554 k = 0.3462-0.1999 0.2826 ( 4564 PWs) bands (ev): -41.5540 -41.5540 -18.2659 -18.2659 -17.6158 -17.6158 -17.6105 -17.6105 -6.2908 -6.2908 -6.2845 -6.2845 -5.2770 -5.2770 -5.2555 -5.2555 -5.2520 -5.2520 6.4129 6.4129 10.1591 10.1591 12.6259 12.6259 12.6977 12.6977 12.8634 12.8634 13.1333 13.1333 13.3340 13.3340 14.1578 14.1578 14.1637 14.1637 14.5575 14.5575 14.6069 14.6069 15.0598 15.0598 15.6305 15.6305 16.2194 16.2194 16.2263 16.2263 16.5264 16.5264 k = 0.3558-0.2054 0.2905 ( 4564 PWs) bands (ev): -41.5540 -41.5540 -18.2661 -18.2661 -17.6159 -17.6159 -17.6106 -17.6106 -6.2907 -6.2907 -6.2844 -6.2844 -5.2770 -5.2770 -5.2555 -5.2555 -5.2516 -5.2516 6.4818 6.4818 10.1135 10.1135 12.5843 12.5843 12.7161 12.7161 12.8853 12.8853 13.1064 13.1064 13.3576 13.3576 14.1346 14.1346 14.1386 14.1386 14.5625 14.5625 14.6121 14.6121 15.0638 15.0638 15.6297 15.6297 16.1843 16.1843 16.2226 16.2226 16.4982 16.4982 k = 0.3654-0.2110 0.2983 ( 4564 PWs) bands (ev): -41.5540 -41.5540 -18.2662 -18.2662 -17.6161 -17.6161 -17.6107 -17.6107 -6.2907 -6.2907 -6.2844 -6.2844 -5.2769 -5.2769 -5.2556 -5.2556 -5.2512 -5.2512 6.5491 6.5491 10.0705 10.0705 12.5449 12.5449 12.7340 12.7340 12.9068 12.9068 13.0773 13.0773 13.3806 13.3806 14.1116 14.1116 14.1132 14.1132 14.5690 14.5690 14.6189 14.6189 15.0678 15.0678 15.6289 15.6289 16.1517 16.1517 16.2187 16.2187 16.4709 16.4709 k = 0.3750-0.2165 0.3062 ( 4552 PWs) bands (ev): -41.5539 -41.5539 -18.2663 -18.2663 -17.6163 -17.6163 -17.6108 -17.6108 -6.2906 -6.2906 -6.2843 -6.2843 -5.2769 -5.2769 -5.2558 -5.2558 -5.2508 -5.2508 6.6145 6.6145 10.0301 10.0301 12.5080 12.5080 12.7513 12.7513 12.9278 12.9278 13.0464 13.0464 13.4028 13.4028 14.0881 14.0881 14.0891 14.0891 14.5765 14.5765 14.6268 14.6268 15.0718 15.0718 15.6281 15.6281 16.1216 16.1216 16.2147 16.2147 16.4446 16.4446 k = 0.3846-0.2221 0.3140 ( 4552 PWs) bands (ev): -41.5539 -41.5539 -18.2663 -18.2663 -17.6164 -17.6164 -17.6108 -17.6108 -6.2906 -6.2906 -6.2842 -6.2842 -5.2769 -5.2769 -5.2559 -5.2559 -5.2505 -5.2505 6.6776 6.6776 9.9923 9.9923 12.4735 12.4735 12.7678 12.7678 12.9482 12.9482 13.0142 13.0142 13.4240 13.4240 14.0636 14.0636 14.0674 14.0674 14.5846 14.5846 14.6355 14.6355 15.0757 15.0757 15.6274 15.6274 16.0941 16.0941 16.2107 16.2107 16.4194 16.4194 k = 0.3942-0.2276 0.3219 ( 4556 PWs) bands (ev): -41.5539 -41.5539 -18.2664 -18.2664 -17.6165 -17.6165 -17.6109 -17.6109 -6.2905 -6.2905 -6.2842 -6.2842 -5.2769 -5.2769 -5.2560 -5.2560 -5.2502 -5.2502 6.7380 6.7380 9.9574 9.9574 12.4416 12.4416 12.7834 12.7834 12.9678 12.9678 12.9813 12.9813 13.4442 13.4442 14.0400 14.0400 14.0468 14.0468 14.5931 14.5931 14.6447 14.6447 15.0795 15.0795 15.6267 15.6267 16.0694 16.0694 16.2068 16.2068 16.3955 16.3955 k = 0.4038-0.2332 0.3297 ( 4556 PWs) bands (ev): -41.5539 -41.5539 -18.2665 -18.2665 -17.6167 -17.6167 -17.6109 -17.6109 -6.2905 -6.2905 -6.2842 -6.2842 -5.2768 -5.2768 -5.2561 -5.2561 -5.2499 -5.2499 6.7951 6.7951 9.9252 9.9252 12.4123 12.4123 12.7981 12.7981 12.9483 12.9483 12.9865 12.9865 13.4632 13.4632 14.0175 14.0175 14.0274 14.0274 14.6017 14.6017 14.6541 14.6541 15.0832 15.0832 15.6261 15.6261 16.0473 16.0473 16.2030 16.2030 16.3731 16.3731 k = 0.4135-0.2387 0.3376 ( 4544 PWs) bands (ev): -41.5539 -41.5539 -18.2666 -18.2666 -17.6168 -17.6168 -17.6110 -17.6110 -6.2904 -6.2904 -6.2842 -6.2842 -5.2768 -5.2768 -5.2562 -5.2562 -5.2496 -5.2496 6.8486 6.8486 9.8959 9.8959 12.3856 12.3856 12.8116 12.8116 12.9160 12.9160 13.0042 13.0042 13.4809 13.4809 13.9963 13.9963 14.0095 14.0095 14.6103 14.6103 14.6634 14.6634 15.0867 15.0867 15.6256 15.6256 16.0278 16.0278 16.1994 16.1994 16.3523 16.3523 k = 0.4231-0.2443 0.3454 ( 4544 PWs) bands (ev): -41.5539 -41.5539 -18.2666 -18.2666 -17.6169 -17.6169 -17.6110 -17.6110 -6.2904 -6.2904 -6.2841 -6.2841 -5.2768 -5.2768 -5.2564 -5.2564 -5.2494 -5.2494 6.8980 6.8980 9.8695 9.8695 12.3617 12.3617 12.8234 12.8234 12.8854 12.8854 13.0207 13.0207 13.4971 13.4971 13.9766 13.9766 13.9930 13.9930 14.6185 14.6185 14.6724 14.6724 15.0899 15.0899 15.6251 15.6251 16.0109 16.0109 16.1959 16.1959 16.3332 16.3332 k = 0.4327-0.2498 0.3533 ( 4544 PWs) bands (ev): -41.5538 -41.5538 -18.2667 -18.2667 -17.6170 -17.6170 -17.6111 -17.6111 -6.2904 -6.2904 -6.2841 -6.2841 -5.2768 -5.2768 -5.2565 -5.2565 -5.2492 -5.2492 6.9429 6.9429 9.8461 9.8461 12.3405 12.3405 12.8313 12.8313 12.8595 12.8595 13.0358 13.0358 13.5118 13.5118 13.9587 13.9587 13.9782 13.9782 14.6263 14.6263 14.6810 14.6810 15.0928 15.0928 15.6246 15.6246 15.9963 15.9963 16.1928 16.1928 16.3160 16.3160 k = 0.4423-0.2554 0.3611 ( 4528 PWs) bands (ev): -41.5538 -41.5538 -18.2667 -18.2667 -17.6170 -17.6170 -17.6111 -17.6111 -6.2903 -6.2903 -6.2841 -6.2841 -5.2768 -5.2768 -5.2566 -5.2566 -5.2490 -5.2490 6.9829 6.9829 9.8256 9.8256 12.3220 12.3220 12.8213 12.8213 12.8525 12.8525 13.0494 13.0494 13.5248 13.5248 13.9426 13.9426 13.9652 13.9652 14.6335 14.6335 14.6888 14.6888 15.0954 15.0954 15.6243 15.6243 15.9840 15.9840 16.1899 16.1899 16.3008 16.3008 k = 0.4519-0.2609 0.3690 ( 4516 PWs) bands (ev): -41.5538 -41.5538 -18.2668 -18.2668 -17.6171 -17.6171 -17.6111 -17.6111 -6.2903 -6.2903 -6.2841 -6.2841 -5.2768 -5.2768 -5.2567 -5.2567 -5.2488 -5.2488 7.0175 7.0175 9.8083 9.8083 12.3063 12.3063 12.7999 12.7999 12.8586 12.8586 13.0612 13.0612 13.5360 13.5360 13.9287 13.9287 13.9540 13.9540 14.6398 14.6398 14.6958 14.6958 15.0977 15.0977 15.6239 15.6239 15.9739 15.9739 16.1874 16.1874 16.2878 16.2878 k = 0.4615-0.2665 0.3768 ( 4516 PWs) bands (ev): -41.5538 -41.5538 -18.2668 -18.2668 -17.6171 -17.6171 -17.6112 -17.6112 -6.2903 -6.2903 -6.2841 -6.2841 -5.2768 -5.2768 -5.2567 -5.2567 -5.2487 -5.2487 7.0463 7.0463 9.7940 9.7940 12.2935 12.2935 12.7801 12.7801 12.8652 12.8652 13.0712 13.0712 13.5453 13.5453 13.9170 13.9170 13.9447 13.9447 14.6452 14.6452 14.7017 14.7017 15.0996 15.0996 15.6237 15.6237 15.9658 15.9658 16.1853 16.1853 16.2770 16.2770 k = 0.4712-0.2720 0.3847 ( 4520 PWs) bands (ev): -41.5538 -41.5538 -18.2668 -18.2668 -17.6172 -17.6172 -17.6112 -17.6112 -6.2903 -6.2903 -6.2841 -6.2841 -5.2768 -5.2768 -5.2568 -5.2568 -5.2486 -5.2486 7.0691 7.0691 9.7828 9.7828 12.2835 12.2835 12.7639 12.7639 12.8707 12.8707 13.0791 13.0791 13.5526 13.5526 13.9077 13.9077 13.9375 13.9375 14.6495 14.6495 14.7064 14.7064 15.1011 15.1011 15.6235 15.6235 15.9596 15.9596 16.1837 16.1837 16.2685 16.2685 k = 0.4808-0.2776 0.3925 ( 4544 PWs) bands (ev): -41.5538 -41.5538 -18.2668 -18.2668 -17.6172 -17.6172 -17.6112 -17.6112 -6.2902 -6.2902 -6.2841 -6.2841 -5.2768 -5.2768 -5.2568 -5.2568 -5.2485 -5.2485 7.0856 7.0856 9.7749 9.7749 12.2763 12.2763 12.7520 12.7520 12.8747 12.8747 13.0849 13.0849 13.5579 13.5579 13.9010 13.9010 13.9322 13.9322 14.6526 14.6526 14.7099 14.7099 15.1022 15.1022 15.6233 15.6233 15.9553 15.9553 16.1824 16.1824 16.2624 16.2624 k = 0.4904-0.2831 0.4004 ( 4552 PWs) bands (ev): -41.5538 -41.5538 -18.2669 -18.2669 -17.6172 -17.6172 -17.6112 -17.6112 -6.2902 -6.2902 -6.2841 -6.2841 -5.2768 -5.2768 -5.2569 -5.2569 -5.2485 -5.2485 7.0956 7.0956 9.7701 9.7701 12.2720 12.2720 12.7447 12.7447 12.8771 12.8771 13.0884 13.0884 13.5610 13.5610 13.8969 13.8969 13.9290 13.9290 14.6545 14.6545 14.7121 14.7121 15.1028 15.1028 15.6232 15.6232 15.9527 15.9527 16.1817 16.1817 16.2587 16.2587 k = 0.5000-0.2887 0.4082 ( 4568 PWs) bands (ev): -41.5538 -41.5538 -18.2669 -18.2669 -17.6172 -17.6172 -17.6112 -17.6112 -6.2902 -6.2902 -6.2841 -6.2841 -5.2768 -5.2768 -5.2569 -5.2569 -5.2485 -5.2485 7.0989 7.0989 9.7685 9.7685 12.2706 12.2706 12.7422 12.7422 12.8780 12.8780 13.0896 13.0896 13.5621 13.5621 13.8956 13.8956 13.9280 13.9280 14.6552 14.6552 14.7128 14.7128 15.1030 15.1030 15.6232 15.6232 15.9519 15.9519 16.1814 16.1814 16.2575 16.2575 k = 0.5000-0.2887 0.4082 ( 4568 PWs) bands (ev): -41.5538 -41.5538 -18.2669 -18.2669 -17.6172 -17.6172 -17.6112 -17.6112 -6.2902 -6.2902 -6.2841 -6.2841 -5.2768 -5.2768 -5.2569 -5.2569 -5.2485 -5.2485 7.0989 7.0989 9.7685 9.7685 12.2706 12.2706 12.7422 12.7422 12.8780 12.8780 13.0896 13.0896 13.5621 13.5621 13.8956 13.8956 13.9280 13.9280 14.6552 14.6552 14.7128 14.7128 15.1030 15.1030 15.6232 15.6232 15.9519 15.9519 16.1814 16.1814 16.2575 16.2575 k = 0.5000-0.2776 0.4161 ( 4560 PWs) bands (ev): -41.5538 -41.5538 -18.2669 -18.2669 -17.6172 -17.6172 -17.6112 -17.6112 -6.2902 -6.2902 -6.2841 -6.2841 -5.2768 -5.2768 -5.2569 -5.2569 -5.2485 -5.2485 7.0993 7.0993 9.7697 9.7697 12.2615 12.2615 12.7358 12.7358 12.8858 12.8858 13.0927 13.0927 13.5616 13.5616 13.8965 13.8965 13.9288 13.9288 14.6542 14.6542 14.7116 14.7116 15.1022 15.1022 15.6251 15.6251 15.9519 15.9519 16.1822 16.1822 16.2602 16.2602 k = 0.5000-0.2665 0.4240 ( 4544 PWs) bands (ev): -41.5538 -41.5538 -18.2669 -18.2669 -17.6172 -17.6172 -17.6112 -17.6112 -6.2902 -6.2902 -6.2841 -6.2841 -5.2767 -5.2767 -5.2568 -5.2568 -5.2485 -5.2485 7.1006 7.1006 9.7736 9.7736 12.2355 12.2355 12.7188 12.7188 12.9062 12.9062 13.1023 13.1023 13.5600 13.5600 13.8992 13.8992 13.9314 13.9314 14.6511 14.6511 14.7084 14.7084 15.0999 15.0999 15.6307 15.6307 15.9519 15.9519 16.1847 16.1847 16.2682 16.2682 k = 0.5000-0.2554 0.4318 ( 4538 PWs) bands (ev): -41.5538 -41.5538 -18.2669 -18.2669 -17.6172 -17.6172 -17.6113 -17.6113 -6.2901 -6.2901 -6.2841 -6.2841 -5.2766 -5.2766 -5.2568 -5.2568 -5.2485 -5.2485 7.1028 7.1028 9.7801 9.7801 12.1956 12.1956 12.6944 12.6944 12.9328 12.9328 13.1184 13.1184 13.5575 13.5575 13.9034 13.9034 13.9358 13.9358 14.6455 14.6455 14.7038 14.7038 15.0960 15.0960 15.6397 15.6397 15.9520 15.9520 16.1887 16.1887 16.2814 16.2814 k = 0.5000-0.2443 0.4397 ( 4532 PWs) bands (ev): -41.5538 -41.5538 -18.2669 -18.2669 -17.6172 -17.6172 -17.6113 -17.6113 -6.2901 -6.2901 -6.2841 -6.2841 -5.2766 -5.2766 -5.2568 -5.2568 -5.2485 -5.2485 7.1058 7.1058 9.7891 9.7891 12.1449 12.1449 12.6645 12.6645 12.9606 12.9606 13.1412 13.1412 13.5542 13.5542 13.9085 13.9085 13.9424 13.9424 14.6366 14.6366 14.6989 14.6989 15.0907 15.0907 15.6517 15.6517 15.9520 15.9520 16.1945 16.1945 16.2994 16.2994 k = 0.5000-0.2332 0.4475 ( 4540 PWs) bands (ev): -41.5538 -41.5538 -18.2669 -18.2669 -17.6171 -17.6171 -17.6114 -17.6114 -6.2900 -6.2900 -6.2842 -6.2842 -5.2764 -5.2764 -5.2567 -5.2567 -5.2486 -5.2486 7.1096 7.1096 9.8007 9.8007 12.0865 12.0865 12.6301 12.6301 12.9860 12.9860 13.1708 13.1708 13.5505 13.5505 13.9141 13.9141 13.9513 13.9513 14.6243 14.6243 14.6944 14.6944 15.0840 15.0840 15.6662 15.6662 15.9521 15.9521 16.2020 16.2020 16.3219 16.3219 k = 0.5000-0.2221 0.4554 ( 4548 PWs) bands (ev): -41.5538 -41.5538 -18.2669 -18.2669 -17.6171 -17.6171 -17.6114 -17.6114 -6.2899 -6.2899 -6.2842 -6.2842 -5.2763 -5.2763 -5.2567 -5.2567 -5.2486 -5.2486 7.1141 7.1141 9.8148 9.8148 12.0224 12.0224 12.5920 12.5920 13.0076 13.0076 13.2061 13.2061 13.5465 13.5465 13.9199 13.9199 13.9625 13.9625 14.6087 14.6087 14.6908 14.6908 15.0760 15.0760 15.6827 15.6827 15.9522 15.9522 16.2113 16.2113 16.3484 16.3484 k = 0.5000-0.2110 0.4632 ( 4554 PWs) bands (ev): -41.5538 -41.5538 -18.2669 -18.2669 -17.6171 -17.6171 -17.6115 -17.6115 -6.2897 -6.2897 -6.2842 -6.2842 -5.2761 -5.2761 -5.2566 -5.2566 -5.2487 -5.2487 7.1193 7.1193 9.8315 9.8315 11.9545 11.9545 12.5508 12.5508 13.0251 13.0251 13.2453 13.2453 13.5424 13.5424 13.9260 13.9260 13.9757 13.9757 14.5905 14.5905 14.6879 14.6879 15.0668 15.0668 15.7005 15.7005 15.9524 15.9524 16.2225 16.2225 16.3784 16.3784 k = 0.5000-0.1999 0.4711 ( 4554 PWs) bands (ev): -41.5538 -41.5538 -18.2669 -18.2669 -17.6170 -17.6170 -17.6116 -17.6116 -6.2896 -6.2896 -6.2842 -6.2842 -5.2760 -5.2760 -5.2565 -5.2565 -5.2487 -5.2487 7.1252 7.1252 9.8507 9.8507 11.8837 11.8837 12.5074 12.5074 13.0393 13.0393 13.2866 13.2866 13.5385 13.5385 13.9323 13.9323 13.9906 13.9906 14.5702 14.5702 14.6856 14.6856 15.0566 15.0566 15.7192 15.7192 15.9525 15.9525 16.2357 16.2357 16.4113 16.4113 k = 0.5000-0.1887 0.4789 ( 4562 PWs) bands (ev): -41.5538 -41.5538 -18.2669 -18.2669 -17.6170 -17.6170 -17.6117 -17.6117 -6.2894 -6.2894 -6.2842 -6.2842 -5.2758 -5.2758 -5.2564 -5.2564 -5.2488 -5.2488 7.1316 7.1316 9.8724 9.8724 11.8110 11.8110 12.4622 12.4622 13.0508 13.0508 13.3283 13.3283 13.5349 13.5349 13.9388 13.9388 14.0068 14.0068 14.5488 14.5488 14.6838 14.6838 15.0454 15.0454 15.7381 15.7381 15.9526 15.9526 16.2510 16.2510 16.4467 16.4467 k = 0.5000-0.1776 0.4868 ( 4562 PWs) bands (ev): -41.5538 -41.5538 -18.2670 -18.2670 -17.6169 -17.6169 -17.6118 -17.6118 -6.2892 -6.2892 -6.2843 -6.2843 -5.2756 -5.2756 -5.2563 -5.2563 -5.2489 -5.2489 7.1384 7.1384 9.8966 9.8966 11.7369 11.7369 12.4159 12.4159 13.0603 13.0603 13.3690 13.3690 13.5319 13.5319 13.9457 13.9457 14.0240 14.0240 14.5268 14.5268 14.6822 14.6822 15.0335 15.0335 15.7570 15.7570 15.9527 15.9527 16.2685 16.2685 16.4840 16.4840 k = 0.5000-0.1665 0.4946 ( 4550 PWs) bands (ev): -41.5538 -41.5538 -18.2670 -18.2670 -17.6168 -17.6168 -17.6119 -17.6119 -6.2890 -6.2890 -6.2843 -6.2843 -5.2754 -5.2754 -5.2562 -5.2562 -5.2490 -5.2490 7.1457 7.1457 9.9233 9.9233 11.6621 11.6621 12.3692 12.3692 13.0683 13.0683 13.4076 13.4076 13.5295 13.5295 13.9528 13.9528 14.0419 14.0419 14.5047 14.5047 14.6808 14.6808 15.0209 15.0209 15.7753 15.7753 15.9528 15.9528 16.2882 16.2882 16.5226 16.5226 k = 0.5000-0.1554 0.5025 ( 4550 PWs) bands (ev): -41.5538 -41.5538 -18.2670 -18.2670 -17.6168 -17.6168 -17.6120 -17.6120 -6.2888 -6.2888 -6.2844 -6.2844 -5.2752 -5.2752 -5.2561 -5.2561 -5.2491 -5.2491 7.1532 7.1532 9.9524 9.9524 11.5869 11.5869 12.3226 12.3226 13.0750 13.0750 13.4436 13.4436 13.5278 13.5278 13.9602 13.9602 14.0602 14.0602 14.4830 14.4830 14.6797 14.6797 15.0079 15.0079 15.7929 15.7929 15.9528 15.9528 16.3101 16.3101 16.5623 16.5623 k = 0.5000-0.1443 0.5103 ( 4546 PWs) bands (ev): -41.5538 -41.5538 -18.2670 -18.2670 -17.6167 -17.6167 -17.6121 -17.6121 -6.2886 -6.2886 -6.2844 -6.2844 -5.2750 -5.2750 -5.2559 -5.2559 -5.2492 -5.2492 7.1609 7.1609 9.9839 9.9839 11.5116 11.5116 12.2766 12.2766 13.0807 13.0807 13.4762 13.4762 13.5270 13.5270 13.9678 13.9678 14.0789 14.0789 14.4621 14.4621 14.6786 14.6786 14.9947 14.9947 15.8095 15.8095 15.9527 15.9527 16.3342 16.3342 16.6025 16.6025 k = 0.5000-0.1332 0.5182 ( 4556 PWs) bands (ev): -41.5538 -41.5538 -18.2670 -18.2670 -17.6166 -17.6166 -17.6123 -17.6123 -6.2884 -6.2884 -6.2845 -6.2845 -5.2747 -5.2747 -5.2558 -5.2558 -5.2493 -5.2493 7.1686 7.1686 10.0178 10.0178 11.4365 11.4365 12.2318 12.2318 13.0856 13.0856 13.5051 13.5051 13.5272 13.5272 13.9755 13.9755 14.0975 14.0975 14.4424 14.4424 14.6776 14.6776 14.9813 14.9813 15.8250 15.8250 15.9525 15.9525 16.3602 16.3602 16.6428 16.6428 k = 0.5000-0.1221 0.5260 ( 4556 PWs) bands (ev): -41.5538 -41.5538 -18.2670 -18.2670 -17.6165 -17.6165 -17.6124 -17.6124 -6.2882 -6.2882 -6.2845 -6.2845 -5.2745 -5.2745 -5.2556 -5.2556 -5.2494 -5.2494 7.1763 7.1763 10.0540 10.0540 11.3618 11.3618 12.1887 12.1887 13.0897 13.0897 13.5260 13.5260 13.5324 13.5324 13.9833 13.9833 14.1160 14.1160 14.4240 14.4240 14.6768 14.6768 14.9680 14.9680 15.8393 15.8393 15.9522 15.9522 16.3882 16.3882 16.6831 16.6831 k = 0.5000-0.1110 0.5339 ( 4554 PWs) bands (ev): -41.5538 -41.5538 -18.2671 -18.2671 -17.6164 -17.6164 -17.6125 -17.6125 -6.2880 -6.2880 -6.2846 -6.2846 -5.2743 -5.2743 -5.2555 -5.2555 -5.2495 -5.2495 7.1838 7.1838 10.0925 10.0925 11.2877 11.2877 12.1477 12.1477 13.0933 13.0933 13.5292 13.5292 13.5521 13.5521 13.9909 13.9909 14.1343 14.1343 14.4071 14.4071 14.6760 14.6760 14.9549 14.9549 15.8524 15.8524 15.9518 15.9518 16.4180 16.4180 16.7229 16.7229 k = 0.5000-0.0999 0.5417 ( 4550 PWs) bands (ev): -41.5538 -41.5538 -18.2671 -18.2671 -17.6163 -17.6163 -17.6126 -17.6126 -6.2877 -6.2877 -6.2847 -6.2847 -5.2741 -5.2741 -5.2553 -5.2553 -5.2497 -5.2497 7.1911 7.1911 10.1333 10.1333 11.2144 11.2144 12.1093 12.1093 13.0963 13.0963 13.5321 13.5321 13.5691 13.5691 13.9983 13.9983 14.1520 14.1520 14.3917 14.3917 14.6753 14.6753 14.9424 14.9424 15.8643 15.8643 15.9512 15.9512 16.4493 16.4493 16.7620 16.7620 k = 0.5000-0.0888 0.5496 ( 4542 PWs) bands (ev): -41.5538 -41.5538 -18.2671 -18.2671 -17.6163 -17.6163 -17.6128 -17.6128 -6.2875 -6.2875 -6.2848 -6.2848 -5.2740 -5.2740 -5.2552 -5.2552 -5.2498 -5.2498 7.1979 7.1979 10.1762 10.1762 11.1421 11.1421 12.0738 12.0738 13.0989 13.0989 13.5358 13.5358 13.5822 13.5822 14.0054 14.0054 14.1691 14.1691 14.3779 14.3779 14.6747 14.6747 14.9305 14.9305 15.8751 15.8751 15.9505 15.9505 16.4821 16.4821 16.8002 16.8002 k = 0.5000-0.0777 0.5574 ( 4546 PWs) bands (ev): -41.5538 -41.5538 -18.2671 -18.2671 -17.6162 -17.6162 -17.6129 -17.6129 -6.2873 -6.2873 -6.2848 -6.2848 -5.2738 -5.2738 -5.2550 -5.2550 -5.2499 -5.2499 7.2042 7.2042 10.2213 10.2213 11.0709 11.0709 12.0417 12.0417 13.1010 13.1010 13.5403 13.5403 13.5916 13.5916 14.0121 14.0121 14.1855 14.1855 14.3656 14.3656 14.6741 14.6741 14.9194 14.9194 15.8849 15.8849 15.9495 15.9495 16.5159 16.5159 16.8371 16.8371 k = 0.5000-0.0666 0.5653 ( 4548 PWs) bands (ev): -41.5538 -41.5538 -18.2671 -18.2671 -17.6161 -17.6161 -17.6130 -17.6130 -6.2871 -6.2871 -6.2849 -6.2849 -5.2736 -5.2736 -5.2549 -5.2549 -5.2500 -5.2500 7.2099 7.2099 10.2683 10.2683 11.0011 11.0011 12.0132 12.0132 13.1028 13.1028 13.5455 13.5455 13.5977 13.5977 14.0181 14.0181 14.2010 14.2010 14.3545 14.3545 14.6737 14.6737 14.9094 14.9094 15.8936 15.8936 15.9482 15.9482 16.5508 16.5508 16.8724 16.8724 k = 0.5000-0.0555 0.5731 ( 4548 PWs) bands (ev): -41.5538 -41.5538 -18.2671 -18.2671 -17.6160 -17.6160 -17.6131 -17.6131 -6.2869 -6.2869 -6.2850 -6.2850 -5.2735 -5.2735 -5.2547 -5.2547 -5.2502 -5.2502 7.2150 7.2150 10.3172 10.3172 10.9328 10.9328 11.9886 11.9886 13.1043 13.1043 13.5513 13.5513 13.6007 13.6007 14.0235 14.0235 14.2154 14.2154 14.3445 14.3445 14.6733 14.6733 14.9005 14.9005 15.9013 15.9013 15.9467 15.9467 16.5863 16.5863 16.9057 16.9057 k = 0.5000-0.0444 0.5810 ( 4544 PWs) bands (ev): -41.5538 -41.5538 -18.2671 -18.2671 -17.6159 -17.6159 -17.6132 -17.6132 -6.2867 -6.2867 -6.2852 -6.2852 -5.2734 -5.2734 -5.2546 -5.2546 -5.2503 -5.2503 7.2192 7.2192 10.3678 10.3678 10.8663 10.8663 11.9681 11.9681 13.1055 13.1055 13.5577 13.5577 13.6011 13.6011 14.0281 14.0281 14.2286 14.2286 14.3355 14.3355 14.6730 14.6730 14.8931 14.8931 15.9082 15.9082 15.9450 15.9450 16.6224 16.6224 16.9130 16.9131 k = 0.5000-0.0333 0.5888 ( 4542 PWs) bands (ev): -41.5538 -41.5538 -18.2671 -18.2671 -17.6159 -17.6159 -17.6133 -17.6133 -6.2865 -6.2865 -6.2853 -6.2853 -5.2733 -5.2733 -5.2545 -5.2545 -5.2503 -5.2503 7.2226 7.2226 10.4194 10.4194 10.8023 10.8023 11.9520 11.9520 13.1064 13.1064 13.5644 13.5644 13.5993 13.5993 14.0317 14.0317 14.2402 14.2402 14.3276 14.3276 14.6728 14.6728 14.8871 14.8871 15.9141 15.9141 15.9430 15.9430 16.6589 16.6589 16.8786 16.8786 k = 0.5000-0.0222 0.5967 ( 4552 PWs) bands (ev): -41.5538 -41.5538 -18.2671 -18.2671 -17.6158 -17.6158 -17.6134 -17.6134 -6.2864 -6.2864 -6.2854 -6.2854 -5.2733 -5.2733 -5.2544 -5.2544 -5.2504 -5.2504 7.2250 7.2250 10.4709 10.4709 10.7418 10.7418 11.9404 11.9404 13.1070 13.1070 13.5713 13.5713 13.5957 13.5957 14.0344 14.0344 14.2497 14.2497 14.3208 14.3208 14.6727 14.6727 14.8827 14.8827 15.9189 15.9189 15.9409 15.9409 16.6953 16.6953 16.8436 16.8436 k = 0.5000-0.0111 0.6045 ( 4540 PWs) bands (ev): -41.5538 -41.5538 -18.2671 -18.2671 -17.6158 -17.6158 -17.6134 -17.6134 -6.2862 -6.2862 -6.2855 -6.2855 -5.2732 -5.2732 -5.2544 -5.2544 -5.2504 -5.2504 7.2265 7.2265 10.5181 10.5181 10.6893 10.6893 11.9333 11.9333 13.1074 13.1074 13.5781 13.5781 13.5908 13.5908 14.0360 14.0360 14.2564 14.2564 14.3159 14.3159 14.6726 14.6726 14.8801 14.8801 15.9225 15.9225 15.9391 15.9391 16.7310 16.7310 16.8087 16.8087 k = 0.5000-0.0000 0.6124 ( 4540 PWs) bands (ev): -41.5538 -41.5538 -18.2671 -18.2671 -17.6158 -17.6158 -17.6134 -17.6134 -6.2862 -6.2862 -6.2855 -6.2855 -5.2732 -5.2732 -5.2544 -5.2544 -5.2505 -5.2505 7.2270 7.2270 10.5424 10.5424 10.6633 10.6633 11.9310 11.9310 13.1075 13.1075 13.5836 13.5836 13.5860 13.5860 14.0366 14.0366 14.2588 14.2588 14.3141 14.3141 14.6725 14.6725 14.8792 14.8792 15.9238 15.9238 15.9382 15.9382 16.7568 16.7568 16.7832 16.7832 k = 0.5000-0.0000 0.6124 ( 4540 PWs) bands (ev): -41.5538 -41.5538 -18.2671 -18.2671 -17.6158 -17.6158 -17.6134 -17.6134 -6.2862 -6.2862 -6.2855 -6.2855 -5.2732 -5.2732 -5.2544 -5.2544 -5.2505 -5.2505 7.2270 7.2270 10.5424 10.5424 10.6633 10.6633 11.9310 11.9310 13.1075 13.1075 13.5836 13.5836 13.5860 13.5860 14.0366 14.0366 14.2588 14.2588 14.3141 14.3141 14.6725 14.6725 14.8792 14.8792 15.9238 15.9238 15.9382 15.9382 16.7568 16.7568 16.7832 16.7832 k = 0.4934 0.0114 0.6124 ( 4540 PWs) bands (ev): -41.5538 -41.5538 -18.2671 -18.2671 -17.6158 -17.6158 -17.6134 -17.6134 -6.2862 -6.2862 -6.2855 -6.2855 -5.2732 -5.2732 -5.2544 -5.2544 -5.2504 -5.2504 7.2263 7.2263 10.5300 10.5300 10.6754 10.6754 11.9335 11.9335 13.1067 13.1067 13.5800 13.5800 13.5900 13.5900 14.0365 14.0365 14.2579 14.2579 14.3152 14.3152 14.6719 14.6719 14.8791 14.8791 15.9236 15.9236 15.9389 15.9389 16.7415 16.7415 16.7989 16.7989 k = 0.4868 0.0228 0.6124 ( 4548 PWs) bands (ev): -41.5538 -41.5538 -18.2671 -18.2671 -17.6158 -17.6158 -17.6134 -17.6134 -6.2863 -6.2863 -6.2854 -6.2854 -5.2732 -5.2732 -5.2544 -5.2544 -5.2504 -5.2504 7.2244 7.2244 10.5033 10.5033 10.7010 10.7010 11.9412 11.9412 13.1042 13.1042 13.5750 13.5750 13.5964 13.5964 14.0364 14.0364 14.2553 14.2553 14.3185 14.3185 14.6700 14.6700 14.8787 14.8787 15.9233 15.9233 15.9405 15.9405 16.7173 16.7173 16.8240 16.8240 k = 0.4803 0.0342 0.6124 ( 4546 PWs) bands (ev): -41.5538 -41.5538 -18.2671 -18.2671 -17.6158 -17.6158 -17.6133 -17.6133 -6.2864 -6.2864 -6.2854 -6.2854 -5.2733 -5.2733 -5.2545 -5.2545 -5.2504 -5.2504 7.2214 7.2214 10.4725 10.4725 10.7293 10.7293 11.9544 11.9544 13.0998 13.0998 13.5695 13.5695 13.6044 13.6044 14.0366 14.0366 14.2514 14.2514 14.3235 14.3235 14.6670 14.6670 14.8779 14.8779 15.9235 15.9235 15.9424 15.9424 16.6915 16.6915 16.8512 16.8512 k = 0.4737 0.0456 0.6124 ( 4541 PWs) bands (ev): -41.5538 -41.5538 -18.2671 -18.2671 -17.6159 -17.6159 -17.6133 -17.6133 -6.2864 -6.2864 -6.2853 -6.2853 -5.2733 -5.2733 -5.2545 -5.2545 -5.2503 -5.2503 7.2177 7.2177 10.4413 10.4413 10.7561 10.7561 11.9731 11.9731 13.0932 13.0932 13.5636 13.5636 13.6140 13.6140 14.0371 14.0371 14.2466 14.2466 14.3296 14.3296 14.6627 14.6627 14.8766 14.8766 15.9245 15.9245 15.9445 15.9445 16.6650 16.6650 16.8795 16.8795 k = 0.4671 0.0570 0.6124 ( 4545 PWs) bands (ev): -41.5538 -41.5538 -18.2671 -18.2671 -17.6159 -17.6159 -17.6132 -17.6132 -6.2865 -6.2865 -6.2852 -6.2852 -5.2733 -5.2733 -5.2546 -5.2546 -5.2502 -5.2502 7.2133 7.2133 10.4110 10.4110 10.7801 10.7801 11.9971 11.9971 13.0844 13.0844 13.5574 13.5574 13.6249 13.6249 14.0380 14.0380 14.2413 14.2413 14.3365 14.3365 14.6572 14.6572 14.8749 14.8749 15.9261 15.9261 15.9467 15.9467 16.6379 16.6379 16.9085 16.9086 k = 0.4605 0.0684 0.6124 ( 4547 PWs) bands (ev): -41.5538 -41.5538 -18.2671 -18.2671 -17.6160 -17.6160 -17.6132 -17.6132 -6.2866 -6.2866 -6.2851 -6.2851 -5.2733 -5.2733 -5.2547 -5.2547 -5.2501 -5.2501 7.2085 7.2085 10.3823 10.3823 10.8005 10.8005 12.0262 12.0262 13.0734 13.0734 13.5510 13.5510 13.6369 13.6369 14.0396 14.0396 14.2357 14.2357 14.3439 14.3439 14.6508 14.6508 14.8727 14.8727 15.9284 15.9284 15.9490 15.9490 16.6106 16.6106 16.9379 16.9379 k = 0.4539 0.0798 0.6124 ( 4551 PWs) bands (ev): -41.5538 -41.5538 -18.2671 -18.2671 -17.6160 -17.6160 -17.6131 -17.6131 -6.2867 -6.2867 -6.2851 -6.2851 -5.2734 -5.2734 -5.2548 -5.2548 -5.2500 -5.2500 7.2035 7.2035 10.3554 10.3554 10.8174 10.8174 12.0598 12.0598 13.0601 13.0601 13.5445 13.5445 13.6499 13.6499 14.0417 14.0417 14.2298 14.2298 14.3517 14.3517 14.6434 14.6434 14.8701 14.8701 15.9311 15.9311 15.9516 15.9516 16.5833 16.5833 16.9668 16.9668 k = 0.4474 0.0912 0.6124 ( 4551 PWs) bands (ev): -41.5538 -41.5538 -18.2671 -18.2671 -17.6161 -17.6161 -17.6130 -17.6130 -6.2868 -6.2868 -6.2850 -6.2850 -5.2734 -5.2734 -5.2549 -5.2549 -5.2499 -5.2499 7.1983 7.1983 10.3304 10.3304 10.8309 10.8309 12.0973 12.0973 13.0446 13.0446 13.5380 13.5380 13.6635 13.6635 14.0444 14.0444 14.2239 14.2239 14.3597 14.3597 14.6353 14.6353 14.8672 14.8672 15.9340 15.9340 15.9545 15.9545 16.5564 16.5564 16.9934 16.9934 k = 0.4408 0.1026 0.6124 ( 4549 PWs) bands (ev): -41.5538 -41.5538 -18.2671 -18.2671 -17.6161 -17.6161 -17.6129 -17.6129 -6.2869 -6.2869 -6.2849 -6.2849 -5.2734 -5.2734 -5.2550 -5.2550 -5.2498 -5.2498 7.1932 7.1932 10.3074 10.3074 10.8414 10.8414 12.1378 12.1378 13.0270 13.0270 13.5316 13.5316 13.6775 13.6775 14.0476 14.0476 14.2179 14.2179 14.3678 14.3678 14.6265 14.6265 14.8641 14.8641 15.9370 15.9370 15.9578 15.9578 16.5302 16.5302 17.0140 17.0140 k = 0.4342 0.1140 0.6124 ( 4553 PWs) bands (ev): -41.5538 -41.5538 -18.2671 -18.2671 -17.6162 -17.6162 -17.6129 -17.6129 -6.2870 -6.2870 -6.2849 -6.2849 -5.2735 -5.2735 -5.2551 -5.2551 -5.2497 -5.2497 7.1882 7.1882 10.2866 10.2866 10.8493 10.8493 12.1805 12.1805 13.0075 13.0075 13.5254 13.5254 13.6913 13.6913 14.0513 14.0513 14.2119 14.2119 14.3759 14.3759 14.6174 14.6174 14.8608 14.8608 15.9396 15.9396 15.9616 15.9616 16.5050 16.5050 17.0303 17.0303 k = 0.4276 0.1253 0.6124 ( 4551 PWs) bands (ev): -41.5538 -41.5538 -18.2671 -18.2671 -17.6162 -17.6162 -17.6128 -17.6128 -6.2871 -6.2871 -6.2848 -6.2848 -5.2735 -5.2735 -5.2552 -5.2552 -5.2496 -5.2496 7.1834 7.1834 10.2678 10.2678 10.8550 10.8550 12.2246 12.2246 12.9862 12.9862 13.5196 13.5196 13.7049 13.7049 14.0553 14.0553 14.2060 14.2060 14.3839 14.3839 14.6080 14.6080 14.8574 14.8574 15.9419 15.9419 15.9659 15.9659 16.4812 16.4812 17.0460 17.0460 k = 0.4211 0.1367 0.6124 ( 4551 PWs) bands (ev): -41.5538 -41.5538 -18.2671 -18.2671 -17.6163 -17.6163 -17.6127 -17.6127 -6.2871 -6.2871 -6.2848 -6.2848 -5.2735 -5.2735 -5.2553 -5.2553 -5.2495 -5.2495 7.1790 7.1790 10.2512 10.2512 10.8590 10.8590 12.2690 12.2690 12.9635 12.9635 13.5141 13.5141 13.7177 13.7177 14.0597 14.0597 14.2003 14.2003 14.3917 14.3917 14.5987 14.5987 14.8542 14.8542 15.9438 15.9438 15.9706 15.9706 16.4590 16.4590 17.0622 17.0622 k = 0.4145 0.1481 0.6124 ( 4546 PWs) bands (ev): -41.5538 -41.5538 -18.2671 -18.2671 -17.6163 -17.6163 -17.6127 -17.6127 -6.2872 -6.2872 -6.2848 -6.2848 -5.2736 -5.2736 -5.2554 -5.2554 -5.2494 -5.2494 7.1750 7.1750 10.2368 10.2368 10.8616 10.8616 12.3128 12.3128 12.9398 12.9398 13.5093 13.5093 13.7295 13.7295 14.0641 14.0641 14.1948 14.1948 14.3992 14.3992 14.5896 14.5896 14.8511 14.8511 15.9454 15.9454 15.9753 15.9753 16.4390 16.4390 17.0784 17.0784 k = 0.4079 0.1595 0.6124 ( 4548 PWs) bands (ev): -41.5538 -41.5538 -18.2671 -18.2671 -17.6163 -17.6163 -17.6126 -17.6126 -6.2872 -6.2872 -6.2847 -6.2847 -5.2736 -5.2736 -5.2555 -5.2555 -5.2494 -5.2494 7.1715 7.1715 10.2245 10.2245 10.8632 10.8632 12.3550 12.3550 12.9156 12.9156 13.5050 13.5050 13.7400 13.7400 14.0684 14.0684 14.1897 14.1897 14.4061 14.4061 14.5810 14.5810 14.8483 14.8483 15.9466 15.9466 15.9799 15.9799 16.4212 16.4212 17.0940 17.0940 k = 0.4013 0.1709 0.6124 ( 4554 PWs) bands (ev): -41.5538 -41.5538 -18.2671 -18.2671 -17.6164 -17.6164 -17.6126 -17.6126 -6.2873 -6.2873 -6.2847 -6.2847 -5.2736 -5.2736 -5.2556 -5.2556 -5.2493 -5.2493 7.1686 7.1686 10.2145 10.2145 10.8642 10.8642 12.3940 12.3940 12.8917 12.8917 13.5014 13.5014 13.7490 13.7490 14.0725 14.0725 14.1851 14.1851 14.4124 14.4124 14.5732 14.5732 14.8459 14.8459 15.9475 15.9475 15.9841 15.9841 16.4062 16.4062 17.1083 17.1083 k = 0.3947 0.1823 0.6124 ( 4540 PWs) bands (ev): -41.5538 -41.5538 -18.2670 -18.2670 -17.6164 -17.6164 -17.6126 -17.6126 -6.2873 -6.2873 -6.2847 -6.2847 -5.2736 -5.2736 -5.2556 -5.2556 -5.2492 -5.2492 7.1663 7.1663 10.2067 10.2067 10.8646 10.8646 12.4284 12.4284 12.8696 12.8696 13.4985 13.4985 13.7562 13.7562 14.0761 14.0761 14.1812 14.1812 14.4178 14.4178 14.5666 14.5666 14.8439 14.8439 15.9482 15.9482 15.9876 15.9876 16.3941 16.3941 17.1205 17.1205 k = 0.3882 0.1937 0.6124 ( 4538 PWs) bands (ev): -41.5538 -41.5538 -18.2670 -18.2670 -17.6164 -17.6164 -17.6125 -17.6125 -6.2873 -6.2873 -6.2847 -6.2847 -5.2737 -5.2737 -5.2556 -5.2556 -5.2492 -5.2492 7.1646 7.1646 10.2012 10.2012 10.8649 10.8649 12.4559 12.4559 12.8511 12.8511 13.4964 13.4964 13.7615 13.7615 14.0789 14.0789 14.1782 14.1782 14.4219 14.4219 14.5616 14.5616 14.8424 14.8424 15.9486 15.9486 15.9904 15.9904 16.3853 16.3853 17.1299 17.1299 k = 0.3816 0.2051 0.6124 ( 4534 PWs) bands (ev): -41.5538 -41.5538 -18.2670 -18.2670 -17.6164 -17.6164 -17.6125 -17.6125 -6.2873 -6.2873 -6.2847 -6.2847 -5.2737 -5.2737 -5.2557 -5.2557 -5.2492 -5.2492 7.1635 7.1635 10.1978 10.1978 10.8649 10.8649 12.4740 12.4740 12.8384 12.8384 13.4952 13.4952 13.7647 13.7647 14.0807 14.0807 14.1763 14.1763 14.4245 14.4245 14.5583 14.5583 14.8415 14.8415 15.9489 15.9489 15.9921 15.9921 16.3799 16.3799 17.1357 17.1357 k = 0.3750 0.2165 0.6124 ( 4538 PWs) bands (ev): -41.5538 -41.5538 -18.2670 -18.2670 -17.6164 -17.6164 -17.6125 -17.6125 -6.2874 -6.2874 -6.2847 -6.2847 -5.2737 -5.2737 -5.2557 -5.2557 -5.2492 -5.2492 7.1632 7.1632 10.1967 10.1967 10.8649 10.8649 12.4804 12.4804 12.8338 12.8338 13.4948 13.4948 13.7657 13.7657 14.0813 14.0813 14.1756 14.1756 14.4254 14.4254 14.5572 14.5572 14.8412 14.8412 15.9490 15.9490 15.9927 15.9927 16.3780 16.3780 17.1377 17.1377 k = 0.3750 0.2165 0.6124 ( 4538 PWs) bands (ev): -41.5538 -41.5538 -18.2670 -18.2670 -17.6164 -17.6164 -17.6125 -17.6125 -6.2874 -6.2874 -6.2847 -6.2847 -5.2737 -5.2737 -5.2557 -5.2557 -5.2492 -5.2492 7.1632 7.1632 10.1967 10.1967 10.8649 10.8649 12.4804 12.4804 12.8338 12.8338 13.4948 13.4948 13.7657 13.7657 14.0813 14.0813 14.1756 14.1756 14.4254 14.4254 14.5572 14.5572 14.8412 14.8412 15.9490 15.9490 15.9927 15.9927 16.3780 16.3780 17.1377 17.1377 k = 0.3682 0.2126 0.6012 ( 4538 PWs) bands (ev): -41.5538 -41.5538 -18.2670 -18.2670 -17.6164 -17.6164 -17.6126 -17.6126 -6.2871 -6.2871 -6.2847 -6.2847 -5.2735 -5.2735 -5.2556 -5.2556 -5.2492 -5.2492 7.1590 7.1590 10.2430 10.2430 10.7846 10.7846 12.4420 12.4420 12.8511 12.8511 13.4941 13.4941 13.7942 13.7942 14.0935 14.0935 14.1976 14.1976 14.4021 14.4021 14.5574 14.5574 14.8155 14.8155 15.9492 15.9492 16.0178 16.0178 16.4007 16.4007 17.2235 17.2235 k = 0.3614 0.2086 0.5901 ( 4544 PWs) bands (ev): -41.5538 -41.5538 -18.2670 -18.2670 -17.6163 -17.6163 -17.6126 -17.6126 -6.2869 -6.2869 -6.2848 -6.2848 -5.2733 -5.2733 -5.2556 -5.2556 -5.2492 -5.2492 7.1521 7.1521 10.2908 10.2908 10.7096 10.7096 12.4040 12.4040 12.8687 12.8687 13.4943 13.4943 13.8207 13.8207 14.1045 14.1045 14.2196 14.2196 14.3782 14.3782 14.5585 14.5585 14.7899 14.7899 15.9481 15.9481 16.0438 16.0438 16.4255 16.4255 17.2537 17.2537 k = 0.3545 0.2047 0.5790 ( 4540 PWs) bands (ev): -41.5538 -41.5538 -18.2670 -18.2670 -17.6163 -17.6163 -17.6126 -17.6126 -6.2867 -6.2867 -6.2848 -6.2848 -5.2731 -5.2731 -5.2556 -5.2556 -5.2491 -5.2491 7.1420 7.1420 10.3392 10.3392 10.6416 10.6416 12.3667 12.3667 12.8865 12.8865 13.4952 13.4952 13.8455 13.8455 14.1137 14.1137 14.2415 14.2415 14.3543 14.3543 14.5600 14.5600 14.7650 14.7650 15.9464 15.9464 16.0702 16.0702 16.4526 16.4526 17.2462 17.2462 k = 0.3477 0.2008 0.5678 ( 4536 PWs) bands (ev): -41.5538 -41.5538 -18.2670 -18.2670 -17.6162 -17.6162 -17.6127 -17.6127 -6.2866 -6.2866 -6.2849 -6.2849 -5.2730 -5.2730 -5.2556 -5.2556 -5.2491 -5.2491 7.1283 7.1283 10.3855 10.3855 10.5838 10.5838 12.3302 12.3302 12.9045 12.9045 13.4969 13.4969 13.8687 13.8687 14.1205 14.1205 14.2622 14.2622 14.3312 14.3312 14.5617 14.5617 14.7414 14.7414 15.9440 15.9440 16.0968 16.0968 16.4819 16.4819 17.2369 17.2370 k = 0.3409 0.1968 0.5567 ( 4528 PWs) bands (ev): -41.5538 -41.5538 -18.2670 -18.2670 -17.6162 -17.6162 -17.6126 -17.6126 -6.2864 -6.2864 -6.2849 -6.2849 -5.2729 -5.2729 -5.2556 -5.2556 -5.2491 -5.2491 7.1109 7.1109 10.4189 10.4189 10.5475 10.5475 12.2946 12.2946 12.9225 12.9225 13.4995 13.4995 13.8906 13.8906 14.1246 14.1246 14.2758 14.2758 14.3149 14.3149 14.5632 14.5632 14.7196 14.7196 15.9410 15.9410 16.1236 16.1236 16.5136 16.5136 17.2268 17.2268 k = 0.3341 0.1929 0.5456 ( 4528 PWs) bands (ev): -41.5538 -41.5538 -18.2670 -18.2670 -17.6162 -17.6162 -17.6126 -17.6126 -6.2864 -6.2864 -6.2849 -6.2849 -5.2728 -5.2728 -5.2556 -5.2556 -5.2490 -5.2490 7.0893 7.0893 10.4154 10.4154 10.5569 10.5569 12.2601 12.2601 12.9404 12.9404 13.5028 13.5028 13.9115 13.9115 14.1252 14.1252 14.2655 14.2655 14.3221 14.3221 14.5642 14.5642 14.7004 14.7004 15.9374 15.9374 16.1506 16.1506 16.5475 16.5475 17.2158 17.2158 k = 0.3273 0.1890 0.5344 ( 4528 PWs) bands (ev): -41.5539 -41.5539 -18.2670 -18.2670 -17.6161 -17.6161 -17.6126 -17.6126 -6.2863 -6.2863 -6.2849 -6.2849 -5.2727 -5.2727 -5.2557 -5.2557 -5.2489 -5.2489 7.0633 7.0633 10.3858 10.3858 10.6017 10.6017 12.2267 12.2267 12.9581 12.9581 13.5071 13.5071 13.9317 13.9317 14.1219 14.1219 14.2421 14.2421 14.3420 14.3420 14.5645 14.5645 14.6843 14.6843 15.9331 15.9331 16.1776 16.1776 16.5833 16.5833 17.2039 17.2039 k = 0.3205 0.1850 0.5233 ( 4528 PWs) bands (ev): -41.5539 -41.5539 -18.2669 -18.2669 -17.6161 -17.6161 -17.6125 -17.6125 -6.2863 -6.2863 -6.2849 -6.2849 -5.2727 -5.2727 -5.2557 -5.2557 -5.2489 -5.2489 7.0329 7.0329 10.3538 10.3538 10.6584 10.6584 12.1945 12.1945 12.9755 12.9755 13.5122 13.5122 13.9513 13.9513 14.1143 14.1143 14.2161 14.2161 14.3642 14.3642 14.5641 14.5641 14.6716 14.6716 15.9283 15.9283 16.2048 16.2048 16.6208 16.6208 17.1912 17.1912 k = 0.3136 0.1811 0.5122 ( 4540 PWs) bands (ev): -41.5539 -41.5539 -18.2669 -18.2669 -17.6161 -17.6161 -17.6125 -17.6125 -6.2863 -6.2863 -6.2848 -6.2848 -5.2727 -5.2727 -5.2558 -5.2558 -5.2488 -5.2488 6.9978 6.9978 10.3263 10.3263 10.7200 10.7200 12.1637 12.1637 12.9924 12.9924 13.5181 13.5181 13.9705 13.9705 14.1022 14.1022 14.1889 14.1889 14.3870 14.3870 14.5630 14.5630 14.6626 14.6626 15.9229 15.9229 16.2321 16.2321 16.6594 16.6594 17.1776 17.1776 k = 0.3068 0.1771 0.5010 ( 4540 PWs) bands (ev): -41.5539 -41.5539 -18.2668 -18.2668 -17.6161 -17.6161 -17.6124 -17.6124 -6.2864 -6.2864 -6.2848 -6.2848 -5.2727 -5.2727 -5.2559 -5.2559 -5.2488 -5.2488 6.9582 6.9582 10.3053 10.3053 10.7848 10.7848 12.1343 12.1343 13.0087 13.0087 13.5250 13.5250 13.9893 13.9893 14.0860 14.0860 14.1613 14.1613 14.4098 14.4098 14.5613 14.5613 14.6571 14.6571 15.9170 15.9170 16.2595 16.2595 16.6985 16.6985 17.1632 17.1632 k = 0.3000 0.1732 0.4899 ( 4548 PWs) bands (ev): -41.5539 -41.5539 -18.2668 -18.2668 -17.6160 -17.6160 -17.6123 -17.6123 -6.2865 -6.2865 -6.2847 -6.2847 -5.2727 -5.2727 -5.2559 -5.2559 -5.2488 -5.2488 6.9141 6.9141 10.2914 10.2914 10.8519 10.8519 12.1064 12.1064 13.0243 13.0243 13.5327 13.5327 14.0073 14.0073 14.0660 14.0660 14.1335 14.1335 14.4323 14.4323 14.5591 14.5591 14.6550 14.6550 15.9106 15.9106 16.2870 16.2870 16.7372 16.7372 17.1478 17.1478 k = 0.2932 0.1693 0.4788 ( 4546 PWs) bands (ev): -41.5539 -41.5539 -18.2667 -18.2667 -17.6160 -17.6160 -17.6122 -17.6122 -6.2866 -6.2866 -6.2847 -6.2847 -5.2728 -5.2728 -5.2560 -5.2560 -5.2488 -5.2488 6.8657 6.8657 10.2847 10.2847 10.9209 10.9209 12.0801 12.0801 13.0391 13.0391 13.5412 13.5412 14.0215 14.0215 14.0448 14.0448 14.1072 14.1072 14.4538 14.4538 14.5569 14.5569 14.6561 14.6561 15.9037 15.9037 16.3146 16.3146 16.7746 16.7746 17.1314 17.1314 k = 0.2864 0.1653 0.4676 ( 4532 PWs) bands (ev): -41.5539 -41.5539 -18.2667 -18.2667 -17.6160 -17.6160 -17.6121 -17.6121 -6.2867 -6.2867 -6.2846 -6.2846 -5.2729 -5.2729 -5.2561 -5.2561 -5.2488 -5.2488 6.8133 6.8133 10.2854 10.2854 10.9916 10.9916 12.0553 12.0553 13.0529 13.0529 13.5507 13.5507 14.0106 14.0106 14.0382 14.0382 14.0884 14.0884 14.4733 14.4733 14.5556 14.5556 14.6599 14.6599 15.8964 15.8964 16.3423 16.3423 16.8099 16.8099 17.1140 17.1140 k = 0.2795 0.1614 0.4565 ( 4540 PWs) bands (ev): -41.5539 -41.5539 -18.2666 -18.2666 -17.6159 -17.6159 -17.6119 -17.6119 -6.2869 -6.2869 -6.2846 -6.2846 -5.2730 -5.2730 -5.2562 -5.2562 -5.2488 -5.2488 6.7571 6.7571 10.2930 10.2930 11.0638 11.0638 12.0322 12.0322 13.0657 13.0657 13.5610 13.5610 13.9829 13.9829 14.0249 14.0249 14.0910 14.0910 14.4884 14.4884 14.5574 14.5574 14.6662 14.6662 15.8888 15.8888 16.3700 16.3700 16.8422 16.8422 17.0957 17.0957 k = 0.2727 0.1575 0.4454 ( 4540 PWs) bands (ev): -41.5540 -41.5540 -18.2665 -18.2665 -17.6158 -17.6158 -17.6118 -17.6118 -6.2870 -6.2870 -6.2846 -6.2846 -5.2731 -5.2731 -5.2564 -5.2564 -5.2488 -5.2488 6.6974 6.6974 10.3074 10.3074 11.1372 11.1372 12.0108 12.0108 13.0773 13.0773 13.5721 13.5721 13.9522 13.9522 13.9989 13.9989 14.1081 14.1081 14.4961 14.4961 14.5656 14.5656 14.6744 14.6744 15.8808 15.8808 16.3978 16.3978 16.8710 16.8710 17.0763 17.0763 k = 0.2659 0.1535 0.4342 ( 4538 PWs) bands (ev): -41.5540 -41.5540 -18.2664 -18.2664 -17.6157 -17.6157 -17.6117 -17.6117 -6.2872 -6.2872 -6.2846 -6.2846 -5.2733 -5.2733 -5.2565 -5.2565 -5.2489 -5.2489 6.6348 6.6348 10.3282 10.3282 11.2115 11.2115 11.9913 11.9913 13.0877 13.0877 13.5840 13.5840 13.9201 13.9201 13.9693 13.9693 14.1295 14.1295 14.4960 14.4960 14.5806 14.5806 14.6841 14.6841 15.8727 15.8727 16.4257 16.4257 16.8962 16.8962 17.0559 17.0559 k = 0.2591 0.1496 0.4231 ( 4548 PWs) bands (ev): -41.5540 -41.5540 -18.2663 -18.2663 -17.6157 -17.6157 -17.6115 -17.6115 -6.2874 -6.2874 -6.2847 -6.2847 -5.2734 -5.2734 -5.2566 -5.2566 -5.2490 -5.2490 6.5696 6.5696 10.3550 10.3550 11.2866 11.2866 11.9735 11.9735 13.0967 13.0967 13.5967 13.5967 13.8874 13.8874 13.9385 13.9385 14.1530 14.1530 14.4908 14.4908 14.5999 14.5999 14.6950 14.6950 15.8645 15.8645 16.4536 16.4536 16.9178 16.9178 17.0344 17.0344 k = 0.2523 0.1456 0.4120 ( 4548 PWs) bands (ev): -41.5540 -41.5540 -18.2662 -18.2662 -17.6155 -17.6155 -17.6114 -17.6114 -6.2875 -6.2875 -6.2847 -6.2847 -5.2736 -5.2736 -5.2568 -5.2568 -5.2491 -5.2491 6.5022 6.5022 10.3874 10.3874 11.3621 11.3621 11.9577 11.9577 13.1043 13.1043 13.6102 13.6102 13.8546 13.8546 13.9069 13.9069 14.1778 14.1778 14.4832 14.4832 14.6213 14.6213 14.7067 14.7067 15.8562 15.8562 16.4816 16.4816 16.9363 16.9363 17.0118 17.0118 k = 0.2455 0.1417 0.4008 ( 4560 PWs) bands (ev): -41.5540 -41.5540 -18.2661 -18.2661 -17.6154 -17.6154 -17.6113 -17.6113 -6.2877 -6.2877 -6.2848 -6.2848 -5.2738 -5.2738 -5.2569 -5.2569 -5.2493 -5.2493 6.4329 6.4329 10.4251 10.4251 11.4376 11.4376 11.9440 11.9440 13.1104 13.1104 13.6243 13.6243 13.8225 13.8225 13.8749 13.8749 14.2036 14.2036 14.4745 14.4745 14.6436 14.6436 14.7190 14.7190 15.8479 15.8479 16.5096 16.5096 16.9521 16.9521 16.9882 16.9882 k = 0.2386 0.1378 0.3897 ( 4560 PWs) bands (ev): -41.5541 -41.5541 -18.2660 -18.2660 -17.6153 -17.6153 -17.6111 -17.6111 -6.2879 -6.2879 -6.2849 -6.2849 -5.2740 -5.2740 -5.2571 -5.2571 -5.2495 -5.2495 6.3623 6.3623 10.4675 10.4675 11.5126 11.5126 11.9324 11.9324 13.1149 13.1149 13.6388 13.6388 13.7917 13.7917 13.8425 13.8425 14.2299 14.2299 14.4659 14.4659 14.6663 14.6663 14.7316 14.7316 15.8398 15.8398 16.5376 16.5376 16.9629 16.9629 16.9662 16.9662 k = 0.2318 0.1338 0.3786 ( 4562 PWs) bands (ev): -41.5541 -41.5541 -18.2658 -18.2658 -17.6151 -17.6151 -17.6110 -17.6110 -6.2881 -6.2881 -6.2851 -6.2851 -5.2743 -5.2743 -5.2572 -5.2572 -5.2497 -5.2497 6.2907 6.2907 10.5142 10.5142 11.5865 11.5865 11.9235 11.9235 13.1178 13.1178 13.6534 13.6534 13.7631 13.7631 13.8096 13.8096 14.2561 14.2561 14.4584 14.4584 14.6890 14.6890 14.7446 14.7446 15.8318 15.8318 16.5656 16.5656 16.9374 16.9374 16.9777 16.9777 k = 0.2250 0.1299 0.3674 ( 4565 PWs) bands (ev): -41.5541 -41.5541 -18.2657 -18.2657 -17.6150 -17.6150 -17.6108 -17.6108 -6.2883 -6.2883 -6.2852 -6.2852 -5.2745 -5.2745 -5.2574 -5.2574 -5.2500 -5.2500 6.2185 6.2185 10.5649 10.5649 11.6581 11.6581 11.9177 11.9177 13.1191 13.1191 13.6668 13.6668 13.7385 13.7385 13.7765 13.7765 14.2811 14.2811 14.4534 14.4534 14.7114 14.7114 14.7580 14.7580 15.8240 15.8240 16.5935 16.5935 16.9104 16.9104 16.9883 16.9883 k = 0.2182 0.1260 0.3563 ( 4563 PWs) bands (ev): -41.5541 -41.5541 -18.2656 -18.2656 -17.6148 -17.6148 -17.6107 -17.6107 -6.2885 -6.2885 -6.2854 -6.2854 -5.2748 -5.2748 -5.2576 -5.2576 -5.2503 -5.2503 6.1459 6.1459 10.6190 10.6190 11.7254 11.7254 11.9168 11.9168 13.1188 13.1188 13.6746 13.6746 13.7227 13.7227 13.7430 13.7430 14.3031 14.3031 14.4531 14.4531 14.7332 14.7332 14.7720 14.7720 15.8166 15.8166 16.6214 16.6214 16.8824 16.8824 16.9979 16.9979 k = 0.2114 0.1220 0.3452 ( 4559 PWs) bands (ev): -41.5542 -41.5542 -18.2654 -18.2654 -17.6146 -17.6146 -17.6105 -17.6105 -6.2887 -6.2887 -6.2856 -6.2856 -5.2750 -5.2750 -5.2578 -5.2578 -5.2506 -5.2506 6.0734 6.0734 10.6763 10.6763 11.7840 11.7840 11.9246 11.9246 13.1168 13.1168 13.6690 13.6690 13.7088 13.7088 13.7246 13.7246 14.3193 14.3193 14.4603 14.4603 14.7535 14.7535 14.7872 14.7872 15.8095 15.8095 16.6492 16.6492 16.8533 16.8533 17.0069 17.0069 k = 0.2045 0.1181 0.3340 ( 4555 PWs) bands (ev): -41.5542 -41.5542 -18.2653 -18.2653 -17.6144 -17.6144 -17.6104 -17.6104 -6.2890 -6.2890 -6.2858 -6.2858 -5.2753 -5.2753 -5.2579 -5.2579 -5.2509 -5.2509 6.0011 6.0011 10.7363 10.7363 11.8257 11.8257 11.9486 11.9486 13.1132 13.1132 13.6560 13.6560 13.6748 13.6748 13.7379 13.7379 14.3280 14.3280 14.4769 14.4769 14.7717 14.7717 14.8043 14.8043 15.8028 15.8028 16.6769 16.6769 16.8232 16.8232 17.0154 17.0154 k = 0.1977 0.1142 0.3229 ( 4555 PWs) bands (ev): -41.5542 -41.5542 -18.2651 -18.2651 -17.6142 -17.6142 -17.6103 -17.6103 -6.2892 -6.2892 -6.2861 -6.2861 -5.2755 -5.2755 -5.2581 -5.2581 -5.2513 -5.2513 5.9295 5.9295 10.7987 10.7987 11.8474 11.8474 11.9913 11.9913 13.1079 13.1079 13.6401 13.6401 13.6441 13.6441 13.7552 13.7552 14.3299 14.3299 14.5022 14.5022 14.7875 14.7875 14.8237 14.8237 15.7966 15.7966 16.7040 16.7040 16.7924 16.7924 17.0236 17.0236 k = 0.1909 0.1102 0.3118 ( 4555 PWs) bands (ev): -41.5542 -41.5542 -18.2650 -18.2650 -17.6139 -17.6139 -17.6101 -17.6101 -6.2894 -6.2894 -6.2863 -6.2863 -5.2758 -5.2758 -5.2583 -5.2583 -5.2517 -5.2517 5.8586 5.8586 10.8630 10.8630 11.8579 11.8579 12.0432 12.0432 13.1012 13.1012 13.6054 13.6054 13.6358 13.6358 13.7742 13.7742 14.3274 14.3274 14.5340 14.5340 14.8015 14.8015 14.8449 14.8449 15.7909 15.7909 16.7286 16.7286 16.7631 16.7631 17.0316 17.0316 k = 0.1841 0.1063 0.3006 ( 4563 PWs) bands (ev): -41.5543 -41.5543 -18.2648 -18.2648 -17.6137 -17.6137 -17.6100 -17.6100 -6.2896 -6.2896 -6.2866 -6.2866 -5.2761 -5.2761 -5.2585 -5.2585 -5.2521 -5.2521 5.7888 5.7888 10.9289 10.9289 11.8646 11.8646 12.0962 12.0962 13.0930 13.0930 13.5702 13.5702 13.6326 13.6326 13.7942 13.7942 14.3224 14.3224 14.5702 14.5702 14.8144 14.8144 14.8671 14.8671 15.7856 15.7856 16.7211 16.7211 16.7647 16.7647 17.0396 17.0396 k = 0.1773 0.1023 0.2895 ( 4571 PWs) bands (ev): -41.5543 -41.5543 -18.2646 -18.2646 -17.6134 -17.6134 -17.6099 -17.6099 -6.2898 -6.2898 -6.2869 -6.2869 -5.2764 -5.2764 -5.2587 -5.2587 -5.2526 -5.2526 5.7202 5.7202 10.9961 10.9961 11.8706 11.8706 12.1464 12.1464 13.0835 13.0835 13.5348 13.5348 13.6352 13.6352 13.8149 13.8149 14.3163 14.3163 14.6096 14.6096 14.8270 14.8270 14.8900 14.8900 15.7809 15.7809 16.6888 16.6888 16.7900 16.7900 17.0475 17.0475 k = 0.1705 0.0984 0.2784 ( 4573 PWs) bands (ev): -41.5543 -41.5543 -18.2645 -18.2645 -17.6132 -17.6132 -17.6097 -17.6097 -6.2900 -6.2900 -6.2872 -6.2872 -5.2766 -5.2766 -5.2589 -5.2589 -5.2530 -5.2530 5.6530 5.6530 11.0642 11.0642 11.8771 11.8771 12.1922 12.1922 13.0726 13.0726 13.4991 13.4991 13.6439 13.6439 13.8361 13.8361 14.3097 14.3097 14.6513 14.6513 14.8397 14.8397 14.9132 14.9132 15.7767 15.7767 16.6538 16.6538 16.8167 16.8167 17.0555 17.0555 k = 0.1636 0.0945 0.2672 ( 4573 PWs) bands (ev): -41.5543 -41.5543 -18.2643 -18.2643 -17.6129 -17.6129 -17.6096 -17.6096 -6.2902 -6.2902 -6.2875 -6.2875 -5.2769 -5.2769 -5.2591 -5.2591 -5.2535 -5.2535 5.5875 5.5875 11.1329 11.1329 11.8847 11.8847 12.2326 12.2326 13.0606 13.0606 13.4631 13.4631 13.6590 13.6590 13.8577 13.8577 14.3032 14.3032 14.6946 14.6946 14.8531 14.8531 14.9367 14.9367 15.7730 15.7730 16.6177 16.6177 16.8435 16.8435 17.0637 17.0637 k = 0.1568 0.0905 0.2561 ( 4575 PWs) bands (ev): -41.5544 -41.5544 -18.2641 -18.2641 -17.6126 -17.6126 -17.6095 -17.6095 -6.2904 -6.2904 -6.2878 -6.2878 -5.2772 -5.2772 -5.2593 -5.2593 -5.2540 -5.2540 5.5237 5.5237 11.2018 11.2018 11.8934 11.8934 12.2671 12.2671 13.0475 13.0475 13.4269 13.4269 13.6803 13.6803 13.8796 13.8796 14.2968 14.2968 14.7389 14.7389 14.8678 14.8678 14.9604 14.9604 15.7698 15.7698 16.5806 16.5806 16.8702 16.8702 17.0719 17.0719 k = 0.1500 0.0866 0.2449 ( 4571 PWs) bands (ev): -41.5544 -41.5544 -18.2640 -18.2640 -17.6123 -17.6123 -17.6094 -17.6094 -6.2906 -6.2906 -6.2882 -6.2882 -5.2775 -5.2775 -5.2595 -5.2595 -5.2545 -5.2545 5.4618 5.4618 11.2707 11.2707 11.9035 11.9035 12.2955 12.2955 13.0335 13.0335 13.3905 13.3905 13.7076 13.7076 13.9017 13.9017 14.2907 14.2907 14.7833 14.7833 14.8848 14.8848 14.9843 14.9843 15.7671 15.7671 16.5426 16.5426 16.8967 16.8967 17.0804 17.0804 k = 0.1432 0.0827 0.2338 ( 4571 PWs) bands (ev): -41.5544 -41.5544 -18.2638 -18.2638 -17.6120 -17.6120 -17.6093 -17.6093 -6.2909 -6.2909 -6.2885 -6.2885 -5.2777 -5.2777 -5.2597 -5.2597 -5.2550 -5.2550 5.4020 5.4020 11.3392 11.3392 11.9150 11.9150 12.3181 12.3181 13.0187 13.0187 13.3539 13.3539 13.7401 13.7401 13.9240 13.9240 14.2850 14.2850 14.8263 14.8263 14.9058 14.9058 15.0084 15.0084 15.7647 15.7647 16.5037 16.5037 16.9228 16.9228 17.0890 17.0890 k = 0.1364 0.0787 0.2227 ( 4573 PWs) bands (ev): -41.5544 -41.5544 -18.2636 -18.2636 -17.6118 -17.6118 -17.6092 -17.6092 -6.2910 -6.2910 -6.2888 -6.2888 -5.2780 -5.2780 -5.2599 -5.2599 -5.2556 -5.2556 5.3443 5.3443 11.4069 11.4069 11.9279 11.9279 12.3351 12.3351 13.0032 13.0032 13.3172 13.3172 13.7769 13.7769 13.9463 13.9463 14.2798 14.2798 14.8654 14.8654 14.9335 14.9335 15.0328 15.0328 15.7627 15.7627 16.4642 16.4642 16.9486 16.9486 17.0978 17.0978 k = 0.1295 0.0748 0.2115 ( 4561 PWs) bands (ev): -41.5545 -41.5545 -18.2635 -18.2635 -17.6115 -17.6115 -17.6091 -17.6091 -6.2912 -6.2912 -6.2892 -6.2892 -5.2783 -5.2783 -5.2601 -5.2601 -5.2561 -5.2561 5.2888 5.2888 11.4736 11.4736 11.9423 11.9423 12.3473 12.3473 12.9872 12.9872 13.2804 13.2804 13.8169 13.8169 13.9685 13.9685 14.2749 14.2749 14.8986 14.8986 14.9698 14.9698 15.0574 15.0574 15.7610 15.7610 16.4240 16.4240 16.9740 16.9740 17.1069 17.1069 k = 0.1227 0.0709 0.2004 ( 4561 PWs) bands (ev): -41.5545 -41.5545 -18.2633 -18.2633 -17.6112 -17.6112 -17.6090 -17.6090 -6.2914 -6.2914 -6.2895 -6.2895 -5.2785 -5.2785 -5.2603 -5.2603 -5.2566 -5.2566 5.2357 5.2357 11.5390 11.5390 11.9581 11.9581 12.3551 12.3551 12.9707 12.9707 13.2435 13.2435 13.8589 13.8589 13.9906 13.9906 14.2704 14.2704 14.9280 14.9280 15.0131 15.0131 15.0824 15.0824 15.7596 15.7596 16.3832 16.3832 16.9989 16.9989 17.1162 17.1162 k = 0.1159 0.0669 0.1893 ( 4551 PWs) bands (ev): -41.5545 -41.5545 -18.2631 -18.2631 -17.6109 -17.6109 -17.6089 -17.6089 -6.2916 -6.2916 -6.2899 -6.2899 -5.2787 -5.2787 -5.2605 -5.2605 -5.2571 -5.2571 5.1850 5.1850 11.6027 11.6027 11.9753 11.9753 12.3594 12.3594 12.9538 12.9538 13.2066 13.2066 13.9016 13.9016 14.0123 14.0123 14.2663 14.2663 14.9567 14.9567 15.0600 15.0600 15.1079 15.1079 15.7583 15.7583 16.3419 16.3419 17.0232 17.0232 17.1257 17.1257 k = 0.1091 0.0630 0.1781 ( 4561 PWs) bands (ev): -41.5546 -41.5546 -18.2630 -18.2630 -17.6106 -17.6106 -17.6088 -17.6088 -6.2918 -6.2918 -6.2902 -6.2902 -5.2790 -5.2790 -5.2607 -5.2607 -5.2576 -5.2576 5.1369 5.1369 11.6645 11.6645 11.9939 11.9939 12.3607 12.3607 12.9367 12.9367 13.1698 13.1698 13.9438 13.9438 14.0337 14.0337 14.2625 14.2625 14.9871 14.9871 15.1079 15.1079 15.1344 15.1344 15.7571 15.7571 16.3002 16.3002 17.0469 17.0469 17.1356 17.1356 k = 0.1023 0.0590 0.1670 ( 4561 PWs) bands (ev): -41.5546 -41.5546 -18.2628 -18.2628 -17.6104 -17.6104 -17.6087 -17.6087 -6.2920 -6.2920 -6.2905 -6.2905 -5.2792 -5.2792 -5.2608 -5.2608 -5.2581 -5.2581 5.0913 5.0913 11.7239 11.7239 12.0139 12.0139 12.3598 12.3598 12.9195 12.9195 13.1330 13.1330 13.9845 13.9845 14.0546 14.0546 14.2591 14.2591 15.0201 15.0201 15.1518 15.1518 15.1657 15.1657 15.7559 15.7559 16.2581 16.2581 17.0699 17.0699 17.1457 17.1457 k = 0.0955 0.0551 0.1559 ( 4569 PWs) bands (ev): -41.5546 -41.5546 -18.2627 -18.2627 -17.6101 -17.6101 -17.6086 -17.6086 -6.2921 -6.2921 -6.2908 -6.2908 -5.2794 -5.2794 -5.2610 -5.2610 -5.2586 -5.2586 5.0484 5.0484 11.7806 11.7806 12.0353 12.0353 12.3572 12.3572 12.9023 12.9023 13.0965 13.0965 14.0228 14.0228 14.0749 14.0749 14.2559 14.2559 15.0563 15.0563 15.1830 15.1830 15.2098 15.2098 15.7546 15.7546 16.2157 16.2157 17.0921 17.0921 17.1560 17.1560 k = 0.0886 0.0512 0.1447 ( 4575 PWs) bands (ev): -41.5546 -41.5546 -18.2625 -18.2625 -17.6098 -17.6098 -17.6085 -17.6085 -6.2923 -6.2923 -6.2911 -6.2911 -5.2796 -5.2796 -5.2612 -5.2612 -5.2591 -5.2591 5.0083 5.0083 11.8344 11.8344 12.0581 12.0581 12.3535 12.3535 12.8851 12.8851 13.0603 13.0603 14.0579 14.0579 14.0944 14.0944 14.2529 14.2529 15.0956 15.0956 15.2108 15.2108 15.2569 15.2569 15.7531 15.7531 16.1731 16.1731 17.1134 17.1134 17.1665 17.1665 k = 0.0818 0.0472 0.1336 ( 4573 PWs) bands (ev): -41.5546 -41.5546 -18.2624 -18.2624 -17.6096 -17.6096 -17.6085 -17.6085 -6.2924 -6.2924 -6.2914 -6.2914 -5.2798 -5.2798 -5.2613 -5.2613 -5.2595 -5.2595 4.9709 4.9709 11.8847 11.8847 12.0823 12.0823 12.3490 12.3490 12.8681 12.8681 13.0244 13.0244 14.0895 14.0895 14.1131 14.1131 14.2502 14.2502 15.1379 15.1379 15.2388 15.2388 15.3031 15.3031 15.7513 15.7513 16.1303 16.1303 17.1338 17.1338 17.1772 17.1772 k = 0.0750 0.0433 0.1225 ( 4573 PWs) bands (ev): -41.5547 -41.5547 -18.2623 -18.2623 -17.6094 -17.6094 -17.6084 -17.6084 -6.2925 -6.2925 -6.2917 -6.2917 -5.2800 -5.2800 -5.2615 -5.2615 -5.2599 -5.2599 4.9363 4.9363 11.9312 11.9312 12.1078 12.1078 12.3443 12.3443 12.8514 12.8514 12.9892 12.9892 14.1174 14.1174 14.1308 14.1308 14.2478 14.2478 15.1826 15.1826 15.2673 15.2673 15.3475 15.3475 15.7492 15.7492 16.0876 16.0876 17.1530 17.1530 17.1879 17.1879 k = 0.0682 0.0394 0.1113 ( 4573 PWs) bands (ev): -41.5547 -41.5547 -18.2622 -18.2622 -17.6092 -17.6092 -17.6084 -17.6084 -6.2927 -6.2927 -6.2920 -6.2920 -5.2802 -5.2802 -5.2616 -5.2616 -5.2603 -5.2603 4.9046 4.9046 11.9736 11.9736 12.1345 12.1345 12.3397 12.3397 12.8349 12.8349 12.9546 12.9546 14.1414 14.1414 14.1475 14.1475 14.2456 14.2456 15.2290 15.2290 15.2964 15.2964 15.3895 15.3895 15.7464 15.7464 16.0449 16.0449 17.1711 17.1711 17.1986 17.1986 k = 0.0614 0.0354 0.1002 ( 4573 PWs) bands (ev): -41.5547 -41.5547 -18.2621 -18.2621 -17.6090 -17.6090 -17.6083 -17.6083 -6.2928 -6.2928 -6.2922 -6.2922 -5.2804 -5.2804 -5.2617 -5.2617 -5.2607 -5.2607 4.8758 4.8758 12.0117 12.0117 12.1623 12.1623 12.3356 12.3356 12.8190 12.8190 12.9209 12.9209 14.1609 14.1609 14.1641 14.1641 14.2436 14.2436 15.2763 15.2763 15.3264 15.3264 15.4289 15.4289 15.7430 15.7430 16.0023 16.0023 17.1879 17.1879 17.2091 17.2091 k = 0.0545 0.0315 0.0891 ( 4577 PWs) bands (ev): -41.5547 -41.5547 -18.2620 -18.2620 -17.6088 -17.6088 -17.6083 -17.6083 -6.2929 -6.2929 -6.2924 -6.2924 -5.2805 -5.2805 -5.2618 -5.2618 -5.2610 -5.2610 4.8499 4.8499 12.0453 12.0453 12.1904 12.1904 12.3323 12.3323 12.8036 12.8036 12.8884 12.8884 14.1756 14.1756 14.1806 14.1806 14.2419 14.2419 15.3234 15.3234 15.3575 15.3575 15.4651 15.4651 15.7386 15.7386 15.9600 15.9600 17.2034 17.2034 17.2192 17.2192 k = 0.0477 0.0276 0.0779 ( 4577 PWs) bands (ev): -41.5547 -41.5547 -18.2619 -18.2619 -17.6086 -17.6086 -17.6082 -17.6082 -6.2930 -6.2930 -6.2926 -6.2926 -5.2807 -5.2807 -5.2619 -5.2619 -5.2613 -5.2613 4.8271 4.8271 12.0745 12.0745 12.2184 12.2184 12.3300 12.3300 12.7890 12.7890 12.8574 12.8574 14.1882 14.1882 14.1949 14.1949 14.2405 14.2405 15.3689 15.3689 15.3901 15.3901 15.4979 15.4979 15.7331 15.7331 15.9180 15.9180 17.2173 17.2173 17.2288 17.2288 k = 0.0409 0.0236 0.0668 ( 4581 PWs) bands (ev): -41.5547 -41.5547 -18.2618 -18.2618 -17.6085 -17.6085 -17.6082 -17.6082 -6.2931 -6.2931 -6.2928 -6.2928 -5.2808 -5.2808 -5.2620 -5.2620 -5.2615 -5.2615 4.8072 4.8072 12.0993 12.0993 12.2454 12.2454 12.3289 12.3289 12.7753 12.7753 12.8282 12.8282 14.1991 14.1991 14.2065 14.2065 14.2395 14.2395 15.4103 15.4103 15.4259 15.4259 15.5270 15.5270 15.7264 15.7264 15.8764 15.8764 17.2296 17.2296 17.2377 17.2377 k = 0.0341 0.0197 0.0557 ( 4585 PWs) bands (ev): -41.5547 -41.5547 -18.2618 -18.2618 -17.6084 -17.6084 -17.6082 -17.6082 -6.2931 -6.2931 -6.2929 -6.2929 -5.2809 -5.2809 -5.2621 -5.2621 -5.2618 -5.2618 4.7903 4.7903 12.1198 12.1198 12.2705 12.2705 12.3291 12.3291 12.7628 12.7628 12.8015 12.8015 14.2082 14.2082 14.2155 14.2155 14.2391 14.2391 15.4467 15.4467 15.4648 15.4648 15.5522 15.5522 15.7180 15.7180 15.8354 15.8354 17.2402 17.2402 17.2456 17.2456 k = 0.0273 0.0157 0.0445 ( 4597 PWs) bands (ev): -41.5548 -41.5548 -18.2617 -18.2617 -17.6083 -17.6083 -17.6081 -17.6081 -6.2932 -6.2932 -6.2931 -6.2931 -5.2809 -5.2809 -5.2622 -5.2622 -5.2619 -5.2619 4.7765 4.7765 12.1362 12.1362 12.2928 12.2928 12.3305 12.3305 12.7518 12.7518 12.7778 12.7778 14.2156 14.2156 14.2219 14.2219 14.2394 14.2394 15.4812 15.4812 15.5029 15.5029 15.5736 15.5736 15.7079 15.7079 15.7952 15.7952 17.2490 17.2490 17.2523 17.2523 k = 0.0205 0.0118 0.0334 ( 4589 PWs) bands (ev): -41.5548 -41.5548 -18.2617 -18.2617 -17.6082 -17.6082 -17.6081 -17.6081 -6.2932 -6.2932 -6.2932 -6.2932 -5.2810 -5.2810 -5.2622 -5.2622 -5.2621 -5.2621 4.7657 4.7657 12.1485 12.1485 12.3115 12.3115 12.3327 12.3327 12.7427 12.7427 12.7579 12.7579 14.2213 14.2213 14.2257 14.2257 14.2408 14.2408 15.5150 15.5150 15.5373 15.5373 15.5914 15.5914 15.6958 15.6958 15.7559 15.7559 17.2560 17.2560 17.2577 17.2577 k = 0.0136 0.0079 0.0223 ( 4585 PWs) bands (ev): -41.5548 -41.5548 -18.2616 -18.2616 -17.6081 -17.6081 -17.6081 -17.6081 -6.2933 -6.2933 -6.2932 -6.2932 -5.2811 -5.2811 -5.2622 -5.2622 -5.2622 -5.2622 4.7580 4.7580 12.1570 12.1570 12.3256 12.3256 12.3351 12.3351 12.7358 12.7358 12.7428 12.7428 14.2253 14.2253 14.2276 14.2276 14.2426 14.2426 15.5478 15.5478 15.5658 15.5658 15.6073 15.6073 15.6819 15.6819 15.7182 15.7182 17.2610 17.2610 17.2617 17.2617 k = 0.0068 0.0039 0.0111 ( 4575 PWs) bands (ev): -41.5548 -41.5548 -18.2616 -18.2616 -17.6081 -17.6081 -17.6081 -17.6081 -6.2933 -6.2933 -6.2933 -6.2933 -5.2811 -5.2811 -5.2623 -5.2623 -5.2622 -5.2622 4.7534 4.7534 12.1619 12.1619 12.3345 12.3345 12.3369 12.3369 12.7315 12.7315 12.7333 12.7333 14.2277 14.2277 14.2283 14.2283 14.2441 14.2441 15.5765 15.5765 15.5843 15.5843 15.6247 15.6247 15.6676 15.6676 15.6833 15.6833 17.2640 17.2640 17.2642 17.2642 k = 0.0000 0.0000 0.0000 ( 4573 PWs) bands (ev): -41.5548 -41.5548 -18.2616 -18.2616 -17.6081 -17.6081 -17.6081 -17.6081 -6.2933 -6.2933 -6.2933 -6.2933 -5.2811 -5.2811 -5.2623 -5.2623 -5.2623 -5.2623 4.7519 4.7519 12.1635 12.1635 12.3376 12.3376 12.3376 12.3376 12.7300 12.7300 12.7300 12.7300 14.2285 14.2285 14.2285 14.2285 14.2447 14.2447 15.5902 15.5902 15.5902 15.5902 15.6413 15.6413 15.6599 15.6599 15.6599 15.6599 17.2650 17.2650 17.2650 17.2650 k = 0.0000 0.0000 0.0000 ( 4573 PWs) bands (ev): -41.5548 -41.5548 -18.2616 -18.2616 -17.6081 -17.6081 -17.6081 -17.6081 -6.2933 -6.2933 -6.2933 -6.2933 -5.2811 -5.2811 -5.2623 -5.2623 -5.2623 -5.2623 4.7519 4.7519 12.1635 12.1635 12.3376 12.3376 12.3376 12.3376 12.7300 12.7300 12.7300 12.7300 14.2285 14.2285 14.2285 14.2285 14.2447 14.2447 15.5902 15.5902 15.5902 15.5902 15.6413 15.6413 15.6599 15.6599 15.6599 15.6599 17.2650 17.2650 17.2650 17.2650 k = 0.0111 0.0064 0.0045 ( 4579 PWs) bands (ev): -41.5548 -41.5548 -18.2616 -18.2616 -17.6081 -17.6081 -17.6081 -17.6081 -6.2933 -6.2933 -6.2933 -6.2933 -5.2811 -5.2811 -5.2623 -5.2623 -5.2622 -5.2622 4.7534 4.7534 12.1619 12.1619 12.3356 12.3356 12.3358 12.3358 12.7322 12.7322 12.7325 12.7325 14.2279 14.2279 14.2281 14.2281 14.2441 14.2441 15.5783 15.5783 15.5827 15.5827 15.6234 15.6234 15.6716 15.6716 15.6803 15.6803 17.2641 17.2641 17.2641 17.2641 k = 0.0222 0.0128 0.0091 ( 4588 PWs) bands (ev): -41.5548 -41.5548 -18.2616 -18.2616 -17.6081 -17.6081 -17.6081 -17.6081 -6.2932 -6.2932 -6.2932 -6.2932 -5.2811 -5.2811 -5.2622 -5.2622 -5.2622 -5.2622 4.7580 4.7580 12.1572 12.1572 12.3298 12.3298 12.3306 12.3306 12.7388 12.7388 12.7398 12.7398 14.2262 14.2262 14.2269 14.2269 14.2424 14.2424 15.5534 15.5534 15.5623 15.5623 15.6005 15.6005 15.6959 15.6959 15.7088 15.7088 17.2614 17.2614 17.2614 17.2614 k = 0.0333 0.0192 0.0136 ( 4591 PWs) bands (ev): -41.5548 -41.5548 -18.2617 -18.2617 -17.6082 -17.6082 -17.6081 -17.6081 -6.2932 -6.2932 -6.2932 -6.2932 -5.2810 -5.2810 -5.2622 -5.2622 -5.2621 -5.2621 4.7657 4.7657 12.1493 12.1493 12.3203 12.3203 12.3225 12.3225 12.7495 12.7495 12.7516 12.7516 14.2235 14.2235 14.2248 14.2248 14.2396 14.2396 15.5248 15.5248 15.5346 15.5346 15.5747 15.5747 15.7235 15.7235 15.7381 15.7381 17.2569 17.2569 17.2569 17.2569 k = 0.0444 0.0257 0.0181 ( 4588 PWs) bands (ev): -41.5548 -41.5548 -18.2617 -18.2617 -17.6083 -17.6083 -17.6081 -17.6081 -6.2931 -6.2931 -6.2931 -6.2931 -5.2809 -5.2809 -5.2622 -5.2622 -5.2619 -5.2619 4.7764 4.7764 12.1386 12.1386 12.3074 12.3074 12.3119 12.3119 12.7638 12.7638 12.7673 12.7673 14.2196 14.2196 14.2218 14.2218 14.2357 14.2357 15.4948 15.4948 15.5034 15.5034 15.5435 15.5435 15.7521 15.7521 15.7674 15.7674 17.2508 17.2508 17.2508 17.2508 k = 0.0556 0.0321 0.0227 ( 4582 PWs) bands (ev): -41.5547 -41.5547 -18.2618 -18.2618 -17.6084 -17.6084 -17.6082 -17.6082 -6.2931 -6.2931 -6.2930 -6.2930 -5.2809 -5.2809 -5.2621 -5.2621 -5.2617 -5.2617 4.7902 4.7902 12.1250 12.1250 12.2912 12.2912 12.2993 12.2993 12.7815 12.7815 12.7864 12.7864 14.2148 14.2148 14.2177 14.2177 14.2305 14.2305 15.4642 15.4642 15.4696 15.4696 15.5070 15.5070 15.7808 15.7808 15.7963 15.7963 17.2432 17.2432 17.2432 17.2432 k = 0.0667 0.0385 0.0272 ( 4585 PWs) bands (ev): -41.5547 -41.5547 -18.2618 -18.2618 -17.6085 -17.6085 -17.6082 -17.6082 -6.2930 -6.2930 -6.2929 -6.2929 -5.2808 -5.2808 -5.2620 -5.2620 -5.2615 -5.2615 4.8070 4.8070 12.1087 12.1087 12.2722 12.2722 12.2854 12.2854 12.8020 12.8020 12.8082 12.8082 14.2088 14.2088 14.2124 14.2124 14.2240 14.2240 15.4321 15.4321 15.4333 15.4333 15.4674 15.4674 15.8093 15.8093 15.8248 15.8248 17.2342 17.2342 17.2342 17.2342 k = 0.0778 0.0449 0.0318 ( 4579 PWs) bands (ev): -41.5547 -41.5547 -18.2619 -18.2619 -17.6086 -17.6086 -17.6082 -17.6082 -6.2929 -6.2929 -6.2927 -6.2927 -5.2807 -5.2807 -5.2620 -5.2620 -5.2613 -5.2613 4.8268 4.8268 12.0896 12.0896 12.2508 12.2508 12.2706 12.2706 12.8249 12.8249 12.8323 12.8323 14.2020 14.2020 14.2059 14.2059 14.2159 14.2159 15.3886 15.3886 15.4023 15.4023 15.4286 15.4286 15.8375 15.8375 15.8528 15.8528 17.2240 17.2240 17.2242 17.2242 k = 0.0889 0.0513 0.0363 ( 4579 PWs) bands (ev): -41.5547 -41.5547 -18.2620 -18.2620 -17.6088 -17.6088 -17.6083 -17.6083 -6.2928 -6.2928 -6.2925 -6.2925 -5.2805 -5.2805 -5.2619 -5.2619 -5.2610 -5.2610 4.8496 4.8496 12.0673 12.0673 12.2276 12.2276 12.2552 12.2552 12.8498 12.8498 12.8582 12.8582 14.1941 14.1941 14.1978 14.1978 14.2064 14.2064 15.3382 15.3382 15.3713 15.3713 15.3924 15.3924 15.8652 15.8652 15.8800 15.8800 17.2128 17.2128 17.2132 17.2132 k = 0.1000 0.0577 0.0408 ( 4582 PWs) bands (ev): -41.5547 -41.5547 -18.2621 -18.2621 -17.6090 -17.6090 -17.6083 -17.6083 -6.2926 -6.2926 -6.2923 -6.2923 -5.2804 -5.2804 -5.2618 -5.2618 -5.2606 -5.2606 4.8753 4.8753 12.0415 12.0415 12.2032 12.2032 12.2395 12.2395 12.8765 12.8765 12.8857 12.8857 14.1855 14.1855 14.1874 14.1874 14.1958 14.1958 15.2833 15.2833 15.3403 15.3403 15.3581 15.3581 15.8923 15.8923 15.9065 15.9065 17.2008 17.2008 17.2015 17.2015 k = 0.1111 0.0642 0.0454 ( 4576 PWs) bands (ev): -41.5547 -41.5547 -18.2622 -18.2622 -17.6092 -17.6092 -17.6083 -17.6083 -6.2925 -6.2925 -6.2921 -6.2921 -5.2802 -5.2802 -5.2616 -5.2616 -5.2603 -5.2603 4.9040 4.9040 12.0114 12.0114 12.1784 12.1784 12.2239 12.2239 12.9045 12.9045 12.9144 12.9144 14.1736 14.1736 14.1760 14.1760 14.1850 14.1850 15.2262 15.2262 15.3094 15.3094 15.3249 15.3249 15.9187 15.9187 15.9322 15.9322 17.1882 17.1882 17.1893 17.1893 k = 0.1222 0.0706 0.0499 ( 4576 PWs) bands (ev): -41.5547 -41.5547 -18.2623 -18.2623 -17.6094 -17.6094 -17.6084 -17.6084 -6.2923 -6.2923 -6.2919 -6.2919 -5.2800 -5.2800 -5.2615 -5.2615 -5.2599 -5.2599 4.9356 4.9356 11.9765 11.9765 12.1541 12.1541 12.2083 12.2083 12.9338 12.9338 12.9441 12.9441 14.1558 14.1558 14.1657 14.1657 14.1742 14.1742 15.1688 15.1688 15.2787 15.2787 15.2922 15.2922 15.9444 15.9444 15.9570 15.9570 17.1753 17.1753 17.1769 17.1769 k = 0.1333 0.0770 0.0544 ( 4570 PWs) bands (ev): -41.5546 -41.5546 -18.2624 -18.2624 -17.6096 -17.6096 -17.6084 -17.6084 -6.2922 -6.2922 -6.2916 -6.2916 -5.2798 -5.2798 -5.2614 -5.2614 -5.2594 -5.2594 4.9701 4.9701 11.9362 11.9362 12.1307 12.1307 12.1931 12.1931 12.9639 12.9639 12.9746 12.9746 14.1341 14.1341 14.1548 14.1548 14.1631 14.1631 15.1128 15.1128 15.2480 15.2480 15.2600 15.2600 15.9692 15.9692 15.9808 15.9808 17.1622 17.1622 17.1645 17.1645 k = 0.1444 0.0834 0.0590 ( 4576 PWs) bands (ev): -41.5546 -41.5546 -18.2625 -18.2625 -17.6099 -17.6099 -17.6085 -17.6085 -6.2920 -6.2920 -6.2914 -6.2914 -5.2796 -5.2796 -5.2612 -5.2612 -5.2590 -5.2590 5.0074 5.0074 11.8900 11.8900 12.1089 12.1089 12.1783 12.1783 12.9948 12.9948 13.0056 13.0056 14.1087 14.1087 14.1434 14.1434 14.1515 14.1515 15.0593 15.0593 15.2176 15.2176 15.2280 15.2280 15.9931 15.9931 16.0036 16.0036 17.1493 17.1493 17.1524 17.1524 k = 0.1556 0.0898 0.0635 ( 4552 PWs) bands (ev): -41.5546 -41.5546 -18.2627 -18.2627 -17.6101 -17.6101 -17.6086 -17.6086 -6.2918 -6.2918 -6.2911 -6.2911 -5.2794 -5.2794 -5.2611 -5.2611 -5.2585 -5.2585 5.0474 5.0474 11.8379 11.8379 12.0885 12.0885 12.1640 12.1640 13.0263 13.0263 13.0371 13.0371 14.0796 14.0796 14.1314 14.1314 14.1396 14.1396 15.0093 15.0093 15.1873 15.1873 15.1964 15.1964 16.0161 16.0161 16.0254 16.0254 17.1367 17.1367 17.1406 17.1406 k = 0.1667 0.0962 0.0680 ( 4552 PWs) bands (ev): -41.5546 -41.5546 -18.2628 -18.2628 -17.6104 -17.6104 -17.6086 -17.6086 -6.2916 -6.2916 -6.2908 -6.2908 -5.2792 -5.2792 -5.2609 -5.2609 -5.2580 -5.2580 5.0902 5.0902 11.7800 11.7800 12.0697 12.0697 12.1502 12.1502 13.0581 13.0581 13.0689 13.0689 14.0472 14.0472 14.1191 14.1191 14.1273 14.1273 14.9637 14.9637 15.1572 15.1572 15.1650 15.1650 16.0379 16.0379 16.0460 16.0460 17.1247 17.1247 17.1295 17.1295 k = 0.1778 0.1026 0.0726 ( 4543 PWs) bands (ev): -41.5546 -41.5546 -18.2630 -18.2630 -17.6107 -17.6107 -17.6087 -17.6087 -6.2914 -6.2914 -6.2905 -6.2905 -5.2790 -5.2790 -5.2608 -5.2608 -5.2574 -5.2574 5.1357 5.1357 11.7163 11.7163 12.0523 12.0523 12.1371 12.1371 13.0902 13.0902 13.1009 13.1009 14.0119 14.0119 14.1064 14.1064 14.1148 14.1148 14.9226 14.9226 15.1274 15.1274 15.1338 15.1338 16.0587 16.0587 16.0654 16.0654 17.1134 17.1134 17.1192 17.1192 k = 0.1889 0.1091 0.0771 ( 4555 PWs) bands (ev): -41.5545 -41.5545 -18.2631 -18.2631 -17.6110 -17.6110 -17.6088 -17.6088 -6.2912 -6.2912 -6.2902 -6.2902 -5.2787 -5.2787 -5.2606 -5.2606 -5.2569 -5.2569 5.1837 5.1837 11.6470 11.6470 12.0362 12.0362 12.1245 12.1245 13.1223 13.1223 13.1328 13.1328 13.9745 13.9745 14.0935 14.0935 14.1022 14.1022 14.8861 14.8861 15.0977 15.0977 15.1030 15.1030 16.0782 16.0782 16.0836 16.0836 17.1031 17.1031 17.1099 17.1099 k = 0.2000 0.1155 0.0816 ( 4549 PWs) bands (ev): -41.5545 -41.5545 -18.2633 -18.2633 -17.6113 -17.6113 -17.6088 -17.6088 -6.2910 -6.2910 -6.2899 -6.2899 -5.2785 -5.2785 -5.2604 -5.2604 -5.2563 -5.2563 5.2343 5.2343 11.5724 11.5724 12.0212 12.0212 12.1126 12.1126 13.1544 13.1544 13.1647 13.1647 13.9358 13.9358 14.0806 14.0806 14.0896 14.0896 14.8540 14.8540 15.0683 15.0683 15.0724 15.0724 16.0965 16.0965 16.1005 16.1005 17.0939 17.0939 17.1018 17.1018 k = 0.2111 0.1219 0.0862 ( 4555 PWs) bands (ev): -41.5545 -41.5545 -18.2635 -18.2635 -17.6116 -17.6116 -17.6089 -17.6089 -6.2908 -6.2908 -6.2895 -6.2895 -5.2782 -5.2782 -5.2602 -5.2602 -5.2558 -5.2558 5.2874 5.2874 11.4927 11.4927 12.0072 12.0072 12.1014 12.1014 13.1863 13.1863 13.1964 13.1964 13.8968 13.8968 14.0676 14.0676 14.0771 14.0771 14.8258 14.8258 15.0392 15.0392 15.0422 15.0422 16.1135 16.1135 16.1162 16.1162 17.0860 17.0860 17.0948 17.0948 k = 0.2222 0.1283 0.0907 ( 4555 PWs) bands (ev): -41.5545 -41.5545 -18.2636 -18.2636 -17.6119 -17.6119 -17.6090 -17.6090 -6.2905 -6.2905 -6.2892 -6.2892 -5.2780 -5.2780 -5.2600 -5.2600 -5.2552 -5.2552 5.3428 5.3428 11.4081 11.4081 11.9942 11.9942 12.0908 12.0908 13.2178 13.2178 13.2278 13.2278 13.8583 13.8583 14.0548 14.0548 14.0649 14.0649 14.8011 14.8011 15.0103 15.0103 15.0124 15.0124 16.1291 16.1291 16.1305 16.1305 17.0795 17.0795 17.0893 17.0893 k = 0.2333 0.1347 0.0953 ( 4549 PWs) bands (ev): -41.5544 -41.5544 -18.2638 -18.2638 -17.6122 -17.6122 -17.6091 -17.6091 -6.2903 -6.2903 -6.2888 -6.2888 -5.2777 -5.2777 -5.2598 -5.2598 -5.2546 -5.2546 5.4005 5.4005 11.3190 11.3190 11.9820 11.9820 12.0809 12.0809 13.2489 13.2489 13.2587 13.2587 13.8211 13.8211 14.0422 14.0422 14.0530 14.0530 14.7792 14.7792 14.9817 14.9817 14.9830 14.9830 16.1433 16.1433 16.1435 16.1435 17.0745 17.0745 17.0852 17.0852 k = 0.2444 0.1411 0.0998 ( 4561 PWs) bands (ev): -41.5544 -41.5544 -18.2640 -18.2640 -17.6126 -17.6126 -17.6091 -17.6091 -6.2901 -6.2901 -6.2885 -6.2885 -5.2774 -5.2774 -5.2597 -5.2597 -5.2540 -5.2540 5.4604 5.4604 11.2257 11.2257 11.9707 11.9707 12.0716 12.0716 13.2794 13.2794 13.2891 13.2891 13.7860 13.7860 14.0298 14.0298 14.0416 14.0416 14.7595 14.7595 14.9534 14.9534 14.9541 14.9541 16.1551 16.1551 16.1562 16.1562 17.0712 17.0712 17.0825 17.0825 k = 0.2556 0.1475 0.1043 ( 4567 PWs) bands (ev): -41.5544 -41.5544 -18.2641 -18.2641 -17.6129 -17.6129 -17.6092 -17.6092 -6.2899 -6.2899 -6.2881 -6.2881 -5.2772 -5.2772 -5.2595 -5.2595 -5.2534 -5.2534 5.5223 5.5223 11.1287 11.1287 11.9601 11.9601 12.0630 12.0630 13.3090 13.3090 13.3188 13.3188 13.7535 13.7535 14.0179 14.0179 14.0308 14.0308 14.7417 14.7417 14.9255 14.9255 14.9257 14.9257 16.1655 16.1655 16.1676 16.1676 17.0695 17.0695 17.0814 17.0814 k = 0.2667 0.1540 0.1089 ( 4573 PWs) bands (ev): -41.5543 -41.5543 -18.2643 -18.2643 -17.6132 -17.6132 -17.6093 -17.6093 -6.2896 -6.2896 -6.2878 -6.2878 -5.2769 -5.2769 -5.2593 -5.2593 -5.2528 -5.2528 5.5861 5.5861 11.0285 11.0285 11.9503 11.9503 12.0550 12.0550 13.3378 13.3378 13.3478 13.3478 13.7240 13.7240 14.0065 14.0065 14.0207 14.0207 14.7252 14.7252 14.8979 14.8979 14.8979 14.8979 16.1746 16.1746 16.1776 16.1776 17.0694 17.0694 17.0817 17.0817 k = 0.2778 0.1604 0.1134 ( 4573 PWs) bands (ev): -41.5543 -41.5543 -18.2645 -18.2645 -17.6135 -17.6135 -17.6094 -17.6094 -6.2894 -6.2894 -6.2875 -6.2875 -5.2766 -5.2766 -5.2591 -5.2591 -5.2522 -5.2522 5.6518 5.6518 10.9255 10.9255 11.9411 11.9411 12.0475 12.0475 13.3656 13.3656 13.3759 13.3759 13.6977 13.6977 13.9957 13.9957 14.0113 14.0113 14.7097 14.7097 14.8708 14.8708 14.8708 14.8708 16.1826 16.1826 16.1863 16.1863 17.0711 17.0711 17.0835 17.0835 k = 0.2889 0.1668 0.1179 ( 4567 PWs) bands (ev): -41.5543 -41.5543 -18.2646 -18.2646 -17.6138 -17.6138 -17.6094 -17.6094 -6.2892 -6.2892 -6.2871 -6.2871 -5.2764 -5.2764 -5.2589 -5.2589 -5.2516 -5.2516 5.7190 5.7190 10.8202 10.8202 11.9327 11.9327 12.0407 12.0407 13.3922 13.3922 13.4030 13.4030 13.6749 13.6749 13.9855 13.9855 14.0029 14.0029 14.6948 14.6948 14.8442 14.8442 14.8445 14.8445 16.1893 16.1893 16.1937 16.1937 17.0742 17.0742 17.0866 17.0866 k = 0.3000 0.1732 0.1225 ( 4576 PWs) bands (ev): -41.5543 -41.5543 -18.2648 -18.2648 -17.6142 -17.6142 -17.6095 -17.6095 -6.2890 -6.2890 -6.2868 -6.2868 -5.2761 -5.2761 -5.2587 -5.2587 -5.2510 -5.2510 5.7876 5.7876 10.7132 10.7132 11.9249 11.9249 12.0345 12.0345 13.4174 13.4174 13.4291 13.4291 13.6555 13.6555 13.9761 13.9761 13.9954 13.9954 14.6801 14.6801 14.8181 14.8181 14.8191 14.8191 16.1950 16.1950 16.1998 16.1998 17.0789 17.0789 17.0910 17.0910 k = 0.3111 0.1796 0.1270 ( 4573 PWs) bands (ev): -41.5542 -41.5542 -18.2650 -18.2650 -17.6145 -17.6145 -17.6096 -17.6096 -6.2887 -6.2887 -6.2865 -6.2865 -5.2759 -5.2759 -5.2585 -5.2585 -5.2505 -5.2505 5.8575 5.8575 10.6051 10.6051 11.9176 11.9176 12.0287 12.0287 13.4411 13.4411 13.4540 13.4540 13.6397 13.6397 13.9675 13.9675 13.9889 13.9889 14.6656 14.6656 14.7927 14.7927 14.7947 14.7947 16.1997 16.1997 16.2049 16.2049 17.0849 17.0849 17.0966 17.0966 k = 0.3222 0.1860 0.1315 ( 4570 PWs) bands (ev): -41.5542 -41.5542 -18.2651 -18.2651 -17.6147 -17.6147 -17.6096 -17.6096 -6.2885 -6.2885 -6.2861 -6.2861 -5.2756 -5.2756 -5.2583 -5.2583 -5.2499 -5.2499 5.9283 5.9283 10.4965 10.4965 11.9110 11.9110 12.0235 12.0235 13.4632 13.4632 13.4776 13.4776 13.6273 13.6273 13.9598 13.9598 13.9835 13.9835 14.6509 14.6509 14.7679 14.7679 14.7715 14.7715 16.2035 16.2035 16.2089 16.2089 17.0922 17.0922 17.1033 17.1033 k = 0.3333 0.1925 0.1361 ( 4564 PWs) bands (ev): -41.5542 -41.5542 -18.2653 -18.2653 -17.6150 -17.6150 -17.6097 -17.6097 -6.2883 -6.2883 -6.2858 -6.2858 -5.2754 -5.2754 -5.2581 -5.2581 -5.2494 -5.2494 5.9998 5.9998 10.3880 10.3880 11.9049 11.9049 12.0188 12.0188 13.4834 13.4834 13.4999 13.4999 13.6183 13.6183 13.9529 13.9529 13.9792 13.9792 14.6360 14.6360 14.7439 14.7439 14.7495 14.7495 16.2066 16.2066 16.2121 16.2121 17.1005 17.1005 17.1108 17.1108 k = 0.3444 0.1989 0.1406 ( 4570 PWs) bands (ev): -41.5542 -41.5542 -18.2654 -18.2654 -17.6153 -17.6153 -17.6098 -17.6098 -6.2881 -6.2881 -6.2855 -6.2855 -5.2752 -5.2752 -5.2580 -5.2580 -5.2489 -5.2489 6.0716 6.0716 10.2802 10.2802 11.8994 11.8994 12.0145 12.0145 13.5015 13.5015 13.5208 13.5208 13.6127 13.6127 13.9469 13.9469 13.9759 13.9759 14.6208 14.6208 14.7208 14.7208 14.7288 14.7288 16.2089 16.2089 16.2144 16.2144 17.1097 17.1097 17.1190 17.1190 k = 0.3556 0.2053 0.1452 ( 4576 PWs) bands (ev): -41.5542 -41.5542 -18.2656 -18.2656 -17.6156 -17.6156 -17.6098 -17.6098 -6.2879 -6.2879 -6.2853 -6.2853 -5.2750 -5.2750 -5.2578 -5.2578 -5.2484 -5.2484 6.1435 6.1435 10.1737 10.1737 11.8943 11.8943 12.0107 12.0107 13.5174 13.5174 13.5402 13.5402 13.6103 13.6103 13.9419 13.9419 13.9737 13.9737 14.6053 14.6053 14.6986 14.6986 14.7094 14.7094 16.2106 16.2106 16.2160 16.2160 17.1195 17.1195 17.1278 17.1278 k = 0.3667 0.2117 0.1497 ( 4564 PWs) bands (ev): -41.5541 -41.5541 -18.2657 -18.2657 -17.6158 -17.6158 -17.6099 -17.6099 -6.2878 -6.2878 -6.2850 -6.2850 -5.2748 -5.2748 -5.2577 -5.2577 -5.2479 -5.2479 6.2148 6.2148 10.0694 10.0694 11.8897 11.8897 12.0072 12.0072 13.5309 13.5309 13.5581 13.5581 13.6111 13.6111 13.9378 13.9378 13.9725 13.9725 14.5897 14.5897 14.6775 14.6775 14.6913 14.6913 16.2118 16.2118 16.2171 16.2171 17.1297 17.1297 17.1369 17.1369 k = 0.3778 0.2181 0.1542 ( 4552 PWs) bands (ev): -41.5541 -41.5541 -18.2658 -18.2658 -17.6160 -17.6160 -17.6099 -17.6099 -6.2876 -6.2876 -6.2847 -6.2847 -5.2746 -5.2746 -5.2575 -5.2575 -5.2475 -5.2475 6.2853 6.2853 9.9678 9.9678 11.8856 11.8856 12.0042 12.0042 13.5421 13.5421 13.5744 13.5744 13.6146 13.6146 13.9345 13.9345 13.9722 13.9722 14.5742 14.5742 14.6575 14.6575 14.6745 14.6745 16.2126 16.2126 16.2177 16.2177 17.1402 17.1402 17.1462 17.1462 k = 0.3889 0.2245 0.1588 ( 4552 PWs) bands (ev): -41.5541 -41.5541 -18.2659 -18.2659 -17.6163 -17.6163 -17.6100 -17.6100 -6.2874 -6.2874 -6.2845 -6.2845 -5.2744 -5.2744 -5.2574 -5.2574 -5.2471 -5.2471 6.3542 6.3542 9.8698 9.8698 11.8819 11.8819 12.0015 12.0015 13.5512 13.5512 13.5891 13.5891 13.6202 13.6202 13.9320 13.9320 13.9726 13.9726 14.5589 14.5589 14.6388 14.6388 14.6590 14.6590 16.2130 16.2130 16.2179 16.2179 17.1507 17.1507 17.1555 17.1555 k = 0.4000 0.2309 0.1633 ( 4543 PWs) bands (ev): -41.5541 -41.5541 -18.2660 -18.2660 -17.6164 -17.6164 -17.6100 -17.6100 -6.2873 -6.2873 -6.2843 -6.2843 -5.2742 -5.2742 -5.2572 -5.2572 -5.2467 -5.2467 6.4209 6.4209 9.7763 9.7763 11.8786 11.8786 11.9991 11.9991 13.5588 13.5588 13.6023 13.6023 13.6272 13.6272 13.9303 13.9303 13.9737 13.9737 14.5442 14.5442 14.6215 14.6215 14.6446 14.6446 16.2131 16.2131 16.2179 16.2179 17.1610 17.1610 17.1646 17.1646 k = 0.4111 0.2374 0.1678 ( 4543 PWs) bands (ev): -41.5541 -41.5541 -18.2661 -18.2661 -17.6166 -17.6166 -17.6101 -17.6101 -6.2872 -6.2872 -6.2841 -6.2841 -5.2741 -5.2741 -5.2571 -5.2571 -5.2464 -5.2464 6.4847 6.4847 9.6882 9.6882 11.8757 11.8757 11.9970 11.9970 13.5653 13.5653 13.6139 13.6139 13.6349 13.6349 13.9292 13.9292 13.9753 13.9753 14.5302 14.5302 14.6056 14.6056 14.6314 14.6314 16.2131 16.2131 16.2176 16.2176 17.1708 17.1708 17.1733 17.1733 k = 0.4222 0.2438 0.1724 ( 4537 PWs) bands (ev): -41.5541 -41.5541 -18.2662 -18.2662 -17.6168 -17.6168 -17.6101 -17.6101 -6.2871 -6.2871 -6.2839 -6.2839 -5.2740 -5.2740 -5.2570 -5.2570 -5.2461 -5.2461 6.5446 6.5446 9.6064 9.6064 11.8732 11.8732 11.9953 11.9953 13.5710 13.5710 13.6240 13.6240 13.6425 13.6425 13.9286 13.9286 13.9771 13.9771 14.5173 14.5173 14.5913 14.5913 14.6194 14.6194 16.2129 16.2129 16.2172 16.2172 17.1801 17.1801 17.1814 17.1814 k = 0.4333 0.2502 0.1769 ( 4539 PWs) bands (ev): -41.5540 -41.5540 -18.2663 -18.2663 -17.6169 -17.6169 -17.6102 -17.6102 -6.2870 -6.2870 -6.2838 -6.2838 -5.2739 -5.2739 -5.2569 -5.2569 -5.2458 -5.2458 6.5998 6.5998 9.5321 9.5321 11.8710 11.8710 11.9938 11.9938 13.5761 13.5761 13.6325 13.6325 13.6498 13.6498 13.9284 13.9284 13.9791 13.9791 14.5055 14.5055 14.5787 14.5787 14.6087 14.6087 16.2126 16.2126 16.2168 16.2168 17.1885 17.1885 17.1888 17.1888 k = 0.4444 0.2566 0.1814 ( 4545 PWs) bands (ev): -41.5540 -41.5540 -18.2664 -18.2664 -17.6170 -17.6170 -17.6102 -17.6102 -6.2869 -6.2869 -6.2836 -6.2836 -5.2738 -5.2738 -5.2569 -5.2569 -5.2456 -5.2456 6.6491 6.6491 9.4664 9.4664 11.8692 11.8692 11.9925 11.9925 13.5805 13.5805 13.6397 13.6397 13.6565 13.6565 13.9284 13.9284 13.9811 13.9811 14.4953 14.4953 14.5679 14.5679 14.5994 14.5994 16.2123 16.2123 16.2163 16.2163 17.1953 17.1953 17.1960 17.1960 k = 0.4556 0.2630 0.1860 ( 4545 PWs) bands (ev): -41.5540 -41.5540 -18.2664 -18.2664 -17.6171 -17.6171 -17.6102 -17.6102 -6.2868 -6.2868 -6.2835 -6.2835 -5.2737 -5.2737 -5.2568 -5.2568 -5.2454 -5.2454 6.6914 6.6914 9.4105 9.4105 11.8677 11.8677 11.9915 11.9915 13.5843 13.5843 13.6455 13.6455 13.6622 13.6622 13.9287 13.9287 13.9830 13.9830 14.4866 14.4866 14.5589 14.5589 14.5915 14.5915 16.2120 16.2120 16.2159 16.2159 17.2008 17.2009 17.2023 17.2023 k = 0.4667 0.2694 0.1905 ( 4545 PWs) bands (ev): -41.5540 -41.5540 -18.2664 -18.2664 -17.6172 -17.6172 -17.6102 -17.6102 -6.2867 -6.2867 -6.2834 -6.2834 -5.2736 -5.2736 -5.2567 -5.2567 -5.2453 -5.2453 6.7258 6.7258 9.3656 9.3656 11.8666 11.8666 11.9908 11.9908 13.5873 13.5873 13.6499 13.6499 13.6669 13.6669 13.9290 13.9290 13.9845 13.9845 14.4797 14.4797 14.5518 14.5518 14.5852 14.5852 16.2117 16.2117 16.2155 16.2155 17.2052 17.2052 17.2074 17.2074 k = 0.4778 0.2758 0.1951 ( 4545 PWs) bands (ev): -41.5540 -41.5540 -18.2665 -18.2665 -17.6173 -17.6173 -17.6102 -17.6102 -6.2867 -6.2867 -6.2834 -6.2834 -5.2736 -5.2736 -5.2567 -5.2567 -5.2452 -5.2452 6.7512 6.7512 9.3326 9.3326 11.8658 11.8658 11.9902 11.9902 13.5895 13.5895 13.6530 13.6530 13.6703 13.6703 13.9293 13.9293 13.9857 13.9857 14.4747 14.4747 14.5467 14.5467 14.5807 14.5807 16.2115 16.2115 16.2152 16.2152 17.2084 17.2084 17.2111 17.2111 k = 0.4889 0.2823 0.1996 ( 4521 PWs) bands (ev): -41.5540 -41.5540 -18.2665 -18.2665 -17.6173 -17.6173 -17.6102 -17.6102 -6.2867 -6.2867 -6.2833 -6.2833 -5.2735 -5.2735 -5.2567 -5.2567 -5.2451 -5.2451 6.7668 6.7668 9.3125 9.3125 11.8654 11.8654 11.9899 11.9899 13.5909 13.5909 13.6549 13.6549 13.6724 13.6724 13.9295 13.9295 13.9865 13.9865 14.4717 14.4717 14.5436 14.5436 14.5779 14.5779 16.2114 16.2114 16.2150 16.2150 17.2103 17.2103 17.2133 17.2133 k = 0.5000 0.2887 0.2041 ( 4512 PWs) bands (ev): -41.5540 -41.5540 -18.2665 -18.2665 -17.6173 -17.6173 -17.6103 -17.6103 -6.2867 -6.2867 -6.2833 -6.2833 -5.2735 -5.2735 -5.2567 -5.2567 -5.2451 -5.2451 6.7720 6.7720 9.3057 9.3057 11.8652 11.8652 11.9898 11.9898 13.5914 13.5914 13.6555 13.6555 13.6731 13.6731 13.9296 13.9296 13.9867 13.9867 14.4706 14.4706 14.5426 14.5426 14.5769 14.5769 16.2114 16.2114 16.2149 16.2149 17.2110 17.2110 17.2141 17.2141 k = 0.5000 0.2887 0.2041 ( 4512 PWs) bands (ev): -41.5540 -41.5540 -18.2665 -18.2665 -17.6173 -17.6173 -17.6103 -17.6103 -6.2867 -6.2867 -6.2833 -6.2833 -5.2735 -5.2735 -5.2567 -5.2567 -5.2451 -5.2451 6.7720 6.7720 9.3057 9.3057 11.8652 11.8652 11.9898 11.9898 13.5914 13.5914 13.6555 13.6555 13.6731 13.6731 13.9296 13.9296 13.9867 13.9867 14.4706 14.4706 14.5426 14.5426 14.5769 14.5769 16.2114 16.2114 16.2149 16.2149 17.2110 17.2110 17.2141 17.2141 k = 0.5039 0.2774 0.2105 ( 4534 PWs) bands (ev): -41.5540 -41.5540 -18.2665 -18.2665 -17.6173 -17.6173 -17.6103 -17.6103 -6.2867 -6.2867 -6.2833 -6.2833 -5.2735 -5.2735 -5.2567 -5.2567 -5.2451 -5.2451 6.7727 6.7727 9.3072 9.3072 11.8643 11.8643 11.9890 11.9890 13.5901 13.5901 13.6550 13.6550 13.6711 13.6711 13.9319 13.9319 13.9887 13.9887 14.4706 14.4706 14.5420 14.5420 14.5773 14.5773 16.2109 16.2109 16.2145 16.2145 17.2097 17.2097 17.2131 17.2131 k = 0.5078 0.2661 0.2169 ( 4540 PWs) bands (ev): -41.5540 -41.5540 -18.2665 -18.2665 -17.6173 -17.6173 -17.6103 -17.6103 -6.2867 -6.2867 -6.2833 -6.2833 -5.2735 -5.2735 -5.2567 -5.2567 -5.2451 -5.2451 6.7747 6.7747 9.3119 9.3119 11.8614 11.8614 11.9867 11.9867 13.5859 13.5859 13.6527 13.6527 13.6662 13.6662 13.9383 13.9383 13.9948 13.9948 14.4705 14.4705 14.5403 14.5403 14.5784 14.5784 16.2092 16.2092 16.2135 16.2135 17.2052 17.2052 17.2111 17.2111 k = 0.5117 0.2548 0.2233 ( 4542 PWs) bands (ev): -41.5540 -41.5540 -18.2665 -18.2665 -17.6173 -17.6173 -17.6103 -17.6103 -6.2867 -6.2867 -6.2834 -6.2834 -5.2735 -5.2735 -5.2566 -5.2566 -5.2452 -5.2452 6.7780 6.7780 9.3197 9.3197 11.8557 11.8557 11.9837 11.9837 13.5779 13.5779 13.6470 13.6470 13.6626 13.6626 13.9475 13.9475 14.0049 14.0049 14.4700 14.4700 14.5376 14.5376 14.5805 14.5805 16.2058 16.2058 16.2126 16.2126 17.1970 17.1970 17.2086 17.2086 k = 0.5156 0.2436 0.2296 ( 4545 PWs) bands (ev): -41.5540 -41.5540 -18.2665 -18.2665 -17.6173 -17.6173 -17.6103 -17.6103 -6.2867 -6.2867 -6.2834 -6.2834 -5.2735 -5.2735 -5.2566 -5.2566 -5.2453 -5.2453 6.7825 6.7825 9.3305 9.3305 11.8464 11.8464 11.9812 11.9812 13.5653 13.5653 13.6383 13.6383 13.6620 13.6620 13.9584 13.9584 14.0188 14.0188 14.4689 14.4689 14.5337 14.5337 14.5838 14.5838 16.2006 16.2006 16.2116 16.2116 17.1854 17.1854 17.2053 17.2053 k = 0.5195 0.2323 0.2360 ( 4541 PWs) bands (ev): -41.5540 -41.5540 -18.2665 -18.2665 -17.6173 -17.6173 -17.6104 -17.6104 -6.2867 -6.2867 -6.2834 -6.2834 -5.2734 -5.2734 -5.2566 -5.2566 -5.2454 -5.2454 6.7884 6.7884 9.3444 9.3444 11.8323 11.8323 11.9801 11.9801 13.5478 13.5478 13.6290 13.6290 13.6635 13.6635 13.9702 13.9702 14.0356 14.0356 14.4668 14.4668 14.5290 14.5290 14.5884 14.5884 16.1939 16.1939 16.2105 16.2105 17.1708 17.1708 17.2014 17.2014 k = 0.5234 0.2210 0.2424 ( 4543 PWs) bands (ev): -41.5540 -41.5540 -18.2665 -18.2665 -17.6172 -17.6172 -17.6105 -17.6105 -6.2866 -6.2866 -6.2835 -6.2835 -5.2734 -5.2734 -5.2566 -5.2566 -5.2455 -5.2455 6.7956 6.7956 9.3613 9.3613 11.8128 11.8128 11.9814 11.9814 13.5261 13.5261 13.6202 13.6202 13.6668 13.6668 13.9827 13.9827 14.0545 14.0545 14.4633 14.4633 14.5236 14.5236 14.5946 14.5946 16.1858 16.1858 16.2092 16.2092 17.1535 17.1535 17.1967 17.1967 k = 0.5273 0.2097 0.2488 ( 4540 PWs) bands (ev): -41.5540 -41.5540 -18.2666 -18.2666 -17.6172 -17.6172 -17.6105 -17.6105 -6.2866 -6.2866 -6.2835 -6.2835 -5.2734 -5.2734 -5.2565 -5.2565 -5.2456 -5.2456 6.8039 6.8039 9.3812 9.3812 11.7877 11.7877 11.9853 11.9853 13.5011 13.5011 13.6116 13.6116 13.6717 13.6717 13.9958 13.9958 14.0747 14.0747 14.4585 14.4585 14.5175 14.5175 14.6022 14.6022 16.1763 16.1763 16.2076 16.2076 17.1338 17.1338 17.1914 17.1914 k = 0.5312 0.1985 0.2552 ( 4540 PWs) bands (ev): -41.5540 -41.5540 -18.2666 -18.2666 -17.6172 -17.6172 -17.6106 -17.6106 -6.2866 -6.2866 -6.2836 -6.2836 -5.2733 -5.2733 -5.2565 -5.2565 -5.2458 -5.2458 6.8135 6.8135 9.4041 9.4041 11.7574 11.7574 11.9917 11.9917 13.4739 13.4739 13.6032 13.6032 13.6780 13.6780 14.0096 14.0096 14.0951 14.0951 14.4524 14.4524 14.5109 14.5109 14.6113 14.6113 16.1657 16.1657 16.2056 16.2056 17.1121 17.1121 17.1856 17.1856 k = 0.5352 0.1872 0.2615 ( 4534 PWs) bands (ev): -41.5540 -41.5540 -18.2666 -18.2666 -17.6171 -17.6171 -17.6107 -17.6107 -6.2866 -6.2866 -6.2836 -6.2836 -5.2733 -5.2733 -5.2565 -5.2565 -5.2460 -5.2460 6.8242 6.8242 9.4299 9.4299 11.7222 11.7222 12.0004 12.0004 13.4450 13.4450 13.5948 13.5948 13.6858 13.6858 14.0239 14.0239 14.1153 14.1153 14.4451 14.4451 14.5039 14.5039 14.6216 14.6216 16.1541 16.1541 16.2033 16.2033 17.0884 17.0884 17.1794 17.1794 k = 0.5391 0.1759 0.2679 ( 4533 PWs) bands (ev): -41.5540 -41.5540 -18.2666 -18.2666 -17.6171 -17.6171 -17.6108 -17.6108 -6.2866 -6.2866 -6.2837 -6.2837 -5.2732 -5.2732 -5.2564 -5.2564 -5.2462 -5.2462 6.8361 6.8361 9.4585 9.4585 11.6827 11.6827 12.0112 12.0112 13.4151 13.4151 13.5864 13.5864 13.6949 13.6949 14.0387 14.0387 14.1344 14.1344 14.4371 14.4371 14.4966 14.4966 14.6328 14.6328 16.1416 16.1416 16.2006 16.2006 17.0630 17.0630 17.1729 17.1729 k = 0.5430 0.1646 0.2743 ( 4539 PWs) bands (ev): -41.5540 -41.5540 -18.2666 -18.2666 -17.6170 -17.6170 -17.6109 -17.6109 -6.2866 -6.2866 -6.2837 -6.2837 -5.2732 -5.2732 -5.2564 -5.2564 -5.2464 -5.2464 6.8490 6.8490 9.4898 9.4898 11.6393 11.6393 12.0237 12.0237 13.3843 13.3843 13.5780 13.5780 13.7051 13.7051 14.0540 14.0540 14.1520 14.1520 14.4288 14.4288 14.4891 14.4891 14.6445 14.6445 16.1284 16.1284 16.1975 16.1975 17.0360 17.0360 17.1663 17.1663 k = 0.5469 0.1534 0.2807 ( 4541 PWs) bands (ev): -41.5540 -41.5540 -18.2667 -18.2667 -17.6170 -17.6170 -17.6110 -17.6110 -6.2866 -6.2866 -6.2838 -6.2838 -5.2731 -5.2731 -5.2563 -5.2563 -5.2466 -5.2466 6.8630 6.8630 9.5238 9.5238 11.5924 11.5924 12.0379 12.0379 13.3529 13.3529 13.5698 13.5698 13.7163 13.7163 14.0696 14.0696 14.1675 14.1675 14.4209 14.4209 14.4816 14.4816 14.6566 14.6566 16.1147 16.1147 16.1938 16.1938 17.0073 17.0073 17.1597 17.1597 k = 0.5508 0.1421 0.2870 ( 4540 PWs) bands (ev): -41.5540 -41.5540 -18.2667 -18.2667 -17.6169 -17.6169 -17.6111 -17.6111 -6.2866 -6.2866 -6.2839 -6.2839 -5.2731 -5.2731 -5.2562 -5.2562 -5.2468 -5.2468 6.8778 6.8778 9.5605 9.5605 11.5425 11.5425 12.0535 12.0535 13.3212 13.3212 13.5618 13.5618 13.7284 13.7284 14.0855 14.0855 14.1801 14.1801 14.4136 14.4136 14.4743 14.4743 14.6688 14.6688 16.1008 16.1008 16.1896 16.1896 16.9770 16.9770 17.1532 17.1532 k = 0.5547 0.1308 0.2934 ( 4544 PWs) bands (ev): -41.5539 -41.5539 -18.2667 -18.2667 -17.6168 -17.6168 -17.6112 -17.6112 -6.2865 -6.2865 -6.2840 -6.2840 -5.2730 -5.2730 -5.2562 -5.2562 -5.2470 -5.2470 6.8936 6.8936 9.5996 9.5996 11.4899 11.4899 12.0704 12.0704 13.2893 13.2893 13.5540 13.5540 13.7412 13.7412 14.1013 14.1013 14.1895 14.1895 14.4073 14.4073 14.4677 14.4677 14.6807 14.6807 16.0867 16.0867 16.1848 16.1848 16.9451 16.9451 17.1471 17.1471 k = 0.5586 0.1195 0.2998 ( 4544 PWs) bands (ev): -41.5539 -41.5539 -18.2667 -18.2667 -17.6168 -17.6168 -17.6114 -17.6114 -6.2865 -6.2865 -6.2840 -6.2840 -5.2730 -5.2730 -5.2561 -5.2561 -5.2472 -5.2472 6.9101 6.9101 9.6410 9.6410 11.4351 11.4351 12.0885 12.0885 13.2572 13.2572 13.5466 13.5466 13.7544 13.7544 14.1169 14.1169 14.1955 14.1955 14.4017 14.4017 14.4627 14.4627 14.6922 14.6922 16.0728 16.0728 16.1794 16.1794 16.9116 16.9116 17.1415 17.1415 k = 0.5625 0.1083 0.3062 ( 4550 PWs) bands (ev): -41.5539 -41.5539 -18.2668 -18.2668 -17.6167 -17.6167 -17.6115 -17.6115 -6.2865 -6.2865 -6.2841 -6.2841 -5.2730 -5.2730 -5.2560 -5.2560 -5.2474 -5.2474 6.9274 6.9274 9.6847 9.6847 11.3783 11.3783 12.1078 12.1078 13.2252 13.2252 13.5395 13.5395 13.7678 13.7678 14.1317 14.1317 14.1986 14.1986 14.3961 14.3961 14.4600 14.4600 14.7031 14.7031 16.0592 16.0592 16.1733 16.1733 16.8765 16.8765 17.1365 17.1365 k = 0.5664 0.0970 0.3126 ( 4547 PWs) bands (ev): -41.5539 -41.5539 -18.2668 -18.2668 -17.6167 -17.6167 -17.6116 -17.6116 -6.2865 -6.2865 -6.2842 -6.2842 -5.2730 -5.2730 -5.2560 -5.2560 -5.2477 -5.2477 6.9452 6.9452 9.7304 9.7304 11.3201 11.3201 12.1280 12.1280 13.1933 13.1933 13.5328 13.5328 13.7811 13.7811 14.1446 14.1446 14.2002 14.2002 14.3896 14.3896 14.4606 14.4606 14.7133 14.7133 16.0461 16.0461 16.1666 16.1666 16.8401 16.8401 17.1324 17.1324 k = 0.5703 0.0857 0.3189 ( 4549 PWs) bands (ev): -41.5539 -41.5539 -18.2668 -18.2668 -17.6166 -17.6166 -17.6117 -17.6117 -6.2865 -6.2865 -6.2843 -6.2843 -5.2729 -5.2729 -5.2559 -5.2559 -5.2479 -5.2479 6.9634 6.9634 9.7779 9.7779 11.2607 11.2607 12.1491 12.1491 13.1616 13.1616 13.5266 13.5266 13.7940 13.7940 14.1535 14.1535 14.2029 14.2029 14.3816 14.3816 14.4644 14.4644 14.7227 14.7227 16.0337 16.0337 16.1592 16.1592 16.8024 16.8024 17.1292 17.1292 k = 0.5742 0.0744 0.3253 ( 4551 PWs) bands (ev): -41.5539 -41.5539 -18.2668 -18.2668 -17.6166 -17.6166 -17.6119 -17.6119 -6.2865 -6.2865 -6.2844 -6.2844 -5.2729 -5.2729 -5.2558 -5.2558 -5.2481 -5.2481 6.9820 6.9820 9.8270 9.8270 11.2008 11.2008 12.1710 12.1710 13.1304 13.1304 13.5209 13.5209 13.8061 13.8061 14.1562 14.1562 14.2098 14.2098 14.3722 14.3722 14.4710 14.4710 14.7313 14.7313 16.0220 16.0220 16.1510 16.1510 16.7639 16.7639 17.1270 17.1270 k = 0.5781 0.0631 0.3317 ( 4551 PWs) bands (ev): -41.5539 -41.5539 -18.2669 -18.2669 -17.6165 -17.6165 -17.6120 -17.6120 -6.2865 -6.2865 -6.2844 -6.2844 -5.2729 -5.2729 -5.2558 -5.2558 -5.2483 -5.2483 7.0008 7.0008 9.8774 9.8774 11.1407 11.1407 12.1936 12.1936 13.0997 13.0997 13.5158 13.5158 13.8169 13.8169 14.1533 14.1533 14.2207 14.2207 14.3618 14.3618 14.4794 14.4794 14.7390 14.7390 16.0111 16.0111 16.1422 16.1422 16.7248 16.7248 17.1261 17.1261 k = 0.5820 0.0519 0.3381 ( 4547 PWs) bands (ev): -41.5539 -41.5539 -18.2669 -18.2669 -17.6165 -17.6165 -17.6121 -17.6121 -6.2865 -6.2865 -6.2845 -6.2845 -5.2729 -5.2729 -5.2557 -5.2557 -5.2484 -5.2484 7.0196 7.0196 9.9287 9.9287 11.0810 11.0810 12.2168 12.2168 13.0697 13.0697 13.5111 13.5111 13.8261 13.8261 14.1475 14.1475 14.2334 14.2334 14.3512 14.3512 14.4889 14.4889 14.7460 14.7460 16.0011 16.0011 16.1326 16.1326 16.6856 16.6856 17.1265 17.1265 k = 0.5859 0.0406 0.3445 ( 4543 PWs) bands (ev): -41.5539 -41.5539 -18.2669 -18.2669 -17.6164 -17.6164 -17.6122 -17.6122 -6.2865 -6.2865 -6.2846 -6.2846 -5.2729 -5.2729 -5.2557 -5.2557 -5.2486 -5.2486 7.0382 7.0382 9.9804 9.9804 11.0225 11.0225 12.2405 12.2405 13.0405 13.0405 13.5071 13.5071 13.8333 13.8333 14.1405 14.1405 14.2460 14.2460 14.3412 14.3412 14.4988 14.4988 14.7525 14.7525 15.9921 15.9921 16.1224 16.1224 16.6469 16.6469 17.1283 17.1283 k = 0.5898 0.0293 0.3508 ( 4539 PWs) bands (ev): -41.5539 -41.5539 -18.2669 -18.2669 -17.6164 -17.6164 -17.6123 -17.6123 -6.2866 -6.2866 -6.2846 -6.2846 -5.2730 -5.2730 -5.2556 -5.2556 -5.2487 -5.2487 7.0565 7.0565 10.0316 10.0316 10.9661 10.9661 12.2646 12.2646 13.0124 13.0124 13.5036 13.5036 13.8379 13.8379 14.1334 14.1334 14.2563 14.2563 14.3334 14.3334 14.5087 14.5087 14.7586 14.7586 15.9840 15.9840 16.1115 16.1115 16.6092 16.6092 17.1316 17.1316 k = 0.5938 0.0180 0.3572 ( 4542 PWs) bands (ev): -41.5539 -41.5539 -18.2670 -18.2670 -17.6163 -17.6163 -17.6124 -17.6124 -6.2866 -6.2866 -6.2847 -6.2847 -5.2730 -5.2730 -5.2556 -5.2556 -5.2489 -5.2489 7.0742 7.0742 10.0815 10.0815 10.9130 10.9130 12.2890 12.2890 12.9854 12.9854 13.5007 13.5007 13.8399 13.8399 14.1269 14.1269 14.2615 14.2615 14.3304 14.3304 14.5182 14.5182 14.7645 14.7645 15.9769 15.9769 16.1000 16.1000 16.5729 16.5729 17.1363 17.1363 k = 0.5977 0.0068 0.3636 ( 4540 PWs) bands (ev): -41.5538 -41.5538 -18.2670 -18.2670 -17.6163 -17.6163 -17.6124 -17.6124 -6.2867 -6.2867 -6.2847 -6.2847 -5.2731 -5.2731 -5.2556 -5.2556 -5.2490 -5.2490 7.0911 7.0911 10.1285 10.1285 10.8648 10.8648 12.3135 12.3135 12.9597 12.9597 13.4983 13.4983 13.8391 13.8391 14.1209 14.1209 14.2596 14.2596 14.3342 14.3342 14.5271 14.5271 14.7706 14.7706 15.9706 15.9706 16.0880 16.0880 16.5386 16.5386 17.1426 17.1426 k = 0.6016-0.0045 0.3700 ( 4542 PWs) bands (ev): -41.5538 -41.5538 -18.2670 -18.2670 -17.6163 -17.6163 -17.6125 -17.6125 -6.2867 -6.2867 -6.2847 -6.2847 -5.2731 -5.2731 -5.2556 -5.2556 -5.2490 -5.2490 7.1069 7.1069 10.1707 10.1707 10.8238 10.8238 12.3381 12.3381 12.9357 12.9357 13.4965 13.4965 13.8354 13.8354 14.1156 14.1156 14.2519 14.2519 14.3436 14.3436 14.5350 14.5350 14.7772 14.7772 15.9651 15.9651 16.0754 16.0754 16.5067 16.5067 17.1503 17.1503 k = 0.6055-0.0158 0.3764 ( 4546 PWs) bands (ev): -41.5538 -41.5538 -18.2670 -18.2670 -17.6163 -17.6163 -17.6125 -17.6125 -6.2868 -6.2868 -6.2847 -6.2847 -5.2732 -5.2732 -5.2556 -5.2556 -5.2491 -5.2491 7.1214 7.1214 10.2051 10.2051 10.7930 10.7930 12.3627 12.3627 12.9133 12.9133 13.4952 13.4952 13.8291 13.8291 14.1106 14.1106 14.2408 14.2408 14.3560 14.3560 14.5418 14.5418 14.7847 14.7847 15.9605 15.9605 16.0623 16.0623 16.4776 16.4776 17.1593 17.1593 k = 0.6094-0.0271 0.3827 ( 4549 PWs) bands (ev): -41.5538 -41.5538 -18.2670 -18.2670 -17.6163 -17.6163 -17.6126 -17.6126 -6.2869 -6.2869 -6.2847 -6.2847 -5.2733 -5.2733 -5.2556 -5.2556 -5.2491 -5.2491 7.1343 7.1343 10.2287 10.2287 10.7758 10.7758 12.3871 12.3871 12.8929 12.8929 13.4944 13.4944 13.8203 13.8203 14.1057 14.1057 14.2282 14.2282 14.3697 14.3697 14.5474 14.5474 14.7932 14.7932 15.9566 15.9566 16.0489 16.0489 16.4514 16.4514 17.1692 17.1692 k = 0.6133-0.0383 0.3891 ( 4543 PWs) bands (ev): -41.5538 -41.5538 -18.2670 -18.2670 -17.6163 -17.6163 -17.6126 -17.6126 -6.2870 -6.2870 -6.2847 -6.2847 -5.2734 -5.2734 -5.2556 -5.2556 -5.2492 -5.2492 7.1452 7.1452 10.2388 10.2388 10.7750 10.7750 12.4111 12.4111 12.8746 12.8746 13.4940 13.4940 13.8094 13.8094 14.1004 14.1004 14.2150 14.2150 14.3838 14.3838 14.5517 14.5517 14.8031 14.8031 15.9536 15.9536 16.0351 16.0351 16.4284 16.4284 17.1789 17.1789 k = 0.6172-0.0496 0.3955 ( 4547 PWs) bands (ev): -41.5538 -41.5538 -18.2670 -18.2670 -17.6163 -17.6163 -17.6126 -17.6126 -6.2871 -6.2871 -6.2847 -6.2847 -5.2734 -5.2734 -5.2556 -5.2556 -5.2492 -5.2492 7.1539 7.1539 10.2351 10.2351 10.7911 10.7911 12.4348 12.4348 12.8585 12.8585 13.4940 13.4940 13.7965 13.7965 14.0947 14.0947 14.2016 14.2016 14.3980 14.3980 14.5548 14.5548 14.8144 14.8144 15.9514 15.9514 16.0210 16.0210 16.4086 16.4086 17.1850 17.1850 k = 0.6211-0.0609 0.4019 ( 4536 PWs) bands (ev): -41.5538 -41.5538 -18.2670 -18.2670 -17.6164 -17.6164 -17.6125 -17.6125 -6.2872 -6.2872 -6.2847 -6.2847 -5.2736 -5.2736 -5.2556 -5.2556 -5.2492 -5.2492 7.1600 7.1600 10.2199 10.2199 10.8222 10.8222 12.4579 12.4579 12.8449 12.8449 13.4943 13.4943 13.7819 13.7819 14.0883 14.0883 14.1884 14.1884 14.4119 14.4119 14.5566 14.5566 14.8271 14.8271 15.9499 15.9499 16.0068 16.0068 16.3919 16.3919 17.1759 17.1759 k = 0.6250-0.0722 0.4082 ( 4538 PWs) bands (ev): -41.5538 -41.5538 -18.2670 -18.2670 -17.6164 -17.6164 -17.6125 -17.6125 -6.2874 -6.2874 -6.2847 -6.2847 -5.2737 -5.2737 -5.2557 -5.2557 -5.2492 -5.2492 7.1632 7.1632 10.1967 10.1967 10.8649 10.8649 12.4804 12.4804 12.8338 12.8338 13.4948 13.4948 13.7657 13.7657 14.0813 14.0813 14.1756 14.1756 14.4254 14.4254 14.5572 14.5572 14.8412 14.8412 15.9490 15.9490 15.9927 15.9927 16.3780 16.3780 17.1377 17.1377 k = 0.6250-0.0722 0.4082 ( 4538 PWs) bands (ev): -41.5538 -41.5538 -18.2670 -18.2670 -17.6164 -17.6164 -17.6125 -17.6125 -6.2874 -6.2874 -6.2847 -6.2847 -5.2737 -5.2737 -5.2557 -5.2557 -5.2492 -5.2492 7.1632 7.1632 10.1967 10.1967 10.8649 10.8649 12.4804 12.4804 12.8338 12.8338 13.4948 13.4948 13.7657 13.7657 14.0813 14.0813 14.1756 14.1756 14.4254 14.4254 14.5572 14.5572 14.8412 14.8412 15.9490 15.9490 15.9927 15.9927 16.3780 16.3780 17.1377 17.1377 k = 0.6184-0.0684 0.4190 ( 4534 PWs) bands (ev): -41.5538 -41.5538 -18.2670 -18.2670 -17.6164 -17.6164 -17.6125 -17.6125 -6.2873 -6.2873 -6.2847 -6.2847 -5.2737 -5.2737 -5.2557 -5.2557 -5.2492 -5.2492 7.1635 7.1635 10.1978 10.1978 10.8649 10.8649 12.4740 12.4740 12.8384 12.8384 13.4952 13.4952 13.7647 13.7647 14.0807 14.0807 14.1763 14.1763 14.4245 14.4245 14.5583 14.5583 14.8415 14.8415 15.9489 15.9489 15.9921 15.9921 16.3799 16.3799 17.1357 17.1357 k = 0.6118-0.0646 0.4297 ( 4538 PWs) bands (ev): -41.5538 -41.5538 -18.2670 -18.2670 -17.6164 -17.6164 -17.6125 -17.6125 -6.2873 -6.2873 -6.2847 -6.2847 -5.2737 -5.2737 -5.2556 -5.2556 -5.2492 -5.2492 7.1646 7.1646 10.2012 10.2012 10.8648 10.8648 12.4559 12.4559 12.8511 12.8511 13.4964 13.4964 13.7614 13.7614 14.0789 14.0789 14.1782 14.1782 14.4219 14.4219 14.5616 14.5616 14.8424 14.8424 15.9486 15.9486 15.9904 15.9904 16.3853 16.3853 17.1299 17.1299 k = 0.6053-0.0608 0.4405 ( 4540 PWs) bands (ev): -41.5538 -41.5538 -18.2670 -18.2670 -17.6164 -17.6164 -17.6126 -17.6126 -6.2873 -6.2873 -6.2847 -6.2847 -5.2736 -5.2736 -5.2556 -5.2556 -5.2492 -5.2492 7.1663 7.1663 10.2067 10.2067 10.8646 10.8646 12.4284 12.4284 12.8696 12.8696 13.4985 13.4985 13.7562 13.7562 14.0761 14.0761 14.1812 14.1812 14.4178 14.4178 14.5666 14.5666 14.8439 14.8439 15.9482 15.9482 15.9876 15.9876 16.3941 16.3941 17.1205 17.1205 k = 0.5987-0.0570 0.4512 ( 4554 PWs) bands (ev): -41.5538 -41.5538 -18.2671 -18.2671 -17.6164 -17.6164 -17.6126 -17.6126 -6.2873 -6.2873 -6.2847 -6.2847 -5.2736 -5.2736 -5.2556 -5.2556 -5.2493 -5.2493 7.1686 7.1686 10.2145 10.2145 10.8641 10.8641 12.3940 12.3940 12.8917 12.8917 13.5014 13.5014 13.7490 13.7490 14.0725 14.0725 14.1851 14.1851 14.4124 14.4124 14.5732 14.5732 14.8459 14.8459 15.9475 15.9475 15.9841 15.9841 16.4062 16.4062 17.1083 17.1083 k = 0.5921-0.0532 0.4620 ( 4548 PWs) bands (ev): -41.5538 -41.5538 -18.2671 -18.2671 -17.6163 -17.6163 -17.6126 -17.6126 -6.2872 -6.2872 -6.2847 -6.2847 -5.2736 -5.2736 -5.2555 -5.2555 -5.2494 -5.2494 7.1715 7.1715 10.2245 10.2245 10.8632 10.8632 12.3550 12.3550 12.9156 12.9156 13.5050 13.5050 13.7400 13.7400 14.0684 14.0684 14.1897 14.1897 14.4061 14.4061 14.5810 14.5810 14.8483 14.8483 15.9466 15.9466 15.9799 15.9799 16.4212 16.4212 17.0940 17.0940 k = 0.5855-0.0494 0.4727 ( 4546 PWs) bands (ev): -41.5538 -41.5538 -18.2671 -18.2671 -17.6163 -17.6163 -17.6127 -17.6127 -6.2872 -6.2872 -6.2848 -6.2848 -5.2736 -5.2736 -5.2554 -5.2554 -5.2494 -5.2494 7.1750 7.1750 10.2368 10.2368 10.8616 10.8616 12.3129 12.3129 12.9398 12.9398 13.5093 13.5093 13.7295 13.7295 14.0641 14.0641 14.1948 14.1948 14.3992 14.3992 14.5896 14.5896 14.8511 14.8511 15.9454 15.9454 15.9753 15.9753 16.4390 16.4390 17.0784 17.0784 k = 0.5789-0.0456 0.4835 ( 4551 PWs) bands (ev): -41.5538 -41.5538 -18.2671 -18.2671 -17.6163 -17.6163 -17.6127 -17.6127 -6.2871 -6.2871 -6.2848 -6.2848 -5.2735 -5.2735 -5.2553 -5.2553 -5.2495 -5.2495 7.1790 7.1790 10.2512 10.2512 10.8590 10.8590 12.2690 12.2690 12.9635 12.9635 13.5141 13.5141 13.7177 13.7177 14.0597 14.0597 14.2003 14.2003 14.3917 14.3917 14.5987 14.5987 14.8542 14.8542 15.9438 15.9438 15.9706 15.9706 16.4590 16.4590 17.0622 17.0622 k = 0.5724-0.0418 0.4942 ( 4551 PWs) bands (ev): -41.5538 -41.5538 -18.2671 -18.2671 -17.6162 -17.6162 -17.6128 -17.6128 -6.2871 -6.2871 -6.2848 -6.2848 -5.2735 -5.2735 -5.2552 -5.2552 -5.2496 -5.2496 7.1834 7.1834 10.2678 10.2678 10.8550 10.8550 12.2246 12.2246 12.9862 12.9862 13.5195 13.5195 13.7049 13.7049 14.0553 14.0553 14.2060 14.2060 14.3839 14.3839 14.6080 14.6080 14.8574 14.8574 15.9419 15.9419 15.9659 15.9659 16.4812 16.4812 17.0460 17.0461 k = 0.5658-0.0380 0.5049 ( 4553 PWs) bands (ev): -41.5538 -41.5538 -18.2671 -18.2671 -17.6162 -17.6162 -17.6129 -17.6129 -6.2870 -6.2870 -6.2849 -6.2849 -5.2735 -5.2735 -5.2551 -5.2551 -5.2497 -5.2497 7.1882 7.1882 10.2866 10.2866 10.8493 10.8493 12.1805 12.1805 13.0075 13.0075 13.5254 13.5254 13.6913 13.6913 14.0513 14.0513 14.2119 14.2119 14.3759 14.3759 14.6174 14.6174 14.8608 14.8608 15.9396 15.9396 15.9616 15.9616 16.5050 16.5050 17.0303 17.0303 k = 0.5592-0.0342 0.5157 ( 4549 PWs) bands (ev): -41.5538 -41.5538 -18.2671 -18.2671 -17.6161 -17.6161 -17.6129 -17.6129 -6.2869 -6.2869 -6.2849 -6.2849 -5.2734 -5.2734 -5.2550 -5.2550 -5.2498 -5.2498 7.1932 7.1932 10.3074 10.3074 10.8414 10.8414 12.1378 12.1378 13.0270 13.0270 13.5316 13.5316 13.6775 13.6775 14.0476 14.0476 14.2179 14.2179 14.3678 14.3678 14.6265 14.6265 14.8641 14.8641 15.9370 15.9370 15.9578 15.9578 16.5302 16.5302 17.0140 17.0140 k = 0.5526-0.0304 0.5264 ( 4551 PWs) bands (ev): -41.5538 -41.5538 -18.2671 -18.2671 -17.6161 -17.6161 -17.6130 -17.6130 -6.2868 -6.2868 -6.2850 -6.2850 -5.2734 -5.2734 -5.2549 -5.2549 -5.2499 -5.2499 7.1983 7.1983 10.3304 10.3304 10.8309 10.8309 12.0973 12.0973 13.0446 13.0446 13.5380 13.5380 13.6635 13.6635 14.0444 14.0444 14.2239 14.2239 14.3597 14.3597 14.6353 14.6353 14.8672 14.8672 15.9340 15.9340 15.9545 15.9545 16.5564 16.5564 16.9934 16.9934 k = 0.5461-0.0266 0.5372 ( 4551 PWs) bands (ev): -41.5538 -41.5538 -18.2671 -18.2671 -17.6160 -17.6160 -17.6131 -17.6131 -6.2867 -6.2867 -6.2851 -6.2851 -5.2734 -5.2734 -5.2548 -5.2548 -5.2500 -5.2500 7.2035 7.2035 10.3554 10.3554 10.8174 10.8174 12.0598 12.0598 13.0601 13.0601 13.5445 13.5445 13.6499 13.6499 14.0417 14.0417 14.2298 14.2298 14.3517 14.3517 14.6434 14.6434 14.8701 14.8701 15.9311 15.9311 15.9516 15.9516 16.5833 16.5833 16.9668 16.9668 k = 0.5395-0.0228 0.5479 ( 4547 PWs) bands (ev): -41.5538 -41.5538 -18.2671 -18.2671 -17.6160 -17.6160 -17.6132 -17.6132 -6.2866 -6.2866 -6.2851 -6.2851 -5.2733 -5.2733 -5.2547 -5.2547 -5.2501 -5.2501 7.2085 7.2085 10.3823 10.3823 10.8005 10.8005 12.0262 12.0262 13.0734 13.0734 13.5510 13.5510 13.6369 13.6369 14.0396 14.0396 14.2357 14.2357 14.3439 14.3439 14.6508 14.6508 14.8727 14.8727 15.9284 15.9284 15.9490 15.9490 16.6106 16.6106 16.9379 16.9379 k = 0.5329-0.0190 0.5587 ( 4545 PWs) bands (ev): -41.5538 -41.5538 -18.2671 -18.2671 -17.6159 -17.6159 -17.6132 -17.6132 -6.2865 -6.2865 -6.2852 -6.2852 -5.2733 -5.2733 -5.2546 -5.2546 -5.2502 -5.2502 7.2133 7.2133 10.4110 10.4110 10.7800 10.7800 11.9972 11.9972 13.0844 13.0844 13.5574 13.5574 13.6249 13.6249 14.0380 14.0380 14.2413 14.2413 14.3365 14.3365 14.6572 14.6572 14.8749 14.8749 15.9261 15.9261 15.9467 15.9467 16.6379 16.6379 16.9085 16.9086 k = 0.5263-0.0152 0.5694 ( 4541 PWs) bands (ev): -41.5538 -41.5538 -18.2671 -18.2671 -17.6159 -17.6159 -17.6133 -17.6133 -6.2864 -6.2864 -6.2853 -6.2853 -5.2733 -5.2733 -5.2545 -5.2545 -5.2503 -5.2503 7.2177 7.2177 10.4413 10.4413 10.7561 10.7561 11.9731 11.9731 13.0932 13.0932 13.5636 13.5636 13.6140 13.6140 14.0371 14.0371 14.2466 14.2466 14.3296 14.3296 14.6627 14.6627 14.8766 14.8766 15.9245 15.9245 15.9445 15.9445 16.6650 16.6650 16.8795 16.8795 k = 0.5197-0.0114 0.5801 ( 4546 PWs) bands (ev): -41.5538 -41.5538 -18.2671 -18.2671 -17.6158 -17.6158 -17.6133 -17.6133 -6.2864 -6.2864 -6.2854 -6.2854 -5.2733 -5.2733 -5.2545 -5.2545 -5.2504 -5.2504 7.2214 7.2214 10.4725 10.4725 10.7293 10.7293 11.9544 11.9544 13.0998 13.0998 13.5695 13.5695 13.6044 13.6044 14.0366 14.0366 14.2514 14.2514 14.3235 14.3235 14.6670 14.6670 14.8779 14.8779 15.9235 15.9235 15.9424 15.9424 16.6915 16.6915 16.8512 16.8512 k = 0.5132-0.0076 0.5909 ( 4548 PWs) bands (ev): -41.5538 -41.5538 -18.2671 -18.2671 -17.6158 -17.6158 -17.6134 -17.6134 -6.2863 -6.2863 -6.2854 -6.2854 -5.2732 -5.2732 -5.2544 -5.2544 -5.2504 -5.2504 7.2244 7.2244 10.5033 10.5033 10.7010 10.7010 11.9412 11.9412 13.1042 13.1042 13.5750 13.5750 13.5964 13.5964 14.0364 14.0364 14.2553 14.2553 14.3185 14.3185 14.6700 14.6700 14.8787 14.8787 15.9233 15.9233 15.9405 15.9405 16.7173 16.7173 16.8240 16.8240 k = 0.5066-0.0038 0.6016 ( 4540 PWs) bands (ev): -41.5538 -41.5538 -18.2671 -18.2671 -17.6158 -17.6158 -17.6134 -17.6134 -6.2862 -6.2862 -6.2855 -6.2855 -5.2732 -5.2732 -5.2544 -5.2544 -5.2504 -5.2504 7.2263 7.2263 10.5300 10.5300 10.6754 10.6754 11.9335 11.9335 13.1067 13.1067 13.5800 13.5800 13.5900 13.5900 14.0365 14.0365 14.2579 14.2579 14.3152 14.3152 14.6719 14.6719 14.8791 14.8791 15.9236 15.9236 15.9389 15.9389 16.7415 16.7415 16.7989 16.7989 k = 0.5000-0.0000 0.6124 ( 4540 PWs) bands (ev): -41.5538 -41.5538 -18.2671 -18.2671 -17.6158 -17.6158 -17.6134 -17.6134 -6.2862 -6.2862 -6.2855 -6.2855 -5.2732 -5.2732 -5.2544 -5.2544 -5.2505 -5.2505 7.2270 7.2270 10.5424 10.5424 10.6633 10.6633 11.9310 11.9310 13.1075 13.1075 13.5836 13.5836 13.5860 13.5860 14.0366 14.0366 14.2588 14.2588 14.3141 14.3141 14.6725 14.6725 14.8792 14.8792 15.9238 15.9238 15.9382 15.9382 16.7568 16.7568 16.7832 16.7832 k = 0.5000-0.0000 0.6124 ( 4540 PWs) bands (ev): -41.5538 -41.5538 -18.2671 -18.2671 -17.6158 -17.6158 -17.6134 -17.6134 -6.2862 -6.2862 -6.2855 -6.2855 -5.2732 -5.2732 -5.2544 -5.2544 -5.2505 -5.2505 7.2270 7.2270 10.5424 10.5424 10.6633 10.6633 11.9310 11.9310 13.1075 13.1075 13.5836 13.5836 13.5860 13.5860 14.0366 14.0366 14.2588 14.2588 14.3141 14.3141 14.6725 14.6725 14.8792 14.8792 15.9238 15.9238 15.9382 15.9382 16.7568 16.7568 16.7832 16.7832 k = 0.5000 0.0078 0.6013 ( 4540 PWs) bands (ev): -41.5538 -41.5538 -18.2671 -18.2671 -17.6158 -17.6158 -17.6134 -17.6134 -6.2862 -6.2862 -6.2855 -6.2855 -5.2732 -5.2732 -5.2544 -5.2544 -5.2505 -5.2505 7.2260 7.2260 10.5413 10.5413 10.6624 10.6624 11.9338 11.9338 13.1061 13.1061 13.5839 13.5839 13.5871 13.5871 14.0369 14.0369 14.2593 14.2593 14.3147 14.3147 14.6712 14.6712 14.8781 14.8781 15.9244 15.9244 15.9391 15.9391 16.7574 16.7574 16.7837 16.7837 k = 0.5000 0.0156 0.5903 ( 4550 PWs) bands (ev): -41.5538 -41.5538 -18.2671 -18.2671 -17.6158 -17.6158 -17.6134 -17.6134 -6.2862 -6.2862 -6.2855 -6.2855 -5.2732 -5.2732 -5.2544 -5.2544 -5.2504 -5.2504 7.2228 7.2228 10.5369 10.5369 10.6608 10.6608 11.9420 11.9420 13.1021 13.1021 13.5844 13.5844 13.5910 13.5910 14.0378 14.0378 14.2608 14.2608 14.3166 14.3166 14.6672 14.6672 14.8750 14.8750 15.9260 15.9260 15.9416 15.9416 16.7591 16.7591 16.7853 16.7853 k = 0.5000 0.0234 0.5793 ( 4550 PWs) bands (ev): -41.5538 -41.5538 -18.2671 -18.2671 -17.6158 -17.6158 -17.6134 -17.6134 -6.2862 -6.2862 -6.2854 -6.2854 -5.2732 -5.2732 -5.2544 -5.2544 -5.2504 -5.2504 7.2176 7.2176 10.5267 10.5267 10.6618 10.6618 11.9551 11.9551 13.0959 13.0959 13.5848 13.5848 13.5974 13.5974 14.0394 14.0394 14.2631 14.2631 14.3197 14.3197 14.6604 14.6604 14.8702 14.8702 15.9287 15.9287 15.9457 15.9457 16.7619 16.7619 16.7882 16.7882 k = 0.5000 0.0312 0.5682 ( 4548 PWs) bands (ev): -41.5538 -41.5538 -18.2671 -18.2671 -17.6158 -17.6158 -17.6133 -17.6133 -6.2862 -6.2862 -6.2854 -6.2854 -5.2732 -5.2732 -5.2544 -5.2544 -5.2503 -5.2503 7.2105 7.2105 10.5080 10.5080 10.6685 10.6685 11.9721 11.9721 13.0880 13.0880 13.5852 13.5852 13.6057 13.6057 14.0418 14.0418 14.2662 14.2662 14.3241 14.3241 14.6507 14.6507 14.8640 14.8640 15.9325 15.9325 15.9512 15.9512 16.7655 16.7655 16.7925 16.7925 k = 0.5000 0.0390 0.5572 ( 4552 PWs) bands (ev): -41.5538 -41.5538 -18.2671 -18.2671 -17.6158 -17.6158 -17.6133 -17.6133 -6.2862 -6.2862 -6.2854 -6.2854 -5.2732 -5.2732 -5.2545 -5.2545 -5.2503 -5.2503 7.2014 7.2014 10.4803 10.4803 10.6823 10.6823 11.9920 11.9920 13.0792 13.0792 13.5858 13.5858 13.6154 13.6154 14.0451 14.0451 14.2697 14.2697 14.3295 14.3295 14.6381 14.6381 14.8569 14.8569 15.9374 15.9374 15.9578 15.9578 16.7699 16.7699 16.7983 16.7983 k = 0.5000 0.0468 0.5462 ( 4546 PWs) bands (ev): -41.5538 -41.5538 -18.2671 -18.2671 -17.6159 -17.6159 -17.6132 -17.6132 -6.2862 -6.2862 -6.2853 -6.2853 -5.2731 -5.2731 -5.2546 -5.2546 -5.2502 -5.2502 7.1907 7.1907 10.4449 10.4449 10.7026 10.7026 12.0136 12.0136 13.0702 13.0702 13.5864 13.5864 13.6257 13.6257 14.0495 14.0495 14.2737 14.2737 14.3360 14.3360 14.6226 14.6226 14.8494 14.8494 15.9432 15.9432 15.9652 15.9652 16.7750 16.7750 16.8057 16.8057 k = 0.5000 0.0546 0.5351 ( 4548 PWs) bands (ev): -41.5538 -41.5538 -18.2671 -18.2671 -17.6159 -17.6159 -17.6131 -17.6131 -6.2863 -6.2863 -6.2853 -6.2853 -5.2731 -5.2731 -5.2546 -5.2546 -5.2501 -5.2501 7.1783 7.1783 10.4034 10.4034 10.7288 10.7288 12.0357 12.0357 13.0620 13.0620 13.5871 13.5871 13.6362 13.6362 14.0550 14.0550 14.2778 14.2778 14.3432 14.3432 14.6043 14.6043 14.8417 14.8417 15.9502 15.9502 15.9734 15.9734 16.7809 16.7809 16.8144 16.8144 k = 0.5000 0.0624 0.5241 ( 4546 PWs) bands (ev): -41.5538 -41.5538 -18.2671 -18.2671 -17.6159 -17.6159 -17.6131 -17.6131 -6.2863 -6.2863 -6.2852 -6.2852 -5.2731 -5.2731 -5.2547 -5.2547 -5.2500 -5.2500 7.1644 7.1644 10.3573 10.3573 10.7598 10.7598 12.0573 12.0573 13.0551 13.0551 13.5879 13.5879 13.6463 13.6463 14.0617 14.0617 14.2821 14.2821 14.3508 14.3508 14.5837 14.5837 14.8341 14.8341 15.9580 15.9580 15.9821 15.9821 16.7878 16.7878 16.8243 16.8243 k = 0.5000 0.0702 0.5131 ( 4544 PWs) bands (ev): -41.5538 -41.5538 -18.2671 -18.2671 -17.6160 -17.6160 -17.6130 -17.6130 -6.2863 -6.2863 -6.2851 -6.2851 -5.2730 -5.2730 -5.2548 -5.2548 -5.2499 -5.2499 7.1492 7.1492 10.3079 10.3079 10.7951 10.7951 12.0774 12.0774 13.0503 13.0503 13.5888 13.5888 13.6556 13.6556 14.0698 14.0698 14.2863 14.2863 14.3586 14.3586 14.5610 14.5610 14.8266 14.8266 15.9666 15.9666 15.9914 15.9914 16.7959 16.7959 16.8350 16.8350 k = 0.5000 0.0780 0.5020 ( 4548 PWs) bands (ev): -41.5538 -41.5538 -18.2670 -18.2670 -17.6160 -17.6160 -17.6129 -17.6129 -6.2863 -6.2863 -6.2851 -6.2851 -5.2730 -5.2730 -5.2549 -5.2549 -5.2497 -5.2497 7.1329 7.1329 10.2560 10.2560 10.8341 10.8341 12.0951 12.0951 13.0481 13.0481 13.5897 13.5897 13.6640 13.6640 14.0791 14.0791 14.2904 14.2904 14.3663 14.3663 14.5370 14.5370 14.8192 14.8192 15.9756 15.9756 16.0014 16.0014 16.8052 16.8052 16.8465 16.8465 k = 0.5000 0.0858 0.4910 ( 4546 PWs) bands (ev): -41.5538 -41.5538 -18.2670 -18.2670 -17.6161 -17.6161 -17.6128 -17.6128 -6.2863 -6.2863 -6.2850 -6.2850 -5.2730 -5.2730 -5.2550 -5.2550 -5.2496 -5.2496 7.1157 7.1157 10.2026 10.2026 10.8765 10.8765 12.1099 12.1099 13.0491 13.0491 13.5907 13.5907 13.6710 13.6710 14.0897 14.0897 14.2940 14.2940 14.3732 14.3732 14.5125 14.5125 14.8117 14.8117 15.9848 15.9848 16.0124 16.0124 16.8159 16.8159 16.8584 16.8584 k = 0.5000 0.0936 0.4800 ( 4544 PWs) bands (ev): -41.5538 -41.5538 -18.2670 -18.2670 -17.6161 -17.6161 -17.6127 -17.6127 -6.2863 -6.2863 -6.2849 -6.2849 -5.2730 -5.2730 -5.2551 -5.2551 -5.2494 -5.2494 7.0977 7.0977 10.1481 10.1481 10.9217 10.9217 12.1211 12.1211 13.0535 13.0535 13.5917 13.5917 13.6768 13.6768 14.1012 14.1012 14.2969 14.2969 14.3791 14.3791 14.4883 14.4883 14.8042 14.8042 15.9938 15.9938 16.0245 16.0245 16.8281 16.8281 16.8708 16.8708 k = 0.5000 0.1014 0.4689 ( 4536 PWs) bands (ev): -41.5539 -41.5539 -18.2670 -18.2670 -17.6162 -17.6162 -17.6125 -17.6125 -6.2864 -6.2864 -6.2848 -6.2848 -5.2729 -5.2729 -5.2552 -5.2552 -5.2492 -5.2492 7.0791 7.0791 10.0933 10.0933 10.9695 10.9695 12.1287 12.1287 13.0615 13.0615 13.5928 13.5928 13.6812 13.6812 14.1135 14.1135 14.2986 14.2986 14.3831 14.3831 14.4661 14.4661 14.7963 14.7963 16.0025 16.0025 16.0377 16.0377 16.8417 16.8417 16.8834 16.8834 k = 0.5000 0.1092 0.4579 ( 4542 PWs) bands (ev): -41.5539 -41.5539 -18.2669 -18.2669 -17.6163 -17.6163 -17.6124 -17.6124 -6.2864 -6.2864 -6.2848 -6.2848 -5.2729 -5.2729 -5.2553 -5.2553 -5.2490 -5.2490 7.0601 7.0601 10.0385 10.0385 11.0194 11.0194 12.1326 12.1326 13.0731 13.0731 13.5939 13.5939 13.6844 13.6844 14.1262 14.1262 14.2981 14.2981 14.3841 14.3841 14.4481 14.4481 14.7880 14.7880 16.0109 16.0109 16.0519 16.0519 16.8568 16.8568 16.8963 16.8963 k = 0.5000 0.1170 0.4469 ( 4544 PWs) bands (ev): -41.5539 -41.5539 -18.2669 -18.2669 -17.6163 -17.6163 -17.6123 -17.6123 -6.2864 -6.2864 -6.2847 -6.2847 -5.2729 -5.2729 -5.2554 -5.2554 -5.2488 -5.2488 7.0407 7.0407 9.9842 9.9842 11.0710 11.0710 12.1330 12.1330 13.0880 13.0880 13.5950 13.5950 13.6863 13.6863 14.1387 14.1387 14.2941 14.2941 14.3812 14.3812 14.4369 14.4369 14.7793 14.7793 16.0193 16.0193 16.0666 16.0666 16.8734 16.8734 16.9095 16.9095 k = 0.5000 0.1248 0.4358 ( 4544 PWs) bands (ev): -41.5539 -41.5539 -18.2669 -18.2669 -17.6164 -17.6164 -17.6122 -17.6122 -6.2864 -6.2864 -6.2846 -6.2846 -5.2729 -5.2729 -5.2555 -5.2555 -5.2486 -5.2486 7.0213 7.0213 9.9306 9.9306 11.1240 11.1240 12.1302 12.1302 13.1061 13.1061 13.5961 13.5961 13.6872 13.6872 14.1507 14.1507 14.2855 14.2855 14.3760 14.3760 14.4327 14.4327 14.7699 14.7699 16.0278 16.0278 16.0816 16.0816 16.8913 16.8913 16.9230 16.9230 k = 0.5000 0.1326 0.4248 ( 4546 PWs) bands (ev): -41.5539 -41.5539 -18.2669 -18.2669 -17.6165 -17.6165 -17.6120 -17.6120 -6.2864 -6.2864 -6.2845 -6.2845 -5.2729 -5.2729 -5.2556 -5.2556 -5.2484 -5.2484 7.0019 7.0019 9.8782 9.8782 11.1779 11.1779 12.1245 12.1245 13.1270 13.1270 13.5973 13.5973 13.6872 13.6872 14.1611 14.1611 14.2720 14.2720 14.3717 14.3717 14.4332 14.4332 14.7599 14.7599 16.0365 16.0365 16.0965 16.0965 16.9103 16.9103 16.9370 16.9370 k = 0.5000 0.1404 0.4138 ( 4546 PWs) bands (ev): -41.5539 -41.5539 -18.2668 -18.2668 -17.6165 -17.6165 -17.6119 -17.6119 -6.2864 -6.2864 -6.2844 -6.2844 -5.2729 -5.2729 -5.2557 -5.2557 -5.2482 -5.2482 6.9827 6.9827 9.8271 9.8271 11.2325 11.2325 12.1165 12.1165 13.1503 13.1503 13.5985 13.5985 13.6863 13.6863 14.1689 14.1689 14.2552 14.2552 14.3700 14.3700 14.4360 14.4360 14.7492 14.7492 16.0456 16.0456 16.1109 16.1109 16.9300 16.9300 16.9518 16.9518 k = 0.5000 0.1482 0.4027 ( 4546 PWs) bands (ev): -41.5539 -41.5539 -18.2668 -18.2668 -17.6166 -17.6166 -17.6118 -17.6118 -6.2865 -6.2865 -6.2843 -6.2843 -5.2729 -5.2729 -5.2558 -5.2558 -5.2480 -5.2480 6.9638 6.9638 9.7775 9.7775 11.2873 11.2873 12.1065 12.1065 13.1756 13.1756 13.5998 13.5998 13.6849 13.6849 14.1724 14.1724 14.2377 14.2377 14.3709 14.3709 14.4403 14.4403 14.7379 14.7379 16.0552 16.0552 16.1247 16.1247 16.9499 16.9499 16.9679 16.9679 k = 0.5000 0.1560 0.3917 ( 4544 PWs) bands (ev): -41.5539 -41.5539 -18.2668 -18.2668 -17.6166 -17.6166 -17.6116 -17.6116 -6.2865 -6.2865 -6.2842 -6.2842 -5.2729 -5.2729 -5.2559 -5.2559 -5.2477 -5.2477 6.9453 6.9453 9.7298 9.7298 11.3419 11.3419 12.0951 12.0951 13.2026 13.2026 13.6012 13.6012 13.6829 13.6829 14.1692 14.1692 14.2225 14.2225 14.3741 14.3741 14.4456 14.4456 14.7259 14.7259 16.0653 16.0653 16.1375 16.1375 16.9688 16.9688 16.9860 16.9860 k = 0.5000 0.1638 0.3807 ( 4540 PWs) bands (ev): -41.5539 -41.5539 -18.2668 -18.2668 -17.6167 -17.6167 -17.6115 -17.6115 -6.2865 -6.2865 -6.2841 -6.2841 -5.2730 -5.2730 -5.2560 -5.2560 -5.2475 -5.2475 6.9274 6.9274 9.6840 9.6840 11.3960 11.3960 12.0828 12.0828 13.2309 13.2309 13.6027 13.6027 13.6805 13.6805 14.1580 14.1580 14.2115 14.2115 14.3794 14.3794 14.4517 14.4517 14.7134 14.7134 16.0760 16.0760 16.1493 16.1493 16.9863 16.9863 17.0064 17.0064 k = 0.5000 0.1716 0.3696 ( 4546 PWs) bands (ev): -41.5539 -41.5539 -18.2667 -18.2667 -17.6168 -17.6168 -17.6114 -17.6114 -6.2865 -6.2865 -6.2841 -6.2841 -5.2730 -5.2730 -5.2561 -5.2561 -5.2472 -5.2472 6.9101 6.9101 9.6403 9.6403 11.4491 11.4491 12.0698 12.0698 13.2602 13.2602 13.6042 13.6042 13.6779 13.6779 14.1412 14.1412 14.2025 14.2025 14.3865 14.3865 14.4583 14.4583 14.7004 14.7004 16.0870 16.0870 16.1600 16.1600 17.0031 17.0031 17.0283 17.0283 k = 0.5000 0.1794 0.3586 ( 4536 PWs) bands (ev): -41.5539 -41.5539 -18.2667 -18.2667 -17.6168 -17.6168 -17.6112 -17.6112 -6.2865 -6.2865 -6.2840 -6.2840 -5.2730 -5.2730 -5.2561 -5.2561 -5.2470 -5.2470 6.8935 6.8935 9.5989 9.5989 11.5009 11.5009 12.0566 12.0566 13.2903 13.2903 13.6059 13.6059 13.6752 13.6752 14.1220 14.1220 14.1927 14.1927 14.3951 14.3951 14.4654 14.4654 14.6871 14.6871 16.0985 16.0985 16.1695 16.1695 17.0198 17.0198 17.0507 17.0507 k = 0.5000 0.1872 0.3476 ( 4540 PWs) bands (ev): -41.5540 -41.5540 -18.2667 -18.2667 -17.6169 -17.6169 -17.6111 -17.6111 -6.2866 -6.2866 -6.2839 -6.2839 -5.2731 -5.2731 -5.2562 -5.2562 -5.2468 -5.2468 6.8777 6.8777 9.5599 9.5599 11.5508 11.5508 12.0435 12.0435 13.3208 13.3208 13.6078 13.6078 13.6724 13.6724 14.1021 14.1021 14.1809 14.1809 14.4048 14.4048 14.4728 14.4728 14.6737 14.6737 16.1102 16.1102 16.1778 16.1778 17.0367 17.0367 17.0729 17.0729 k = 0.5000 0.1951 0.3365 ( 4542 PWs) bands (ev): -41.5540 -41.5540 -18.2667 -18.2667 -17.6170 -17.6170 -17.6110 -17.6110 -6.2866 -6.2866 -6.2838 -6.2838 -5.2731 -5.2731 -5.2563 -5.2563 -5.2466 -5.2466 6.8628 6.8628 9.5233 9.5233 11.5986 11.5986 12.0308 12.0308 13.3516 13.3516 13.6099 13.6099 13.6696 13.6696 14.0825 14.0825 14.1669 14.1669 14.4150 14.4150 14.4804 14.4804 14.6603 14.6603 16.1221 16.1221 16.1850 16.1850 17.0540 17.0540 17.0945 17.0945 k = 0.5000 0.2029 0.3255 ( 4536 PWs) bands (ev): -41.5540 -41.5540 -18.2666 -18.2666 -17.6170 -17.6170 -17.6109 -17.6109 -6.2866 -6.2866 -6.2837 -6.2837 -5.2732 -5.2732 -5.2564 -5.2564 -5.2464 -5.2464 6.8489 6.8489 9.4893 9.4893 11.6438 11.6438 12.0189 12.0189 13.3824 13.3824 13.6122 13.6122 13.6671 13.6671 14.0636 14.0636 14.1508 14.1508 14.4253 14.4253 14.4881 14.4881 14.6472 14.6472 16.1340 16.1340 16.1911 16.1911 17.0715 17.0715 17.1151 17.1151 k = 0.5000 0.2107 0.3145 ( 4534 PWs) bands (ev): -41.5540 -41.5540 -18.2666 -18.2666 -17.6171 -17.6171 -17.6108 -17.6108 -6.2866 -6.2866 -6.2837 -6.2837 -5.2732 -5.2732 -5.2564 -5.2564 -5.2462 -5.2462 6.8359 6.8359 9.4581 9.4581 11.6858 11.6858 12.0080 12.0080 13.4130 13.4130 13.6147 13.6147 13.6647 13.6647 14.0455 14.0455 14.1330 14.1330 14.4351 14.4351 14.4957 14.4957 14.6346 14.6346 16.1456 16.1456 16.1962 16.1962 17.0893 17.0893 17.1342 17.1342 k = 0.5000 0.2185 0.3034 ( 4538 PWs) bands (ev): -41.5540 -41.5540 -18.2666 -18.2666 -17.6171 -17.6171 -17.6107 -17.6107 -6.2866 -6.2866 -6.2836 -6.2836 -5.2733 -5.2733 -5.2565 -5.2565 -5.2460 -5.2460 6.8241 6.8241 9.4295 9.4295 11.7243 11.7243 11.9984 11.9984 13.4429 13.4429 13.6174 13.6174 13.6627 13.6627 14.0285 14.0285 14.1140 14.1140 14.4441 14.4441 14.5032 14.5032 14.6228 14.6228 16.1569 16.1569 16.2003 16.2003 17.1072 17.1072 17.1515 17.1515 k = 0.5000 0.2263 0.2924 ( 4540 PWs) bands (ev): -41.5540 -41.5540 -18.2666 -18.2666 -17.6172 -17.6172 -17.6106 -17.6106 -6.2866 -6.2866 -6.2836 -6.2836 -5.2733 -5.2733 -5.2565 -5.2565 -5.2458 -5.2458 6.8134 6.8134 9.4039 9.4039 11.7587 11.7587 11.9905 11.9905 13.4720 13.4720 13.6205 13.6205 13.6611 13.6611 14.0125 14.0125 14.0941 14.0941 14.4520 14.4520 14.5103 14.5103 14.6120 14.6120 16.1676 16.1676 16.2037 16.2037 17.1249 17.1249 17.1668 17.1668 k = 0.5000 0.2341 0.2814 ( 4538 PWs) bands (ev): -41.5540 -41.5540 -18.2666 -18.2666 -17.6172 -17.6172 -17.6105 -17.6105 -6.2866 -6.2866 -6.2835 -6.2835 -5.2734 -5.2734 -5.2565 -5.2565 -5.2456 -5.2456 6.8038 6.8038 9.3810 9.3810 11.7885 11.7885 11.9846 11.9846 13.4996 13.4996 13.6241 13.6241 13.6599 13.6599 13.9975 13.9975 14.0739 14.0739 14.4584 14.4584 14.5171 14.5171 14.6026 14.6026 16.1775 16.1775 16.2064 16.2064 17.1421 17.1421 17.1797 17.1797 k = 0.5000 0.2419 0.2703 ( 4542 PWs) bands (ev): -41.5540 -41.5540 -18.2665 -18.2665 -17.6172 -17.6172 -17.6105 -17.6105 -6.2866 -6.2866 -6.2835 -6.2835 -5.2734 -5.2734 -5.2566 -5.2566 -5.2455 -5.2455 6.7955 6.7955 9.3612 9.3612 11.8132 11.8132 11.9811 11.9811 13.5250 13.5250 13.6284 13.6284 13.6593 13.6593 13.9836 13.9836 14.0540 14.0540 14.4633 14.4633 14.5234 14.5234 14.5947 14.5947 16.1864 16.1864 16.2086 16.2086 17.1584 17.1584 17.1901 17.1901 k = 0.5000 0.2497 0.2593 ( 4540 PWs) bands (ev): -41.5540 -41.5540 -18.2665 -18.2665 -17.6173 -17.6173 -17.6104 -17.6104 -6.2867 -6.2867 -6.2834 -6.2834 -5.2734 -5.2734 -5.2566 -5.2566 -5.2454 -5.2454 6.7884 6.7884 9.3443 9.3443 11.8325 11.8325 11.9800 11.9800 13.5472 13.5472 13.6338 13.6338 13.6593 13.6593 13.9706 13.9706 14.0353 14.0353 14.4668 14.4668 14.5290 14.5290 14.5885 14.5885 16.1942 16.1942 16.2102 16.2102 17.1734 17.1734 17.1981 17.1981 k = 0.5000 0.2575 0.2483 ( 4538 PWs) bands (ev): -41.5540 -41.5540 -18.2665 -18.2665 -17.6173 -17.6173 -17.6103 -17.6103 -6.2867 -6.2867 -6.2834 -6.2834 -5.2735 -5.2735 -5.2566 -5.2566 -5.2453 -5.2453 6.7825 6.7825 9.3304 9.3304 11.8464 11.8464 11.9812 11.9812 13.5651 13.5651 13.6405 13.6405 13.6600 13.6600 13.9585 13.9585 14.0186 14.0186 14.4689 14.4689 14.5337 14.5337 14.5838 14.5838 16.2008 16.2008 16.2115 16.2115 17.1866 17.1866 17.2040 17.2040 k = 0.5000 0.2653 0.2372 ( 4542 PWs) bands (ev): -41.5540 -41.5540 -18.2665 -18.2665 -17.6173 -17.6173 -17.6103 -17.6103 -6.2867 -6.2867 -6.2834 -6.2834 -5.2735 -5.2735 -5.2566 -5.2566 -5.2452 -5.2452 6.7779 6.7779 9.3196 9.3196 11.8557 11.8557 11.9837 11.9837 13.5779 13.5779 13.6477 13.6477 13.6620 13.6620 13.9475 13.9475 14.0049 14.0049 14.4700 14.4700 14.5376 14.5376 14.5805 14.5805 16.2058 16.2058 16.2125 16.2125 17.1974 17.1974 17.2082 17.2082 k = 0.5000 0.2731 0.2262 ( 4542 PWs) bands (ev): -41.5540 -41.5540 -18.2665 -18.2665 -17.6173 -17.6173 -17.6103 -17.6103 -6.2867 -6.2867 -6.2833 -6.2833 -5.2735 -5.2735 -5.2567 -5.2567 -5.2451 -5.2451 6.7747 6.7747 9.3119 9.3119 11.8614 11.8614 11.9867 11.9867 13.5859 13.5859 13.6528 13.6528 13.6662 13.6662 13.9382 13.9382 13.9948 13.9948 14.4705 14.4705 14.5403 14.5403 14.5784 14.5784 16.2092 16.2092 16.2135 16.2135 17.2053 17.2053 17.2110 17.2110 k = 0.5000 0.2809 0.2152 ( 4532 PWs) bands (ev): -41.5540 -41.5540 -18.2665 -18.2665 -17.6173 -17.6173 -17.6103 -17.6103 -6.2867 -6.2867 -6.2833 -6.2833 -5.2735 -5.2735 -5.2567 -5.2567 -5.2451 -5.2451 6.7727 6.7727 9.3072 9.3072 11.8643 11.8643 11.9890 11.9890 13.5901 13.5901 13.6550 13.6550 13.6711 13.6711 13.9319 13.9319 13.9887 13.9887 14.4706 14.4706 14.5420 14.5420 14.5773 14.5773 16.2109 16.2109 16.2145 16.2145 17.2097 17.2097 17.2131 17.2131 k = 0.5000 0.2887 0.2041 ( 4512 PWs) bands (ev): -41.5540 -41.5540 -18.2665 -18.2665 -17.6173 -17.6173 -17.6103 -17.6103 -6.2867 -6.2867 -6.2833 -6.2833 -5.2735 -5.2735 -5.2567 -5.2567 -5.2451 -5.2451 6.7720 6.7720 9.3057 9.3057 11.8652 11.8652 11.9898 11.9898 13.5914 13.5914 13.6555 13.6555 13.6731 13.6731 13.9296 13.9296 13.9867 13.9867 14.4706 14.4706 14.5426 14.5426 14.5769 14.5769 16.2114 16.2114 16.2149 16.2149 17.2110 17.2110 17.2141 17.2141 k = 0.5000 0.2887 0.2041 ( 4512 PWs) bands (ev): -41.5540 -41.5540 -18.2665 -18.2665 -17.6173 -17.6173 -17.6103 -17.6103 -6.2867 -6.2867 -6.2833 -6.2833 -5.2735 -5.2735 -5.2567 -5.2567 -5.2451 -5.2451 6.7720 6.7720 9.3057 9.3057 11.8652 11.8652 11.9898 11.9898 13.5914 13.5914 13.6555 13.6555 13.6731 13.6731 13.9296 13.9296 13.9867 13.9867 14.4706 14.4706 14.5426 14.5426 14.5769 14.5769 16.2114 16.2114 16.2149 16.2149 17.2110 17.2110 17.2141 17.2141 k = 0.4961 0.2864 0.2169 ( 4534 PWs) bands (ev): -41.5540 -41.5540 -18.2665 -18.2665 -17.6173 -17.6173 -17.6103 -17.6103 -6.2867 -6.2867 -6.2833 -6.2833 -5.2735 -5.2735 -5.2567 -5.2567 -5.2451 -5.2451 6.7727 6.7727 9.3072 9.3072 11.8643 11.8643 11.9890 11.9890 13.5901 13.5901 13.6550 13.6550 13.6711 13.6711 13.9319 13.9319 13.9887 13.9887 14.4706 14.4706 14.5420 14.5420 14.5773 14.5773 16.2109 16.2109 16.2145 16.2145 17.2097 17.2097 17.2131 17.2131 k = 0.4922 0.2842 0.2296 ( 4540 PWs) bands (ev): -41.5540 -41.5540 -18.2665 -18.2665 -17.6173 -17.6173 -17.6103 -17.6103 -6.2867 -6.2867 -6.2833 -6.2833 -5.2735 -5.2735 -5.2567 -5.2567 -5.2451 -5.2451 6.7747 6.7747 9.3119 9.3119 11.8614 11.8614 11.9867 11.9867 13.5859 13.5859 13.6527 13.6527 13.6662 13.6662 13.9383 13.9383 13.9948 13.9948 14.4705 14.4705 14.5403 14.5403 14.5784 14.5784 16.2092 16.2092 16.2135 16.2135 17.2052 17.2052 17.2111 17.2111 k = 0.4883 0.2819 0.2424 ( 4542 PWs) bands (ev): -41.5540 -41.5540 -18.2665 -18.2665 -17.6173 -17.6173 -17.6103 -17.6103 -6.2867 -6.2867 -6.2834 -6.2834 -5.2735 -5.2735 -5.2566 -5.2566 -5.2452 -5.2452 6.7780 6.7780 9.3197 9.3197 11.8557 11.8557 11.9837 11.9837 13.5779 13.5779 13.6470 13.6470 13.6626 13.6626 13.9475 13.9475 14.0049 14.0049 14.4700 14.4700 14.5376 14.5376 14.5805 14.5805 16.2058 16.2058 16.2126 16.2126 17.1970 17.1970 17.2086 17.2086 k = 0.4844 0.2797 0.2552 ( 4545 PWs) bands (ev): -41.5540 -41.5540 -18.2665 -18.2665 -17.6173 -17.6173 -17.6103 -17.6103 -6.2867 -6.2867 -6.2834 -6.2834 -5.2735 -5.2735 -5.2566 -5.2566 -5.2453 -5.2453 6.7825 6.7825 9.3305 9.3305 11.8464 11.8464 11.9812 11.9812 13.5653 13.5653 13.6383 13.6383 13.6620 13.6620 13.9584 13.9584 14.0188 14.0188 14.4689 14.4689 14.5337 14.5337 14.5838 14.5838 16.2006 16.2006 16.2116 16.2116 17.1854 17.1854 17.2053 17.2053 k = 0.4805 0.2774 0.2679 ( 4541 PWs) bands (ev): -41.5540 -41.5540 -18.2665 -18.2665 -17.6173 -17.6173 -17.6104 -17.6104 -6.2867 -6.2867 -6.2834 -6.2834 -5.2734 -5.2734 -5.2566 -5.2566 -5.2454 -5.2454 6.7884 6.7884 9.3444 9.3444 11.8323 11.8323 11.9801 11.9801 13.5478 13.5478 13.6290 13.6290 13.6635 13.6635 13.9702 13.9702 14.0356 14.0356 14.4668 14.4668 14.5290 14.5290 14.5884 14.5884 16.1939 16.1939 16.2105 16.2105 17.1708 17.1708 17.2014 17.2014 k = 0.4766 0.2751 0.2807 ( 4543 PWs) bands (ev): -41.5540 -41.5540 -18.2665 -18.2665 -17.6172 -17.6172 -17.6105 -17.6105 -6.2866 -6.2866 -6.2835 -6.2835 -5.2734 -5.2734 -5.2566 -5.2566 -5.2455 -5.2455 6.7956 6.7956 9.3613 9.3613 11.8128 11.8128 11.9814 11.9814 13.5261 13.5261 13.6202 13.6202 13.6668 13.6668 13.9827 13.9827 14.0545 14.0545 14.4633 14.4633 14.5236 14.5236 14.5946 14.5946 16.1858 16.1858 16.2092 16.2092 17.1535 17.1535 17.1967 17.1967 k = 0.4727 0.2729 0.2934 ( 4540 PWs) bands (ev): -41.5540 -41.5540 -18.2666 -18.2666 -17.6172 -17.6172 -17.6105 -17.6105 -6.2866 -6.2866 -6.2835 -6.2835 -5.2734 -5.2734 -5.2565 -5.2565 -5.2456 -5.2456 6.8039 6.8039 9.3812 9.3812 11.7877 11.7877 11.9853 11.9853 13.5011 13.5011 13.6116 13.6116 13.6717 13.6717 13.9959 13.9959 14.0746 14.0746 14.4585 14.4585 14.5175 14.5175 14.6022 14.6022 16.1763 16.1763 16.2076 16.2076 17.1338 17.1338 17.1914 17.1914 k = 0.4688 0.2706 0.3062 ( 4540 PWs) bands (ev): -41.5540 -41.5540 -18.2666 -18.2666 -17.6172 -17.6172 -17.6106 -17.6106 -6.2866 -6.2866 -6.2836 -6.2836 -5.2733 -5.2733 -5.2565 -5.2565 -5.2458 -5.2458 6.8135 6.8135 9.4041 9.4041 11.7574 11.7574 11.9917 11.9917 13.4739 13.4739 13.6032 13.6032 13.6780 13.6780 14.0096 14.0096 14.0951 14.0951 14.4524 14.4524 14.5109 14.5109 14.6113 14.6113 16.1657 16.1657 16.2056 16.2056 17.1121 17.1121 17.1856 17.1856 k = 0.4648 0.2684 0.3189 ( 4534 PWs) bands (ev): -41.5540 -41.5540 -18.2666 -18.2666 -17.6171 -17.6171 -17.6107 -17.6107 -6.2866 -6.2866 -6.2836 -6.2836 -5.2733 -5.2733 -5.2565 -5.2565 -5.2460 -5.2460 6.8242 6.8242 9.4299 9.4299 11.7222 11.7222 12.0004 12.0004 13.4450 13.4450 13.5948 13.5948 13.6858 13.6858 14.0239 14.0239 14.1153 14.1153 14.4451 14.4451 14.5039 14.5039 14.6216 14.6216 16.1541 16.1541 16.2033 16.2033 17.0884 17.0884 17.1794 17.1794 k = 0.4609 0.2661 0.3317 ( 4533 PWs) bands (ev): -41.5540 -41.5540 -18.2666 -18.2666 -17.6171 -17.6171 -17.6108 -17.6108 -6.2866 -6.2866 -6.2837 -6.2837 -5.2732 -5.2732 -5.2564 -5.2564 -5.2462 -5.2462 6.8361 6.8361 9.4585 9.4585 11.6827 11.6827 12.0112 12.0112 13.4151 13.4151 13.5864 13.5864 13.6949 13.6949 14.0387 14.0387 14.1344 14.1344 14.4371 14.4371 14.4966 14.4966 14.6328 14.6328 16.1416 16.1416 16.2006 16.2006 17.0630 17.0630 17.1729 17.1729 k = 0.4570 0.2639 0.3445 ( 4539 PWs) bands (ev): -41.5540 -41.5540 -18.2666 -18.2666 -17.6170 -17.6170 -17.6109 -17.6109 -6.2866 -6.2866 -6.2837 -6.2837 -5.2732 -5.2732 -5.2564 -5.2564 -5.2464 -5.2464 6.8490 6.8490 9.4898 9.4898 11.6393 11.6393 12.0237 12.0237 13.3843 13.3843 13.5780 13.5780 13.7051 13.7051 14.0540 14.0540 14.1520 14.1520 14.4288 14.4288 14.4891 14.4891 14.6445 14.6445 16.1284 16.1284 16.1975 16.1975 17.0360 17.0360 17.1663 17.1663 k = 0.4531 0.2616 0.3572 ( 4541 PWs) bands (ev): -41.5540 -41.5540 -18.2667 -18.2667 -17.6170 -17.6170 -17.6110 -17.6110 -6.2866 -6.2866 -6.2838 -6.2838 -5.2731 -5.2731 -5.2563 -5.2563 -5.2466 -5.2466 6.8630 6.8630 9.5238 9.5238 11.5924 11.5924 12.0379 12.0379 13.3529 13.3529 13.5698 13.5698 13.7163 13.7163 14.0696 14.0696 14.1675 14.1675 14.4209 14.4209 14.4816 14.4816 14.6566 14.6566 16.1147 16.1147 16.1938 16.1938 17.0073 17.0073 17.1597 17.1597 k = 0.4492 0.2594 0.3700 ( 4540 PWs) bands (ev): -41.5540 -41.5540 -18.2667 -18.2667 -17.6169 -17.6169 -17.6111 -17.6111 -6.2866 -6.2866 -6.2839 -6.2839 -5.2731 -5.2731 -5.2562 -5.2562 -5.2468 -5.2468 6.8778 6.8778 9.5605 9.5605 11.5425 11.5425 12.0535 12.0535 13.3212 13.3212 13.5618 13.5618 13.7284 13.7284 14.0855 14.0855 14.1801 14.1801 14.4136 14.4136 14.4743 14.4743 14.6688 14.6688 16.1008 16.1008 16.1896 16.1896 16.9770 16.9770 17.1532 17.1532 k = 0.4453 0.2571 0.3827 ( 4544 PWs) bands (ev): -41.5539 -41.5539 -18.2667 -18.2667 -17.6168 -17.6168 -17.6112 -17.6112 -6.2865 -6.2865 -6.2840 -6.2840 -5.2730 -5.2730 -5.2562 -5.2562 -5.2470 -5.2470 6.8936 6.8936 9.5996 9.5996 11.4899 11.4899 12.0704 12.0704 13.2893 13.2893 13.5540 13.5540 13.7412 13.7412 14.1013 14.1013 14.1895 14.1895 14.4073 14.4073 14.4677 14.4677 14.6807 14.6807 16.0867 16.0867 16.1848 16.1848 16.9451 16.9451 17.1471 17.1471 k = 0.4414 0.2548 0.3955 ( 4544 PWs) bands (ev): -41.5539 -41.5539 -18.2667 -18.2667 -17.6168 -17.6168 -17.6114 -17.6114 -6.2865 -6.2865 -6.2840 -6.2840 -5.2730 -5.2730 -5.2561 -5.2561 -5.2472 -5.2472 6.9101 6.9101 9.6410 9.6410 11.4351 11.4351 12.0885 12.0885 13.2572 13.2572 13.5466 13.5466 13.7544 13.7544 14.1169 14.1169 14.1955 14.1955 14.4017 14.4017 14.4627 14.4627 14.6922 14.6922 16.0728 16.0728 16.1794 16.1794 16.9116 16.9116 17.1415 17.1415 k = 0.4375 0.2526 0.4082 ( 4550 PWs) bands (ev): -41.5539 -41.5539 -18.2668 -18.2668 -17.6167 -17.6167 -17.6115 -17.6115 -6.2865 -6.2865 -6.2841 -6.2841 -5.2730 -5.2730 -5.2560 -5.2560 -5.2474 -5.2474 6.9274 6.9274 9.6847 9.6847 11.3783 11.3783 12.1078 12.1078 13.2252 13.2252 13.5395 13.5395 13.7678 13.7678 14.1317 14.1317 14.1986 14.1986 14.3961 14.3961 14.4600 14.4600 14.7031 14.7031 16.0592 16.0592 16.1733 16.1733 16.8765 16.8765 17.1365 17.1365 k = 0.4336 0.2503 0.4210 ( 4547 PWs) bands (ev): -41.5539 -41.5539 -18.2668 -18.2668 -17.6167 -17.6167 -17.6116 -17.6116 -6.2865 -6.2865 -6.2842 -6.2842 -5.2730 -5.2730 -5.2560 -5.2560 -5.2477 -5.2477 6.9452 6.9452 9.7304 9.7304 11.3201 11.3201 12.1280 12.1280 13.1933 13.1933 13.5328 13.5328 13.7811 13.7811 14.1446 14.1446 14.2002 14.2002 14.3896 14.3896 14.4606 14.4606 14.7133 14.7133 16.0461 16.0461 16.1666 16.1666 16.8401 16.8401 17.1324 17.1324 k = 0.4297 0.2481 0.4338 ( 4549 PWs) bands (ev): -41.5539 -41.5539 -18.2668 -18.2668 -17.6166 -17.6166 -17.6117 -17.6117 -6.2865 -6.2865 -6.2843 -6.2843 -5.2729 -5.2729 -5.2559 -5.2559 -5.2479 -5.2479 6.9634 6.9634 9.7779 9.7779 11.2607 11.2607 12.1491 12.1491 13.1616 13.1616 13.5266 13.5266 13.7940 13.7940 14.1535 14.1535 14.2030 14.2030 14.3816 14.3816 14.4644 14.4644 14.7227 14.7227 16.0337 16.0337 16.1592 16.1592 16.8024 16.8024 17.1292 17.1292 k = 0.4258 0.2458 0.4465 ( 4551 PWs) bands (ev): -41.5539 -41.5539 -18.2668 -18.2668 -17.6166 -17.6166 -17.6119 -17.6119 -6.2865 -6.2865 -6.2844 -6.2844 -5.2729 -5.2729 -5.2558 -5.2558 -5.2481 -5.2481 6.9820 6.9820 9.8270 9.8270 11.2008 11.2008 12.1710 12.1710 13.1304 13.1304 13.5209 13.5209 13.8061 13.8061 14.1562 14.1562 14.2098 14.2098 14.3722 14.3722 14.4710 14.4710 14.7313 14.7313 16.0220 16.0220 16.1510 16.1510 16.7639 16.7639 17.1270 17.1270 k = 0.4219 0.2436 0.4593 ( 4551 PWs) bands (ev): -41.5539 -41.5539 -18.2669 -18.2669 -17.6165 -17.6165 -17.6120 -17.6120 -6.2865 -6.2865 -6.2844 -6.2844 -5.2729 -5.2729 -5.2558 -5.2558 -5.2483 -5.2483 7.0008 7.0008 9.8774 9.8774 11.1407 11.1407 12.1936 12.1936 13.0997 13.0997 13.5158 13.5158 13.8169 13.8169 14.1533 14.1533 14.2207 14.2207 14.3618 14.3618 14.4794 14.4794 14.7390 14.7390 16.0111 16.0111 16.1422 16.1422 16.7248 16.7248 17.1261 17.1261 k = 0.4180 0.2413 0.4720 ( 4547 PWs) bands (ev): -41.5539 -41.5539 -18.2669 -18.2669 -17.6165 -17.6165 -17.6121 -17.6121 -6.2865 -6.2865 -6.2845 -6.2845 -5.2729 -5.2729 -5.2557 -5.2557 -5.2484 -5.2484 7.0196 7.0196 9.9287 9.9287 11.0810 11.0810 12.2168 12.2168 13.0697 13.0697 13.5111 13.5111 13.8261 13.8261 14.1475 14.1475 14.2334 14.2334 14.3512 14.3512 14.4889 14.4889 14.7460 14.7460 16.0011 16.0011 16.1326 16.1326 16.6856 16.6856 17.1265 17.1265 k = 0.4141 0.2391 0.4848 ( 4543 PWs) bands (ev): -41.5539 -41.5539 -18.2669 -18.2669 -17.6164 -17.6164 -17.6122 -17.6122 -6.2865 -6.2865 -6.2846 -6.2846 -5.2729 -5.2729 -5.2557 -5.2557 -5.2486 -5.2486 7.0382 7.0382 9.9804 9.9804 11.0226 11.0226 12.2405 12.2405 13.0405 13.0405 13.5071 13.5071 13.8333 13.8333 14.1405 14.1405 14.2460 14.2460 14.3412 14.3412 14.4988 14.4988 14.7525 14.7525 15.9921 15.9921 16.1224 16.1224 16.6469 16.6469 17.1283 17.1283 k = 0.4102 0.2368 0.4976 ( 4539 PWs) bands (ev): -41.5539 -41.5539 -18.2669 -18.2669 -17.6164 -17.6164 -17.6123 -17.6123 -6.2866 -6.2866 -6.2846 -6.2846 -5.2730 -5.2730 -5.2556 -5.2556 -5.2487 -5.2487 7.0565 7.0565 10.0316 10.0316 10.9662 10.9662 12.2646 12.2646 13.0123 13.0123 13.5036 13.5036 13.8379 13.8379 14.1334 14.1334 14.2563 14.2563 14.3334 14.3334 14.5087 14.5087 14.7586 14.7586 15.9840 15.9840 16.1115 16.1115 16.6092 16.6092 17.1316 17.1316 k = 0.4062 0.2345 0.5103 ( 4542 PWs) bands (ev): -41.5539 -41.5539 -18.2670 -18.2670 -17.6163 -17.6163 -17.6124 -17.6124 -6.2866 -6.2866 -6.2847 -6.2847 -5.2730 -5.2730 -5.2556 -5.2556 -5.2489 -5.2489 7.0742 7.0742 10.0815 10.0815 10.9130 10.9130 12.2890 12.2890 12.9854 12.9854 13.5007 13.5007 13.8399 13.8399 14.1269 14.1269 14.2615 14.2615 14.3304 14.3304 14.5182 14.5182 14.7645 14.7645 15.9769 15.9769 16.1000 16.1000 16.5729 16.5729 17.1363 17.1363 k = 0.4023 0.2323 0.5231 ( 4540 PWs) bands (ev): -41.5538 -41.5538 -18.2670 -18.2670 -17.6163 -17.6163 -17.6124 -17.6124 -6.2867 -6.2867 -6.2847 -6.2847 -5.2731 -5.2731 -5.2556 -5.2556 -5.2490 -5.2490 7.0911 7.0911 10.1285 10.1285 10.8648 10.8648 12.3135 12.3135 12.9597 12.9597 13.4983 13.4983 13.8391 13.8391 14.1209 14.1209 14.2596 14.2596 14.3342 14.3342 14.5271 14.5271 14.7706 14.7706 15.9706 15.9706 16.0880 16.0880 16.5386 16.5386 17.1426 17.1426 k = 0.3984 0.2300 0.5358 ( 4542 PWs) bands (ev): -41.5538 -41.5538 -18.2670 -18.2670 -17.6163 -17.6163 -17.6125 -17.6125 -6.2867 -6.2867 -6.2847 -6.2847 -5.2731 -5.2731 -5.2556 -5.2556 -5.2490 -5.2490 7.1069 7.1069 10.1707 10.1707 10.8239 10.8239 12.3381 12.3381 12.9357 12.9357 13.4965 13.4965 13.8354 13.8354 14.1156 14.1156 14.2519 14.2519 14.3436 14.3436 14.5350 14.5350 14.7772 14.7772 15.9651 15.9651 16.0754 16.0754 16.5067 16.5067 17.1503 17.1503 k = 0.3945 0.2278 0.5486 ( 4546 PWs) bands (ev): -41.5538 -41.5538 -18.2670 -18.2670 -17.6163 -17.6163 -17.6125 -17.6125 -6.2868 -6.2868 -6.2847 -6.2847 -5.2732 -5.2732 -5.2556 -5.2556 -5.2491 -5.2491 7.1214 7.1214 10.2051 10.2051 10.7930 10.7930 12.3627 12.3627 12.9133 12.9133 13.4952 13.4952 13.8291 13.8291 14.1106 14.1106 14.2408 14.2408 14.3560 14.3560 14.5418 14.5418 14.7847 14.7847 15.9605 15.9605 16.0623 16.0623 16.4776 16.4776 17.1593 17.1593 k = 0.3906 0.2255 0.5613 ( 4549 PWs) bands (ev): -41.5538 -41.5538 -18.2670 -18.2670 -17.6163 -17.6163 -17.6126 -17.6126 -6.2869 -6.2869 -6.2847 -6.2847 -5.2733 -5.2733 -5.2556 -5.2556 -5.2491 -5.2491 7.1343 7.1343 10.2287 10.2287 10.7758 10.7758 12.3871 12.3871 12.8929 12.8929 13.4944 13.4944 13.8203 13.8203 14.1057 14.1057 14.2282 14.2282 14.3697 14.3697 14.5474 14.5474 14.7932 14.7932 15.9566 15.9566 16.0489 16.0489 16.4514 16.4514 17.1692 17.1692 k = 0.3867 0.2233 0.5741 ( 4543 PWs) bands (ev): -41.5538 -41.5538 -18.2670 -18.2670 -17.6163 -17.6163 -17.6126 -17.6126 -6.2870 -6.2870 -6.2847 -6.2847 -5.2734 -5.2734 -5.2556 -5.2556 -5.2492 -5.2492 7.1452 7.1452 10.2388 10.2388 10.7750 10.7750 12.4111 12.4111 12.8746 12.8746 13.4940 13.4940 13.8094 13.8094 14.1004 14.1004 14.2150 14.2150 14.3838 14.3838 14.5517 14.5517 14.8031 14.8031 15.9536 15.9536 16.0351 16.0351 16.4284 16.4284 17.1789 17.1789 k = 0.3828 0.2210 0.5869 ( 4547 PWs) bands (ev): -41.5538 -41.5538 -18.2670 -18.2670 -17.6163 -17.6163 -17.6126 -17.6126 -6.2871 -6.2871 -6.2847 -6.2847 -5.2735 -5.2735 -5.2556 -5.2556 -5.2492 -5.2492 7.1539 7.1539 10.2351 10.2351 10.7911 10.7911 12.4348 12.4348 12.8585 12.8585 13.4940 13.4940 13.7965 13.7965 14.0947 14.0947 14.2016 14.2016 14.3980 14.3980 14.5548 14.5548 14.8144 14.8144 15.9514 15.9514 16.0210 16.0210 16.4086 16.4086 17.1850 17.1850 k = 0.3789 0.2188 0.5996 ( 4536 PWs) bands (ev): -41.5538 -41.5538 -18.2670 -18.2670 -17.6164 -17.6164 -17.6125 -17.6125 -6.2872 -6.2872 -6.2847 -6.2847 -5.2736 -5.2736 -5.2556 -5.2556 -5.2492 -5.2492 7.1600 7.1600 10.2199 10.2199 10.8222 10.8222 12.4579 12.4579 12.8449 12.8449 13.4943 13.4943 13.7819 13.7819 14.0883 14.0883 14.1884 14.1884 14.4119 14.4119 14.5566 14.5566 14.8271 14.8271 15.9499 15.9499 16.0068 16.0068 16.3919 16.3919 17.1759 17.1759 k = 0.3750 0.2165 0.6124 ( 4538 PWs) bands (ev): -41.5538 -41.5538 -18.2670 -18.2670 -17.6164 -17.6164 -17.6125 -17.6125 -6.2874 -6.2874 -6.2847 -6.2847 -5.2737 -5.2737 -5.2557 -5.2557 -5.2492 -5.2492 7.1632 7.1632 10.1967 10.1967 10.8649 10.8649 12.4804 12.4804 12.8338 12.8338 13.4948 13.4948 13.7657 13.7657 14.0813 14.0813 14.1756 14.1756 14.4254 14.4254 14.5572 14.5572 14.8412 14.8412 15.9490 15.9490 15.9927 15.9927 16.3780 16.3780 17.1377 17.1377 k = 0.6250-0.0722 0.4082 ( 4538 PWs) bands (ev): -41.5538 -41.5538 -18.2670 -18.2670 -17.6164 -17.6164 -17.6125 -17.6125 -6.2874 -6.2874 -6.2847 -6.2847 -5.2737 -5.2737 -5.2557 -5.2557 -5.2492 -5.2492 7.1632 7.1632 10.1967 10.1967 10.8649 10.8649 12.4804 12.4804 12.8338 12.8338 13.4948 13.4948 13.7657 13.7657 14.0813 14.0813 14.1756 14.1756 14.4254 14.4254 14.5572 14.5572 14.8412 14.8412 15.9490 15.9490 15.9927 15.9927 16.3780 16.3780 17.1377 17.1377 k = 0.6184-0.0836 0.4082 ( 4534 PWs) bands (ev): -41.5538 -41.5538 -18.2670 -18.2670 -17.6165 -17.6165 -17.6124 -17.6124 -6.2876 -6.2876 -6.2846 -6.2846 -5.2739 -5.2739 -5.2557 -5.2557 -5.2492 -5.2492 7.1649 7.1649 10.1539 10.1539 10.9467 10.9467 12.5178 12.5178 12.8177 12.8177 13.4961 13.4961 13.7362 13.7362 14.0686 14.0686 14.1547 14.1547 14.4473 14.4473 14.5581 14.5581 14.8659 14.8659 15.9457 15.9457 15.9713 15.9713 16.3580 16.3580 17.0553 17.0553 k = 0.6118-0.0950 0.4082 ( 4546 PWs) bands (ev): -41.5538 -41.5538 -18.2670 -18.2670 -17.6165 -17.6165 -17.6124 -17.6124 -6.2878 -6.2878 -6.2845 -6.2845 -5.2741 -5.2741 -5.2558 -5.2558 -5.2491 -5.2491 7.1647 7.1647 10.1130 10.1130 11.0320 11.0320 12.5552 12.5552 12.8021 12.8021 13.4980 13.4980 13.7046 13.7046 14.0554 14.0554 14.1341 14.1341 14.4685 14.4685 14.5604 14.5604 14.8901 14.8901 15.9321 15.9321 15.9600 15.9600 16.3396 16.3396 16.9753 16.9753 k = 0.6053-0.1064 0.4082 ( 4542 PWs) bands (ev): -41.5538 -41.5538 -18.2670 -18.2670 -17.6166 -17.6166 -17.6123 -17.6123 -6.2880 -6.2880 -6.2845 -6.2845 -5.2743 -5.2743 -5.2559 -5.2559 -5.2491 -5.2491 7.1629 7.1629 10.0743 10.0743 11.1200 11.1200 12.5925 12.5925 12.7871 12.7871 13.5005 13.5005 13.6709 13.6709 14.0419 14.0419 14.1140 14.1140 14.4887 14.4887 14.5642 14.5642 14.9134 14.9134 15.9101 15.9101 15.9571 15.9571 16.3226 16.3226 16.8982 16.8982 k = 0.5987-0.1177 0.4082 ( 4542 PWs) bands (ev): -41.5538 -41.5538 -18.2670 -18.2670 -17.6166 -17.6166 -17.6122 -17.6122 -6.2882 -6.2882 -6.2844 -6.2844 -5.2745 -5.2745 -5.2559 -5.2559 -5.2491 -5.2491 7.1598 7.1598 10.0377 10.0377 11.2101 11.2101 12.6294 12.6294 12.7731 12.7731 13.5036 13.5036 13.6349 13.6349 14.0283 14.0283 14.0943 14.0943 14.5078 14.5078 14.5698 14.5698 14.9358 14.9358 15.8860 15.8860 15.9560 15.9560 16.3070 16.3070 16.8243 16.8243 k = 0.5921-0.1291 0.4082 ( 4548 PWs) bands (ev): -41.5538 -41.5538 -18.2670 -18.2670 -17.6167 -17.6167 -17.6121 -17.6121 -6.2885 -6.2885 -6.2844 -6.2844 -5.2747 -5.2747 -5.2560 -5.2560 -5.2490 -5.2490 7.1557 7.1557 10.0034 10.0034 11.3018 11.3018 12.6653 12.6653 12.7601 12.7601 13.5071 13.5071 13.5968 13.5968 14.0148 14.0148 14.0753 14.0753 14.5256 14.5256 14.5773 14.5773 14.9571 14.9571 15.8616 15.8616 15.9554 15.9554 16.2925 16.2925 16.7540 16.7540 k = 0.5855-0.1405 0.4082 ( 4550 PWs) bands (ev): -41.5538 -41.5538 -18.2670 -18.2670 -17.6168 -17.6168 -17.6120 -17.6120 -6.2887 -6.2887 -6.2844 -6.2844 -5.2750 -5.2750 -5.2561 -5.2561 -5.2490 -5.2490 7.1509 7.1509 9.9713 9.9713 11.3943 11.3943 12.6992 12.6992 12.7494 12.7494 13.5110 13.5110 13.5567 13.5567 14.0016 14.0016 14.0568 14.0568 14.5418 14.5418 14.5869 14.5869 14.9771 14.9771 15.8372 15.8372 15.9549 15.9549 16.2790 16.2790 16.6875 16.6875 k = 0.5789-0.1519 0.4082 ( 4546 PWs) bands (ev): -41.5538 -41.5538 -18.2670 -18.2670 -17.6168 -17.6168 -17.6119 -17.6119 -6.2889 -6.2889 -6.2843 -6.2843 -5.2752 -5.2752 -5.2562 -5.2562 -5.2489 -5.2489 7.1455 7.1455 9.9415 9.9415 11.4871 11.4871 12.7223 12.7223 12.7494 12.7494 13.5103 13.5103 13.5196 13.5196 13.9888 13.9888 14.0392 14.0392 14.5565 14.5565 14.5984 14.5984 14.9957 14.9957 15.8129 15.8129 15.9544 15.9544 16.2664 16.2664 16.6251 16.6251 k = 0.5724-0.1633 0.4082 ( 4550 PWs) bands (ev): -41.5538 -41.5538 -18.2670 -18.2670 -17.6169 -17.6169 -17.6118 -17.6118 -6.2891 -6.2891 -6.2843 -6.2843 -5.2754 -5.2754 -5.2563 -5.2563 -5.2489 -5.2489 7.1398 7.1398 9.9140 9.9140 11.5795 11.5795 12.7199 12.7199 12.7747 12.7747 13.4695 13.4695 13.5211 13.5211 13.9765 13.9765 14.0224 14.0224 14.5699 14.5699 14.6112 14.6112 15.0129 15.0129 15.7890 15.7890 15.9539 15.9539 16.2545 16.2545 16.5670 16.5670 k = 0.5658-0.1747 0.4082 ( 4554 PWs) bands (ev): -41.5538 -41.5538 -18.2669 -18.2669 -17.6169 -17.6169 -17.6117 -17.6117 -6.2893 -6.2893 -6.2843 -6.2843 -5.2756 -5.2756 -5.2564 -5.2564 -5.2488 -5.2488 7.1340 7.1340 9.8889 9.8889 11.6708 11.6708 12.7123 12.7123 12.8046 12.8046 13.4240 13.4240 13.5259 13.5259 13.9647 13.9647 14.0066 14.0066 14.5824 14.5824 14.6248 14.6248 15.0286 15.0286 15.7655 15.7655 15.9535 15.9535 16.2434 16.2434 16.5136 16.5136 k = 0.5592-0.1861 0.4082 ( 4548 PWs) bands (ev): -41.5538 -41.5538 -18.2669 -18.2669 -17.6170 -17.6170 -17.6116 -17.6116 -6.2894 -6.2894 -6.2842 -6.2842 -5.2758 -5.2758 -5.2565 -5.2565 -5.2488 -5.2488 7.1283 7.1283 9.8661 9.8661 11.7602 11.7602 12.7052 12.7052 12.8332 12.8332 13.3771 13.3771 13.5310 13.5310 13.9535 13.9535 13.9920 13.9920 14.5941 14.5941 14.6386 14.6386 15.0428 15.0428 15.7428 15.7428 15.9532 15.9532 16.2330 16.2330 16.4650 16.4650 k = 0.5526-0.1975 0.4082 ( 4556 PWs) bands (ev): -41.5538 -41.5538 -18.2669 -18.2669 -17.6170 -17.6170 -17.6116 -17.6116 -6.2896 -6.2896 -6.2842 -6.2842 -5.2760 -5.2760 -5.2565 -5.2565 -5.2487 -5.2487 7.1228 7.1228 9.8456 9.8456 11.8470 11.8470 12.6997 12.6997 12.8592 12.8592 13.3294 13.3294 13.5361 13.5361 13.9430 13.9430 13.9786 13.9786 14.6053 14.6053 14.6520 14.6520 15.0555 15.0555 15.7211 15.7211 15.9528 15.9528 16.2233 16.2233 16.4213 16.4213 k = 0.5461-0.2089 0.4082 ( 4548 PWs) bands (ev): -41.5538 -41.5538 -18.2669 -18.2669 -17.6171 -17.6171 -17.6115 -17.6115 -6.2897 -6.2897 -6.2842 -6.2842 -5.2762 -5.2762 -5.2566 -5.2566 -5.2486 -5.2486 7.1176 7.1176 9.8276 9.8276 11.9301 11.9301 12.6961 12.6961 12.8819 12.8819 13.2816 13.2816 13.5412 13.5412 13.9332 13.9332 13.9667 13.9667 14.6157 14.6157 14.6647 14.6647 15.0667 15.0667 15.7006 15.7006 15.9526 15.9526 16.2144 16.2144 16.3827 16.3827 k = 0.5395-0.2203 0.4082 ( 4540 PWs) bands (ev): -41.5538 -41.5538 -18.2669 -18.2669 -17.6171 -17.6171 -17.6114 -17.6114 -6.2899 -6.2899 -6.2842 -6.2842 -5.2763 -5.2763 -5.2567 -5.2567 -5.2486 -5.2486 7.1129 7.1129 9.8119 9.8119 12.0083 12.0083 12.6950 12.6950 12.9000 12.9000 13.2349 13.2349 13.5460 13.5460 13.9242 13.9242 13.9563 13.9563 14.6254 14.6254 14.6764 14.6764 15.0764 15.0764 15.6818 15.6818 15.9523 15.9523 16.2063 16.2063 16.3493 16.3493 k = 0.5329-0.2317 0.4082 ( 4536 PWs) bands (ev): -41.5538 -41.5538 -18.2669 -18.2669 -17.6172 -17.6172 -17.6113 -17.6113 -6.2900 -6.2900 -6.2842 -6.2842 -5.2765 -5.2765 -5.2567 -5.2567 -5.2486 -5.2486 7.1088 7.1088 9.7986 9.7986 12.0801 12.0801 12.6968 12.6968 12.9124 12.9124 13.1911 13.1911 13.5505 13.5505 13.9161 13.9161 13.9475 13.9475 14.6340 14.6340 14.6868 14.6868 15.0846 15.0846 15.6650 15.6650 15.9522 15.9522 16.1991 16.1991 16.3211 16.3211 k = 0.5263-0.2431 0.4082 ( 4540 PWs) bands (ev): -41.5538 -41.5538 -18.2669 -18.2669 -17.6172 -17.6172 -17.6113 -17.6113 -6.2901 -6.2901 -6.2841 -6.2841 -5.2766 -5.2766 -5.2568 -5.2568 -5.2485 -5.2485 7.1053 7.1053 9.7878 9.7878 12.1437 12.1437 12.7023 12.7023 12.9171 12.9171 13.1526 13.1526 13.5544 13.5544 13.9091 13.9091 13.9404 13.9404 14.6413 14.6413 14.6958 14.6958 15.0912 15.0912 15.6505 15.6505 15.9521 15.9521 16.1930 16.1930 16.2981 16.2981 k = 0.5197-0.2545 0.4082 ( 4544 PWs) bands (ev): -41.5538 -41.5538 -18.2669 -18.2669 -17.6172 -17.6172 -17.6113 -17.6113 -6.2901 -6.2901 -6.2841 -6.2841 -5.2767 -5.2767 -5.2568 -5.2568 -5.2485 -5.2485 7.1025 7.1025 9.7793 9.7793 12.1968 12.1968 12.7116 12.7116 12.9127 12.9127 13.1226 13.1226 13.5577 13.5577 13.9034 13.9034 13.9349 13.9349 14.6473 14.6473 14.7030 14.7030 15.0964 15.0964 15.6388 15.6388 15.9520 15.9520 16.1881 16.1881 16.2803 16.2803 k = 0.5132-0.2659 0.4082 ( 4544 PWs) bands (ev): -41.5538 -41.5538 -18.2669 -18.2669 -17.6172 -17.6172 -17.6112 -17.6112 -6.2902 -6.2902 -6.2841 -6.2841 -5.2767 -5.2767 -5.2569 -5.2569 -5.2485 -5.2485 7.1005 7.1005 9.7733 9.7733 12.2369 12.2369 12.7241 12.7241 12.9000 12.9000 13.1029 13.1029 13.5601 13.5601 13.8991 13.8991 13.9311 13.9311 14.6516 14.6516 14.7084 14.7084 15.1001 15.1001 15.6302 15.6302 15.9519 15.9519 16.1844 16.1844 16.2676 16.2676 k = 0.5066-0.2773 0.4082 ( 4556 PWs) bands (ev): -41.5538 -41.5538 -18.2669 -18.2669 -17.6172 -17.6172 -17.6112 -17.6112 -6.2902 -6.2902 -6.2841 -6.2841 -5.2768 -5.2768 -5.2569 -5.2569 -5.2485 -5.2485 7.0993 7.0993 9.7697 9.7697 12.2620 12.2620 12.7365 12.7365 12.8850 12.8850 13.0926 13.0926 13.5616 13.5616 13.8965 13.8965 13.9288 13.9288 14.6543 14.6543 14.7117 14.7117 15.1023 15.1023 15.6250 15.6250 15.9519 15.9519 16.1822 16.1822 16.2600 16.2600 k = 0.5000-0.2887 0.4082 ( 4568 PWs) bands (ev): -41.5538 -41.5538 -18.2669 -18.2669 -17.6172 -17.6172 -17.6112 -17.6112 -6.2902 -6.2902 -6.2841 -6.2841 -5.2768 -5.2768 -5.2569 -5.2569 -5.2485 -5.2485 7.0989 7.0989 9.7685 9.7685 12.2706 12.2706 12.7422 12.7422 12.8780 12.8780 13.0896 13.0896 13.5621 13.5621 13.8956 13.8956 13.9280 13.9280 14.6552 14.6552 14.7128 14.7128 15.1030 15.1030 15.6232 15.6232 15.9519 15.9519 16.1814 16.1814 16.2575 16.2575 Writing output data file TiFe2Sn.save init_run : 0.19s CPU 0.34s WALL ( 1 calls) electrons : 273.35s CPU 277.15s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 273.34s CPU 277.14s 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 : 0.04s CPU 0.06s WALL ( 346 calls) cegterg : 259.66s CPU 262.86s WALL ( 746 calls) Called by sum_band: Called by *egterg: h_psi : 157.15s CPU 159.60s WALL ( 12327 calls) s_psi : 7.40s CPU 7.14s WALL ( 12327 calls) g_psi : 0.40s CPU 0.44s WALL ( 11235 calls) cdiaghg : 76.29s CPU 77.40s WALL ( 11581 calls) cegterg:over : 10.13s CPU 10.10s WALL ( 11235 calls) cegterg:upda : 8.74s CPU 8.83s WALL ( 11235 calls) cegterg:last : 5.40s CPU 5.25s WALL ( 2187 calls) cdiaghg:chol : 4.17s CPU 4.33s WALL ( 11581 calls) cdiaghg:inve : 2.92s CPU 2.84s WALL ( 11581 calls) cdiaghg:para : 4.46s CPU 4.52s WALL ( 23162 calls) Called by h_psi: h_psi:vloc : 138.22s CPU 140.35s WALL ( 12327 calls) h_psi:vnl : 18.52s CPU 18.85s WALL ( 12327 calls) add_vuspsi : 9.48s CPU 9.68s WALL ( 12327 calls) General routines calbec : 8.99s CPU 9.14s WALL ( 12327 calls) fft : 0.00s CPU 0.00s WALL ( 15 calls) fftw : 130.47s CPU 132.58s WALL ( 1269840 calls) davcio : 0.21s CPU 0.32s WALL ( 692 calls) Parallel routines fft_scatter : 43.83s CPU 44.74s WALL ( 1269855 calls) PWSCF : 4m50.49s CPU 5m 6.72s WALL This run was terminated on: 18:18:59 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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