Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:34: 2 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: ./MnInNi2.save/ file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file In.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 = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.108293 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 Mn read from file: /users/gautes/Pseudo/Mn.rel-pbe-oncvpsp.UPF MD5 check sum: d838f0974ec4eb0180564ac5264e0bcc Pseudo is Norm-conserving, Zval = 15.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1464 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 PseudoPot. # 2 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 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 In read from file: /users/gautes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1241 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Mn 15.00 54.93800 Mn( 1.00) Ni 10.00 58.69340 Ni( 1.00) In 13.00 114.81800 In( 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 0.23 Mb ( 260, 58) 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 0.92 Mb ( 260, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.24 Mb ( 136, 2, 58) The potential is recalculated from file : ./MnInNi2.save/charge-density.dat Starting wfc are 74 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.6 secs Computing kpt #: 2 total cpu time spent up to now is 3.2 secs Computing kpt #: 3 total cpu time spent up to now is 3.8 secs Computing kpt #: 4 total cpu time spent up to now is 4.5 secs Computing kpt #: 5 total cpu time spent up to now is 5.2 secs Computing kpt #: 6 total cpu time spent up to now is 5.8 secs Computing kpt #: 7 total cpu time spent up to now is 6.4 secs Computing kpt #: 8 total cpu time spent up to now is 6.9 secs Computing kpt #: 9 total cpu time spent up to now is 7.5 secs Computing kpt #: 10 total cpu time spent up to now is 8.0 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 9.1 secs Computing kpt #: 13 total cpu time spent up to now is 9.6 secs Computing kpt #: 14 total cpu time spent up to now is 10.1 secs Computing kpt #: 15 total cpu time spent up to now is 10.6 secs Computing kpt #: 16 total cpu time spent up to now is 11.2 secs Computing kpt #: 17 total cpu time spent up to now is 11.7 secs Computing kpt #: 18 total cpu time spent up to now is 12.2 secs Computing kpt #: 19 total cpu time spent up to now is 12.8 secs Computing kpt #: 20 total cpu time spent up to now is 13.3 secs Computing kpt #: 21 total cpu time spent up to now is 13.9 secs Computing kpt #: 22 total cpu time spent up to now is 14.5 secs Computing kpt #: 23 total cpu time spent up to now is 15.2 secs Computing kpt #: 24 total cpu time spent up to now is 15.8 secs Computing kpt #: 25 total cpu time spent up to now is 16.4 secs Computing kpt #: 26 total cpu time spent up to now is 17.0 secs Computing kpt #: 27 total cpu time spent up to now is 17.7 secs Computing kpt #: 28 total cpu time spent up to now is 18.2 secs Computing kpt #: 29 total cpu time spent up to now is 18.8 secs Computing kpt #: 30 total cpu time spent up to now is 19.3 secs Computing kpt #: 31 total cpu time spent up to now is 19.8 secs Computing kpt #: 32 total cpu time spent up to now is 20.3 secs Computing kpt #: 33 total cpu time spent up to now is 20.8 secs Computing kpt #: 34 total cpu time spent up to now is 21.3 secs Computing kpt #: 35 total cpu time spent up to now is 21.8 secs Computing kpt #: 36 total cpu time spent up to now is 22.4 secs Computing kpt #: 37 total cpu time spent up to now is 22.9 secs Computing kpt #: 38 total cpu time spent up to now is 23.3 secs Computing kpt #: 39 total cpu time spent up to now is 23.8 secs Computing kpt #: 40 total cpu time spent up to now is 24.3 secs Computing kpt #: 41 total cpu time spent up to now is 24.8 secs Computing kpt #: 42 total cpu time spent up to now is 25.3 secs Computing kpt #: 43 total cpu time spent up to now is 25.8 secs Computing kpt #: 44 total cpu time spent up to now is 26.3 secs Computing kpt #: 45 total cpu time spent up to now is 26.8 secs Computing kpt #: 46 total cpu time spent up to now is 27.3 secs Computing kpt #: 47 total cpu time spent up to now is 27.8 secs Computing kpt #: 48 total cpu time spent up to now is 28.3 secs Computing kpt #: 49 total cpu time spent up to now is 28.8 secs Computing kpt #: 50 total cpu time spent up to now is 29.2 secs Computing kpt #: 51 total cpu time spent up to now is 29.7 secs Computing kpt #: 52 total cpu time spent up to now is 30.2 secs Computing kpt #: 53 total cpu time spent up to now is 30.7 secs Computing kpt #: 54 total cpu time spent up to now is 31.2 secs Computing kpt #: 55 total cpu time spent up to now is 31.7 secs Computing kpt #: 56 total cpu time spent up to now is 32.1 secs Computing kpt #: 57 total cpu time spent up to now is 32.6 secs Computing kpt #: 58 total cpu time spent up to now is 33.1 secs Computing kpt #: 59 total cpu time spent up to now is 33.6 secs Computing kpt #: 60 total cpu time spent up to now is 34.1 secs Computing kpt #: 61 total cpu time spent up to now is 34.6 secs Computing kpt #: 62 total cpu time spent up to now is 35.1 secs Computing kpt #: 63 total cpu time spent up to now is 35.6 secs Computing kpt #: 64 total cpu time spent up to now is 36.1 secs Computing kpt #: 65 total cpu time spent up to now is 36.6 secs Computing kpt #: 66 total cpu time spent up to now is 37.1 secs Computing kpt #: 67 total cpu time spent up to now is 37.5 secs Computing kpt #: 68 total cpu time spent up to now is 38.0 secs Computing kpt #: 69 total cpu time spent up to now is 38.5 secs Computing kpt #: 70 total cpu time spent up to now is 39.0 secs Computing kpt #: 71 total cpu time spent up to now is 39.5 secs Computing kpt #: 72 total cpu time spent up to now is 40.1 secs Computing kpt #: 73 total cpu time spent up to now is 40.7 secs Computing kpt #: 74 total cpu time spent up to now is 41.4 secs Computing kpt #: 75 total cpu time spent up to now is 42.0 secs Computing kpt #: 76 total cpu time spent up to now is 42.6 secs Computing kpt #: 77 total cpu time spent up to now is 43.3 secs Computing kpt #: 78 total cpu time spent up to now is 43.9 secs Computing kpt #: 79 total cpu time spent up to now is 44.6 secs Computing kpt #: 80 total cpu time spent up to now is 45.3 secs Computing kpt #: 81 total cpu time spent up to now is 45.9 secs Computing kpt #: 82 total cpu time spent up to now is 46.6 secs Computing kpt #: 83 total cpu time spent up to now is 47.2 secs Computing kpt #: 84 total cpu time spent up to now is 47.8 secs Computing kpt #: 85 total cpu time spent up to now is 48.4 secs Computing kpt #: 86 total cpu time spent up to now is 49.0 secs Computing kpt #: 87 total cpu time spent up to now is 49.5 secs Computing kpt #: 88 total cpu time spent up to now is 50.0 secs Computing kpt #: 89 total cpu time spent up to now is 50.5 secs Computing kpt #: 90 total cpu time spent up to now is 50.9 secs Computing kpt #: 91 total cpu time spent up to now is 51.4 secs Computing kpt #: 92 total cpu time spent up to now is 51.9 secs Computing kpt #: 93 total cpu time spent up to now is 52.3 secs Computing kpt #: 94 total cpu time spent up to now is 52.8 secs Computing kpt #: 95 total cpu time spent up to now is 53.2 secs Computing kpt #: 96 total cpu time spent up to now is 53.7 secs Computing kpt #: 97 total cpu time spent up to now is 54.1 secs Computing kpt #: 98 total cpu time spent up to now is 54.5 secs Computing kpt #: 99 total cpu time spent up to now is 54.9 secs Computing kpt #: 100 total cpu time spent up to now is 55.4 secs Computing kpt #: 101 total cpu time spent up to now is 55.8 secs Computing kpt #: 102 total cpu time spent up to now is 56.2 secs Computing kpt #: 103 total cpu time spent up to now is 56.7 secs Computing kpt #: 104 total cpu time spent up to now is 57.1 secs Computing kpt #: 105 total cpu time spent up to now is 57.5 secs Computing kpt #: 106 total cpu time spent up to now is 58.0 secs Computing kpt #: 107 total cpu time spent up to now is 58.4 secs Computing kpt #: 108 total cpu time spent up to now is 58.8 secs Computing kpt #: 109 total cpu time spent up to now is 59.3 secs Computing kpt #: 110 total cpu time spent up to now is 59.7 secs Computing kpt #: 111 total cpu time spent up to now is 60.1 secs Computing kpt #: 112 total cpu time spent up to now is 60.6 secs Computing kpt #: 113 total cpu time spent up to now is 61.0 secs Computing kpt #: 114 total cpu time spent up to now is 61.5 secs Computing kpt #: 115 total cpu time spent up to now is 61.9 secs Computing kpt #: 116 total cpu time spent up to now is 62.3 secs Computing kpt #: 117 total cpu time spent up to now is 62.8 secs Computing kpt #: 118 total cpu time spent up to now is 63.2 secs Computing kpt #: 119 total cpu time spent up to now is 63.7 secs Computing kpt #: 120 total cpu time spent up to now is 64.2 secs Computing kpt #: 121 total cpu time spent up to now is 64.7 secs Computing kpt #: 122 total cpu time spent up to now is 65.1 secs Computing kpt #: 123 total cpu time spent up to now is 65.6 secs Computing kpt #: 124 total cpu time spent up to now is 66.0 secs Computing kpt #: 125 total cpu time spent up to now is 66.5 secs Computing kpt #: 126 total cpu time spent up to now is 66.9 secs Computing kpt #: 127 total cpu time spent up to now is 67.4 secs Computing kpt #: 128 total cpu time spent up to now is 67.9 secs Computing kpt #: 129 total cpu time spent up to now is 68.4 secs Computing kpt #: 130 total cpu time spent up to now is 68.8 secs Computing kpt #: 131 total cpu time spent up to now is 69.3 secs Computing kpt #: 132 total cpu time spent up to now is 69.8 secs Computing kpt #: 133 total cpu time spent up to now is 70.3 secs Computing kpt #: 134 total cpu time spent up to now is 70.8 secs Computing kpt #: 135 total cpu time spent up to now is 71.4 secs Computing kpt #: 136 total cpu time spent up to now is 71.9 secs Computing kpt #: 137 total cpu time spent up to now is 72.4 secs Computing kpt #: 138 total cpu time spent up to now is 73.0 secs Computing kpt #: 139 total cpu time spent up to now is 73.5 secs Computing kpt #: 140 total cpu time spent up to now is 74.2 secs Computing kpt #: 141 total cpu time spent up to now is 74.8 secs Computing kpt #: 142 total cpu time spent up to now is 75.5 secs Computing kpt #: 143 total cpu time spent up to now is 76.2 secs Computing kpt #: 144 total cpu time spent up to now is 76.8 secs Computing kpt #: 145 total cpu time spent up to now is 77.5 secs Computing kpt #: 146 total cpu time spent up to now is 78.2 secs Computing kpt #: 147 total cpu time spent up to now is 78.8 secs Computing kpt #: 148 total cpu time spent up to now is 79.5 secs Computing kpt #: 149 total cpu time spent up to now is 80.2 secs Computing kpt #: 150 total cpu time spent up to now is 80.9 secs Computing kpt #: 151 total cpu time spent up to now is 81.6 secs Computing kpt #: 152 total cpu time spent up to now is 82.2 secs Computing kpt #: 153 total cpu time spent up to now is 82.8 secs Computing kpt #: 154 total cpu time spent up to now is 83.4 secs Computing kpt #: 155 total cpu time spent up to now is 84.0 secs Computing kpt #: 156 total cpu time spent up to now is 84.5 secs Computing kpt #: 157 total cpu time spent up to now is 85.1 secs Computing kpt #: 158 total cpu time spent up to now is 85.6 secs Computing kpt #: 159 total cpu time spent up to now is 86.3 secs Computing kpt #: 160 total cpu time spent up to now is 86.9 secs Computing kpt #: 161 total cpu time spent up to now is 87.5 secs Computing kpt #: 162 total cpu time spent up to now is 88.1 secs Computing kpt #: 163 total cpu time spent up to now is 88.7 secs Computing kpt #: 164 total cpu time spent up to now is 89.3 secs Computing kpt #: 165 total cpu time spent up to now is 89.8 secs Computing kpt #: 166 total cpu time spent up to now is 90.4 secs Computing kpt #: 167 total cpu time spent up to now is 90.9 secs Computing kpt #: 168 total cpu time spent up to now is 91.5 secs Computing kpt #: 169 total cpu time spent up to now is 92.0 secs Computing kpt #: 170 total cpu time spent up to now is 92.5 secs Computing kpt #: 171 total cpu time spent up to now is 93.1 secs Computing kpt #: 172 total cpu time spent up to now is 93.6 secs Computing kpt #: 173 total cpu time spent up to now is 94.1 secs Computing kpt #: 174 total cpu time spent up to now is 94.7 secs Computing kpt #: 175 total cpu time spent up to now is 95.2 secs Computing kpt #: 176 total cpu time spent up to now is 95.7 secs Computing kpt #: 177 total cpu time spent up to now is 96.2 secs Computing kpt #: 178 total cpu time spent up to now is 96.7 secs Computing kpt #: 179 total cpu time spent up to now is 97.2 secs Computing kpt #: 180 total cpu time spent up to now is 97.8 secs Computing kpt #: 181 total cpu time spent up to now is 98.3 secs Computing kpt #: 182 total cpu time spent up to now is 98.8 secs Computing kpt #: 183 total cpu time spent up to now is 99.3 secs Computing kpt #: 184 total cpu time spent up to now is 99.8 secs Computing kpt #: 185 total cpu time spent up to now is 100.4 secs Computing kpt #: 186 total cpu time spent up to now is 100.9 secs Computing kpt #: 187 total cpu time spent up to now is 101.4 secs Computing kpt #: 188 total cpu time spent up to now is 101.9 secs Computing kpt #: 189 total cpu time spent up to now is 102.5 secs Computing kpt #: 190 total cpu time spent up to now is 103.0 secs Computing kpt #: 191 total cpu time spent up to now is 103.5 secs Computing kpt #: 192 total cpu time spent up to now is 104.0 secs Computing kpt #: 193 total cpu time spent up to now is 104.5 secs Computing kpt #: 194 total cpu time spent up to now is 105.1 secs Computing kpt #: 195 total cpu time spent up to now is 105.6 secs Computing kpt #: 196 total cpu time spent up to now is 106.2 secs Computing kpt #: 197 total cpu time spent up to now is 106.7 secs Computing kpt #: 198 total cpu time spent up to now is 107.2 secs Computing kpt #: 199 total cpu time spent up to now is 107.8 secs Computing kpt #: 200 total cpu time spent up to now is 108.3 secs Computing kpt #: 201 total cpu time spent up to now is 108.9 secs Computing kpt #: 202 total cpu time spent up to now is 109.4 secs Computing kpt #: 203 total cpu time spent up to now is 110.0 secs Computing kpt #: 204 total cpu time spent up to now is 110.5 secs Computing kpt #: 205 total cpu time spent up to now is 111.1 secs Computing kpt #: 206 total cpu time spent up to now is 111.6 secs Computing kpt #: 207 total cpu time spent up to now is 112.2 secs Computing kpt #: 208 total cpu time spent up to now is 112.7 secs Computing kpt #: 209 total cpu time spent up to now is 113.2 secs Computing kpt #: 210 total cpu time spent up to now is 113.7 secs Computing kpt #: 211 total cpu time spent up to now is 114.2 secs Computing kpt #: 212 total cpu time spent up to now is 114.7 secs Computing kpt #: 213 total cpu time spent up to now is 115.2 secs Computing kpt #: 214 total cpu time spent up to now is 115.7 secs Computing kpt #: 215 total cpu time spent up to now is 116.1 secs Computing kpt #: 216 total cpu time spent up to now is 116.6 secs Computing kpt #: 217 total cpu time spent up to now is 117.1 secs Computing kpt #: 218 total cpu time spent up to now is 117.5 secs Computing kpt #: 219 total cpu time spent up to now is 118.0 secs Computing kpt #: 220 total cpu time spent up to now is 118.4 secs Computing kpt #: 221 total cpu time spent up to now is 118.9 secs Computing kpt #: 222 total cpu time spent up to now is 119.3 secs Computing kpt #: 223 total cpu time spent up to now is 119.8 secs Computing kpt #: 224 total cpu time spent up to now is 120.2 secs Computing kpt #: 225 total cpu time spent up to now is 120.6 secs Computing kpt #: 226 total cpu time spent up to now is 121.1 secs Computing kpt #: 227 total cpu time spent up to now is 121.5 secs Computing kpt #: 228 total cpu time spent up to now is 121.9 secs Computing kpt #: 229 total cpu time spent up to now is 122.4 secs Computing kpt #: 230 total cpu time spent up to now is 122.8 secs Computing kpt #: 231 total cpu time spent up to now is 123.2 secs Computing kpt #: 232 total cpu time spent up to now is 123.7 secs Computing kpt #: 233 total cpu time spent up to now is 124.1 secs Computing kpt #: 234 total cpu time spent up to now is 124.5 secs Computing kpt #: 235 total cpu time spent up to now is 124.9 secs Computing kpt #: 236 total cpu time spent up to now is 125.4 secs Computing kpt #: 237 total cpu time spent up to now is 125.8 secs Computing kpt #: 238 total cpu time spent up to now is 126.2 secs Computing kpt #: 239 total cpu time spent up to now is 126.7 secs Computing kpt #: 240 total cpu time spent up to now is 127.1 secs Computing kpt #: 241 total cpu time spent up to now is 127.6 secs Computing kpt #: 242 total cpu time spent up to now is 128.0 secs Computing kpt #: 243 total cpu time spent up to now is 128.5 secs Computing kpt #: 244 total cpu time spent up to now is 128.9 secs Computing kpt #: 245 total cpu time spent up to now is 129.4 secs Computing kpt #: 246 total cpu time spent up to now is 129.9 secs Computing kpt #: 247 total cpu time spent up to now is 130.4 secs Computing kpt #: 248 total cpu time spent up to now is 130.9 secs Computing kpt #: 249 total cpu time spent up to now is 131.4 secs Computing kpt #: 250 total cpu time spent up to now is 131.9 secs Computing kpt #: 251 total cpu time spent up to now is 132.5 secs Computing kpt #: 252 total cpu time spent up to now is 133.1 secs Computing kpt #: 253 total cpu time spent up to now is 133.8 secs Computing kpt #: 254 total cpu time spent up to now is 134.4 secs Computing kpt #: 255 total cpu time spent up to now is 135.1 secs Computing kpt #: 256 total cpu time spent up to now is 135.8 secs Computing kpt #: 257 total cpu time spent up to now is 136.4 secs Computing kpt #: 258 total cpu time spent up to now is 137.1 secs Computing kpt #: 259 total cpu time spent up to now is 137.7 secs Computing kpt #: 260 total cpu time spent up to now is 138.4 secs Computing kpt #: 261 total cpu time spent up to now is 139.0 secs Computing kpt #: 262 total cpu time spent up to now is 139.7 secs Computing kpt #: 263 total cpu time spent up to now is 140.3 secs Computing kpt #: 264 total cpu time spent up to now is 141.0 secs Computing kpt #: 265 total cpu time spent up to now is 141.6 secs Computing kpt #: 266 total cpu time spent up to now is 142.2 secs Computing kpt #: 267 total cpu time spent up to now is 142.9 secs Computing kpt #: 268 total cpu time spent up to now is 143.5 secs Computing kpt #: 269 total cpu time spent up to now is 144.1 secs Computing kpt #: 270 total cpu time spent up to now is 144.7 secs Computing kpt #: 271 total cpu time spent up to now is 145.3 secs Computing kpt #: 272 total cpu time spent up to now is 145.9 secs Computing kpt #: 273 total cpu time spent up to now is 146.5 secs Computing kpt #: 274 total cpu time spent up to now is 147.1 secs Computing kpt #: 275 total cpu time spent up to now is 147.6 secs Computing kpt #: 276 total cpu time spent up to now is 148.1 secs Computing kpt #: 277 total cpu time spent up to now is 148.7 secs Computing kpt #: 278 total cpu time spent up to now is 149.2 secs Computing kpt #: 279 total cpu time spent up to now is 149.7 secs Computing kpt #: 280 total cpu time spent up to now is 150.2 secs Computing kpt #: 281 total cpu time spent up to now is 150.8 secs Computing kpt #: 282 total cpu time spent up to now is 151.3 secs Computing kpt #: 283 total cpu time spent up to now is 151.8 secs Computing kpt #: 284 total cpu time spent up to now is 152.3 secs Computing kpt #: 285 total cpu time spent up to now is 152.9 secs Computing kpt #: 286 total cpu time spent up to now is 153.4 secs Computing kpt #: 287 total cpu time spent up to now is 153.9 secs Computing kpt #: 288 total cpu time spent up to now is 154.4 secs Computing kpt #: 289 total cpu time spent up to now is 155.0 secs Computing kpt #: 290 total cpu time spent up to now is 155.5 secs Computing kpt #: 291 total cpu time spent up to now is 156.1 secs Computing kpt #: 292 total cpu time spent up to now is 156.6 secs Computing kpt #: 293 total cpu time spent up to now is 157.2 secs Computing kpt #: 294 total cpu time spent up to now is 157.7 secs Computing kpt #: 295 total cpu time spent up to now is 158.3 secs Computing kpt #: 296 total cpu time spent up to now is 158.8 secs Computing kpt #: 297 total cpu time spent up to now is 159.4 secs Computing kpt #: 298 total cpu time spent up to now is 159.9 secs Computing kpt #: 299 total cpu time spent up to now is 160.5 secs Computing kpt #: 300 total cpu time spent up to now is 161.0 secs Computing kpt #: 301 total cpu time spent up to now is 161.6 secs Computing kpt #: 302 total cpu time spent up to now is 162.2 secs Computing kpt #: 303 total cpu time spent up to now is 162.7 secs Computing kpt #: 304 total cpu time spent up to now is 163.2 secs Computing kpt #: 305 total cpu time spent up to now is 163.7 secs Computing kpt #: 306 total cpu time spent up to now is 164.2 secs Computing kpt #: 307 total cpu time spent up to now is 164.6 secs Computing kpt #: 308 total cpu time spent up to now is 165.1 secs Computing kpt #: 309 total cpu time spent up to now is 165.5 secs Computing kpt #: 310 total cpu time spent up to now is 166.0 secs Computing kpt #: 311 total cpu time spent up to now is 166.5 secs Computing kpt #: 312 total cpu time spent up to now is 166.9 secs Computing kpt #: 313 total cpu time spent up to now is 167.4 secs Computing kpt #: 314 total cpu time spent up to now is 167.8 secs Computing kpt #: 315 total cpu time spent up to now is 168.2 secs Computing kpt #: 316 total cpu time spent up to now is 168.7 secs Computing kpt #: 317 total cpu time spent up to now is 169.1 secs Computing kpt #: 318 total cpu time spent up to now is 169.5 secs Computing kpt #: 319 total cpu time spent up to now is 170.0 secs Computing kpt #: 320 total cpu time spent up to now is 170.4 secs Computing kpt #: 321 total cpu time spent up to now is 170.8 secs Computing kpt #: 322 total cpu time spent up to now is 171.3 secs Computing kpt #: 323 total cpu time spent up to now is 171.7 secs Computing kpt #: 324 total cpu time spent up to now is 172.1 secs Computing kpt #: 325 total cpu time spent up to now is 172.6 secs Computing kpt #: 326 total cpu time spent up to now is 173.0 secs Computing kpt #: 327 total cpu time spent up to now is 173.4 secs Computing kpt #: 328 total cpu time spent up to now is 173.8 secs Computing kpt #: 329 total cpu time spent up to now is 174.3 secs Computing kpt #: 330 total cpu time spent up to now is 174.7 secs Computing kpt #: 331 total cpu time spent up to now is 175.2 secs Computing kpt #: 332 total cpu time spent up to now is 175.6 secs Computing kpt #: 333 total cpu time spent up to now is 176.1 secs Computing kpt #: 334 total cpu time spent up to now is 176.6 secs Computing kpt #: 335 total cpu time spent up to now is 177.0 secs Computing kpt #: 336 total cpu time spent up to now is 177.5 secs Computing kpt #: 337 total cpu time spent up to now is 178.0 secs Computing kpt #: 338 total cpu time spent up to now is 178.5 secs Computing kpt #: 339 total cpu time spent up to now is 179.0 secs Computing kpt #: 340 total cpu time spent up to now is 179.5 secs Computing kpt #: 341 total cpu time spent up to now is 180.0 secs Computing kpt #: 342 total cpu time spent up to now is 180.5 secs Computing kpt #: 343 total cpu time spent up to now is 181.0 secs Computing kpt #: 344 total cpu time spent up to now is 181.5 secs Computing kpt #: 345 total cpu time spent up to now is 181.9 secs Computing kpt #: 346 total cpu time spent up to now is 182.4 secs ethr = 2.08E-08, avg # of iterations = 17.1 total cpu time spent up to now is 182.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4573 PWs) bands (ev): -64.4996 -64.4996 -34.2609 -34.2609 -33.0557 -33.0557 -33.0557 -33.0557 -0.5628 -0.5628 -0.5628 -0.5628 0.2427 0.2427 0.2930 0.2930 0.2930 0.2930 4.5516 4.5516 11.2186 11.2186 11.2306 11.2306 11.2306 11.2306 11.4490 11.4490 11.4490 11.4490 12.3124 12.3124 12.3124 12.3124 12.3821 12.3821 13.4147 13.4147 13.4147 13.4147 13.5240 13.5240 13.5240 13.5240 13.6266 13.6266 14.2213 14.2213 14.2213 14.2213 18.7867 18.7867 19.2378 19.2378 19.2378 19.2378 19.7652 19.7652 k = 0.0096-0.0056 0.0079 ( 4573 PWs) bands (ev): -64.4996 -64.4996 -34.2609 -34.2609 -33.0557 -33.0557 -33.0557 -33.0557 -0.5628 -0.5628 -0.5628 -0.5628 0.2427 0.2427 0.2930 0.2930 0.2930 0.2930 4.5532 4.5532 11.2171 11.2171 11.2286 11.2286 11.2311 11.2311 11.4493 11.4493 11.4517 11.4517 12.3119 12.3119 12.3126 12.3126 12.3819 12.3819 13.4093 13.4093 13.4147 13.4147 13.5228 13.5228 13.5272 13.5272 13.6268 13.6268 14.2209 14.2209 14.2211 14.2211 18.7762 18.7762 19.2122 19.2122 19.2216 19.2216 19.7933 19.7933 k = 0.0192-0.0111 0.0157 ( 4585 PWs) bands (ev): -64.5008 -64.5008 -34.2609 -34.2609 -33.0557 -33.0557 -33.0557 -33.0557 -0.5628 -0.5628 -0.5627 -0.5627 0.2428 0.2428 0.2931 0.2931 0.2931 0.2931 4.5579 4.5579 11.2089 11.2089 11.2268 11.2268 11.2326 11.2326 11.4502 11.4502 11.4590 11.4590 12.3088 12.3088 12.3099 12.3099 12.3787 12.3787 13.3950 13.3950 13.4146 13.4146 13.5165 13.5165 13.5329 13.5329 13.6262 13.6262 14.2185 14.2185 14.2190 14.2190 18.7456 18.7456 19.1470 19.1470 19.1751 19.1751 19.8653 19.8653 k = 0.0288-0.0167 0.0236 ( 4601 PWs) bands (ev): -64.5025 -64.5025 -34.2610 -34.2610 -33.0558 -33.0558 -33.0558 -33.0558 -0.5628 -0.5628 -0.5626 -0.5626 0.2429 0.2429 0.2932 0.2932 0.2932 0.2932 4.5659 4.5659 11.1922 11.1922 11.2282 11.2282 11.2351 11.2351 11.4518 11.4518 11.4698 11.4698 12.3028 12.3028 12.3082 12.3082 12.3748 12.3748 13.3748 13.3748 13.4144 13.4144 13.5083 13.5083 13.5374 13.5374 13.6268 13.6268 14.2147 14.2147 14.2147 14.2147 18.6971 18.6971 19.0599 19.0599 19.1038 19.1038 19.9426 19.9426 k = 0.0385-0.0222 0.0314 ( 4597 PWs) bands (ev): -64.5021 -64.5021 -34.2610 -34.2610 -33.0558 -33.0558 -33.0558 -33.0558 -0.5627 -0.5627 -0.5623 -0.5623 0.2431 0.2431 0.2934 0.2934 0.2934 0.2934 4.5772 4.5772 11.1701 11.1701 11.2313 11.2313 11.2386 11.2386 11.4543 11.4543 11.4841 11.4841 12.2990 12.2990 12.3094 12.3094 12.3739 12.3739 13.3518 13.3518 13.4142 13.4142 13.4998 13.4998 13.5406 13.5406 13.6327 13.6327 14.2118 14.2118 14.2189 14.2189 18.6344 18.6344 18.9619 18.9619 19.0146 19.0146 19.8483 19.8483 k = 0.0481-0.0278 0.0393 ( 4589 PWs) bands (ev): -64.5013 -64.5013 -34.2609 -34.2609 -33.0558 -33.0558 -33.0557 -33.0557 -0.5627 -0.5627 -0.5620 -0.5620 0.2434 0.2434 0.2936 0.2936 0.2936 0.2936 4.5916 4.5916 11.1439 11.1439 11.2356 11.2356 11.2431 11.2431 11.4577 11.4577 11.4996 11.4996 12.2940 12.2940 12.3125 12.3125 12.3744 12.3744 13.3271 13.3271 13.4139 13.4139 13.4902 13.4902 13.5395 13.5395 13.6421 13.6421 14.2086 14.2086 14.2217 14.2217 18.5608 18.5608 18.8579 18.8579 18.9129 18.9129 19.7583 19.7583 k = 0.0577-0.0333 0.0471 ( 4589 PWs) bands (ev): -64.5013 -64.5013 -34.2609 -34.2609 -33.0558 -33.0558 -33.0557 -33.0557 -0.5626 -0.5626 -0.5616 -0.5616 0.2436 0.2436 0.2938 0.2938 0.2939 0.2939 4.6093 4.6093 11.1143 11.1143 11.2409 11.2409 11.2486 11.2486 11.4617 11.4617 11.5154 11.5154 12.2867 12.2867 12.3142 12.3142 12.3739 12.3739 13.3014 13.3014 13.4136 13.4136 13.4771 13.4771 13.5326 13.5326 13.6537 13.6537 14.2042 14.2042 14.2195 14.2195 18.4787 18.4787 18.7495 18.7495 18.8016 18.8016 19.6726 19.6726 k = 0.0673-0.0389 0.0550 ( 4589 PWs) bands (ev): -64.5013 -64.5013 -34.2610 -34.2610 -33.0558 -33.0558 -33.0557 -33.0557 -0.5625 -0.5625 -0.5612 -0.5612 0.2440 0.2440 0.2941 0.2941 0.2942 0.2942 4.6301 4.6301 11.0820 11.0820 11.2473 11.2473 11.2550 11.2550 11.4658 11.4658 11.5313 11.5313 12.2776 12.2776 12.3174 12.3174 12.3749 12.3749 13.2752 13.2752 13.4131 13.4131 13.4624 13.4624 13.5220 13.5220 13.6663 13.6663 14.1961 14.1961 14.2160 14.2160 18.3906 18.3906 18.6387 18.6387 18.6844 18.6844 19.5909 19.5909 k = 0.0769-0.0444 0.0628 ( 4577 PWs) bands (ev): -64.5000 -64.5000 -34.2609 -34.2609 -33.0557 -33.0557 -33.0557 -33.0557 -0.5624 -0.5624 -0.5607 -0.5607 0.2444 0.2444 0.2945 0.2945 0.2946 0.2946 4.6542 4.6542 11.0475 11.0475 11.2547 11.2547 11.2625 11.2625 11.4718 11.4718 11.5473 11.5473 12.2676 12.2676 12.3222 12.3222 12.3779 12.3779 13.2493 13.2493 13.4125 13.4125 13.4470 13.4470 13.5092 13.5092 13.6805 13.6805 14.1948 14.1948 14.2134 14.2134 18.2982 18.2982 18.5267 18.5267 18.5635 18.5635 19.5145 19.5145 k = 0.0865-0.0500 0.0707 ( 4577 PWs) bands (ev): -64.5000 -64.5000 -34.2609 -34.2609 -33.0557 -33.0557 -33.0557 -33.0557 -0.5623 -0.5623 -0.5601 -0.5601 0.2448 0.2448 0.2948 0.2948 0.2951 0.2951 4.6814 4.6814 11.0110 11.0110 11.2630 11.2630 11.2709 11.2709 11.4779 11.4779 11.5630 11.5630 12.2537 12.2537 12.3249 12.3249 12.3790 12.3790 13.2235 13.2235 13.4113 13.4113 13.4284 13.4284 13.4922 13.4922 13.6935 13.6935 14.1880 14.1880 14.2103 14.2103 18.2011 18.2011 18.4136 18.4136 18.4384 18.4384 19.4412 19.4412 k = 0.0962-0.0555 0.0785 ( 4581 PWs) bands (ev): -64.5004 -64.5004 -34.2610 -34.2610 -33.0558 -33.0558 -33.0557 -33.0557 -0.5621 -0.5621 -0.5595 -0.5595 0.2452 0.2452 0.2952 0.2952 0.2956 0.2956 4.7117 4.7117 10.9724 10.9724 11.2723 11.2723 11.2803 11.2803 11.4847 11.4847 11.5780 11.5780 12.2374 12.2374 12.3276 12.3276 12.3805 12.3805 13.1984 13.1984 13.4030 13.4030 13.4148 13.4148 13.4727 13.4727 13.7059 13.7059 14.1804 14.1804 14.2020 14.2020 18.1000 18.1000 18.3005 18.3005 18.3110 18.3110 19.3717 19.3717 k = 0.1058-0.0611 0.0864 ( 4577 PWs) bands (ev): -64.4999 -64.4999 -34.2610 -34.2610 -33.0558 -33.0558 -33.0558 -33.0558 -0.5620 -0.5620 -0.5589 -0.5589 0.2457 0.2457 0.2956 0.2956 0.2961 0.2961 4.7452 4.7452 10.9328 10.9328 11.2826 11.2826 11.2906 11.2906 11.4921 11.4921 11.5936 11.5936 12.2188 12.2188 12.3310 12.3310 12.3828 12.3828 13.1742 13.1742 13.3819 13.3819 13.4125 13.4125 13.4514 13.4514 13.7175 13.7175 14.1720 14.1720 14.2031 14.2031 17.9954 17.9954 18.1825 18.1825 18.1888 18.1888 19.3061 19.3061 k = 0.1154-0.0666 0.0942 ( 4573 PWs) bands (ev): -64.4995 -64.4995 -34.2610 -34.2610 -33.0558 -33.0558 -33.0558 -33.0558 -0.5618 -0.5618 -0.5582 -0.5582 0.2461 0.2461 0.2960 0.2960 0.2968 0.2968 4.7819 4.7819 10.8915 10.8915 11.2939 11.2939 11.3019 11.3019 11.5003 11.5003 11.6083 11.6083 12.1978 12.1978 12.3355 12.3355 12.3865 12.3865 13.1510 13.1510 13.3585 13.3585 13.4116 13.4116 13.4289 13.4289 13.7282 13.7282 14.1632 14.1632 14.2011 14.2011 17.8874 17.8874 18.0537 18.0537 18.0785 18.0785 19.2442 19.2442 k = 0.1250-0.0722 0.1021 ( 4569 PWs) bands (ev): -64.4990 -64.4990 -34.2610 -34.2610 -33.0558 -33.0558 -33.0558 -33.0558 -0.5617 -0.5617 -0.5575 -0.5575 0.2466 0.2466 0.2964 0.2964 0.2975 0.2975 4.8217 4.8217 10.8492 10.8492 11.3060 11.3060 11.3142 11.3142 11.5091 11.5091 11.6229 11.6229 12.1741 12.1741 12.3394 12.3394 12.3898 12.3898 13.1291 13.1291 13.3327 13.3327 13.4042 13.4042 13.4109 13.4109 13.7376 13.7376 14.1535 14.1535 14.2032 14.2032 17.7755 17.7755 17.9240 17.9240 17.9694 17.9694 19.1855 19.1855 k = 0.1346-0.0777 0.1099 ( 4561 PWs) bands (ev): -64.4982 -64.4982 -34.2610 -34.2610 -33.0558 -33.0558 -33.0558 -33.0558 -0.5615 -0.5615 -0.5567 -0.5567 0.2472 0.2472 0.2969 0.2969 0.2982 0.2982 4.8646 4.8646 10.8052 10.8052 11.3192 11.3192 11.3273 11.3273 11.5186 11.5186 11.6363 11.6363 12.1489 12.1489 12.3458 12.3458 12.3958 12.3958 13.1087 13.1087 13.3073 13.3073 13.3798 13.3798 13.4102 13.4102 13.7465 13.7465 14.1439 14.1439 14.1995 14.1995 17.6619 17.6619 17.7958 17.7958 17.8604 17.8604 19.1309 19.1309 k = 0.1442-0.0833 0.1178 ( 4565 PWs) bands (ev): -64.4986 -64.4986 -34.2610 -34.2610 -33.0558 -33.0558 -33.0558 -33.0558 -0.5614 -0.5614 -0.5559 -0.5559 0.2477 0.2477 0.2973 0.2973 0.2991 0.2991 4.9106 4.9106 10.7595 10.7595 11.3332 11.3332 11.3414 11.3414 11.5286 11.5286 11.6483 11.6483 12.1212 12.1212 12.3506 12.3506 12.4004 12.4004 13.0896 13.0896 13.2789 13.2789 13.3525 13.3525 13.4095 13.4095 13.7542 13.7542 14.1332 14.1332 14.1888 14.1888 17.5447 17.5447 17.6666 17.6666 17.7493 17.7493 19.0794 19.0794 k = 0.1538-0.0888 0.1256 ( 4573 PWs) bands (ev): -64.4994 -64.4994 -34.2610 -34.2610 -33.0559 -33.0559 -33.0558 -33.0558 -0.5612 -0.5612 -0.5552 -0.5552 0.2482 0.2482 0.2976 0.2976 0.2999 0.2999 4.9595 4.9595 10.7124 10.7124 11.3481 11.3481 11.3563 11.3563 11.5392 11.5392 11.6592 11.6592 12.0914 12.0914 12.3554 12.3554 12.4050 12.4050 13.0721 13.0721 13.2490 13.2490 13.3237 13.3237 13.4087 13.4087 13.7607 13.7607 14.1214 14.1214 14.1753 14.1753 17.4254 17.4254 17.5374 17.5374 17.6353 17.6353 19.0310 19.0310 k = 0.1635-0.0944 0.1335 ( 4564 PWs) bands (ev): -64.4985 -64.4985 -34.2610 -34.2610 -33.0559 -33.0559 -33.0558 -33.0558 -0.5610 -0.5610 -0.5543 -0.5543 0.2487 0.2487 0.2980 0.2980 0.3009 0.3009 5.0116 5.0116 10.6652 10.6652 11.3639 11.3639 11.3721 11.3721 11.5507 11.5507 11.6704 11.6704 12.0603 12.0603 12.3629 12.3629 12.4126 12.4126 13.0562 13.0562 13.2204 13.2204 13.2959 13.2959 13.4080 13.4080 13.7666 13.7666 14.1109 14.1109 14.1710 14.1710 17.3072 17.3072 17.4109 17.4109 17.5200 17.5200 18.9861 18.9861 k = 0.1731-0.0999 0.1413 ( 4580 PWs) bands (ev): -64.5002 -64.5002 -34.2611 -34.2611 -33.0560 -33.0560 -33.0558 -33.0558 -0.5608 -0.5608 -0.5535 -0.5535 0.2492 0.2492 0.2984 0.2984 0.3019 0.3019 5.0666 5.0666 10.6168 10.6168 11.3805 11.3805 11.3887 11.3887 11.5622 11.5622 11.6801 11.6801 12.0263 12.0263 12.3658 12.3658 12.4153 12.4153 13.0417 13.0417 13.1863 13.1863 13.2633 13.2633 13.4072 13.4072 13.7704 13.7704 14.0973 14.0973 14.1603 14.1603 17.1841 17.1841 17.2805 17.2805 17.3991 17.3991 18.9429 18.9429 k = 0.1827-0.1055 0.1492 ( 4588 PWs) bands (ev): -64.5011 -64.5011 -34.2611 -34.2611 -33.0560 -33.0560 -33.0558 -33.0558 -0.5607 -0.5607 -0.5527 -0.5527 0.2497 0.2497 0.2987 0.2987 0.3030 0.3030 5.1245 5.1245 10.5680 10.5680 11.3980 11.3980 11.4061 11.4061 11.5743 11.5743 11.6895 11.6895 11.9892 11.9892 12.3711 12.3711 12.4207 12.4207 13.0287 13.0287 13.1536 13.1536 13.2319 13.2319 13.4064 13.4064 13.7722 13.7722 14.0829 14.0829 14.1538 14.1538 17.0628 17.0628 17.1531 17.1531 17.2748 17.2748 18.9010 18.9010 k = 0.1923-0.1110 0.1570 ( 4588 PWs) bands (ev): -64.5012 -64.5012 -34.2611 -34.2611 -33.0560 -33.0560 -33.0559 -33.0559 -0.5605 -0.5605 -0.5519 -0.5519 0.2502 0.2502 0.2990 0.2990 0.3041 0.3041 5.1855 5.1855 10.5187 10.5187 11.4163 11.4163 11.4242 11.4242 11.5869 11.5869 11.6978 11.6978 11.9532 11.9532 12.3785 12.3785 12.4283 12.4283 13.0170 13.0170 13.1214 13.1214 13.2009 13.2009 13.4057 13.4057 13.7747 13.7747 14.0687 14.0687 14.1474 14.1474 16.9429 16.9429 17.0280 17.0280 17.1460 17.1460 18.8503 18.8503 k = 0.2019-0.1166 0.1649 ( 4584 PWs) bands (ev): -64.5007 -64.5007 -34.2611 -34.2611 -33.0561 -33.0561 -33.0559 -33.0559 -0.5603 -0.5603 -0.5511 -0.5511 0.2506 0.2506 0.2993 0.2993 0.3053 0.3053 5.2493 5.2493 10.4688 10.4688 11.4353 11.4353 11.4431 11.4431 11.6004 11.6004 11.7051 11.7051 11.9162 11.9162 12.3871 12.3871 12.4373 12.4373 13.0067 13.0067 13.0894 13.0894 13.1702 13.1702 13.4049 13.4049 13.7763 13.7763 14.0565 14.0565 14.1409 14.1409 16.8243 16.8243 16.9048 16.9048 17.0125 17.0125 18.7469 18.7469 k = 0.2115-0.1221 0.1727 ( 4576 PWs) bands (ev): -64.4999 -64.4999 -34.2611 -34.2611 -33.0561 -33.0561 -33.0558 -33.0558 -0.5602 -0.5602 -0.5503 -0.5503 0.2511 0.2511 0.2995 0.2995 0.3065 0.3065 5.3160 5.3160 10.4186 10.4186 11.4552 11.4552 11.4627 11.4627 11.6142 11.6142 11.7111 11.7111 11.8787 11.8787 12.3973 12.3973 12.4480 12.4480 12.9976 12.9976 13.0578 13.0578 13.1400 13.1400 13.4041 13.4041 13.7773 13.7773 14.0446 14.0446 14.1340 14.1340 16.7077 16.7077 16.7842 16.7842 16.8751 16.8751 18.6531 18.6531 k = 0.2212-0.1277 0.1806 ( 4576 PWs) bands (ev): -64.4999 -64.4999 -34.2611 -34.2611 -33.0561 -33.0561 -33.0559 -33.0559 -0.5600 -0.5600 -0.5495 -0.5495 0.2515 0.2515 0.2997 0.2997 0.3078 0.3078 5.3854 5.3854 10.3680 10.3680 11.4757 11.4757 11.4828 11.4828 11.6279 11.6279 11.7158 11.7158 11.8406 11.8406 12.4064 12.4064 12.4576 12.4576 12.9891 12.9891 13.0247 13.0247 13.1090 13.1090 13.4033 13.4033 13.7773 13.7773 14.0291 14.0291 14.1269 14.1269 16.5904 16.5904 16.6632 16.6632 16.7342 16.7342 18.5686 18.5686 k = 0.2308-0.1332 0.1884 ( 4576 PWs) bands (ev): -64.4999 -64.4999 -34.2611 -34.2611 -33.0561 -33.0561 -33.0559 -33.0559 -0.5599 -0.5599 -0.5487 -0.5487 0.2519 0.2519 0.2999 0.2999 0.3092 0.3092 5.4576 5.4576 10.3172 10.3172 11.4969 11.4969 11.5033 11.5033 11.6418 11.6418 11.7189 11.7189 11.8024 11.8024 12.4162 12.4162 12.4681 12.4681 12.9810 12.9810 12.9916 12.9916 13.0787 13.0787 13.4025 13.4025 13.7765 13.7765 14.0132 14.0132 14.1194 14.1194 16.4741 16.4741 16.5438 16.5438 16.5910 16.5910 18.4927 18.4927 k = 0.2404-0.1388 0.1963 ( 4576 PWs) bands (ev): -64.4999 -64.4999 -34.2612 -34.2612 -33.0561 -33.0561 -33.0559 -33.0559 -0.5597 -0.5597 -0.5479 -0.5479 0.2523 0.2523 0.3000 0.3000 0.3105 0.3105 5.5324 5.5324 10.2661 10.2661 11.5187 11.5187 11.5239 11.5239 11.6554 11.6554 11.7204 11.7204 11.7651 11.7651 12.4267 12.4267 12.4793 12.4793 12.9585 12.9585 12.9724 12.9724 13.0500 13.0500 13.4017 13.4017 13.7751 13.7751 13.9970 13.9970 14.1116 14.1116 16.3591 16.3591 16.4260 16.4260 16.4467 16.4467 18.4248 18.4248 k = 0.2500-0.1443 0.2041 ( 4584 PWs) bands (ev): -64.5007 -64.5007 -34.2612 -34.2612 -33.0562 -33.0562 -33.0559 -33.0559 -0.5596 -0.5596 -0.5472 -0.5472 0.2527 0.2527 0.3000 0.3000 0.3119 0.3119 5.6099 5.6099 10.2148 10.2148 11.5410 11.5410 11.5442 11.5442 11.6671 11.6671 11.7202 11.7202 11.7296 11.7296 12.4366 12.4366 12.4899 12.4899 12.9244 12.9244 12.9610 12.9610 13.0242 13.0242 13.4009 13.4009 13.7721 13.7721 13.9778 13.9778 14.1033 14.1033 16.2435 16.2435 16.3024 16.3024 16.3082 16.3082 18.3641 18.3641 k = 0.2596-0.1499 0.2120 ( 4576 PWs) bands (ev): -64.4999 -64.4999 -34.2612 -34.2612 -33.0562 -33.0562 -33.0559 -33.0559 -0.5594 -0.5594 -0.5465 -0.5465 0.2530 0.2530 0.3001 0.3001 0.3133 0.3133 5.6899 5.6899 10.1642 10.1642 11.5630 11.5630 11.5639 11.5639 11.6696 11.6696 11.7072 11.7072 11.7185 11.7185 12.4492 12.4492 12.5033 12.5033 12.8921 12.8921 12.9450 12.9450 13.0054 13.0054 13.4001 13.4001 13.7694 13.7694 13.9611 13.9611 14.1006 14.1006 16.1303 16.1303 16.1639 16.1639 16.1947 16.1947 18.3103 18.3103 k = 0.2692-0.1554 0.2198 ( 4576 PWs) bands (ev): -64.4998 -64.4998 -34.2612 -34.2612 -33.0562 -33.0562 -33.0559 -33.0559 -0.5593 -0.5593 -0.5458 -0.5458 0.2533 0.2533 0.3001 0.3001 0.3147 0.3147 5.7723 5.7723 10.1127 10.1127 11.5754 11.5754 11.5871 11.5871 11.6533 11.6533 11.7109 11.7109 11.7143 11.7143 12.4619 12.4619 12.5170 12.5170 12.8597 12.8597 12.9227 12.9227 12.9938 12.9938 13.3993 13.3993 13.7661 13.7661 13.9441 13.9441 14.0910 14.0910 16.0081 16.0081 16.0342 16.0342 16.0823 16.0823 18.2621 18.2621 k = 0.2788-0.1610 0.2277 ( 4560 PWs) bands (ev): -64.4981 -64.4981 -34.2612 -34.2612 -33.0562 -33.0562 -33.0559 -33.0559 -0.5592 -0.5592 -0.5452 -0.5452 0.2536 0.2536 0.3000 0.3000 0.3162 0.3162 5.8571 5.8571 10.0617 10.0617 11.5710 11.5710 11.6104 11.6104 11.6480 11.6480 11.7080 11.7080 11.7246 11.7246 12.4755 12.4755 12.5318 12.5318 12.8280 12.8280 12.8967 12.8967 12.9875 12.9875 13.3985 13.3985 13.7652 13.7652 13.9377 13.9377 14.0841 14.0841 15.8764 15.8764 15.9218 15.9218 15.9722 15.9722 18.2191 18.2191 k = 0.2885-0.1665 0.2355 ( 4568 PWs) bands (ev): -64.4989 -64.4989 -34.2612 -34.2612 -33.0563 -33.0563 -33.0559 -33.0559 -0.5591 -0.5591 -0.5446 -0.5446 0.2539 0.2539 0.2999 0.2999 0.3176 0.3176 5.9441 5.9441 10.0094 10.0094 11.5461 11.5461 11.6332 11.6332 11.6598 11.6598 11.6996 11.6996 11.7393 11.7393 12.4886 12.4886 12.5460 12.5460 12.7955 12.7955 12.8678 12.8678 12.9840 12.9840 13.3978 13.3978 13.7609 13.7609 13.9204 13.9204 14.0697 14.0697 15.7403 15.7403 15.8131 15.8131 15.8623 15.8623 18.1803 18.1803 k = 0.2981-0.1721 0.2434 ( 4568 PWs) bands (ev): -64.4989 -64.4989 -34.2612 -34.2612 -33.0563 -33.0563 -33.0559 -33.0559 -0.5590 -0.5590 -0.5441 -0.5441 0.2542 0.2542 0.2998 0.2998 0.3191 0.3191 6.0333 6.0333 9.9576 9.9576 11.5134 11.5134 11.6532 11.6532 11.6794 11.6794 11.6922 11.6922 11.7547 11.7547 12.5028 12.5028 12.5616 12.5616 12.7647 12.7647 12.8392 12.8392 12.9821 12.9821 13.3970 13.3970 13.7556 13.7556 13.9035 13.9035 14.0594 14.0594 15.6120 15.6120 15.7084 15.7084 15.7557 15.7557 18.1460 18.1460 k = 0.3077-0.1776 0.2512 ( 4568 PWs) bands (ev): -64.4989 -64.4989 -34.2613 -34.2613 -33.0563 -33.0563 -33.0559 -33.0559 -0.5589 -0.5589 -0.5435 -0.5435 0.2544 0.2544 0.2996 0.2996 0.3205 0.3205 6.1244 6.1244 9.9053 9.9053 11.4796 11.4796 11.6586 11.6586 11.6968 11.6968 11.7016 11.7016 11.7704 11.7704 12.5177 12.5177 12.5781 12.5781 12.7351 12.7351 12.8111 12.8111 12.9814 12.9814 13.3963 13.3963 13.7507 13.7507 13.8865 13.8865 14.0466 14.0466 15.4878 15.4878 15.6063 15.6063 15.6515 15.6515 18.1154 18.1154 k = 0.3173-0.1832 0.2591 ( 4576 PWs) bands (ev): -64.4997 -64.4997 -34.2613 -34.2613 -33.0564 -33.0564 -33.0560 -33.0560 -0.5588 -0.5588 -0.5431 -0.5431 0.2546 0.2546 0.2994 0.2994 0.3219 0.3219 6.2175 6.2175 9.8525 9.8525 11.4454 11.4454 11.6461 11.6461 11.7164 11.7164 11.7246 11.7246 11.7858 11.7858 12.5318 12.5318 12.5941 12.5941 12.7059 12.7059 12.7831 12.7831 12.9815 12.9815 13.3956 13.3956 13.7447 13.7447 13.8654 13.8654 14.0326 14.0326 15.3697 15.3697 15.5051 15.5051 15.5480 15.5480 18.0880 18.0880 k = 0.3269-0.1887 0.2669 ( 4576 PWs) bands (ev): -64.4997 -64.4997 -34.2613 -34.2613 -33.0564 -33.0564 -33.0560 -33.0560 -0.5587 -0.5587 -0.5426 -0.5426 0.2548 0.2548 0.2992 0.2992 0.3232 0.3232 6.3123 6.3123 9.7997 9.7997 11.4123 11.4123 11.6271 11.6271 11.7401 11.7401 11.7481 11.7481 11.8012 11.8012 12.5453 12.5453 12.6102 12.6102 12.6811 12.6811 12.7584 12.7584 12.9823 12.9823 13.3949 13.3949 13.7392 13.7392 13.8421 13.8421 14.0202 14.0202 15.2620 15.2620 15.4082 15.4082 15.4488 15.4488 18.0640 18.0640 k = 0.3365-0.1943 0.2748 ( 4576 PWs) bands (ev): -64.4996 -64.4996 -34.2613 -34.2613 -33.0564 -33.0564 -33.0560 -33.0560 -0.5586 -0.5586 -0.5422 -0.5422 0.2550 0.2550 0.2989 0.2989 0.3246 0.3246 6.4086 6.4086 9.7461 9.7461 11.3802 11.3802 11.6041 11.6041 11.7647 11.7647 11.7715 11.7715 11.8173 11.8173 12.5543 12.5543 12.6232 12.6232 12.6618 12.6618 12.7379 12.7379 12.9835 12.9835 13.3943 13.3943 13.7334 13.7334 13.8257 13.8257 14.0038 14.0038 15.1593 15.1593 15.3135 15.3135 15.3517 15.3517 18.0422 18.0422 k = 0.3462-0.1999 0.2826 ( 4564 PWs) bands (ev): -64.4983 -64.4983 -34.2613 -34.2613 -33.0564 -33.0564 -33.0560 -33.0560 -0.5586 -0.5586 -0.5418 -0.5418 0.2552 0.2552 0.2986 0.2986 0.3259 0.3259 6.5063 6.5063 9.6916 9.6916 11.3501 11.3501 11.5781 11.5781 11.7902 11.7902 11.7951 11.7951 11.8339 11.8339 12.5542 12.5542 12.6292 12.6292 12.6572 12.6572 12.7300 12.7300 12.9853 12.9853 13.3937 13.3937 13.7285 13.7285 13.8115 13.8115 13.9853 13.9853 15.0632 15.0632 15.2263 15.2263 15.2621 15.2621 18.0228 18.0228 k = 0.3558-0.2054 0.2905 ( 4564 PWs) bands (ev): -64.4983 -64.4983 -34.2613 -34.2613 -33.0564 -33.0564 -33.0560 -33.0560 -0.5585 -0.5585 -0.5415 -0.5415 0.2553 0.2553 0.2984 0.2984 0.3272 0.3272 6.6050 6.6050 9.6367 9.6367 11.3200 11.3200 11.5493 11.5493 11.8151 11.8151 11.8171 11.8171 11.8510 11.8510 12.5426 12.5426 12.6230 12.6230 12.6602 12.6602 12.7306 12.7306 12.9872 12.9872 13.3931 13.3931 13.7219 13.7219 13.8006 13.8006 13.9671 13.9671 14.9782 14.9782 15.1364 15.1364 15.1696 15.1696 18.0054 18.0054 k = 0.3654-0.2110 0.2983 ( 4564 PWs) bands (ev): -64.4983 -64.4983 -34.2613 -34.2613 -33.0564 -33.0564 -33.0560 -33.0560 -0.5585 -0.5585 -0.5412 -0.5412 0.2555 0.2555 0.2981 0.2981 0.3284 0.3284 6.7046 6.7046 9.5808 9.5808 11.2919 11.2919 11.5181 11.5181 11.8377 11.8377 11.8401 11.8401 11.8687 11.8687 12.5231 12.5231 12.6071 12.6071 12.6736 12.6736 12.7434 12.7434 12.9895 12.9895 13.3925 13.3925 13.7156 13.7156 13.7857 13.7857 13.9475 13.9475 14.9007 14.9007 15.0507 15.0507 15.0811 15.0811 17.9900 17.9900 k = 0.3750-0.2165 0.3062 ( 4552 PWs) bands (ev): -64.4970 -64.4970 -34.2613 -34.2613 -33.0564 -33.0564 -33.0560 -33.0560 -0.5584 -0.5584 -0.5409 -0.5409 0.2556 0.2556 0.2978 0.2978 0.3295 0.3295 6.8047 6.8047 9.5238 9.5238 11.2677 11.2677 11.4850 11.4850 11.8565 11.8565 11.8655 11.8655 11.8881 11.8881 12.5005 12.5005 12.5867 12.5867 12.6940 12.6940 12.7646 12.7646 12.9921 12.9921 13.3920 13.3920 13.7125 13.7125 13.7734 13.7734 13.9265 13.9265 14.8302 14.8302 14.9718 14.9718 14.9993 14.9993 17.9761 17.9761 k = 0.3846-0.2221 0.3140 ( 4552 PWs) bands (ev): -64.4970 -64.4970 -34.2613 -34.2613 -33.0564 -33.0564 -33.0560 -33.0560 -0.5584 -0.5584 -0.5407 -0.5407 0.2557 0.2557 0.2975 0.2975 0.3306 0.3306 6.9050 6.9050 9.4660 9.4660 11.2429 11.2429 11.4505 11.4505 11.8727 11.8727 11.8903 11.8903 11.9084 11.9084 12.4761 12.4761 12.5643 12.5643 12.7147 12.7147 12.7867 12.7867 12.9948 12.9948 13.3915 13.3915 13.7052 13.7052 13.7564 13.7564 13.9064 13.9064 14.7719 14.7719 14.8936 14.8936 14.9178 14.9178 17.9644 17.9644 k = 0.3942-0.2276 0.3219 ( 4556 PWs) bands (ev): -64.4974 -64.4974 -34.2614 -34.2614 -33.0565 -33.0565 -33.0560 -33.0560 -0.5584 -0.5584 -0.5405 -0.5405 0.2558 0.2558 0.2972 0.2972 0.3316 0.3316 7.0050 7.0050 9.4070 9.4070 11.2194 11.2194 11.4152 11.4152 11.8871 11.8871 11.9146 11.9146 11.9291 11.9291 12.4508 12.4508 12.5412 12.5412 12.7364 12.7364 12.8098 12.8098 12.9976 12.9976 13.3911 13.3911 13.6975 13.6975 13.7445 13.7445 13.8853 13.8853 14.7180 14.7180 14.8183 14.8183 14.8385 14.8385 17.9537 17.9537 k = 0.4038-0.2332 0.3297 ( 4556 PWs) bands (ev): -64.4974 -64.4974 -34.2614 -34.2614 -33.0565 -33.0565 -33.0560 -33.0560 -0.5583 -0.5583 -0.5403 -0.5403 0.2559 0.2559 0.2969 0.2969 0.3326 0.3326 7.1043 7.1043 9.3470 9.3470 11.1981 11.1981 11.3796 11.3796 11.9001 11.9001 11.9388 11.9388 11.9502 11.9502 12.4258 12.4258 12.5184 12.5184 12.7594 12.7594 12.8345 12.8345 13.0007 13.0007 13.3906 13.3906 13.6901 13.6901 13.7341 13.7341 13.8646 13.8646 14.6704 14.6704 14.7495 14.7495 14.7646 14.7646 17.9443 17.9443 k = 0.4135-0.2387 0.3376 ( 4544 PWs) bands (ev): -64.4961 -64.4961 -34.2613 -34.2613 -33.0565 -33.0565 -33.0560 -33.0560 -0.5583 -0.5583 -0.5402 -0.5402 0.2560 0.2560 0.2966 0.2966 0.3334 0.3334 7.2021 7.2021 9.2859 9.2859 11.1796 11.1796 11.3447 11.3447 11.9120 11.9120 11.9638 11.9638 11.9724 11.9724 12.4019 12.4019 12.4965 12.4965 12.7841 12.7841 12.8607 12.8607 13.0039 13.0039 13.3903 13.3903 13.6851 13.6851 13.7285 13.7285 13.8444 13.8444 14.6247 14.6247 14.6911 14.6911 14.7002 14.7002 17.9358 17.9358 k = 0.4231-0.2443 0.3454 ( 4544 PWs) bands (ev): -64.4961 -64.4961 -34.2614 -34.2614 -33.0565 -33.0565 -33.0560 -33.0560 -0.5583 -0.5583 -0.5400 -0.5400 0.2561 0.2561 0.2964 0.2964 0.3342 0.3342 7.2977 7.2977 9.2247 9.2247 11.1621 11.1621 11.3110 11.3110 11.9225 11.9225 11.9875 11.9875 11.9928 11.9928 12.3773 12.3773 12.4749 12.4749 12.8069 12.8069 12.8848 12.8848 13.0073 13.0073 13.3899 13.3899 13.6779 13.6779 13.7204 13.7204 13.8256 13.8256 14.5836 14.5836 14.6357 14.6357 14.6380 14.6380 17.9287 17.9287 k = 0.4327-0.2498 0.3533 ( 4544 PWs) bands (ev): -64.4960 -64.4960 -34.2614 -34.2614 -33.0565 -33.0565 -33.0560 -33.0560 -0.5583 -0.5583 -0.5399 -0.5399 0.2562 0.2562 0.2961 0.2961 0.3349 0.3349 7.3902 7.3902 9.1636 9.1636 11.1466 11.1466 11.2793 11.2793 11.9319 11.9319 12.0108 12.0108 12.0124 12.0124 12.3532 12.3532 12.4543 12.4543 12.8290 12.8290 12.9077 12.9077 13.0110 13.0110 13.3896 13.3896 13.6708 13.6708 13.7136 13.7136 13.8084 13.8084 14.5405 14.5405 14.5767 14.5767 14.5976 14.5976 17.9226 17.9226 k = 0.4423-0.2554 0.3611 ( 4528 PWs) bands (ev): -64.4943 -64.4943 -34.2613 -34.2613 -33.0564 -33.0564 -33.0560 -33.0560 -0.5583 -0.5583 -0.5398 -0.5398 0.2562 0.2562 0.2959 0.2959 0.3356 0.3356 7.4784 7.4784 9.1036 9.1036 11.1333 11.1333 11.2503 11.2503 11.9401 11.9401 12.0324 12.0324 12.0350 12.0350 12.3304 12.3304 12.4354 12.4354 12.8506 12.8506 12.9294 12.9294 13.0153 13.0153 13.3893 13.3893 13.6659 13.6659 13.7096 13.7096 13.7932 13.7932 14.5025 14.5025 14.5299 14.5299 14.5736 14.5736 17.9183 17.9183 k = 0.4519-0.2609 0.3690 ( 4516 PWs) bands (ev): -64.4930 -64.4930 -34.2613 -34.2613 -33.0564 -33.0564 -33.0559 -33.0559 -0.5583 -0.5583 -0.5397 -0.5397 0.2563 0.2563 0.2958 0.2958 0.3361 0.3361 7.5604 7.5604 9.0460 9.0460 11.1222 11.1222 11.2246 11.2246 11.9472 11.9472 12.0508 12.0508 12.0586 12.0586 12.3082 12.3082 12.4180 12.4180 12.8697 12.8697 12.9476 12.9476 13.0202 13.0202 13.3891 13.3891 13.6608 13.6608 13.7055 13.7055 13.7798 13.7798 14.4665 14.4665 14.4885 14.4885 14.5562 14.5562 17.9149 17.9149 k = 0.4615-0.2665 0.3768 ( 4516 PWs) bands (ev): -64.4930 -64.4930 -34.2613 -34.2613 -33.0564 -33.0564 -33.0559 -33.0559 -0.5583 -0.5583 -0.5397 -0.5397 0.2563 0.2563 0.2956 0.2956 0.3365 0.3365 7.6340 7.6340 8.9925 8.9925 11.1127 11.1127 11.2028 11.2028 11.9529 11.9529 12.0661 12.0661 12.0805 12.0805 12.2858 12.2858 12.4021 12.4021 12.8859 12.8859 12.9618 12.9618 13.0257 13.0257 13.3889 13.3889 13.6557 13.6557 13.7017 13.7017 13.7687 13.7687 14.4313 14.4313 14.4495 14.4495 14.5405 14.5405 17.9115 17.9115 k = 0.4712-0.2720 0.3847 ( 4520 PWs) bands (ev): -64.4934 -64.4934 -34.2613 -34.2613 -33.0564 -33.0564 -33.0560 -33.0560 -0.5583 -0.5583 -0.5396 -0.5396 0.2564 0.2564 0.2955 0.2955 0.3369 0.3369 7.6965 7.6965 8.9458 8.9458 11.1054 11.1054 11.1853 11.1853 11.9575 11.9575 12.0785 12.0785 12.1009 12.1009 12.2644 12.2644 12.3888 12.3888 12.8992 12.8992 12.9720 12.9720 13.0317 13.0317 13.3888 13.3888 13.6507 13.6507 13.6982 13.6982 13.7599 13.7599 14.4012 14.4012 14.4165 14.4165 14.5289 14.5289 17.9088 17.9088 k = 0.4808-0.2776 0.3925 ( 4544 PWs) bands (ev): -64.4959 -64.4959 -34.2614 -34.2614 -33.0565 -33.0565 -33.0560 -33.0560 -0.5583 -0.5583 -0.5396 -0.5396 0.2564 0.2564 0.2954 0.2954 0.3371 0.3371 7.7444 7.7444 8.9089 8.9089 11.0976 11.0976 11.1722 11.1722 11.9607 11.9607 12.0872 12.0872 12.1188 12.1188 12.2450 12.2450 12.3786 12.3786 12.9090 12.9090 12.9786 12.9786 13.0371 13.0371 13.3886 13.3886 13.6414 13.6414 13.6907 13.6907 13.7535 13.7535 14.3762 14.3762 14.3900 14.3900 14.5091 14.5091 17.9058 17.9058 k = 0.4904-0.2831 0.4004 ( 4552 PWs) bands (ev): -64.4968 -64.4968 -34.2614 -34.2614 -33.0565 -33.0565 -33.0561 -33.0561 -0.5583 -0.5583 -0.5396 -0.5396 0.2564 0.2564 0.2953 0.2953 0.3372 0.3372 7.7752 7.7752 8.8851 8.8851 11.0932 11.0932 11.1644 11.1644 11.9627 11.9627 12.0924 12.0924 12.1324 12.1324 12.2301 12.2301 12.3722 12.3722 12.9152 12.9152 12.9823 12.9823 13.0409 13.0409 13.3885 13.3885 13.6386 13.6386 13.6878 13.6878 13.7497 13.7497 14.3610 14.3610 14.3734 14.3734 14.5040 14.5040 17.9047 17.9047 k = 0.5000-0.2887 0.4082 ( 4568 PWs) bands (ev): -64.4985 -64.4985 -34.2614 -34.2614 -33.0566 -33.0566 -33.0561 -33.0561 -0.5583 -0.5583 -0.5396 -0.5396 0.2564 0.2564 0.2953 0.2953 0.3373 0.3373 7.7850 7.7850 8.8768 8.8768 11.0921 11.0921 11.1618 11.1618 11.9634 11.9634 12.0931 12.0931 12.1368 12.1368 12.2241 12.2241 12.3700 12.3700 12.9173 12.9173 12.9835 12.9835 13.0423 13.0423 13.3885 13.3885 13.6365 13.6365 13.6867 13.6867 13.7484 13.7484 14.3520 14.3520 14.3644 14.3644 14.4902 14.4902 17.9025 17.9025 k = 0.5000-0.2887 0.4082 ( 4568 PWs) bands (ev): -64.4985 -64.4985 -34.2614 -34.2614 -33.0566 -33.0566 -33.0561 -33.0561 -0.5583 -0.5583 -0.5396 -0.5396 0.2564 0.2564 0.2953 0.2953 0.3373 0.3373 7.7850 7.7850 8.8768 8.8768 11.0921 11.0921 11.1618 11.1618 11.9634 11.9634 12.0931 12.0931 12.1368 12.1368 12.2241 12.2241 12.3700 12.3700 12.9173 12.9173 12.9835 12.9835 13.0423 13.0423 13.3885 13.3885 13.6365 13.6365 13.6867 13.6867 13.7484 13.7484 14.3520 14.3520 14.3644 14.3644 14.4902 14.4902 17.9025 17.9025 k = 0.5000-0.2776 0.4161 ( 4560 PWs) bands (ev): -64.4976 -64.4976 -34.2614 -34.2614 -33.0566 -33.0566 -33.0560 -33.0560 -0.5582 -0.5582 -0.5396 -0.5396 0.2564 0.2564 0.2953 0.2953 0.3373 0.3373 7.7856 7.7856 8.8782 8.8782 11.0902 11.0902 11.1611 11.1611 11.9623 11.9623 12.0944 12.0944 12.1378 12.1378 12.2238 12.2238 12.3693 12.3693 12.9130 12.9130 12.9804 12.9804 13.0387 13.0387 13.3948 13.3948 13.6429 13.6429 13.6913 13.6913 13.7485 13.7485 14.3529 14.3529 14.3652 14.3652 14.4924 14.4924 17.9083 17.9083 k = 0.5000-0.2665 0.4240 ( 4544 PWs) bands (ev): -64.4959 -64.4959 -34.2614 -34.2614 -33.0565 -33.0565 -33.0560 -33.0560 -0.5581 -0.5581 -0.5396 -0.5396 0.2565 0.2565 0.2954 0.2954 0.3371 0.3371 7.7873 7.7873 8.8826 8.8826 11.0827 11.0827 11.1589 11.1589 11.9593 11.9593 12.0988 12.0988 12.1420 12.1420 12.2225 12.2225 12.3674 12.3674 12.9000 12.9000 12.9706 12.9706 13.0306 13.0306 13.4120 13.4120 13.6548 13.6548 13.7002 13.7002 13.7490 13.7490 14.3573 14.3573 14.3701 14.3701 14.4938 14.4938 17.9259 17.9259 k = 0.5000-0.2554 0.4318 ( 4538 PWs) bands (ev): -64.4953 -64.4953 -34.2614 -34.2614 -33.0565 -33.0565 -33.0560 -33.0560 -0.5580 -0.5580 -0.5397 -0.5397 0.2566 0.2566 0.2955 0.2955 0.3370 0.3370 7.7900 7.7900 8.8898 8.8898 11.0671 11.0671 11.1550 11.1550 11.9546 11.9546 12.1028 12.1028 12.1462 12.1462 12.2197 12.2197 12.3647 12.3647 12.8785 12.8785 12.9542 12.9542 13.0226 13.0226 13.4362 13.4362 13.6716 13.6716 13.7131 13.7131 13.7502 13.7502 14.3577 14.3577 14.3701 14.3701 14.4942 14.4942 17.9547 17.9547 k = 0.5000-0.2443 0.4397 ( 4532 PWs) bands (ev): -64.4947 -64.4947 -34.2614 -34.2614 -33.0565 -33.0565 -33.0560 -33.0560 -0.5578 -0.5578 -0.5397 -0.5397 0.2568 0.2568 0.2956 0.2956 0.3367 0.3367 7.7941 7.7941 8.9000 8.9000 11.0451 11.0451 11.1496 11.1496 11.9490 11.9490 12.1071 12.1071 12.1528 12.1528 12.2145 12.2145 12.3619 12.3619 12.8490 12.8490 12.9339 12.9339 13.0163 13.0163 13.4633 13.4633 13.6881 13.6881 13.7278 13.7278 13.7536 13.7536 14.3586 14.3586 14.3708 14.3708 14.4978 14.4978 17.9957 17.9957 k = 0.5000-0.2332 0.4475 ( 4540 PWs) bands (ev): -64.4955 -64.4955 -34.2614 -34.2614 -33.0565 -33.0565 -33.0560 -33.0560 -0.5576 -0.5576 -0.5397 -0.5397 0.2571 0.2571 0.2958 0.2958 0.3363 0.3363 7.7987 7.7987 8.9130 8.9130 11.0166 11.0166 11.1424 11.1424 11.9427 11.9427 12.1109 12.1109 12.1607 12.1607 12.2057 12.2057 12.3597 12.3597 12.8130 12.8130 12.9126 12.9126 13.0113 13.0113 13.4900 13.4900 13.7041 13.7041 13.7377 13.7377 13.7623 13.7623 14.3569 14.3569 14.3701 14.3701 14.4923 14.4923 18.0469 18.0469 k = 0.5000-0.2221 0.4554 ( 4548 PWs) bands (ev): -64.4964 -64.4964 -34.2614 -34.2614 -33.0565 -33.0565 -33.0560 -33.0560 -0.5573 -0.5573 -0.5398 -0.5398 0.2573 0.2573 0.2960 0.2960 0.3359 0.3359 7.8043 7.8043 8.9288 8.9288 10.9827 10.9827 11.1337 11.1337 11.9359 11.9359 12.1141 12.1141 12.1698 12.1698 12.1928 12.1928 12.3588 12.3588 12.7729 12.7729 12.8926 12.8926 13.0069 13.0069 13.5141 13.5141 13.7226 13.7226 13.7445 13.7445 13.7823 13.7823 14.3513 14.3513 14.3691 14.3691 14.4878 14.4878 18.1091 18.1091 k = 0.5000-0.2110 0.4632 ( 4554 PWs) bands (ev): -64.4970 -64.4970 -34.2614 -34.2614 -33.0565 -33.0565 -33.0561 -33.0561 -0.5569 -0.5569 -0.5398 -0.5398 0.2576 0.2576 0.2963 0.2963 0.3354 0.3354 7.8109 7.8109 8.9475 8.9475 10.9437 10.9437 11.1234 11.1234 11.9293 11.9293 12.1169 12.1169 12.1752 12.1752 12.1812 12.1812 12.3592 12.3592 12.7308 12.7308 12.8743 12.8743 13.0026 13.0026 13.5346 13.5346 13.7372 13.7372 13.7542 13.7542 13.8068 13.8068 14.3464 14.3464 14.3693 14.3693 14.4853 14.4853 18.1823 18.1823 k = 0.5000-0.1999 0.4711 ( 4554 PWs) bands (ev): -64.4971 -64.4971 -34.2614 -34.2614 -33.0565 -33.0565 -33.0561 -33.0561 -0.5566 -0.5566 -0.5399 -0.5399 0.2580 0.2580 0.2966 0.2966 0.3349 0.3349 7.8182 7.8182 8.9690 8.9690 10.9011 10.9011 11.1116 11.1116 11.9230 11.9230 12.1195 12.1195 12.1541 12.1541 12.1936 12.1936 12.3605 12.3605 12.6887 12.6887 12.8585 12.8585 12.9982 12.9982 13.5517 13.5517 13.7418 13.7418 13.7781 13.7781 13.8381 13.8381 14.3409 14.3409 14.3707 14.3707 14.4815 14.4815 18.2655 18.2655 k = 0.5000-0.1887 0.4789 ( 4562 PWs) bands (ev): -64.4979 -64.4979 -34.2614 -34.2614 -33.0565 -33.0565 -33.0561 -33.0561 -0.5561 -0.5561 -0.5400 -0.5400 0.2584 0.2584 0.2970 0.2970 0.3342 0.3342 7.8261 7.8261 8.9933 8.9933 10.8533 10.8533 11.0982 11.0982 11.9169 11.9169 12.1209 12.1209 12.1300 12.1300 12.2063 12.2063 12.3618 12.3618 12.6479 12.6479 12.8450 12.8450 12.9937 12.9937 13.5651 13.5651 13.7429 13.7429 13.8044 13.8044 13.8710 13.8710 14.3319 14.3319 14.3697 14.3697 14.4754 14.4754 18.3584 18.3584 k = 0.5000-0.1776 0.4868 ( 4562 PWs) bands (ev): -64.4980 -64.4980 -34.2614 -34.2614 -33.0565 -33.0565 -33.0561 -33.0561 -0.5557 -0.5557 -0.5401 -0.5401 0.2587 0.2587 0.2974 0.2974 0.3335 0.3335 7.8348 7.8348 9.0204 9.0204 10.8029 10.8029 11.0834 11.0834 11.9119 11.9119 12.1030 12.1030 12.1234 12.1234 12.2207 12.2207 12.3619 12.3619 12.6101 12.6101 12.8336 12.8336 12.9891 12.9891 13.5765 13.5765 13.7433 13.7433 13.8342 13.8342 13.9017 13.9017 14.3269 14.3269 14.3714 14.3714 14.4700 14.4700 18.4611 18.4611 k = 0.5000-0.1665 0.4946 ( 4550 PWs) bands (ev): -64.4967 -64.4967 -34.2614 -34.2614 -33.0565 -33.0565 -33.0561 -33.0561 -0.5552 -0.5552 -0.5402 -0.5402 0.2591 0.2591 0.2979 0.2979 0.3328 0.3328 7.8443 7.8443 9.0501 9.0501 10.7496 10.7496 11.0674 11.0674 11.9081 11.9081 12.0752 12.0752 12.1269 12.1269 12.2356 12.2356 12.3596 12.3596 12.5768 12.5768 12.8243 12.8243 12.9843 12.9843 13.5866 13.5866 13.7434 13.7434 13.8659 13.8659 13.9325 13.9325 14.3237 14.3237 14.3775 14.3775 14.4705 14.4705 18.5739 18.5739 k = 0.5000-0.1554 0.5025 ( 4550 PWs) bands (ev): -64.4967 -64.4967 -34.2614 -34.2614 -33.0565 -33.0565 -33.0561 -33.0561 -0.5546 -0.5546 -0.5404 -0.5404 0.2595 0.2595 0.2984 0.2984 0.3320 0.3320 7.8538 7.8538 9.0826 9.0826 10.6930 10.6930 11.0500 11.0500 11.9049 11.9049 12.0469 12.0469 12.1282 12.1282 12.2502 12.2502 12.3531 12.3531 12.5495 12.5495 12.8169 12.8169 12.9794 12.9794 13.5952 13.5952 13.7432 13.7432 13.8959 13.8959 13.9625 13.9625 14.3190 14.3190 14.3774 14.3774 14.4631 14.4631 18.6943 18.6943 k = 0.5000-0.1443 0.5103 ( 4546 PWs) bands (ev): -64.4964 -64.4964 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5541 -0.5541 -0.5405 -0.5405 0.2599 0.2599 0.2990 0.2990 0.3311 0.3311 7.8636 7.8636 9.1176 9.1176 10.6339 10.6339 11.0317 11.0317 11.9025 11.9025 12.0190 12.0190 12.1304 12.1304 12.2640 12.2640 12.3421 12.3421 12.5294 12.5294 12.8111 12.8111 12.9745 12.9745 13.6031 13.6031 13.7428 13.7428 13.9254 13.9254 13.9906 13.9906 14.3143 14.3143 14.3802 14.3802 14.4568 14.4568 18.8233 18.8233 k = 0.5000-0.1332 0.5182 ( 4556 PWs) bands (ev): -64.4974 -64.4974 -34.2614 -34.2614 -33.0565 -33.0565 -33.0561 -33.0561 -0.5535 -0.5535 -0.5407 -0.5407 0.2603 0.2603 0.2997 0.2997 0.3302 0.3302 7.8735 7.8735 9.1552 9.1552 10.5720 10.5720 11.0124 11.0124 11.9002 11.9002 11.9921 11.9921 12.1305 12.1305 12.2747 12.2747 12.3276 12.3276 12.5161 12.5161 12.8066 12.8066 12.9696 12.9696 13.6097 13.6097 13.7422 13.7422 13.9512 13.9512 14.0163 14.0163 14.3047 14.3047 14.3775 14.3775 14.4471 14.4471 18.9596 18.9596 k = 0.5000-0.1221 0.5260 ( 4556 PWs) bands (ev): -64.4975 -64.4975 -34.2614 -34.2614 -33.0565 -33.0565 -33.0561 -33.0561 -0.5529 -0.5529 -0.5409 -0.5409 0.2606 0.2606 0.3005 0.3005 0.3292 0.3292 7.8834 7.8834 9.1954 9.1954 10.5088 10.5088 10.9928 10.9928 11.8986 11.8986 11.9679 11.9679 12.1312 12.1312 12.2775 12.2775 12.3175 12.3175 12.5087 12.5087 12.8034 12.8034 12.9648 12.9648 13.6164 13.6164 13.7414 13.7414 13.9769 13.9769 14.0419 14.0419 14.2977 14.2977 14.3777 14.3777 14.4407 14.4407 19.1036 19.1036 k = 0.5000-0.1110 0.5339 ( 4554 PWs) bands (ev): -64.4973 -64.4973 -34.2614 -34.2614 -33.0565 -33.0565 -33.0561 -33.0561 -0.5524 -0.5524 -0.5411 -0.5411 0.2610 0.2610 0.3013 0.3013 0.3282 0.3282 7.8933 7.8933 9.2380 9.2380 10.4441 10.4441 10.9730 10.9730 11.8962 11.8962 11.9479 11.9479 12.1309 12.1309 12.2646 12.2646 12.3208 12.3208 12.5052 12.5052 12.8012 12.8012 12.9601 12.9601 13.6228 13.6228 13.7404 13.7404 14.0011 14.0011 14.0682 14.0682 14.2903 14.2903 14.3773 14.3773 14.4353 14.4353 19.2546 19.2546 k = 0.5000-0.0999 0.5417 ( 4550 PWs) bands (ev): -64.4968 -64.4968 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5518 -0.5518 -0.5413 -0.5413 0.2613 0.2613 0.3021 0.3021 0.3272 0.3272 7.9028 7.9028 9.2830 9.2830 10.3785 10.3785 10.9534 10.9534 11.8909 11.8909 11.9342 11.9342 12.1293 12.1293 12.2446 12.2446 12.3312 12.3312 12.5040 12.5040 12.7998 12.7998 12.9556 12.9556 13.6292 13.6292 13.7393 13.7393 14.0243 14.0243 14.0926 14.0926 14.2850 14.2850 14.3758 14.3758 14.4302 14.4302 19.4117 19.4117 k = 0.5000-0.0888 0.5496 ( 4542 PWs) bands (ev): -64.4960 -64.4960 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5512 -0.5512 -0.5415 -0.5415 0.2616 0.2616 0.3030 0.3030 0.3261 0.3261 7.9120 7.9120 9.3303 9.3303 10.3126 10.3126 10.9346 10.9346 11.8809 11.8809 11.9287 11.9287 12.1259 12.1259 12.2250 12.2250 12.3422 12.3422 12.5041 12.5041 12.7990 12.7990 12.9513 12.9513 13.6358 13.6358 13.7380 13.7380 14.0484 14.0484 14.1163 14.1163 14.2753 14.2753 14.3757 14.3757 14.4294 14.4294 19.5749 19.5749 k = 0.5000-0.0777 0.5574 ( 4546 PWs) bands (ev): -64.4964 -64.4964 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5506 -0.5506 -0.5418 -0.5418 0.2618 0.2618 0.3040 0.3040 0.3250 0.3250 7.9204 7.9204 9.3796 9.3796 10.2456 10.2456 10.9167 10.9167 11.8678 11.8678 11.9289 11.9289 12.1186 12.1186 12.2080 12.2080 12.3531 12.3531 12.5046 12.5046 12.7986 12.7986 12.9474 12.9474 13.6413 13.6413 13.7364 13.7364 14.0676 14.0676 14.1358 14.1358 14.2637 14.2637 14.3706 14.3706 14.4253 14.4253 19.7426 19.7426 k = 0.5000-0.0666 0.5653 ( 4548 PWs) bands (ev): -64.4966 -64.4966 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5501 -0.5501 -0.5420 -0.5420 0.2620 0.2620 0.3049 0.3049 0.3239 0.3239 7.9280 7.9280 9.4312 9.4312 10.1787 10.1787 10.9001 10.9001 11.8545 11.8545 11.9328 11.9328 12.1073 12.1073 12.1955 12.1955 12.3634 12.3634 12.5053 12.5053 12.7985 12.7985 12.9438 12.9438 13.6469 13.6469 13.7348 13.7348 14.0877 14.0877 14.1536 14.1536 14.2535 14.2535 14.3632 14.3632 14.4215 14.4215 19.9140 19.9140 k = 0.5000-0.0555 0.5731 ( 4548 PWs) bands (ev): -64.4966 -64.4966 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5496 -0.5496 -0.5423 -0.5423 0.2622 0.2622 0.3058 0.3058 0.3229 0.3229 7.9347 7.9347 9.4848 9.4848 10.1117 10.1117 10.8854 10.8854 11.8426 11.8426 11.9396 11.9396 12.0929 12.0929 12.1876 12.1876 12.3729 12.3729 12.5059 12.5059 12.7986 12.7986 12.9407 12.9407 13.6517 13.6517 13.7331 13.7331 14.1039 14.1039 14.1696 14.1696 14.2462 14.2462 14.3556 14.3556 14.4203 14.4203 20.0882 20.0882 k = 0.5000-0.0444 0.5810 ( 4544 PWs) bands (ev): -64.4962 -64.4962 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5491 -0.5491 -0.5425 -0.5425 0.2624 0.2624 0.3068 0.3068 0.3219 0.3219 7.9405 7.9405 9.5402 9.5402 10.0452 10.0452 10.8729 10.8729 11.8336 11.8336 11.9479 11.9479 12.0766 12.0766 12.1830 12.1830 12.3810 12.3810 12.5063 12.5063 12.7988 12.7988 12.9381 12.9381 13.6561 13.6561 13.7316 13.7316 14.1196 14.1196 14.1881 14.1881 14.2379 14.2379 14.3488 14.3488 14.4198 14.4198 20.2630 20.2630 k = 0.5000-0.0333 0.5888 ( 4542 PWs) bands (ev): -64.4960 -64.4960 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5487 -0.5487 -0.5428 -0.5428 0.2625 0.2625 0.3076 0.3076 0.3210 0.3210 7.9451 7.9451 9.5971 9.5971 9.9794 9.9794 10.8629 10.8629 11.8260 11.8260 11.9572 11.9572 12.0598 12.0598 12.1806 12.1806 12.3876 12.3876 12.5066 12.5066 12.7991 12.7991 12.9360 12.9360 13.6597 13.6597 13.7301 13.7301 14.1331 14.1331 14.2020 14.2020 14.2292 14.2292 14.3426 14.3426 14.4205 14.4205 20.4339 20.4339 k = 0.5000-0.0222 0.5967 ( 4552 PWs) bands (ev): -64.4970 -64.4970 -34.2614 -34.2614 -33.0564 -33.0564 -33.0562 -33.0562 -0.5484 -0.5484 -0.5430 -0.5430 0.2626 0.2626 0.3083 0.3083 0.3203 0.3203 7.9484 7.9484 9.6549 9.6549 9.9149 9.9149 10.8555 10.8555 11.8192 11.8192 11.9666 11.9666 12.0438 12.0438 12.1791 12.1791 12.3922 12.3922 12.5065 12.5065 12.7993 12.7993 12.9345 12.9345 13.6621 13.6621 13.7287 13.7287 14.1427 14.1427 14.2053 14.2053 14.2181 14.2181 14.3355 14.3355 14.4200 14.4200 20.5919 20.5919 k = 0.5000-0.0111 0.6045 ( 4540 PWs) bands (ev): -64.4958 -64.4958 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5482 -0.5482 -0.5431 -0.5431 0.2626 0.2626 0.3087 0.3087 0.3198 0.3198 7.9504 7.9504 9.7124 9.7124 9.8542 9.8542 10.8510 10.8510 11.8164 11.8164 11.9762 11.9762 12.0319 12.0319 12.1790 12.1790 12.3956 12.3956 12.5068 12.5068 12.7995 12.7995 12.9335 12.9335 13.6646 13.6646 13.7282 13.7282 14.1552 14.1552 14.2150 14.2150 14.2165 14.2165 14.3326 14.3326 14.4213 14.4213 20.7168 20.7168 k = 0.5000-0.0000 0.6124 ( 4540 PWs) bands (ev): -64.4958 -64.4958 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5482 -0.5482 -0.5431 -0.5431 0.2626 0.2626 0.3089 0.3089 0.3196 0.3196 7.9511 7.9511 9.7502 9.7502 9.8151 9.8151 10.8495 10.8495 11.8153 11.8153 11.9804 11.9804 12.0265 12.0265 12.1788 12.1788 12.3966 12.3966 12.5067 12.5067 12.7995 12.7995 12.9332 12.9332 13.6651 13.6651 13.7279 13.7279 14.1581 14.1581 14.2141 14.2141 14.2176 14.2176 14.3309 14.3309 14.4212 14.4212 20.7680 20.7680 k = 0.5000-0.0000 0.6124 ( 4540 PWs) bands (ev): -64.4958 -64.4958 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5482 -0.5482 -0.5431 -0.5431 0.2626 0.2626 0.3089 0.3089 0.3196 0.3196 7.9511 7.9511 9.7502 9.7502 9.8151 9.8151 10.8495 10.8495 11.8153 11.8153 11.9804 11.9804 12.0265 12.0265 12.1788 12.1788 12.3966 12.3966 12.5067 12.5067 12.7995 12.7995 12.9332 12.9332 13.6651 13.6651 13.7279 13.7279 14.1581 14.1581 14.2141 14.2141 14.2176 14.2176 14.3309 14.3309 14.4212 14.4212 20.7680 20.7680 k = 0.4934 0.0114 0.6124 ( 4540 PWs) bands (ev): -64.4958 -64.4958 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5482 -0.5482 -0.5431 -0.5431 0.2626 0.2626 0.3088 0.3088 0.3197 0.3197 7.9497 7.9497 9.7293 9.7293 9.8353 9.8353 10.8524 10.8524 11.8146 11.8146 11.9783 11.9783 12.0295 12.0295 12.1792 12.1792 12.3965 12.3965 12.5072 12.5072 12.7989 12.7989 12.9331 12.9331 13.6649 13.6649 13.7281 13.7281 14.1549 14.1549 14.2080 14.2080 14.2253 14.2253 14.3349 14.3349 14.4221 14.4221 20.7261 20.7261 k = 0.4868 0.0228 0.6124 ( 4548 PWs) bands (ev): -64.4966 -64.4966 -34.2614 -34.2614 -33.0564 -33.0564 -33.0562 -33.0562 -0.5483 -0.5483 -0.5430 -0.5430 0.2626 0.2626 0.3085 0.3085 0.3200 0.3200 7.9458 7.9458 9.6937 9.6937 9.8677 9.8677 10.8614 10.8614 11.8122 11.8122 11.9721 11.9721 12.0371 12.0371 12.1798 12.1798 12.3958 12.3958 12.5086 12.5086 12.7968 12.7968 12.9325 12.9325 13.6641 13.6641 13.7284 13.7284 14.1395 14.1395 14.2029 14.2029 14.2363 14.2363 14.3433 14.3433 14.4231 14.4231 20.5992 20.5992 k = 0.4803 0.0342 0.6124 ( 4546 PWs) bands (ev): -64.4964 -64.4964 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5484 -0.5484 -0.5429 -0.5429 0.2627 0.2627 0.3081 0.3081 0.3204 0.3204 7.9400 7.9400 9.6573 9.6573 9.8984 9.8984 10.8766 10.8766 11.8095 11.8095 11.9645 11.9645 12.0489 12.0489 12.1808 12.1808 12.3952 12.3952 12.5113 12.5113 12.7933 12.7933 12.9316 12.9316 13.6637 13.6637 13.7290 13.7290 14.1210 14.1210 14.2101 14.2101 14.2537 14.2537 14.3549 14.3549 14.4242 14.4242 20.4207 20.4207 k = 0.4737 0.0456 0.6124 ( 4541 PWs) bands (ev): -64.4959 -64.4959 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5486 -0.5486 -0.5428 -0.5428 0.2627 0.2627 0.3075 0.3075 0.3209 0.3209 7.9327 7.9327 9.6219 9.6219 9.9245 9.9245 10.8979 10.8979 11.8058 11.8058 11.9558 11.9558 12.0629 12.0629 12.1852 12.1852 12.3939 12.3939 12.5150 12.5150 12.7884 12.7884 12.9304 12.9304 13.6632 13.6632 13.7296 13.7296 14.0969 14.0969 14.2185 14.2185 14.2742 14.2742 14.3697 14.3697 14.4323 14.4323 20.2224 20.2224 k = 0.4671 0.0570 0.6124 ( 4545 PWs) bands (ev): -64.4963 -64.4963 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5488 -0.5488 -0.5427 -0.5427 0.2627 0.2627 0.3069 0.3069 0.3215 0.3215 7.9244 7.9244 9.5881 9.5881 9.9451 9.9451 10.9242 10.9242 11.8006 11.8006 11.9464 11.9464 12.0777 12.0777 12.1898 12.1898 12.3921 12.3921 12.5195 12.5195 12.7820 12.7820 12.9287 12.9287 13.6620 13.6620 13.7298 13.7298 14.0722 14.0722 14.2271 14.2271 14.2929 14.2929 14.3833 14.3833 14.4391 14.4391 20.0185 20.0185 k = 0.4605 0.0684 0.6124 ( 4547 PWs) bands (ev): -64.4965 -64.4965 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5491 -0.5491 -0.5425 -0.5425 0.2627 0.2627 0.3062 0.3062 0.3221 0.3221 7.9156 7.9156 9.5563 9.5563 9.9610 9.9610 10.9548 10.9548 11.7944 11.7944 11.9369 11.9369 12.0934 12.0934 12.1955 12.1955 12.3898 12.3898 12.5250 12.5250 12.7744 12.7744 12.9268 12.9268 13.6612 13.6612 13.7300 13.7300 14.0469 14.0469 14.2359 14.2359 14.3129 14.3129 14.3995 14.3995 14.4505 14.4505 19.8161 19.8161 k = 0.4539 0.0798 0.6124 ( 4551 PWs) bands (ev): -64.4969 -64.4969 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5494 -0.5494 -0.5424 -0.5424 0.2628 0.2628 0.3055 0.3055 0.3228 0.3228 7.9063 7.9063 9.5266 9.5266 9.9722 9.9722 10.9887 10.9887 11.7878 11.7878 11.9278 11.9278 12.1088 12.1088 12.2029 12.2029 12.3871 12.3871 12.5310 12.5310 12.7655 12.7655 12.9246 12.9246 13.6601 13.6601 13.7298 13.7298 14.0220 14.0220 14.2457 14.2457 14.3302 14.3302 14.4128 14.4128 14.4685 14.4685 19.6177 19.6177 k = 0.4474 0.0912 0.6124 ( 4551 PWs) bands (ev): -64.4969 -64.4969 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5496 -0.5496 -0.5422 -0.5422 0.2628 0.2628 0.3047 0.3047 0.3234 0.3234 7.8972 7.8972 9.4991 9.4991 9.9797 9.9797 11.0245 11.0245 11.7809 11.7809 11.9190 11.9190 12.1237 12.1237 12.2123 12.2123 12.3842 12.3842 12.5373 12.5373 12.7556 12.7556 12.9222 12.9222 13.6593 13.6593 13.7296 13.7296 13.9989 13.9989 14.2560 14.2560 14.3479 14.3479 14.4228 14.4228 14.4972 14.4972 19.4260 19.4260 k = 0.4408 0.1026 0.6124 ( 4549 PWs) bands (ev): -64.4967 -64.4967 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5499 -0.5499 -0.5420 -0.5420 0.2629 0.2629 0.3040 0.3040 0.3241 0.3241 7.8882 7.8882 9.4739 9.4739 9.9839 9.9839 11.0611 11.0611 11.7736 11.7736 11.9112 11.9112 12.1370 12.1370 12.2239 12.2239 12.3814 12.3814 12.5437 12.5437 12.7449 12.7449 12.9197 12.9197 13.6587 13.6587 13.7293 13.7293 13.9775 13.9775 14.2696 14.2696 14.3628 14.3628 14.4296 14.4296 14.5339 14.5339 19.2418 19.2418 k = 0.4342 0.1140 0.6124 ( 4553 PWs) bands (ev): -64.4971 -64.4971 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5501 -0.5501 -0.5419 -0.5419 0.2630 0.2630 0.3033 0.3033 0.3246 0.3246 7.8795 7.8795 9.4508 9.4508 9.9860 9.9860 11.0973 11.0973 11.7658 11.7658 11.9028 11.9028 12.1485 12.1485 12.2378 12.2378 12.3779 12.3779 12.5497 12.5497 12.7337 12.7337 12.9172 12.9172 13.6580 13.6580 13.7286 13.7286 13.9555 13.9555 14.2770 14.2770 14.3751 14.3751 14.4347 14.4347 14.5763 14.5763 19.0675 19.0675 k = 0.4276 0.1253 0.6124 ( 4551 PWs) bands (ev): -64.4969 -64.4969 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5504 -0.5504 -0.5417 -0.5417 0.2630 0.2630 0.3027 0.3027 0.3252 0.3252 7.8715 7.8715 9.4301 9.4301 9.9862 9.9862 11.1324 11.1324 11.7581 11.7581 11.8959 11.8959 12.1581 12.1581 12.2535 12.2535 12.3751 12.3751 12.5550 12.5550 12.7224 12.7224 12.9147 12.9147 13.6572 13.6572 13.7279 13.7279 13.9375 13.9375 14.2892 14.2892 14.3852 14.3852 14.4384 14.4384 14.6238 14.6238 18.9040 18.9040 k = 0.4211 0.1367 0.6124 ( 4551 PWs) bands (ev): -64.4970 -64.4970 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5506 -0.5506 -0.5416 -0.5416 0.2631 0.2631 0.3021 0.3021 0.3257 0.3257 7.8641 7.8641 9.4118 9.4118 9.9852 9.9852 11.1652 11.1652 11.7507 11.7507 11.8894 11.8894 12.1662 12.1662 12.2705 12.2705 12.3721 12.3721 12.5591 12.5591 12.7113 12.7113 12.9124 12.9124 13.6568 13.6568 13.7271 13.7271 13.9206 13.9206 14.2982 14.2982 14.3934 14.3934 14.4426 14.4426 14.6718 14.6718 18.7530 18.7530 k = 0.4145 0.1481 0.6124 ( 4546 PWs) bands (ev): -64.4964 -64.4964 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5508 -0.5508 -0.5415 -0.5415 0.2632 0.2632 0.3016 0.3016 0.3262 0.3262 7.8576 7.8576 9.3958 9.3958 9.9839 9.9839 11.1955 11.1955 11.7439 11.7439 11.8834 11.8834 12.1728 12.1728 12.2882 12.2882 12.3696 12.3696 12.5617 12.5617 12.7012 12.7012 12.9102 12.9102 13.6565 13.6565 13.7264 13.7264 13.9083 13.9083 14.3063 14.3063 14.4020 14.4020 14.4476 14.4476 14.7204 14.7204 18.6174 18.6174 k = 0.4079 0.1595 0.6124 ( 4548 PWs) bands (ev): -64.4966 -64.4966 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5509 -0.5509 -0.5414 -0.5414 0.2633 0.2633 0.3011 0.3011 0.3266 0.3266 7.8518 7.8518 9.3822 9.3822 9.9818 9.9818 11.2220 11.2220 11.7372 11.7372 11.8784 11.8784 12.1779 12.1779 12.3048 12.3048 12.3678 12.3678 12.5624 12.5624 12.6922 12.6922 12.9083 12.9083 13.6562 13.6562 13.7254 13.7254 13.8953 13.8953 14.3136 14.3136 14.4055 14.4055 14.4504 14.4504 14.7658 14.7658 18.4965 18.4965 k = 0.4013 0.1709 0.6124 ( 4554 PWs) bands (ev): -64.4973 -64.4973 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5511 -0.5511 -0.5413 -0.5413 0.2633 0.2633 0.3007 0.3007 0.3269 0.3269 7.8470 7.8470 9.3711 9.3711 9.9796 9.9796 11.2439 11.2439 11.7309 11.7309 11.8741 11.8741 12.1822 12.1822 12.3196 12.3196 12.3670 12.3670 12.5611 12.5611 12.6849 12.6849 12.9067 12.9067 13.6549 13.6549 13.7242 13.7242 13.8832 13.8832 14.3193 14.3193 14.4072 14.4072 14.4527 14.4527 14.8055 14.8055 18.3929 18.3929 k = 0.3947 0.1823 0.6124 ( 4540 PWs) bands (ev): -64.4958 -64.4958 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5512 -0.5512 -0.5413 -0.5413 0.2634 0.2634 0.3004 0.3004 0.3272 0.3272 7.8434 7.8434 9.3626 9.3626 9.9782 9.9782 11.2623 11.2623 11.7262 11.7262 11.8716 11.8716 12.1867 12.1867 12.3316 12.3316 12.3689 12.3689 12.5584 12.5584 12.6798 12.6798 12.9054 12.9054 13.6561 13.6561 13.7241 13.7241 13.8787 13.8787 14.3283 14.3283 14.4129 14.4129 14.4591 14.4591 14.8421 14.8421 18.3115 18.3115 k = 0.3882 0.1937 0.6124 ( 4538 PWs) bands (ev): -64.4956 -64.4956 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5513 -0.5513 -0.5412 -0.5412 0.2634 0.2634 0.3001 0.3001 0.3273 0.3273 7.8406 7.8406 9.3564 9.3564 9.9769 9.9769 11.2759 11.2759 11.7226 11.7226 11.8692 11.8692 12.1893 12.1893 12.3387 12.3387 12.3722 12.3722 12.5550 12.5550 12.6765 12.6765 12.9045 12.9045 13.6561 13.6561 13.7236 13.7236 13.8733 13.8733 14.3319 14.3319 14.4149 14.4149 14.4620 14.4620 14.8686 14.8686 18.2518 18.2518 k = 0.3816 0.2051 0.6124 ( 4534 PWs) bands (ev): -64.4951 -64.4951 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5513 -0.5513 -0.5412 -0.5412 0.2635 0.2635 0.3000 0.3000 0.3275 0.3275 7.8390 7.8390 9.3527 9.3527 9.9761 9.9761 11.2842 11.2842 11.7205 11.7205 11.8680 11.8680 12.1908 12.1908 12.3420 12.3420 12.3760 12.3760 12.5522 12.5522 12.6747 12.6747 12.9039 12.9039 13.6569 13.6569 13.7234 13.7234 13.8704 13.8704 14.3354 14.3354 14.4162 14.4162 14.4642 14.4642 14.8858 14.8858 18.2154 18.2154 k = 0.3750 0.2165 0.6124 ( 4538 PWs) bands (ev): -64.4956 -64.4956 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5513 -0.5513 -0.5412 -0.5412 0.2635 0.2635 0.3000 0.3000 0.3275 0.3275 7.8384 7.8384 9.3514 9.3514 9.9757 9.9757 11.2866 11.2866 11.7194 11.7194 11.8673 11.8673 12.1912 12.1912 12.3428 12.3428 12.3774 12.3774 12.5511 12.5511 12.6740 12.6740 12.9037 12.9037 13.6561 13.6561 13.7231 13.7231 13.8685 13.8685 14.3350 14.3350 14.4157 14.4157 14.4637 14.4637 14.8907 14.8907 18.2024 18.2024 k = 0.3750 0.2165 0.6124 ( 4538 PWs) bands (ev): -64.4956 -64.4956 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5513 -0.5513 -0.5412 -0.5412 0.2635 0.2635 0.3000 0.3000 0.3275 0.3275 7.8384 7.8384 9.3514 9.3514 9.9757 9.9757 11.2866 11.2866 11.7194 11.7194 11.8673 11.8673 12.1912 12.1912 12.3428 12.3428 12.3774 12.3774 12.5511 12.5511 12.6740 12.6740 12.9037 12.9037 13.6561 13.6561 13.7231 13.7231 13.8685 13.8685 14.3350 14.3350 14.4157 14.4157 14.4637 14.4637 14.8907 14.8907 18.2024 18.2024 k = 0.3682 0.2126 0.6012 ( 4538 PWs) bands (ev): -64.4956 -64.4956 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5509 -0.5509 -0.5414 -0.5414 0.2640 0.2640 0.3003 0.3003 0.3268 0.3268 7.8234 7.8234 9.4023 9.4023 9.8996 9.8996 11.3012 11.3012 11.6791 11.6791 11.8645 11.8645 12.1959 12.1959 12.3429 12.3429 12.3841 12.3841 12.5348 12.5348 12.6846 12.6846 12.8923 12.8923 13.6653 13.6653 13.7232 13.7232 13.8834 13.8834 14.3321 14.3321 14.4262 14.4262 14.4719 14.4719 14.9930 14.9930 18.2083 18.2083 k = 0.3614 0.2086 0.5901 ( 4544 PWs) bands (ev): -64.4962 -64.4962 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5504 -0.5504 -0.5415 -0.5415 0.2644 0.2644 0.3005 0.3005 0.3261 0.3261 7.8022 7.8022 9.4552 9.4552 9.8301 9.8301 11.3164 11.3164 11.6393 11.6393 11.8629 11.8629 12.1993 12.1993 12.3370 12.3370 12.3969 12.3969 12.5190 12.5190 12.6951 12.6951 12.8809 12.8809 13.6715 13.6715 13.7252 13.7252 13.8950 13.8950 14.3296 14.3296 14.4345 14.4345 14.4827 14.4827 15.0968 15.0968 18.2134 18.2134 k = 0.3545 0.2047 0.5790 ( 4540 PWs) bands (ev): -64.4959 -64.4959 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5500 -0.5500 -0.5417 -0.5417 0.2649 0.2649 0.3007 0.3007 0.3255 0.3255 7.7742 7.7742 9.5097 9.5097 9.7695 9.7695 11.3318 11.3318 11.6005 11.6005 11.8617 11.8617 12.2030 12.2030 12.3307 12.3307 12.4106 12.4106 12.5044 12.5044 12.7052 12.7052 12.8698 12.8698 13.6746 13.6746 13.7314 13.7314 13.9152 13.9152 14.3250 14.3250 14.4437 14.4437 14.5020 14.5020 15.2029 15.2029 18.2204 18.2204 k = 0.3477 0.2008 0.5678 ( 4536 PWs) bands (ev): -64.4955 -64.4955 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5496 -0.5496 -0.5419 -0.5419 0.2653 0.2653 0.3009 0.3009 0.3250 0.3250 7.7387 7.7387 9.5644 9.5644 9.7196 9.7196 11.3479 11.3479 11.5625 11.5625 11.8615 11.8615 12.2057 12.2057 12.3247 12.3247 12.4224 12.4224 12.4926 12.4926 12.7142 12.7142 12.8592 12.8592 13.6738 13.6738 13.7402 13.7402 13.9355 13.9355 14.3211 14.3211 14.4547 14.4547 14.5254 14.5254 15.3102 15.3102 18.2279 18.2279 k = 0.3409 0.1968 0.5567 ( 4528 PWs) bands (ev): -64.4946 -64.4946 -34.2613 -34.2613 -33.0563 -33.0563 -33.0560 -33.0560 -0.5493 -0.5493 -0.5421 -0.5421 0.2656 0.2656 0.3010 0.3010 0.3245 0.3245 7.6954 7.6954 9.6115 9.6115 9.6889 9.6889 11.3642 11.3642 11.5261 11.5261 11.8622 11.8622 12.2079 12.2079 12.3195 12.3195 12.4279 12.4279 12.4873 12.4873 12.7219 12.7219 12.8494 12.8494 13.6708 13.6708 13.7531 13.7531 13.9563 13.9563 14.3170 14.3170 14.4683 14.4683 14.5537 14.5537 15.4202 15.4202 18.2357 18.2357 k = 0.3341 0.1929 0.5456 ( 4528 PWs) bands (ev): -64.4947 -64.4947 -34.2613 -34.2613 -33.0563 -33.0563 -33.0560 -33.0560 -0.5490 -0.5490 -0.5422 -0.5422 0.2659 0.2659 0.3010 0.3010 0.3241 0.3241 7.6439 7.6439 9.6179 9.6179 9.7106 9.7106 11.3807 11.3807 11.4903 11.4903 11.8635 11.8635 12.2088 12.2088 12.3143 12.3143 12.4238 12.4238 12.4917 12.4917 12.7278 12.7278 12.8404 12.8404 13.6655 13.6655 13.7654 13.7654 13.9725 13.9725 14.3123 14.3123 14.4846 14.4846 14.5839 14.5839 15.5302 15.5302 18.2434 18.2434 k = 0.3273 0.1890 0.5344 ( 4528 PWs) bands (ev): -64.4947 -64.4947 -34.2613 -34.2613 -33.0563 -33.0563 -33.0560 -33.0560 -0.5488 -0.5488 -0.5424 -0.5424 0.2661 0.2661 0.3010 0.3010 0.3237 0.3237 7.5845 7.5845 9.6018 9.6018 9.7668 9.7668 11.3972 11.3972 11.4558 11.4558 11.8656 11.8656 12.2088 12.2088 12.3096 12.3096 12.4128 12.4128 12.5030 12.5030 12.7321 12.7321 12.8327 12.8327 13.6591 13.6591 13.7785 13.7785 13.9879 13.9879 14.3073 14.3073 14.5049 14.5049 14.6173 14.6173 15.6416 15.6416 18.2518 18.2518 k = 0.3205 0.1850 0.5233 ( 4528 PWs) bands (ev): -64.4947 -64.4947 -34.2613 -34.2613 -33.0563 -33.0563 -33.0560 -33.0560 -0.5487 -0.5487 -0.5425 -0.5425 0.2663 0.2663 0.3009 0.3009 0.3234 0.3234 7.5178 7.5178 9.5899 9.5899 9.8302 9.8302 11.4124 11.4124 11.4241 11.4241 11.8684 11.8684 12.2078 12.2078 12.3053 12.3053 12.3987 12.3987 12.5172 12.5172 12.7349 12.7349 12.8261 12.8261 13.6519 13.6519 13.7921 13.7921 14.0024 14.0024 14.3019 14.3019 14.5298 14.5298 14.6539 14.6539 15.7543 15.7543 18.2610 18.2610 k = 0.3136 0.1811 0.5122 ( 4540 PWs) bands (ev): -64.4959 -64.4959 -34.2613 -34.2613 -33.0564 -33.0564 -33.0560 -33.0560 -0.5486 -0.5486 -0.5427 -0.5427 0.2664 0.2664 0.3008 0.3008 0.3232 0.3232 7.4442 7.4442 9.5858 9.5858 9.8962 9.8962 11.3884 11.3884 11.4317 11.4317 11.8714 11.8714 12.2045 12.2045 12.3006 12.3006 12.3836 12.3836 12.5325 12.5325 12.7364 12.7364 12.8206 12.8206 13.6431 13.6431 13.8024 13.8024 14.0141 14.0141 14.2947 14.2947 14.5590 14.5590 14.6879 14.6879 15.8661 15.8661 18.2706 18.2706 k = 0.3068 0.1771 0.5010 ( 4540 PWs) bands (ev): -64.4960 -64.4960 -34.2613 -34.2613 -33.0564 -33.0564 -33.0560 -33.0560 -0.5486 -0.5486 -0.5428 -0.5428 0.2664 0.2664 0.3006 0.3006 0.3230 0.3230 7.3647 7.3647 9.5899 9.5899 9.9647 9.9647 11.3579 11.3579 11.4482 11.4482 11.8756 11.8756 12.2010 12.2010 12.2962 12.2962 12.3688 12.3688 12.5480 12.5480 12.7375 12.7375 12.8161 12.8161 13.6348 13.6348 13.8164 13.8164 14.0260 14.0260 14.2884 14.2884 14.5938 14.5938 14.7306 14.7306 15.9811 15.9811 18.2816 18.2816 k = 0.3000 0.1732 0.4899 ( 4548 PWs) bands (ev): -64.4968 -64.4968 -34.2613 -34.2613 -33.0564 -33.0564 -33.0560 -33.0560 -0.5487 -0.5487 -0.5429 -0.5429 0.2664 0.2664 0.3004 0.3004 0.3229 0.3229 7.2801 7.2801 9.6015 9.6015 10.0345 10.0345 11.3281 11.3281 11.4646 11.4646 11.8799 11.8799 12.1951 12.1951 12.2905 12.2905 12.3553 12.3553 12.5633 12.5633 12.7383 12.7383 12.8123 12.8123 13.6257 13.6257 13.8287 13.8287 14.0353 14.0353 14.2800 14.2800 14.6335 14.6335 14.7728 14.7728 16.0962 16.0962 18.2933 18.2933 k = 0.2932 0.1693 0.4788 ( 4546 PWs) bands (ev): -64.4966 -64.4966 -34.2613 -34.2613 -33.0564 -33.0564 -33.0560 -33.0560 -0.5489 -0.5489 -0.5430 -0.5430 0.2663 0.2663 0.3002 0.3002 0.3227 0.3227 7.1915 7.1915 9.6199 9.6199 10.1061 10.1061 11.3005 11.3005 11.4808 11.4808 11.8855 11.8855 12.1883 12.1883 12.2833 12.2833 12.3448 12.3448 12.5781 12.5781 12.7400 12.7400 12.8091 12.8091 13.6171 13.6171 13.8436 13.8436 14.0459 14.0459 14.2729 14.2729 14.6784 14.6784 14.8216 14.8216 16.2139 16.2139 18.3066 18.3066 k = 0.2864 0.1653 0.4676 ( 4532 PWs) bands (ev): -64.4951 -64.4951 -34.2613 -34.2613 -33.0563 -33.0563 -33.0560 -33.0560 -0.5491 -0.5491 -0.5431 -0.5431 0.2661 0.2661 0.2999 0.2999 0.3226 0.3226 7.0995 7.0995 9.6449 9.6449 10.1791 10.1791 11.2744 11.2744 11.4977 11.4977 11.8928 11.8928 12.1802 12.1802 12.2731 12.2731 12.3387 12.3387 12.5926 12.5926 12.7430 12.7430 12.8068 12.8068 13.6087 13.6087 13.8595 13.8595 14.0573 14.0573 14.2687 14.2687 14.7332 14.7332 14.8757 14.8757 16.3328 16.3328 18.3225 18.3225 k = 0.2795 0.1614 0.4565 ( 4540 PWs) bands (ev): -64.4959 -64.4959 -34.2613 -34.2613 -33.0563 -33.0563 -33.0560 -33.0560 -0.5493 -0.5493 -0.5433 -0.5433 0.2658 0.2658 0.2996 0.2996 0.3225 0.3225 7.0050 7.0050 9.6747 9.6747 10.2527 10.2527 11.2491 11.2491 11.5130 11.5130 11.8988 11.8988 12.1693 12.1693 12.2588 12.2588 12.3368 12.3368 12.6054 12.6054 12.7466 12.7466 12.8042 12.8042 13.5994 13.5994 13.8727 13.8727 14.0603 14.0603 14.2583 14.2583 14.7869 14.7869 14.9285 14.9285 16.4513 16.4513 18.3380 18.3380 k = 0.2727 0.1575 0.4454 ( 4540 PWs) bands (ev): -64.4959 -64.4959 -34.2613 -34.2613 -33.0563 -33.0563 -33.0560 -33.0560 -0.5496 -0.5496 -0.5434 -0.5434 0.2655 0.2655 0.2993 0.2993 0.3224 0.3224 6.9087 6.9087 9.7092 9.7092 10.3272 10.3272 11.2260 11.2260 11.5277 11.5277 11.9063 11.9063 12.1569 12.1569 12.2421 12.2421 12.3389 12.3389 12.6171 12.6171 12.7519 12.7519 12.8020 12.8020 13.5906 13.5906 13.8889 13.8889 14.0657 14.0657 14.2499 14.2499 14.8447 14.8447 14.9854 14.9854 16.5718 16.5718 18.3551 18.3551 k = 0.2659 0.1535 0.4342 ( 4538 PWs) bands (ev): -64.4957 -64.4957 -34.2613 -34.2613 -33.0563 -33.0563 -33.0559 -33.0559 -0.5500 -0.5500 -0.5436 -0.5436 0.2651 0.2651 0.2990 0.2990 0.3222 0.3222 6.8113 6.8113 9.7478 9.7478 10.4024 10.4024 11.2038 11.2038 11.5418 11.5418 11.9143 11.9143 12.1433 12.1433 12.2239 12.2239 12.3440 12.3440 12.6278 12.6278 12.7592 12.7592 12.8008 12.8008 13.5820 13.5820 13.9030 13.9030 14.0728 14.0728 14.2409 14.2409 14.9070 14.9070 15.0463 15.0463 16.6923 16.6923 18.3743 18.3743 k = 0.2591 0.1496 0.4231 ( 4548 PWs) bands (ev): -64.4968 -64.4968 -34.2613 -34.2613 -33.0563 -33.0563 -33.0560 -33.0560 -0.5503 -0.5503 -0.5438 -0.5438 0.2647 0.2647 0.2987 0.2987 0.3220 0.3220 6.7132 6.7132 9.7897 9.7897 10.4774 10.4774 11.1819 11.1819 11.5550 11.5550 11.9219 11.9219 12.1273 12.1273 12.2042 12.2042 12.3511 12.3511 12.6371 12.6371 12.7682 12.7682 12.8004 12.8004 13.5727 13.5727 13.9126 13.9126 14.0785 14.0785 14.2290 14.2290 14.9724 14.9724 15.1054 15.1054 16.8113 16.8113 18.3949 18.3949 k = 0.2523 0.1456 0.4120 ( 4548 PWs) bands (ev): -64.4967 -64.4967 -34.2613 -34.2613 -33.0563 -33.0563 -33.0559 -33.0559 -0.5507 -0.5507 -0.5440 -0.5440 0.2642 0.2642 0.2984 0.2984 0.3218 0.3218 6.6151 6.6151 9.8346 9.8346 10.5530 10.5530 11.1627 11.1627 11.5673 11.5673 11.9309 11.9309 12.1118 12.1118 12.1842 12.1842 12.3596 12.3596 12.6453 12.6453 12.7789 12.7789 12.8007 12.8007 13.5645 13.5645 13.9265 13.9265 14.0825 14.0825 14.2190 14.2190 15.0417 15.0417 15.1723 15.1723 16.9328 16.9328 18.4175 18.4175 k = 0.2455 0.1417 0.4008 ( 4560 PWs) bands (ev): -64.4980 -64.4980 -34.2613 -34.2613 -33.0564 -33.0564 -33.0560 -33.0560 -0.5511 -0.5511 -0.5443 -0.5443 0.2636 0.2636 0.2981 0.2981 0.3215 0.3215 6.5173 6.5173 9.8819 9.8819 10.6282 10.6282 11.1446 11.1446 11.5781 11.5781 11.9385 11.9385 12.0954 12.0954 12.1636 12.1636 12.3683 12.3683 12.6520 12.6520 12.7906 12.7906 12.8015 12.8015 13.5563 13.5563 13.9386 13.9386 14.0820 14.0820 14.2047 14.2047 15.1122 15.1122 15.2408 15.2408 17.0540 17.0540 18.4417 18.4417 k = 0.2386 0.1378 0.3897 ( 4560 PWs) bands (ev): -64.4980 -64.4980 -34.2613 -34.2613 -33.0563 -33.0563 -33.0559 -33.0559 -0.5516 -0.5516 -0.5446 -0.5446 0.2630 0.2630 0.2978 0.2978 0.3211 0.3211 6.4202 6.4202 9.9313 9.9313 10.7029 10.7029 11.1283 11.1283 11.5883 11.5883 11.9480 11.9480 12.0797 12.0797 12.1428 12.1428 12.3780 12.3780 12.6591 12.6591 12.8031 12.8031 12.8049 12.8049 13.5489 13.5489 13.9523 13.9523 14.0856 14.0856 14.1937 14.1937 15.1875 15.1875 15.3138 15.3138 17.1761 17.1761 18.4685 18.4685 k = 0.2318 0.1338 0.3786 ( 4562 PWs) bands (ev): -64.4982 -64.4982 -34.2613 -34.2613 -33.0563 -33.0563 -33.0559 -33.0559 -0.5520 -0.5520 -0.5449 -0.5449 0.2624 0.2624 0.2975 0.2975 0.3207 0.3207 6.3240 6.3240 9.9823 9.9823 10.7764 10.7764 11.1132 11.1132 11.5973 11.5973 11.9574 11.9574 12.0644 12.0644 12.1218 12.1218 12.3876 12.3876 12.6666 12.6666 12.8078 12.8078 12.8185 12.8185 13.5416 13.5416 13.9651 13.9651 14.0886 14.0886 14.1823 14.1823 15.2651 15.2651 15.3889 15.3889 17.2980 17.2980 18.4975 18.4975 k = 0.2250 0.1299 0.3674 ( 4565 PWs) bands (ev): -64.4985 -64.4985 -34.2613 -34.2613 -33.0563 -33.0563 -33.0559 -33.0559 -0.5524 -0.5524 -0.5453 -0.5453 0.2617 0.2617 0.2973 0.2973 0.3202 0.3202 6.2292 6.2292 10.0345 10.0345 10.8484 10.8484 11.0996 11.0996 11.6051 11.6051 11.9664 11.9664 12.0508 12.0508 12.1006 12.1006 12.3962 12.3962 12.6750 12.6750 12.8131 12.8131 12.8336 12.8336 13.5348 13.5348 13.9770 13.9770 14.0909 14.0909 14.1701 14.1701 15.3454 15.3454 15.4674 15.4674 17.4195 17.4195 18.5289 18.5289 k = 0.2182 0.1260 0.3563 ( 4563 PWs) bands (ev): -64.4983 -64.4983 -34.2612 -34.2612 -33.0563 -33.0563 -33.0559 -33.0559 -0.5529 -0.5529 -0.5457 -0.5457 0.2610 0.2610 0.2970 0.2970 0.3196 0.3196 6.1359 6.1359 10.0877 10.0877 10.9181 10.9181 11.0883 11.0883 11.6120 11.6120 11.9745 11.9745 12.0402 12.0402 12.0794 12.0794 12.4041 12.4041 12.6852 12.6852 12.8204 12.8204 12.8494 12.8494 13.5286 13.5286 13.9915 13.9915 14.0932 14.0932 14.1582 14.1582 15.4294 15.4294 15.5490 15.5490 17.5418 17.5418 18.5629 18.5629 k = 0.2114 0.1220 0.3452 ( 4559 PWs) bands (ev): -64.4979 -64.4979 -34.2612 -34.2612 -33.0563 -33.0563 -33.0559 -33.0559 -0.5534 -0.5534 -0.5462 -0.5462 0.2603 0.2603 0.2968 0.2968 0.3190 0.3190 6.0443 6.0443 10.1416 10.1416 10.9849 10.9849 11.0788 11.0788 11.6175 11.6175 11.9804 11.9804 12.0349 12.0349 12.0585 12.0585 12.4105 12.4105 12.6971 12.6971 12.8295 12.8295 12.8657 12.8657 13.5235 13.5235 14.0045 14.0045 14.0970 14.0970 14.1452 14.1452 15.5148 15.5148 15.6368 15.6368 17.6631 17.6631 18.5996 18.5996 k = 0.2045 0.1181 0.3340 ( 4555 PWs) bands (ev): -64.4974 -64.4974 -34.2612 -34.2612 -33.0562 -33.0562 -33.0558 -33.0558 -0.5538 -0.5538 -0.5467 -0.5467 0.2595 0.2595 0.2966 0.2966 0.3183 0.3183 5.9546 5.9546 10.1961 10.1961 11.0428 11.0428 11.0764 11.0764 11.6222 11.6222 11.9832 11.9832 12.0312 12.0312 12.0416 12.0416 12.4140 12.4140 12.7104 12.7104 12.8404 12.8404 12.8822 12.8822 13.5188 13.5188 14.0192 14.0192 14.1002 14.1002 14.1319 14.1319 15.6027 15.6027 15.7269 15.7269 17.7842 17.7842 18.6393 18.6393 k = 0.1977 0.1142 0.3229 ( 4555 PWs) bands (ev): -64.4974 -64.4974 -34.2612 -34.2612 -33.0562 -33.0562 -33.0558 -33.0558 -0.5543 -0.5543 -0.5472 -0.5472 0.2588 0.2588 0.2963 0.2963 0.3175 0.3175 5.8670 5.8670 10.2504 10.2504 11.0558 11.0558 11.1150 11.1150 11.6250 11.6250 11.9835 11.9835 12.0136 12.0136 12.0437 12.0437 12.4166 12.4166 12.7256 12.7256 12.8541 12.8541 12.8991 12.8991 13.5142 13.5142 14.0316 14.0316 14.1035 14.1035 14.1182 14.1182 15.6918 15.6918 15.8182 15.8182 17.9032 17.9032 18.6813 18.6813 k = 0.1909 0.1102 0.3118 ( 4555 PWs) bands (ev): -64.4974 -64.4974 -34.2612 -34.2612 -33.0562 -33.0562 -33.0558 -33.0558 -0.5548 -0.5548 -0.5478 -0.5478 0.2580 0.2580 0.2961 0.2961 0.3167 0.3167 5.7817 5.7817 10.3043 10.3043 11.0514 11.0514 11.1672 11.1672 11.6265 11.6265 11.9835 11.9835 11.9938 11.9938 12.0514 12.0514 12.4185 12.4185 12.7424 12.7424 12.8713 12.8713 12.9162 12.9162 13.5104 13.5104 14.0443 14.0443 14.0981 14.0981 14.1102 14.1102 15.7831 15.7831 15.9135 15.9135 18.0208 18.0208 18.7262 18.7262 k = 0.1841 0.1063 0.3006 ( 4563 PWs) bands (ev): -64.4983 -64.4983 -34.2612 -34.2612 -33.0562 -33.0562 -33.0558 -33.0558 -0.5552 -0.5552 -0.5484 -0.5484 0.2572 0.2572 0.2959 0.2959 0.3158 0.3158 5.6985 5.6985 10.3580 10.3580 11.0462 11.0462 11.2143 11.2143 11.6268 11.6268 11.9688 11.9688 11.9901 11.9901 12.0624 12.0624 12.4164 12.4164 12.7592 12.7592 12.8906 12.8906 12.9334 12.9334 13.5065 13.5065 14.0532 14.0532 14.0842 14.0842 14.1106 14.1106 15.8751 15.8751 16.0094 16.0094 18.1354 18.1354 18.7740 18.7740 k = 0.1773 0.1023 0.2895 ( 4571 PWs) bands (ev): -64.4992 -64.4992 -34.2612 -34.2612 -33.0562 -33.0562 -33.0558 -33.0558 -0.5557 -0.5557 -0.5490 -0.5490 0.2564 0.2564 0.2957 0.2957 0.3148 0.3148 5.6179 5.6179 10.4111 10.4111 11.0418 11.0418 11.2549 11.2549 11.6256 11.6256 11.9472 11.9472 11.9978 11.9978 12.0736 12.0736 12.4142 12.4142 12.7768 12.7768 12.9137 12.9137 12.9508 12.9508 13.5034 13.5034 14.0563 14.0563 14.0711 14.0711 14.1140 14.1140 15.9685 15.9685 16.1093 16.1093 18.2468 18.2468 18.8247 18.8247 k = 0.1705 0.0984 0.2784 ( 4573 PWs) bands (ev): -64.4994 -64.4994 -34.2612 -34.2612 -33.0562 -33.0562 -33.0558 -33.0558 -0.5562 -0.5562 -0.5497 -0.5497 0.2556 0.2556 0.2955 0.2955 0.3138 0.3138 5.5397 5.5397 10.4634 10.4634 11.0399 11.0399 11.2880 11.2880 11.6240 11.6240 11.9253 11.9253 12.0113 12.0113 12.0868 12.0868 12.4090 12.4090 12.7948 12.7948 12.9394 12.9394 12.9683 12.9683 13.5010 13.5010 14.0466 14.0466 14.0782 14.0782 14.1157 14.1157 16.0644 16.0644 16.2133 16.2133 18.3570 18.3570 18.8784 18.8784 k = 0.1636 0.0945 0.2672 ( 4573 PWs) bands (ev): -64.4994 -64.4994 -34.2611 -34.2611 -33.0562 -33.0562 -33.0558 -33.0558 -0.5566 -0.5566 -0.5503 -0.5503 0.2548 0.2548 0.2953 0.2953 0.3127 0.3127 5.4643 5.4643 10.5148 10.5148 11.0386 11.0386 11.3135 11.3135 11.6211 11.6211 11.9030 11.9030 12.0297 12.0297 12.1003 12.1003 12.4053 12.4053 12.8138 12.8138 12.9691 12.9691 12.9860 12.9860 13.4991 13.4991 14.0302 14.0302 14.0884 14.0884 14.1205 14.1205 16.1632 16.1632 16.3204 16.3204 18.4622 18.4622 18.9349 18.9349 k = 0.1568 0.0905 0.2561 ( 4575 PWs) bands (ev): -64.4996 -64.4996 -34.2611 -34.2611 -33.0561 -33.0561 -33.0558 -33.0558 -0.5571 -0.5571 -0.5510 -0.5510 0.2540 0.2540 0.2951 0.2951 0.3116 0.3116 5.3915 5.3915 10.5650 10.5650 11.0382 11.0382 11.3318 11.3318 11.6172 11.6172 11.8806 11.8806 12.0524 12.0524 12.1140 12.1140 12.4012 12.4012 12.8338 12.8338 13.0013 13.0013 13.0038 13.0038 13.4977 13.4977 14.0127 14.0127 14.0969 14.0969 14.1248 14.1248 16.2640 16.2640 16.4307 16.4307 18.5620 18.5620 18.9940 18.9940 k = 0.1500 0.0866 0.2449 ( 4571 PWs) bands (ev): -64.4992 -64.4992 -34.2611 -34.2611 -33.0561 -33.0561 -33.0558 -33.0558 -0.5575 -0.5575 -0.5517 -0.5517 0.2533 0.2533 0.2949 0.2949 0.3105 0.3105 5.3215 5.3215 10.6140 10.6140 11.0391 11.0391 11.3435 11.3435 11.6123 11.6123 11.8582 11.8582 12.0797 12.0797 12.1279 12.1279 12.3983 12.3983 12.8554 12.8554 13.0217 13.0217 13.0359 13.0359 13.4971 13.4971 13.9948 13.9948 14.1069 14.1069 14.1307 14.1307 16.3675 16.3675 16.5456 16.5456 18.6561 18.6561 19.0555 19.0555 k = 0.1432 0.0827 0.2338 ( 4571 PWs) bands (ev): -64.4992 -64.4992 -34.2611 -34.2611 -33.0561 -33.0561 -33.0558 -33.0558 -0.5579 -0.5579 -0.5525 -0.5525 0.2525 0.2525 0.2948 0.2948 0.3094 0.3094 5.2543 5.2543 10.6616 10.6616 11.0414 11.0414 11.3496 11.3496 11.6066 11.6066 11.8357 11.8357 12.1073 12.1073 12.1420 12.1420 12.3939 12.3939 12.8787 12.8787 13.0398 13.0398 13.0714 13.0714 13.4967 13.4967 13.9760 13.9760 14.1167 14.1167 14.1361 14.1361 16.4727 16.4727 16.6621 16.6621 18.7435 18.7435 19.1192 19.1192 k = 0.1364 0.0787 0.2227 ( 4573 PWs) bands (ev): -64.4994 -64.4994 -34.2611 -34.2611 -33.0560 -33.0560 -33.0558 -33.0558 -0.5583 -0.5583 -0.5532 -0.5532 0.2517 0.2517 0.2946 0.2946 0.3082 0.3082 5.1899 5.1899 10.7077 10.7077 11.0447 11.0447 11.3511 11.3511 11.6001 11.6001 11.8131 11.8131 12.1350 12.1350 12.1564 12.1564 12.3895 12.3895 12.9042 12.9042 13.0580 13.0580 13.1077 13.1077 13.4966 13.4966 13.9567 13.9567 14.1259 14.1259 14.1394 14.1394 16.5801 16.5801 16.7814 16.7814 18.8229 18.8229 19.1843 19.1843 k = 0.1295 0.0748 0.2115 ( 4561 PWs) bands (ev): -64.4981 -64.4981 -34.2610 -34.2610 -33.0560 -33.0560 -33.0557 -33.0557 -0.5587 -0.5587 -0.5539 -0.5539 0.2510 0.2510 0.2945 0.2945 0.3070 0.3070 5.1285 5.1285 10.7523 10.7523 11.0505 11.0505 11.3491 11.3491 11.5932 11.5932 11.7908 11.7908 12.1628 12.1628 12.1733 12.1733 12.3857 12.3857 12.9322 12.9322 13.0764 13.0764 13.1446 13.1446 13.4977 13.4977 13.9382 13.9382 14.1403 14.1403 14.1488 14.1488 16.6903 16.6903 16.9062 16.9062 18.8950 18.8950 19.2508 19.2508 k = 0.1227 0.0709 0.2004 ( 4561 PWs) bands (ev): -64.4981 -64.4981 -34.2610 -34.2610 -33.0559 -33.0559 -33.0557 -33.0557 -0.5591 -0.5591 -0.5546 -0.5546 0.2503 0.2503 0.2943 0.2943 0.3058 0.3058 5.0701 5.0701 10.7952 10.7952 11.0559 11.0559 11.3444 11.3444 11.5856 11.5856 11.7682 11.7682 12.1811 12.1811 12.1946 12.1946 12.3817 12.3817 12.9625 12.9625 13.0950 13.0950 13.1811 13.1811 13.4985 13.4985 13.9179 13.9179 14.1477 14.1477 14.1561 14.1561 16.8029 16.8029 17.0316 17.0316 18.9557 18.9557 19.3176 19.3176 k = 0.1159 0.0669 0.1893 ( 4551 PWs) bands (ev): -64.4970 -64.4970 -34.2610 -34.2610 -33.0559 -33.0559 -33.0557 -33.0557 -0.5595 -0.5595 -0.5554 -0.5554 0.2496 0.2496 0.2942 0.2942 0.3047 0.3047 5.0147 5.0147 10.8365 10.8365 11.0632 11.0632 11.3377 11.3377 11.5778 11.5778 11.7459 11.7459 12.1958 12.1958 12.2190 12.2190 12.3791 12.3791 12.9952 12.9952 13.1137 13.1137 13.2179 13.2179 13.5001 13.5001 13.8975 13.8975 14.1572 14.1572 14.1687 14.1687 16.9189 16.9189 17.1614 17.1614 19.0073 19.0073 19.3846 19.3846 k = 0.1091 0.0630 0.1781 ( 4561 PWs) bands (ev): -64.4980 -64.4980 -34.2610 -34.2610 -33.0559 -33.0559 -33.0557 -33.0557 -0.5599 -0.5599 -0.5561 -0.5561 0.2489 0.2489 0.2940 0.2940 0.3035 0.3035 4.9622 4.9622 10.8759 10.8759 11.0698 11.0698 11.3297 11.3297 11.5691 11.5691 11.7231 11.7231 12.2072 12.2072 12.2365 12.2365 12.3767 12.3767 13.0292 13.0292 13.1327 13.1327 13.2536 13.2536 13.5007 13.5007 13.8749 13.8749 14.1631 14.1631 14.1720 14.1720 17.0370 17.0370 17.2888 17.2888 19.0466 19.0466 19.4512 19.4512 k = 0.1023 0.0590 0.1670 ( 4561 PWs) bands (ev): -64.4981 -64.4981 -34.2610 -34.2610 -33.0558 -33.0558 -33.0557 -33.0557 -0.5602 -0.5602 -0.5568 -0.5568 0.2482 0.2482 0.2939 0.2939 0.3024 0.3024 4.9128 4.9128 10.9136 10.9136 11.0781 11.0781 11.3207 11.3207 11.5603 11.5603 11.7006 11.7006 12.2196 12.2196 12.2547 12.2547 12.3742 12.3742 13.0650 13.0650 13.1519 13.1519 13.2878 13.2878 13.5027 13.5027 13.8534 13.8534 14.1694 14.1694 14.1787 14.1787 17.1581 17.1581 17.4223 17.4223 19.0771 19.0771 19.5166 19.5166 k = 0.0955 0.0551 0.1559 ( 4569 PWs) bands (ev): -64.4989 -64.4989 -34.2610 -34.2610 -33.0558 -33.0558 -33.0558 -33.0558 -0.5605 -0.5605 -0.5575 -0.5575 0.2476 0.2476 0.2938 0.2938 0.3013 0.3013 4.8666 4.8666 10.9493 10.9493 11.0868 11.0868 11.3113 11.3113 11.5507 11.5507 11.6779 11.6779 12.2298 12.2298 12.2685 12.2685 12.3727 12.3727 13.1013 13.1013 13.1715 13.1715 13.3204 13.3204 13.5047 13.5047 13.8302 13.8302 14.1738 14.1738 14.1818 14.1818 17.2815 17.2815 17.5569 17.5569 19.0984 19.0984 19.5809 19.5809 k = 0.0886 0.0512 0.1447 ( 4575 PWs) bands (ev): -64.4996 -64.4996 -34.2610 -34.2610 -33.0558 -33.0558 -33.0558 -33.0558 -0.5608 -0.5608 -0.5581 -0.5581 0.2470 0.2470 0.2936 0.2936 0.3003 0.3003 4.8234 4.8234 10.9832 10.9832 11.0963 11.0963 11.3017 11.3017 11.5413 11.5413 11.6554 11.6554 12.2409 12.2409 12.2807 12.2807 12.3701 12.3701 13.1379 13.1379 13.1914 13.1914 13.3505 13.3505 13.5075 13.5075 13.8083 13.8083 14.1773 14.1773 14.1841 14.1841 17.4084 17.4084 17.6946 17.6946 19.1124 19.1124 19.6422 19.6422 k = 0.0818 0.0472 0.1336 ( 4573 PWs) bands (ev): -64.4994 -64.4994 -34.2610 -34.2610 -33.0558 -33.0558 -33.0557 -33.0557 -0.5611 -0.5611 -0.5588 -0.5588 0.2464 0.2464 0.2936 0.2936 0.2993 0.2993 4.7833 4.7833 11.0152 11.0152 11.1073 11.1073 11.2921 11.2921 11.5321 11.5321 11.6336 11.6336 12.2517 12.2517 12.2914 12.2914 12.3678 12.3678 13.1740 13.1740 13.2119 13.2119 13.3781 13.3781 13.5112 13.5112 13.7866 13.7866 14.1831 14.1831 14.1930 14.1930 17.5380 17.5380 17.8349 17.8349 19.1212 19.1212 19.7001 19.7001 k = 0.0750 0.0433 0.1225 ( 4573 PWs) bands (ev): -64.4994 -64.4994 -34.2610 -34.2610 -33.0558 -33.0558 -33.0557 -33.0557 -0.5614 -0.5614 -0.5594 -0.5594 0.2458 0.2458 0.2935 0.2935 0.2983 0.2983 4.7464 4.7464 11.0453 11.0453 11.1187 11.1187 11.2828 11.2828 11.5227 11.5227 11.6119 11.6119 12.2614 12.2614 12.2987 12.2987 12.3676 12.3676 13.2079 13.2079 13.2338 13.2338 13.4039 13.4039 13.5153 13.5153 13.7646 13.7646 14.1887 14.1887 14.1986 14.1986 17.6708 17.6708 17.9756 17.9756 19.1253 19.1253 19.7549 19.7549 k = 0.0682 0.0394 0.1113 ( 4573 PWs) bands (ev): -64.4995 -64.4995 -34.2609 -34.2609 -33.0558 -33.0558 -33.0557 -33.0557 -0.5616 -0.5616 -0.5599 -0.5599 0.2453 0.2453 0.2934 0.2934 0.2974 0.2974 4.7127 4.7127 11.0733 11.0733 11.1308 11.1308 11.2739 11.2739 11.5132 11.5132 11.5907 11.5907 12.2704 12.2704 12.3046 12.3046 12.3675 12.3675 13.2378 13.2378 13.2582 13.2582 13.4260 13.4260 13.5203 13.5203 13.7429 13.7429 14.1932 14.1932 14.2051 14.2051 17.8056 17.8056 18.1176 18.1176 19.1266 19.1266 19.8043 19.8043 k = 0.0614 0.0354 0.1002 ( 4573 PWs) bands (ev): -64.4995 -64.4995 -34.2609 -34.2609 -33.0557 -33.0557 -33.0557 -33.0557 -0.5619 -0.5619 -0.5605 -0.5605 0.2448 0.2448 0.2933 0.2933 0.2966 0.2966 4.6822 4.6822 11.0994 11.0994 11.1432 11.1432 11.2656 11.2656 11.5039 11.5039 11.5700 11.5700 12.2785 12.2785 12.3080 12.3080 12.3687 12.3687 13.2627 13.2627 13.2854 13.2854 13.4461 13.4461 13.5259 13.5259 13.7214 13.7214 14.1984 14.1984 14.2098 14.2098 17.9426 17.9426 18.2584 18.2584 19.1267 19.1267 19.8488 19.8488 k = 0.0545 0.0315 0.0891 ( 4577 PWs) bands (ev): -64.5000 -64.5000 -34.2609 -34.2609 -33.0557 -33.0557 -33.0557 -33.0557 -0.5621 -0.5621 -0.5609 -0.5609 0.2444 0.2444 0.2932 0.2932 0.2959 0.2959 4.6548 4.6548 11.1232 11.1232 11.1559 11.1559 11.2579 11.2579 11.4946 11.4946 11.5498 11.5498 12.2850 12.2850 12.3092 12.3092 12.3698 12.3698 13.2848 13.2848 13.3123 13.3123 13.4631 13.4631 13.5316 13.5316 13.7002 13.7002 14.2011 14.2011 14.2138 14.2138 18.0805 18.0805 18.3969 18.3969 19.1269 19.1269 19.8864 19.8864 k = 0.0477 0.0276 0.0779 ( 4577 PWs) bands (ev): -64.5000 -64.5000 -34.2609 -34.2609 -33.0557 -33.0557 -33.0557 -33.0557 -0.5623 -0.5623 -0.5614 -0.5614 0.2440 0.2440 0.2932 0.2932 0.2952 0.2952 4.6306 4.6306 11.1449 11.1449 11.1688 11.1688 11.2510 11.2510 11.4859 11.4859 11.5306 11.5306 12.2909 12.2909 12.3105 12.3105 12.3718 12.3718 13.3060 13.3060 13.3372 13.3372 13.4777 13.4777 13.5380 13.5380 13.6804 13.6804 14.2060 14.2060 14.2166 14.2166 18.2181 18.2181 18.5330 18.5330 19.1290 19.1290 19.8983 19.8983 k = 0.0409 0.0236 0.0668 ( 4581 PWs) bands (ev): -64.5004 -64.5004 -34.2609 -34.2609 -33.0557 -33.0557 -33.0557 -33.0557 -0.5624 -0.5624 -0.5618 -0.5618 0.2437 0.2437 0.2931 0.2931 0.2946 0.2946 4.6096 4.6096 11.1641 11.1641 11.1815 11.1815 11.2449 11.2449 11.4774 11.4774 11.5120 11.5120 12.2961 12.2961 12.3110 12.3110 12.3735 12.3735 13.3266 13.3266 13.3588 13.3588 13.4892 13.4892 13.5434 13.5434 13.6622 13.6622 14.2087 14.2087 14.2158 14.2158 18.3519 18.3519 18.6643 18.6643 19.1347 19.1347 19.9008 19.9008 k = 0.0341 0.0197 0.0557 ( 4585 PWs) bands (ev): -64.5008 -64.5008 -34.2609 -34.2609 -33.0557 -33.0557 -33.0557 -33.0557 -0.5626 -0.5626 -0.5621 -0.5621 0.2434 0.2434 0.2931 0.2931 0.2941 0.2941 4.5919 4.5919 11.1807 11.1807 11.1940 11.1940 11.2397 11.2397 11.4697 11.4697 11.4949 11.4949 12.2998 12.2998 12.3107 12.3107 12.3747 12.3747 13.3466 13.3466 13.3768 13.3768 13.4986 13.4986 13.5460 13.5460 13.6465 13.6465 14.2121 14.2121 14.2162 14.2162 18.4783 18.4783 18.7888 18.7888 19.1459 19.1459 19.9128 19.9128 k = 0.0273 0.0157 0.0445 ( 4597 PWs) bands (ev): -64.5021 -64.5021 -34.2610 -34.2610 -33.0558 -33.0558 -33.0557 -33.0557 -0.5627 -0.5627 -0.5624 -0.5624 0.2431 0.2431 0.2930 0.2930 0.2937 0.2937 4.5773 4.5773 11.1946 11.1946 11.2056 11.2056 11.2355 11.2355 11.4626 11.4626 11.4793 11.4793 12.3024 12.3024 12.3079 12.3079 12.3741 12.3741 13.3658 13.3658 13.3909 13.3909 13.5048 13.5048 13.5440 13.5440 13.6348 13.6348 14.2129 14.2129 14.2134 14.2134 18.5902 18.5902 18.9059 18.9059 19.1639 19.1639 19.9243 19.9243 k = 0.0205 0.0118 0.0334 ( 4589 PWs) bands (ev): -64.5013 -64.5013 -34.2609 -34.2609 -33.0558 -33.0558 -33.0557 -33.0557 -0.5627 -0.5627 -0.5626 -0.5626 0.2430 0.2430 0.2930 0.2930 0.2934 0.2934 4.5660 4.5660 11.2055 11.2055 11.2159 11.2159 11.2325 11.2325 11.4569 11.4569 11.4667 11.4667 12.3066 12.3066 12.3093 12.3093 12.3771 12.3771 13.3839 13.3839 13.4017 13.4017 13.5118 13.5118 13.5402 13.5402 13.6293 13.6293 14.2160 14.2160 14.2163 14.2163 18.6800 18.6800 19.0173 19.0173 19.1878 19.1878 19.9008 19.9008 k = 0.0136 0.0079 0.0223 ( 4585 PWs) bands (ev): -64.5008 -64.5008 -34.2609 -34.2609 -33.0557 -33.0557 -33.0557 -33.0557 -0.5628 -0.5628 -0.5627 -0.5627 0.2428 0.2428 0.2930 0.2930 0.2931 0.2931 4.5580 4.5580 11.2133 11.2133 11.2239 11.2239 11.2308 11.2308 11.4525 11.4525 11.4571 11.4571 12.3084 12.3084 12.3103 12.3103 12.3788 12.3788 13.3994 13.3994 13.4091 13.4091 13.5173 13.5173 13.5330 13.5330 13.6264 13.6264 14.2184 14.2184 14.2189 14.2189 18.7416 18.7416 19.1207 19.1207 19.2126 19.2126 19.8493 19.8493 k = 0.0068 0.0039 0.0111 ( 4575 PWs) bands (ev): -64.4998 -64.4998 -34.2609 -34.2609 -33.0557 -33.0557 -33.0557 -33.0557 -0.5628 -0.5628 -0.5628 -0.5628 0.2427 0.2427 0.2930 0.2930 0.2930 0.2930 4.5532 4.5532 11.2174 11.2174 11.2289 11.2289 11.2305 11.2305 11.4499 11.4499 11.4511 11.4511 12.3118 12.3118 12.3119 12.3119 12.3815 12.3815 13.4105 13.4105 13.4133 13.4133 13.5225 13.5225 13.5268 13.5268 13.6265 13.6265 14.2206 14.2206 14.2210 14.2210 18.7759 18.7759 19.2036 19.2036 19.2311 19.2311 19.7921 19.7921 k = 0.0000 0.0000 0.0000 ( 4573 PWs) bands (ev): -64.4996 -64.4996 -34.2609 -34.2609 -33.0557 -33.0557 -33.0557 -33.0557 -0.5628 -0.5628 -0.5628 -0.5628 0.2427 0.2427 0.2930 0.2930 0.2930 0.2930 4.5516 4.5516 11.2186 11.2186 11.2306 11.2306 11.2306 11.2306 11.4490 11.4490 11.4490 11.4490 12.3124 12.3124 12.3124 12.3124 12.3821 12.3821 13.4147 13.4147 13.4147 13.4147 13.5240 13.5240 13.5240 13.5240 13.6266 13.6266 14.2213 14.2213 14.2213 14.2213 18.7867 18.7867 19.2378 19.2378 19.2378 19.2378 19.7652 19.7652 k = 0.0000 0.0000 0.0000 ( 4573 PWs) bands (ev): -64.4996 -64.4996 -34.2609 -34.2609 -33.0557 -33.0557 -33.0557 -33.0557 -0.5628 -0.5628 -0.5628 -0.5628 0.2427 0.2427 0.2930 0.2930 0.2930 0.2930 4.5516 4.5516 11.2186 11.2186 11.2306 11.2306 11.2306 11.2306 11.4490 11.4490 11.4490 11.4490 12.3124 12.3124 12.3124 12.3124 12.3821 12.3821 13.4147 13.4147 13.4147 13.4147 13.5240 13.5240 13.5240 13.5240 13.6266 13.6266 14.2213 14.2213 14.2213 14.2213 18.7867 18.7867 19.2378 19.2378 19.2378 19.2378 19.7652 19.7652 k = 0.0111 0.0064 0.0045 ( 4579 PWs) bands (ev): -64.5002 -64.5002 -34.2609 -34.2609 -33.0557 -33.0557 -33.0557 -33.0557 -0.5628 -0.5628 -0.5628 -0.5628 0.2427 0.2427 0.2930 0.2930 0.2930 0.2930 4.5531 4.5531 11.2175 11.2175 11.2296 11.2296 11.2297 11.2297 11.4504 11.4504 11.4505 11.4505 12.3102 12.3102 12.3119 12.3119 12.3807 12.3807 13.4115 13.4115 13.4124 13.4124 13.5212 13.5212 13.5269 13.5269 13.6260 13.6260 14.2202 14.2202 14.2203 14.2203 18.7758 18.7758 19.2021 19.2021 19.2330 19.2330 19.7914 19.7914 k = 0.0222 0.0128 0.0091 ( 4588 PWs) bands (ev): -64.5012 -64.5012 -34.2609 -34.2609 -33.0557 -33.0557 -33.0557 -33.0557 -0.5628 -0.5628 -0.5627 -0.5627 0.2428 0.2428 0.2930 0.2930 0.2932 0.2932 4.5579 4.5579 11.2143 11.2143 11.2266 11.2266 11.2269 11.2269 11.4546 11.4546 11.4550 11.4550 12.3085 12.3085 12.3091 12.3091 12.3782 12.3782 13.4025 13.4025 13.4058 13.4058 13.5168 13.5168 13.5330 13.5330 13.6257 13.6257 14.2181 14.2181 14.2183 14.2183 18.7400 18.7400 19.1197 19.1197 19.2189 19.2189 19.8387 19.8387 k = 0.0333 0.0192 0.0136 ( 4591 PWs) bands (ev): -64.5015 -64.5015 -34.2609 -34.2609 -33.0558 -33.0558 -33.0557 -33.0557 -0.5627 -0.5627 -0.5626 -0.5626 0.2429 0.2429 0.2930 0.2930 0.2934 0.2934 4.5660 4.5660 11.2092 11.2092 11.2217 11.2217 11.2226 11.2226 11.4616 11.4616 11.4624 11.4624 12.3070 12.3070 12.3082 12.3082 12.3766 12.3766 13.3898 13.3898 13.3955 13.3955 13.5081 13.5081 13.5446 13.5446 13.6281 13.6281 14.2158 14.2158 14.2161 14.2161 18.6708 18.6708 19.0302 19.0302 19.1965 19.1965 19.8391 19.8391 k = 0.0444 0.0257 0.0181 ( 4588 PWs) bands (ev): -64.5011 -64.5011 -34.2609 -34.2609 -33.0558 -33.0558 -33.0557 -33.0557 -0.5626 -0.5626 -0.5624 -0.5624 0.2431 0.2431 0.2930 0.2930 0.2937 0.2937 4.5772 4.5772 11.2022 11.2022 11.2151 11.2151 11.2170 11.2170 11.4711 11.4711 11.4724 11.4724 12.3049 12.3049 12.3094 12.3094 12.3760 12.3760 13.3747 13.3747 13.3825 13.3825 13.4961 13.4961 13.5581 13.5581 13.6332 13.6332 14.2137 14.2137 14.2143 14.2143 18.5633 18.5633 18.9571 18.9571 19.1672 19.1672 19.7846 19.7846 k = 0.0556 0.0321 0.0227 ( 4582 PWs) bands (ev): -64.5005 -64.5005 -34.2609 -34.2609 -33.0557 -33.0557 -33.0557 -33.0557 -0.5625 -0.5625 -0.5621 -0.5621 0.2434 0.2434 0.2930 0.2930 0.2942 0.2942 4.5917 4.5917 11.1935 11.1935 11.2072 11.2072 11.2106 11.2106 11.4828 11.4828 11.4848 11.4848 12.3027 12.3027 12.3102 12.3102 12.3751 12.3751 13.3582 13.3582 13.3673 13.3673 13.4779 13.4779 13.5730 13.5730 13.6406 13.6406 14.2129 14.2129 14.2138 14.2138 18.4251 18.4251 18.9018 18.9018 19.1325 19.1325 19.7136 19.7136 k = 0.0667 0.0385 0.0272 ( 4585 PWs) bands (ev): -64.5008 -64.5008 -34.2609 -34.2609 -33.0557 -33.0557 -33.0557 -33.0557 -0.5624 -0.5624 -0.5618 -0.5618 0.2437 0.2437 0.2930 0.2930 0.2947 0.2947 4.6094 4.6094 11.1825 11.1825 11.1986 11.1986 11.2036 11.2036 11.4960 11.4960 11.4987 11.4987 12.2979 12.2979 12.3087 12.3087 12.3717 12.3717 13.3405 13.3405 13.3501 13.3501 13.4526 13.4526 13.5868 13.5868 13.6481 13.6481 14.2115 14.2115 14.2128 14.2128 18.2684 18.2684 18.8564 18.8564 19.0932 19.0932 19.6397 19.6397 k = 0.0778 0.0449 0.0318 ( 4579 PWs) bands (ev): -64.5002 -64.5002 -34.2609 -34.2609 -33.0557 -33.0557 -33.0557 -33.0557 -0.5622 -0.5622 -0.5615 -0.5615 0.2440 0.2440 0.2930 0.2930 0.2954 0.2954 4.6303 4.6303 11.1692 11.1692 11.1898 11.1898 11.1963 11.1963 11.5109 11.5109 11.5143 11.5143 12.2943 12.2943 12.3077 12.3077 12.3691 12.3691 13.3223 13.3223 13.3315 13.3315 13.4227 13.4227 13.6021 13.6021 13.6583 13.6583 14.2118 14.2118 14.2136 14.2136 18.1034 18.1034 18.8163 18.8163 19.0517 19.0517 19.5670 19.5670 k = 0.0889 0.0513 0.0363 ( 4579 PWs) bands (ev): -64.5002 -64.5002 -34.2609 -34.2609 -33.0557 -33.0557 -33.0557 -33.0557 -0.5620 -0.5620 -0.5611 -0.5611 0.2444 0.2444 0.2930 0.2930 0.2961 0.2961 4.6543 4.6543 11.1532 11.1532 11.1812 11.1812 11.1889 11.1889 11.5264 11.5264 11.5306 11.5306 12.2900 12.2900 12.3062 12.3062 12.3658 12.3658 13.3037 13.3037 13.3112 13.3112 13.3885 13.3885 13.6172 13.6172 13.6692 13.6692 14.2076 14.2076 14.2099 14.2099 17.9348 17.9348 18.7783 18.7783 19.0083 19.0083 19.4966 19.4966 k = 0.1000 0.0577 0.0408 ( 4582 PWs) bands (ev): -64.5005 -64.5005 -34.2610 -34.2610 -33.0558 -33.0558 -33.0557 -33.0557 -0.5617 -0.5617 -0.5606 -0.5606 0.2448 0.2448 0.2930 0.2930 0.2969 0.2969 4.6816 4.6816 11.1345 11.1345 11.1729 11.1729 11.1815 11.1815 11.5429 11.5429 11.5478 11.5478 12.2852 12.2852 12.3031 12.3031 12.3608 12.3608 13.2847 13.2847 13.2883 13.2883 13.3508 13.3508 13.6321 13.6321 13.6804 13.6804 14.2028 14.2028 14.2057 14.2057 17.7651 17.7651 18.7412 18.7412 18.9640 18.9640 19.4280 19.4280 k = 0.1111 0.0642 0.0454 ( 4576 PWs) bands (ev): -64.4998 -64.4998 -34.2610 -34.2610 -33.0558 -33.0558 -33.0557 -33.0557 -0.5615 -0.5615 -0.5601 -0.5601 0.2453 0.2453 0.2930 0.2930 0.2978 0.2978 4.7120 4.7120 11.1131 11.1131 11.1651 11.1651 11.1744 11.1744 11.5602 11.5602 11.5659 11.5659 12.2810 12.2810 12.3013 12.3013 12.3569 12.3569 13.2616 13.2616 13.2656 13.2656 13.3139 13.3139 13.6475 13.6475 13.6925 13.6925 14.2000 14.2000 14.2035 14.2035 17.5975 17.5975 18.7053 18.7053 18.9199 18.9199 19.3628 19.3628 k = 0.1222 0.0706 0.0499 ( 4576 PWs) bands (ev): -64.4998 -64.4998 -34.2610 -34.2610 -33.0558 -33.0558 -33.0557 -33.0557 -0.5612 -0.5612 -0.5596 -0.5596 0.2458 0.2458 0.2930 0.2930 0.2987 0.2987 4.7456 4.7456 11.0888 11.0888 11.1576 11.1576 11.1675 11.1675 11.5779 11.5779 11.5844 11.5844 12.2754 12.2754 12.2983 12.2983 12.3513 12.3513 13.2277 13.2277 13.2461 13.2461 13.2805 13.2805 13.6618 13.6618 13.7039 13.7039 14.1949 14.1949 14.1992 14.1992 17.4321 17.4321 18.6696 18.6696 18.8757 18.8757 19.3001 19.3001 k = 0.1333 0.0770 0.0544 ( 4570 PWs) bands (ev): -64.4991 -64.4991 -34.2610 -34.2610 -33.0558 -33.0558 -33.0557 -33.0557 -0.5609 -0.5609 -0.5590 -0.5590 0.2464 0.2464 0.2931 0.2931 0.2998 0.2998 4.7824 4.7824 11.0615 11.0615 11.1507 11.1507 11.1611 11.1611 11.5961 11.5961 11.6033 11.6033 12.2697 12.2697 12.2962 12.2962 12.3466 12.3466 13.1872 13.1872 13.2266 13.2266 13.2525 13.2525 13.6758 13.6758 13.7152 13.7152 14.1905 14.1905 14.1956 14.1956 17.2717 17.2717 18.6347 18.6347 18.8323 18.8323 19.2408 19.2408 k = 0.1444 0.0834 0.0590 ( 4576 PWs) bands (ev): -64.4997 -64.4997 -34.2610 -34.2610 -33.0558 -33.0558 -33.0557 -33.0557 -0.5606 -0.5606 -0.5584 -0.5584 0.2470 0.2470 0.2931 0.2931 0.3009 0.3009 4.8223 4.8223 11.0309 11.0309 11.1439 11.1439 11.1547 11.1547 11.6144 11.6144 11.6222 11.6222 12.2631 12.2631 12.2917 12.2917 12.3385 12.3385 13.1403 13.1403 13.2068 13.2068 13.2273 13.2273 13.6890 13.6890 13.7259 13.7259 14.1815 14.1815 14.1874 14.1874 17.1132 17.1132 18.6006 18.6006 18.7898 18.7898 19.1828 19.1828 k = 0.1556 0.0898 0.0635 ( 4552 PWs) bands (ev): -64.4971 -64.4971 -34.2610 -34.2610 -33.0558 -33.0558 -33.0557 -33.0557 -0.5603 -0.5603 -0.5577 -0.5577 0.2476 0.2476 0.2931 0.2931 0.3020 0.3020 4.8654 4.8654 10.9968 10.9968 11.1385 11.1385 11.1496 11.1496 11.6334 11.6334 11.6417 11.6417 12.2603 12.2603 12.2911 12.2911 12.3338 12.3338 13.0926 13.0926 13.1873 13.1873 13.2038 13.2038 13.7046 13.7046 13.7391 13.7391 14.1815 14.1815 14.1881 14.1881 16.9624 16.9624 18.5692 18.5692 18.7505 18.7505 19.1285 19.1285 k = 0.1667 0.0962 0.0680 ( 4552 PWs) bands (ev): -64.4971 -64.4971 -34.2610 -34.2610 -33.0558 -33.0558 -33.0557 -33.0557 -0.5599 -0.5599 -0.5570 -0.5570 0.2483 0.2483 0.2931 0.2931 0.3033 0.3033 4.9115 4.9115 10.9588 10.9588 11.1333 11.1333 11.1447 11.1447 11.6523 11.6523 11.6610 11.6610 12.2534 12.2534 12.2844 12.2844 12.3220 12.3220 13.0425 13.0425 13.1673 13.1673 13.1807 13.1807 13.7166 13.7166 13.7489 13.7489 14.1783 14.1783 14.1856 14.1856 16.8110 16.8110 18.5375 18.5375 18.7110 18.7110 19.0751 19.0751 k = 0.1778 0.1026 0.0726 ( 4543 PWs) bands (ev): -64.4961 -64.4961 -34.2610 -34.2610 -33.0558 -33.0558 -33.0557 -33.0557 -0.5595 -0.5595 -0.5563 -0.5563 0.2489 0.2489 0.2931 0.2931 0.3046 0.3046 4.9607 4.9607 10.9167 10.9167 11.1290 11.1290 11.1406 11.1406 11.6712 11.6712 11.6802 11.6802 12.2478 12.2478 12.2770 12.2770 12.3110 12.3110 12.9938 12.9938 13.1474 13.1474 13.1579 13.1579 13.7291 13.7291 13.7594 13.7594 14.1774 14.1774 14.1853 14.1853 16.6648 16.6648 18.5077 18.5077 18.6739 18.6739 19.0243 19.0243 k = 0.1889 0.1091 0.0771 ( 4555 PWs) bands (ev): -64.4974 -64.4974 -34.2610 -34.2610 -33.0559 -33.0559 -33.0557 -33.0557 -0.5592 -0.5592 -0.5556 -0.5556 0.2496 0.2496 0.2932 0.2932 0.3059 0.3059 5.0129 5.0129 10.8699 10.8699 11.1244 11.1244 11.1362 11.1362 11.6897 11.6897 11.6988 11.6988 12.2399 12.2399 12.2631 12.2631 12.2985 12.2985 12.9469 12.9469 13.1272 13.1272 13.1351 13.1351 13.7392 13.7392 13.7676 13.7676 14.1686 14.1686 14.1773 14.1773 16.5210 16.5210 18.4786 18.4786 18.6378 18.6378 18.9754 18.9754 k = 0.2000 0.1155 0.0816 ( 4549 PWs) bands (ev): -64.4968 -64.4968 -34.2610 -34.2610 -33.0559 -33.0559 -33.0557 -33.0557 -0.5588 -0.5588 -0.5549 -0.5549 0.2504 0.2504 0.2932 0.2932 0.3072 0.3072 5.0682 5.0682 10.8182 10.8182 11.1209 11.1209 11.1329 11.1329 11.7082 11.7082 11.7173 11.7173 12.2339 12.2339 12.2478 12.2478 12.2907 12.2907 12.9040 12.9040 13.1071 13.1071 13.1123 13.1123 13.7498 13.7498 13.7765 13.7765 14.1665 14.1665 14.1756 14.1756 16.3842 16.3842 18.4517 18.4517 18.6043 18.6043 18.9296 18.9296 k = 0.2111 0.1219 0.0862 ( 4555 PWs) bands (ev): -64.4974 -64.4974 -34.2610 -34.2610 -33.0560 -33.0560 -33.0557 -33.0557 -0.5584 -0.5584 -0.5541 -0.5541 0.2511 0.2511 0.2932 0.2932 0.3086 0.3086 5.1264 5.1264 10.7612 10.7612 11.1177 11.1177 11.1297 11.1297 11.7263 11.7263 11.7351 11.7351 12.2261 12.2261 12.2273 12.2273 12.2829 12.2829 12.8650 12.8650 13.0870 13.0870 13.0896 13.0896 13.7580 13.7580 13.7832 13.7832 14.1603 14.1603 14.1699 14.1699 16.2515 16.2515 18.4258 18.4258 18.5722 18.5722 18.8860 18.8860 k = 0.2222 0.1283 0.0907 ( 4555 PWs) bands (ev): -64.4974 -64.4974 -34.2610 -34.2610 -33.0560 -33.0560 -33.0557 -33.0557 -0.5580 -0.5580 -0.5534 -0.5534 0.2518 0.2518 0.2932 0.2932 0.3100 0.3100 5.1877 5.1877 10.6985 10.6985 11.1151 11.1151 11.1271 11.1271 11.7441 11.7441 11.7524 11.7524 12.2031 12.2031 12.2196 12.2196 12.2778 12.2778 12.8304 12.8304 13.0669 13.0669 13.0669 13.0669 13.7662 13.7662 13.7901 13.7901 14.1570 14.1570 14.1669 14.1669 16.1231 16.1231 18.4021 18.4021 18.5427 18.5427 18.8447 18.8447 k = 0.2333 0.1347 0.0953 ( 4549 PWs) bands (ev): -64.4968 -64.4968 -34.2611 -34.2611 -33.0560 -33.0560 -33.0557 -33.0557 -0.5576 -0.5576 -0.5526 -0.5526 0.2525 0.2525 0.2932 0.2932 0.3115 0.3115 5.2518 5.2518 10.6300 10.6300 11.1139 11.1139 11.1258 11.1258 11.7618 11.7618 11.7691 11.7691 12.1771 12.1771 12.2128 12.2128 12.2733 12.2733 12.8004 12.8004 13.0444 13.0444 13.0469 13.0469 13.7733 13.7733 13.7961 13.7961 14.1581 14.1581 14.1681 14.1681 15.9997 15.9997 18.3804 18.3804 18.5155 18.5155 18.8057 18.8057 k = 0.2444 0.1411 0.0998 ( 4561 PWs) bands (ev): -64.4981 -64.4981 -34.2611 -34.2611 -33.0561 -33.0561 -33.0557 -33.0557 -0.5572 -0.5572 -0.5519 -0.5519 0.2533 0.2533 0.2933 0.2933 0.3129 0.3129 5.3188 5.3188 10.5555 10.5555 11.1120 11.1120 11.1239 11.1239 11.7784 11.7784 11.7844 11.7844 12.1489 12.1489 12.2044 12.2044 12.2681 12.2681 12.7747 12.7747 13.0220 13.0220 13.0268 13.0268 13.7770 13.7770 13.7990 13.7990 14.1533 14.1533 14.1632 14.1632 15.8797 15.8797 18.3586 18.3586 18.4886 18.4886 18.7688 18.7688 k = 0.2556 0.1475 0.1043 ( 4567 PWs) bands (ev): -64.4987 -64.4987 -34.2611 -34.2611 -33.0561 -33.0561 -33.0557 -33.0557 -0.5568 -0.5568 -0.5511 -0.5511 0.2540 0.2540 0.2933 0.2933 0.3144 0.3144 5.3886 5.3886 10.4748 10.4748 11.1111 11.1111 11.1229 11.1229 11.7946 11.7946 11.7990 11.7990 12.1171 12.1171 12.1981 12.1981 12.2652 12.2652 12.7530 12.7530 12.9999 12.9999 13.0070 13.0070 13.7816 13.7816 13.8031 13.8031 14.1520 14.1520 14.1616 14.1616 15.7611 15.7611 18.3402 18.3402 18.4656 18.4656 18.7338 18.7338 k = 0.2667 0.1540 0.1089 ( 4573 PWs) bands (ev): -64.4994 -64.4994 -34.2611 -34.2611 -33.0562 -33.0562 -33.0558 -33.0558 -0.5565 -0.5565 -0.5504 -0.5504 0.2547 0.2547 0.2933 0.2933 0.3159 0.3159 5.4612 5.4612 10.3883 10.3883 11.1106 11.1106 11.1223 11.1223 11.8101 11.8101 11.8124 11.8124 12.0897 12.0897 12.1911 12.1911 12.2620 12.2620 12.7349 12.7349 12.9782 12.9782 12.9872 12.9872 13.7844 13.7844 13.8054 13.8054 14.1503 14.1503 14.1595 14.1595 15.6505 15.6505 18.3232 18.3232 18.4443 18.4443 18.7013 18.7013 k = 0.2778 0.1604 0.1134 ( 4573 PWs) bands (ev): -64.4994 -64.4994 -34.2612 -34.2612 -33.0562 -33.0562 -33.0558 -33.0558 -0.5561 -0.5561 -0.5496 -0.5496 0.2555 0.2555 0.2934 0.2934 0.3173 0.3173 5.5365 5.5365 10.2962 10.2962 11.1107 11.1107 11.1221 11.1221 11.8247 11.8247 11.8250 11.8250 12.0644 12.0644 12.1856 12.1856 12.2605 12.2605 12.7199 12.7199 12.9570 12.9570 12.9677 12.9677 13.7883 13.7883 13.8089 13.8089 14.1490 14.1490 14.1576 14.1576 15.5457 15.5457 18.3096 18.3096 18.4267 18.4267 18.6708 18.6708 k = 0.2889 0.1668 0.1179 ( 4567 PWs) bands (ev): -64.4988 -64.4988 -34.2612 -34.2612 -33.0562 -33.0562 -33.0558 -33.0558 -0.5557 -0.5557 -0.5489 -0.5489 0.2562 0.2562 0.2934 0.2934 0.3187 0.3187 5.6144 5.6144 10.1990 10.1990 11.1111 11.1111 11.1224 11.1224 11.8354 11.8354 11.8388 11.8388 12.0433 12.0433 12.1810 12.1810 12.2605 12.2605 12.7074 12.7074 12.9364 12.9364 12.9485 12.9485 13.7903 13.7903 13.8110 13.8110 14.1509 14.1509 14.1585 14.1585 15.4484 15.4484 18.2973 18.2973 18.4109 18.4109 18.6426 18.6426 k = 0.3000 0.1732 0.1225 ( 4576 PWs) bands (ev): -64.4998 -64.4998 -34.2612 -34.2612 -33.0563 -33.0563 -33.0558 -33.0558 -0.5553 -0.5553 -0.5482 -0.5482 0.2569 0.2569 0.2934 0.2934 0.3202 0.3202 5.6948 5.6948 10.0966 10.0966 11.1116 11.1116 11.1226 11.1226 11.8443 11.8443 11.8516 11.8516 12.0188 12.0188 12.1764 12.1764 12.2607 12.2607 12.6969 12.6969 12.9165 12.9165 12.9296 12.9296 13.7905 13.7905 13.8116 13.8116 14.1509 14.1509 14.1573 14.1573 15.3481 15.3481 18.2864 18.2864 18.3968 18.3968 18.6158 18.6158 k = 0.3111 0.1796 0.1270 ( 4573 PWs) bands (ev): -64.4994 -64.4994 -34.2612 -34.2612 -33.0563 -33.0563 -33.0558 -33.0558 -0.5549 -0.5549 -0.5475 -0.5475 0.2575 0.2575 0.2935 0.2935 0.3215 0.3215 5.7777 5.7777 9.9902 9.9902 11.1127 11.1127 11.1235 11.1235 11.8516 11.8516 11.8635 11.8635 11.9998 11.9998 12.1734 12.1734 12.2625 12.2625 12.6880 12.6880 12.8976 12.8976 12.9111 12.9111 13.7910 13.7910 13.8126 13.8126 14.1545 14.1545 14.1595 14.1595 15.2563 15.2563 18.2783 18.2783 18.3860 18.3860 18.5911 18.5911 k = 0.3222 0.1860 0.1315 ( 4570 PWs) bands (ev): -64.4991 -64.4991 -34.2612 -34.2612 -33.0563 -33.0563 -33.0558 -33.0558 -0.5546 -0.5546 -0.5468 -0.5468 0.2582 0.2582 0.2935 0.2935 0.3229 0.3229 5.8629 5.8629 9.8799 9.8799 11.1144 11.1144 11.1249 11.1249 11.8569 11.8569 11.8745 11.8745 11.9828 11.9828 12.1709 12.1709 12.2650 12.2650 12.6803 12.6803 12.8799 12.8799 12.8930 12.8930 13.7913 13.7913 13.8133 13.8133 14.1595 14.1595 14.1630 14.1630 15.1672 15.1672 18.2726 18.2726 18.3777 18.3777 18.5681 18.5681 k = 0.3333 0.1925 0.1361 ( 4564 PWs) bands (ev): -64.4985 -64.4985 -34.2612 -34.2612 -33.0563 -33.0563 -33.0558 -33.0558 -0.5542 -0.5542 -0.5462 -0.5462 0.2588 0.2588 0.2936 0.2936 0.3242 0.3242 5.9503 5.9503 9.7665 9.7665 11.1162 11.1162 11.1264 11.1264 11.8603 11.8603 11.8845 11.8845 11.9702 11.9702 12.1695 12.1695 12.2685 12.2685 12.6734 12.6734 12.8635 12.8635 12.8754 12.8754 13.7909 13.7909 13.8136 13.8136 14.1658 14.1658 14.1675 14.1675 15.0844 15.0844 18.2689 18.2689 18.3720 18.3720 18.5469 18.5469 k = 0.3444 0.1989 0.1406 ( 4570 PWs) bands (ev): -64.4992 -64.4992 -34.2612 -34.2612 -33.0564 -33.0564 -33.0558 -33.0558 -0.5539 -0.5539 -0.5455 -0.5455 0.2594 0.2594 0.2936 0.2936 0.3255 0.3255 6.0396 6.0396 9.6504 9.6504 11.1177 11.1177 11.1275 11.1275 11.8610 11.8610 11.8933 11.8933 11.9589 11.9589 12.1682 12.1682 12.2721 12.2721 12.6668 12.6668 12.8487 12.8487 12.8584 12.8584 13.7897 13.7897 13.8133 13.8133 14.1673 14.1673 14.1674 14.1674 15.0023 15.0023 18.2672 18.2672 18.3685 18.3685 18.5272 18.5272 k = 0.3556 0.2053 0.1452 ( 4576 PWs) bands (ev): -64.4998 -64.4998 -34.2613 -34.2613 -33.0564 -33.0564 -33.0558 -33.0558 -0.5536 -0.5536 -0.5450 -0.5450 0.2600 0.2600 0.2937 0.2937 0.3266 0.3266 6.1308 6.1308 9.5326 9.5326 11.1189 11.1189 11.1285 11.1285 11.8595 11.8595 11.9010 11.9010 11.9517 11.9517 12.1675 12.1675 12.2762 12.2762 12.6603 12.6603 12.8357 12.8357 12.8421 12.8421 13.7871 13.7871 13.8118 13.8118 14.1677 14.1677 14.1696 14.1696 14.9263 14.9263 18.2669 18.2669 18.3670 18.3670 18.5092 18.5092 k = 0.3667 0.2117 0.1497 ( 4564 PWs) bands (ev): -64.4985 -64.4985 -34.2612 -34.2612 -33.0564 -33.0564 -33.0558 -33.0558 -0.5533 -0.5533 -0.5444 -0.5444 0.2605 0.2605 0.2937 0.2937 0.3278 0.3278 6.2235 6.2235 9.4138 9.4138 11.1215 11.1215 11.1307 11.1307 11.8570 11.8570 11.9083 11.9083 11.9480 11.9480 12.1683 12.1683 12.2814 12.2814 12.6537 12.6537 12.8247 12.8247 12.8265 12.8265 13.7862 13.7862 13.8115 13.8115 14.1761 14.1761 14.1798 14.1798 14.8573 14.8573 18.2701 18.2701 18.3691 18.3691 18.4928 18.4928 k = 0.3778 0.2181 0.1542 ( 4552 PWs) bands (ev): -64.4973 -64.4973 -34.2612 -34.2612 -33.0564 -33.0564 -33.0558 -33.0558 -0.5530 -0.5530 -0.5439 -0.5439 0.2610 0.2610 0.2938 0.2938 0.3289 0.3289 6.3176 6.3176 9.2948 9.2948 11.1239 11.1239 11.1328 11.1328 11.8540 11.8540 11.9147 11.9147 11.9471 11.9471 12.1691 12.1691 12.2865 12.2865 12.6470 12.6470 12.8118 12.8118 12.8159 12.8159 13.7846 13.7846 13.8108 13.8108 14.1829 14.1829 14.1883 14.1883 14.7969 14.7969 18.2752 18.2752 18.3735 18.3735 18.4780 18.4780 k = 0.3889 0.2245 0.1588 ( 4552 PWs) bands (ev): -64.4973 -64.4973 -34.2612 -34.2612 -33.0564 -33.0564 -33.0558 -33.0558 -0.5528 -0.5528 -0.5434 -0.5434 0.2615 0.2615 0.2938 0.2938 0.3299 0.3299 6.4123 6.4123 9.1756 9.1756 11.1258 11.1258 11.1345 11.1345 11.8494 11.8494 11.9200 11.9200 11.9460 11.9460 12.1700 12.1700 12.2914 12.2914 12.6397 12.6397 12.7979 12.7979 12.8090 12.8090 13.7828 13.7828 13.8097 13.8097 14.1855 14.1855 14.1926 14.1926 14.7356 14.7356 18.2824 18.2824 18.3803 18.3803 18.4645 18.4645 k = 0.4000 0.2309 0.1633 ( 4543 PWs) bands (ev): -64.4963 -64.4963 -34.2612 -34.2612 -33.0564 -33.0564 -33.0558 -33.0558 -0.5525 -0.5525 -0.5429 -0.5429 0.2619 0.2619 0.2939 0.2939 0.3308 0.3308 6.5075 6.5075 9.0576 9.0576 11.1283 11.1283 11.1366 11.1366 11.8452 11.8452 11.9249 11.9249 11.9462 11.9462 12.1715 12.1715 12.2964 12.2964 12.6322 12.6322 12.7851 12.7851 12.8041 12.8041 13.7817 13.7817 13.8092 13.8092 14.1928 14.1928 14.2015 14.2015 14.6800 14.6800 18.2923 18.2923 18.3902 18.3902 18.4524 18.4524 k = 0.4111 0.2374 0.1678 ( 4543 PWs) bands (ev): -64.4963 -64.4963 -34.2612 -34.2612 -33.0564 -33.0564 -33.0558 -33.0558 -0.5523 -0.5523 -0.5425 -0.5425 0.2623 0.2623 0.2939 0.2939 0.3316 0.3316 6.6022 6.6022 8.9415 8.9415 11.1302 11.1302 11.1382 11.1382 11.8408 11.8408 11.9288 11.9288 11.9465 11.9465 12.1729 12.1729 12.3011 12.3011 12.6246 12.6246 12.7734 12.7734 12.8007 12.8007 13.7800 13.7800 13.8081 13.8081 14.1953 14.1953 14.2055 14.2055 14.6291 14.6291 18.3038 18.3038 18.4022 18.4022 18.4417 18.4417 k = 0.4222 0.2438 0.1724 ( 4537 PWs) bands (ev): -64.4957 -64.4957 -34.2612 -34.2612 -33.0564 -33.0564 -33.0558 -33.0558 -0.5521 -0.5521 -0.5422 -0.5422 0.2626 0.2626 0.2940 0.2940 0.3324 0.3324 6.6957 6.6957 8.8291 8.8291 11.1320 11.1320 11.1398 11.1398 11.8380 11.8380 11.9321 11.9321 11.9478 11.9478 12.1743 12.1743 12.3054 12.3054 12.6171 12.6171 12.7628 12.7628 12.7988 12.7988 13.7784 13.7784 13.8070 13.8070 14.1984 14.1984 14.2100 14.2100 14.5888 14.5888 18.3175 18.3175 18.4168 18.4168 18.4323 18.4323 k = 0.4333 0.2502 0.1769 ( 4539 PWs) bands (ev): -64.4959 -64.4959 -34.2613 -34.2613 -33.0564 -33.0564 -33.0558 -33.0558 -0.5519 -0.5519 -0.5419 -0.5419 0.2629 0.2629 0.2940 0.2940 0.3330 0.3330 6.7866 6.7866 8.7209 8.7209 11.1336 11.1336 11.1411 11.1411 11.8342 11.8342 11.9348 11.9348 11.9482 11.9482 12.1757 12.1757 12.3094 12.3094 12.6100 12.6100 12.7535 12.7535 12.7979 12.7979 13.7769 13.7769 13.8059 13.8059 14.2002 14.2002 14.2131 14.2131 14.5472 14.5472 18.3332 18.3332 18.4243 18.4243 18.4340 18.4340 k = 0.4444 0.2566 0.1814 ( 4545 PWs) bands (ev): -64.4965 -64.4965 -34.2613 -34.2613 -33.0564 -33.0564 -33.0558 -33.0558 -0.5518 -0.5518 -0.5416 -0.5416 0.2631 0.2631 0.2941 0.2941 0.3336 0.3336 6.8732 6.8732 8.6195 8.6195 11.1349 11.1349 11.1423 11.1423 11.8311 11.8311 11.9358 11.9358 11.9479 11.9479 12.1769 12.1769 12.3128 12.3128 12.6036 12.6036 12.7455 12.7455 12.7978 12.7978 13.7750 13.7750 13.8041 13.8041 14.1996 14.1996 14.2132 14.2132 14.5130 14.5130 18.3504 18.3504 18.4175 18.4175 18.4533 18.4533 k = 0.4556 0.2630 0.1860 ( 4545 PWs) bands (ev): -64.4965 -64.4965 -34.2613 -34.2613 -33.0564 -33.0564 -33.0558 -33.0558 -0.5517 -0.5517 -0.5414 -0.5414 0.2633 0.2633 0.2941 0.2941 0.3340 0.3340 6.9529 6.9529 8.5275 8.5275 11.1358 11.1358 11.1431 11.1431 11.8289 11.8289 11.9377 11.9377 11.9487 11.9487 12.1782 12.1782 12.3159 12.3159 12.5980 12.5980 12.7389 12.7389 12.7981 12.7981 13.7734 13.7734 13.8029 13.8029 14.2011 14.2011 14.2159 14.2159 14.4856 14.4856 18.3691 18.3691 18.4120 18.4120 18.4753 18.4753 k = 0.4667 0.2694 0.1905 ( 4545 PWs) bands (ev): -64.4966 -64.4966 -34.2613 -34.2613 -33.0564 -33.0564 -33.0558 -33.0558 -0.5516 -0.5516 -0.5412 -0.5412 0.2635 0.2635 0.2941 0.2941 0.3344 0.3344 7.0225 7.0225 8.4484 8.4484 11.1367 11.1367 11.1437 11.1437 11.8275 11.8275 11.9387 11.9387 11.9492 11.9492 12.1792 12.1792 12.3183 12.3183 12.5935 12.5935 12.7336 12.7336 12.7986 12.7986 13.7723 13.7723 13.8020 13.8020 14.2008 14.2008 14.2163 14.2163 14.4667 14.4667 18.3888 18.3888 18.4078 18.4078 18.4997 18.4997 k = 0.4778 0.2758 0.1951 ( 4545 PWs) bands (ev): -64.4966 -64.4966 -34.2613 -34.2613 -33.0564 -33.0564 -33.0558 -33.0558 -0.5515 -0.5515 -0.5411 -0.5411 0.2636 0.2636 0.2941 0.2941 0.3347 0.3347 7.0777 7.0777 8.3862 8.3862 11.1373 11.1373 11.1443 11.1443 11.8263 11.8263 11.9396 11.9396 11.9495 11.9495 12.1799 12.1799 12.3200 12.3200 12.5901 12.5901 12.7299 12.7299 12.7991 12.7991 13.7717 13.7717 13.8015 13.8015 14.2016 14.2016 14.2176 14.2176 14.4509 14.4509 18.4043 18.4043 18.4088 18.4088 18.5263 18.5263 k = 0.4889 0.2823 0.1996 ( 4521 PWs) bands (ev): -64.4940 -64.4940 -34.2612 -34.2612 -33.0564 -33.0564 -33.0557 -33.0557 -0.5515 -0.5515 -0.5410 -0.5410 0.2637 0.2637 0.2942 0.2942 0.3348 0.3348 7.1135 7.1135 8.3461 8.3461 11.1400 11.1400 11.1469 11.1469 11.8271 11.8271 11.9422 11.9422 11.9516 11.9516 12.1804 12.1804 12.3211 12.3211 12.5881 12.5881 12.7276 12.7276 12.7995 12.7995 13.7774 13.7774 13.8072 13.8072 14.2057 14.2057 14.2220 14.2220 14.4460 14.4460 18.4028 18.4028 18.4302 18.4302 18.5552 18.5552 k = 0.5000 0.2887 0.2041 ( 4512 PWs) bands (ev): -64.4930 -64.4930 -34.2612 -34.2612 -33.0563 -33.0563 -33.0557 -33.0557 -0.5515 -0.5515 -0.5410 -0.5410 0.2637 0.2637 0.2942 0.2942 0.3349 0.3349 7.1261 7.1261 8.3325 8.3325 11.1403 11.1403 11.1471 11.1471 11.8276 11.8276 11.9431 11.9431 11.9525 11.9525 12.1806 12.1806 12.3215 12.3215 12.5874 12.5874 12.7269 12.7269 12.7996 12.7996 13.7774 13.7774 13.8073 13.8073 14.2099 14.2099 14.2265 14.2265 14.4458 14.4458 18.4022 18.4022 18.4372 18.4372 18.5562 18.5562 k = 0.5000 0.2887 0.2041 ( 4512 PWs) bands (ev): -64.4930 -64.4930 -34.2612 -34.2612 -33.0563 -33.0563 -33.0557 -33.0557 -0.5515 -0.5515 -0.5410 -0.5410 0.2637 0.2637 0.2942 0.2942 0.3349 0.3349 7.1261 7.1261 8.3325 8.3325 11.1403 11.1403 11.1471 11.1471 11.8276 11.8276 11.9431 11.9431 11.9525 11.9525 12.1806 12.1806 12.3215 12.3215 12.5874 12.5874 12.7269 12.7269 12.7996 12.7996 13.7774 13.7774 13.8073 13.8073 14.2099 14.2099 14.2265 14.2265 14.4458 14.4458 18.4022 18.4022 18.4372 18.4372 18.5562 18.5562 k = 0.5039 0.2774 0.2105 ( 4534 PWs) bands (ev): -64.4954 -64.4954 -34.2613 -34.2613 -33.0564 -33.0564 -33.0558 -33.0558 -0.5515 -0.5515 -0.5410 -0.5410 0.2637 0.2637 0.2942 0.2942 0.3348 0.3348 7.1271 7.1271 8.3340 8.3340 11.1376 11.1376 11.1450 11.1450 11.8253 11.8253 11.9412 11.9412 11.9501 11.9501 12.1815 12.1815 12.3221 12.3221 12.5872 12.5872 12.7266 12.7266 12.7999 12.7999 13.7723 13.7723 13.8024 13.8024 14.2054 14.2054 14.2228 14.2228 14.4405 14.4405 18.2796 18.2796 18.3911 18.3911 18.4759 18.4759 k = 0.5078 0.2661 0.2169 ( 4540 PWs) bands (ev): -64.4960 -64.4960 -34.2613 -34.2613 -33.0564 -33.0564 -33.0558 -33.0558 -0.5514 -0.5514 -0.5410 -0.5410 0.2638 0.2638 0.2942 0.2942 0.3347 0.3347 7.1300 7.1300 8.3388 8.3388 11.1329 11.1329 11.1453 11.1453 11.8225 11.8225 11.9407 11.9407 11.9481 11.9481 12.1843 12.1843 12.3241 12.3241 12.5867 12.5867 12.7257 12.7257 12.8006 12.8006 13.7714 13.7714 13.8016 13.8016 14.2024 14.2024 14.2198 14.2198 14.4376 14.4376 18.1009 18.1009 18.2485 18.2485 18.4634 18.4634 k = 0.5117 0.2548 0.2233 ( 4542 PWs) bands (ev): -64.4963 -64.4963 -34.2613 -34.2613 -33.0564 -33.0564 -33.0558 -33.0558 -0.5514 -0.5514 -0.5410 -0.5410 0.2638 0.2638 0.2943 0.2943 0.3346 0.3346 7.1350 7.1350 8.3470 8.3470 11.1238 11.1238 11.1482 11.1482 11.8183 11.8183 11.9394 11.9394 11.9469 11.9469 12.1887 12.1887 12.3272 12.3272 12.5859 12.5859 12.7243 12.7243 12.8017 12.8017 13.7710 13.7710 13.8012 13.8012 14.1997 14.1997 14.2174 14.2174 14.4353 14.4353 17.9135 17.9135 18.1009 18.1009 18.4567 18.4567 k = 0.5156 0.2436 0.2296 ( 4545 PWs) bands (ev): -64.4966 -64.4966 -34.2613 -34.2613 -33.0564 -33.0564 -33.0559 -33.0559 -0.5513 -0.5513 -0.5411 -0.5411 0.2639 0.2639 0.2944 0.2944 0.3343 0.3343 7.1420 7.1420 8.3585 8.3585 11.1096 11.1096 11.1528 11.1528 11.8119 11.8119 11.9360 11.9360 11.9479 11.9479 12.1944 12.1944 12.3315 12.3315 12.5847 12.5847 12.7224 12.7224 12.8034 12.8034 13.7689 13.7689 13.7996 13.7996 14.1986 14.1986 14.2163 14.2163 14.4314 14.4314 17.7220 17.7220 17.9554 17.9554 18.4491 18.4491 k = 0.5195 0.2323 0.2360 ( 4541 PWs) bands (ev): -64.4962 -64.4962 -34.2613 -34.2613 -33.0564 -33.0564 -33.0559 -33.0559 -0.5513 -0.5513 -0.5411 -0.5411 0.2640 0.2640 0.2945 0.2945 0.3340 0.3340 7.1509 7.1509 8.3732 8.3732 11.0928 11.0928 11.1590 11.1590 11.8040 11.8040 11.9321 11.9321 11.9507 11.9507 12.2013 12.2013 12.3366 12.3366 12.5831 12.5831 12.7200 12.7200 12.8055 12.8055 13.7684 13.7684 13.7994 13.7994 14.1975 14.1975 14.2158 14.2158 14.4290 14.4290 17.5320 17.5320 17.8126 17.8126 18.4401 18.4401 k = 0.5234 0.2210 0.2424 ( 4543 PWs) bands (ev): -64.4964 -64.4964 -34.2613 -34.2613 -33.0564 -33.0564 -33.0559 -33.0559 -0.5512 -0.5512 -0.5411 -0.5411 0.2642 0.2642 0.2947 0.2947 0.3336 0.3336 7.1618 7.1618 8.3911 8.3911 11.0718 11.0718 11.1663 11.1663 11.7936 11.7936 11.9278 11.9278 11.9542 11.9542 12.2088 12.2088 12.3425 12.3425 12.5811 12.5811 12.7172 12.7172 12.8081 12.8081 13.7669 13.7669 13.7984 13.7984 14.1922 14.1922 14.2142 14.2142 14.4249 14.4249 17.3432 17.3432 17.6717 17.6717 18.4298 18.4298 k = 0.5273 0.2097 0.2488 ( 4540 PWs) bands (ev): -64.4961 -64.4961 -34.2613 -34.2613 -33.0564 -33.0564 -33.0559 -33.0559 -0.5511 -0.5511 -0.5412 -0.5412 0.2643 0.2643 0.2949 0.2949 0.3332 0.3332 7.1746 7.1746 8.4122 8.4122 11.0475 11.0475 11.1754 11.1754 11.7813 11.7813 11.9232 11.9232 11.9598 11.9598 12.2169 12.2169 12.3488 12.3488 12.5788 12.5788 12.7141 12.7141 12.8112 12.8112 13.7662 13.7662 13.7983 13.7983 14.1878 14.1878 14.2127 14.2127 14.4215 14.4215 17.1572 17.1572 17.5337 17.5337 18.4187 18.4187 k = 0.5312 0.1985 0.2552 ( 4540 PWs) bands (ev): -64.4961 -64.4961 -34.2613 -34.2613 -33.0564 -33.0564 -33.0559 -33.0559 -0.5509 -0.5509 -0.5412 -0.5412 0.2644 0.2644 0.2951 0.2951 0.3327 0.3327 7.1893 7.1893 8.4364 8.4364 11.0191 11.0191 11.1857 11.1857 11.7668 11.7668 11.9187 11.9187 11.9665 11.9665 12.2252 12.2252 12.3553 12.3553 12.5761 12.5761 12.7108 12.7108 12.8147 12.8147 13.7641 13.7641 13.7970 13.7970 14.1819 14.1819 14.2123 14.2123 14.4166 14.4166 16.9736 16.9736 17.3975 17.3975 18.4069 18.4069 k = 0.5352 0.1872 0.2615 ( 4534 PWs) bands (ev): -64.4954 -64.4954 -34.2613 -34.2613 -33.0564 -33.0564 -33.0559 -33.0559 -0.5508 -0.5508 -0.5413 -0.5413 0.2646 0.2646 0.2953 0.2953 0.3322 0.3322 7.2059 7.2059 8.4638 8.4638 10.9873 10.9873 11.1979 11.1979 11.7509 11.7509 11.9148 11.9148 11.9747 11.9747 12.2339 12.2339 12.3619 12.3619 12.5730 12.5730 12.7075 12.7075 12.8187 12.8187 13.7626 13.7626 13.7969 13.7969 14.1760 14.1760 14.2138 14.2138 14.4135 14.4135 16.7938 16.7938 17.2646 17.2646 18.3947 18.3947 k = 0.5391 0.1759 0.2679 ( 4533 PWs) bands (ev): -64.4953 -64.4953 -34.2613 -34.2613 -33.0564 -33.0564 -33.0559 -33.0559 -0.5507 -0.5507 -0.5413 -0.5413 0.2648 0.2648 0.2956 0.2956 0.3317 0.3317 7.2244 7.2244 8.4941 8.4941 10.9522 10.9522 11.2114 11.2114 11.7331 11.7331 11.9101 11.9101 11.9840 11.9840 12.2424 12.2424 12.3681 12.3681 12.5697 12.5697 12.7041 12.7041 12.8230 12.8230 13.7609 13.7609 13.7966 13.7966 14.1673 14.1673 14.2116 14.2116 14.4090 14.4090 16.6188 16.6188 17.1339 17.1339 18.3822 18.3822 k = 0.5430 0.1646 0.2743 ( 4539 PWs) bands (ev): -64.4959 -64.4959 -34.2613 -34.2613 -33.0564 -33.0564 -33.0559 -33.0559 -0.5505 -0.5505 -0.5414 -0.5414 0.2649 0.2649 0.2959 0.2959 0.3311 0.3311 7.2446 7.2446 8.5273 8.5273 10.9131 10.9131 11.2256 11.2256 11.7135 11.7135 11.9055 11.9055 11.9936 11.9936 12.2507 12.2507 12.3738 12.3738 12.5661 12.5661 12.7009 12.7009 12.8275 12.8275 13.7571 13.7571 13.7947 13.7947 14.1577 14.1577 14.2098 14.2098 14.4007 14.4007 16.4472 16.4472 17.0047 17.0047 18.3694 18.3694 k = 0.5469 0.1534 0.2807 ( 4541 PWs) bands (ev): -64.4961 -64.4961 -34.2613 -34.2613 -33.0564 -33.0564 -33.0559 -33.0559 -0.5504 -0.5504 -0.5415 -0.5415 0.2651 0.2651 0.2963 0.2963 0.3305 0.3305 7.2666 7.2666 8.5635 8.5635 10.8708 10.8708 11.2411 11.2411 11.6931 11.6931 11.9010 11.9010 12.0053 12.0053 12.2588 12.2588 12.3790 12.3790 12.5622 12.5622 12.6980 12.6980 12.8322 12.8322 13.7532 13.7532 13.7926 13.7926 14.1480 14.1480 14.2091 14.2091 14.3954 14.3954 16.2807 16.2807 16.8776 16.8776 18.3570 18.3570 k = 0.5508 0.1421 0.2870 ( 4540 PWs) bands (ev): -64.4960 -64.4960 -34.2613 -34.2613 -33.0564 -33.0564 -33.0559 -33.0559 -0.5502 -0.5502 -0.5416 -0.5416 0.2652 0.2652 0.2967 0.2967 0.3298 0.3298 7.2903 7.2903 8.6025 8.6025 10.8254 10.8254 11.2579 11.2579 11.6718 11.6718 11.8972 11.8972 12.0187 12.0187 12.2665 12.2665 12.3837 12.3837 12.5581 12.5581 12.6956 12.6956 12.8370 12.8370 13.7497 13.7497 13.7915 13.7915 14.1366 14.1366 14.2090 14.2090 14.3910 14.3910 16.1208 16.1208 16.7534 16.7534 18.3449 18.3449 k = 0.5547 0.1308 0.2934 ( 4544 PWs) bands (ev): -64.4964 -64.4964 -34.2613 -34.2613 -33.0564 -33.0564 -33.0560 -33.0560 -0.5501 -0.5501 -0.5416 -0.5416 0.2653 0.2653 0.2971 0.2971 0.3292 0.3292 7.3157 7.3157 8.6443 8.6443 10.7765 10.7765 11.2755 11.2755 11.6494 11.6494 11.8930 11.8930 12.0322 12.0322 12.2734 12.2734 12.3877 12.3877 12.5535 12.5535 12.6937 12.6937 12.8418 12.8418 13.7444 13.7444 13.7882 13.7882 14.1266 14.1266 14.2098 14.2098 14.3849 14.3849 15.9650 15.9650 16.6304 16.6304 18.3330 18.3330 k = 0.5586 0.1195 0.2998 ( 4544 PWs) bands (ev): -64.4964 -64.4964 -34.2613 -34.2613 -33.0564 -33.0564 -33.0560 -33.0560 -0.5500 -0.5500 -0.5417 -0.5417 0.2654 0.2654 0.2975 0.2975 0.3286 0.3286 7.3426 7.3426 8.6887 8.6887 10.7250 10.7250 11.2946 11.2946 11.6265 11.6265 11.8893 11.8893 12.0468 12.0468 12.2796 12.2796 12.3915 12.3915 12.5486 12.5486 12.6926 12.6926 12.8465 12.8465 13.7396 13.7396 13.7855 13.7855 14.1158 14.1158 14.2115 14.2115 14.3802 14.3802 15.8167 15.8167 16.5103 16.5103 18.3217 18.3217 k = 0.5625 0.1083 0.3062 ( 4550 PWs) bands (ev): -64.4970 -64.4970 -34.2613 -34.2613 -33.0564 -33.0564 -33.0560 -33.0560 -0.5499 -0.5499 -0.5418 -0.5418 0.2655 0.2655 0.2979 0.2979 0.3280 0.3280 7.3710 7.3710 8.7354 8.7354 10.6700 10.6700 11.3146 11.3146 11.6027 11.6027 11.8852 11.8852 12.0626 12.0626 12.2845 12.2845 12.3952 12.3952 12.5431 12.5431 12.6921 12.6921 12.8509 12.8509 13.7341 13.7341 13.7820 13.7820 14.1033 14.1033 14.2113 14.2113 14.3738 14.3738 15.6738 15.6738 16.3923 16.3923 18.3104 18.3104 k = 0.5664 0.0970 0.3126 ( 4547 PWs) bands (ev): -64.4967 -64.4967 -34.2613 -34.2613 -33.0564 -33.0564 -33.0560 -33.0560 -0.5498 -0.5498 -0.5418 -0.5418 0.2656 0.2656 0.2983 0.2983 0.3274 0.3274 7.4008 7.4008 8.7847 8.7847 10.6128 10.6128 11.3359 11.3359 11.5789 11.5789 11.8819 11.8819 12.0790 12.0790 12.2883 12.2883 12.3992 12.3992 12.5371 12.5371 12.6924 12.6924 12.8551 12.8551 13.7290 13.7290 13.7787 13.7787 14.0947 14.0947 14.2146 14.2146 14.3704 14.3704 15.5391 15.5391 16.2769 16.2769 18.3003 18.3003 k = 0.5703 0.0857 0.3189 ( 4549 PWs) bands (ev): -64.4969 -64.4969 -34.2613 -34.2613 -33.0564 -33.0564 -33.0560 -33.0560 -0.5497 -0.5497 -0.5419 -0.5419 0.2656 0.2656 0.2987 0.2987 0.3269 0.3269 7.4318 7.4318 8.8360 8.8360 10.5528 10.5528 11.3582 11.3582 11.5549 11.5549 11.8789 11.8789 12.0951 12.0951 12.2908 12.2908 12.4037 12.4037 12.5305 12.5305 12.6933 12.6933 12.8589 12.8589 13.7237 13.7237 13.7754 13.7754 14.0792 14.0792 14.2183 14.2183 14.3664 14.3664 15.4117 15.4117 16.1643 16.1643 18.2901 18.2901 k = 0.5742 0.0744 0.3253 ( 4551 PWs) bands (ev): -64.4971 -64.4971 -34.2614 -34.2614 -33.0564 -33.0564 -33.0560 -33.0560 -0.5496 -0.5496 -0.5419 -0.5419 0.2656 0.2656 0.2991 0.2991 0.3265 0.3265 7.4640 7.4640 8.8895 8.8895 10.4905 10.4905 11.3813 11.3813 11.5307 11.5307 11.8756 11.8756 12.1113 12.1113 12.2921 12.2921 12.4089 12.4089 12.5232 12.5232 12.6946 12.6946 12.8624 12.8624 13.7182 13.7182 13.7710 13.7710 14.0652 14.0652 14.2222 14.2222 14.3637 14.3637 15.2920 15.2920 16.0536 16.0536 18.2805 18.2805 k = 0.5781 0.0631 0.3317 ( 4551 PWs) bands (ev): -64.4971 -64.4971 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5496 -0.5496 -0.5419 -0.5419 0.2656 0.2656 0.2995 0.2995 0.3261 0.3261 7.4971 7.4971 8.9446 8.9446 10.4258 10.4258 11.4054 11.4054 11.5067 11.5067 11.8730 11.8730 12.1278 12.1278 12.2924 12.2924 12.4146 12.4146 12.5156 12.5156 12.6962 12.6962 12.8655 12.8655 13.7128 13.7128 13.7670 13.7670 14.0509 14.0509 14.2276 14.2276 14.3628 14.3628 15.1790 15.1790 15.9457 15.9457 18.2716 18.2716 k = 0.5820 0.0519 0.3381 ( 4547 PWs) bands (ev): -64.4967 -64.4967 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5496 -0.5496 -0.5419 -0.5419 0.2655 0.2655 0.2998 0.2998 0.3257 0.3257 7.5310 7.5310 9.0012 9.0012 10.3601 10.3601 11.4302 11.4302 11.4829 11.4829 11.8705 11.8705 12.1442 12.1442 12.2924 12.2924 12.4205 12.4205 12.5078 12.5078 12.6979 12.6979 12.8682 12.8682 13.7083 13.7083 13.7627 13.7627 14.0381 14.0381 14.2337 14.2337 14.3624 14.3624 15.0771 15.0771 15.8404 15.8404 18.2634 18.2634 k = 0.5859 0.0406 0.3445 ( 4543 PWs) bands (ev): -64.4962 -64.4962 -34.2613 -34.2613 -33.0564 -33.0564 -33.0561 -33.0561 -0.5496 -0.5496 -0.5419 -0.5419 0.2655 0.2655 0.3001 0.3001 0.3255 0.3255 7.5654 7.5654 9.0587 9.0587 10.2930 10.2930 11.4519 11.4519 11.4633 11.4633 11.8687 11.8687 12.1595 12.1595 12.2925 12.2925 12.4261 12.4261 12.5007 12.5007 12.6995 12.6995 12.8707 12.8707 13.7037 13.7037 13.7578 13.7578 14.0237 14.0237 14.2426 14.2426 14.3638 14.3638 14.9819 14.9819 15.7373 15.7373 18.2559 18.2559 k = 0.5898 0.0293 0.3508 ( 4539 PWs) bands (ev): -64.4958 -64.4958 -34.2613 -34.2613 -33.0564 -33.0564 -33.0560 -33.0560 -0.5496 -0.5496 -0.5419 -0.5419 0.2654 0.2654 0.3003 0.3003 0.3254 0.3254 7.6000 7.6000 9.1167 9.1167 10.2257 10.2257 11.4356 11.4356 11.4830 11.4830 11.8670 11.8670 12.1729 12.1729 12.2936 12.2936 12.4304 12.4304 12.4948 12.4948 12.7006 12.7006 12.8729 12.8729 13.6993 13.6993 13.7527 13.7527 14.0083 14.0083 14.2511 14.2511 14.3663 14.3663 14.8969 14.8969 15.6367 15.6367 18.2493 18.2493 k = 0.5938 0.0180 0.3572 ( 4542 PWs) bands (ev): -64.4961 -64.4961 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5497 -0.5497 -0.5419 -0.5419 0.2652 0.2652 0.3005 0.3005 0.3253 0.3253 7.6345 7.6345 9.1741 9.1741 10.1588 10.1588 11.4136 11.4136 11.5091 11.5091 11.8652 11.8652 12.1839 12.1839 12.2957 12.2957 12.4319 12.4319 12.4917 12.4917 12.7010 12.7010 12.8750 12.8750 13.6948 13.6948 13.7473 13.7473 13.9890 13.9890 14.2588 14.2588 14.3686 14.3686 14.8176 14.8176 15.5388 15.5388 18.2422 18.2422 k = 0.5977 0.0068 0.3636 ( 4540 PWs) bands (ev): -64.4959 -64.4959 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5498 -0.5498 -0.5418 -0.5418 0.2651 0.2651 0.3006 0.3006 0.3254 0.3254 7.6685 7.6685 9.2301 9.2301 10.0939 10.0939 11.3926 11.3926 11.5363 11.5363 11.8643 11.8643 12.1919 12.1919 12.3003 12.3003 12.4295 12.4295 12.4926 12.4926 12.7007 12.7007 12.8770 12.8770 13.6907 13.6907 13.7429 13.7429 13.9714 13.9714 14.2688 14.2688 14.3723 14.3723 14.7466 14.7466 15.4449 15.4449 18.2358 18.2358 k = 0.6016-0.0045 0.3700 ( 4542 PWs) bands (ev): -64.4961 -64.4961 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5500 -0.5500 -0.5417 -0.5417 0.2649 0.2649 0.3006 0.3006 0.3255 0.3255 7.7016 7.7016 9.2827 9.2827 10.0335 10.0335 11.3724 11.3724 11.5632 11.5632 11.8632 11.8632 12.1970 12.1970 12.3068 12.3068 12.4234 12.4234 12.4972 12.4972 12.6994 12.6994 12.8793 12.8793 13.6861 13.6861 13.7375 13.7375 13.9528 13.9528 14.2783 14.2783 14.3775 14.3775 14.6837 14.6837 15.3524 15.3524 18.2298 18.2298 k = 0.6055-0.0158 0.3764 ( 4546 PWs) bands (ev): -64.4965 -64.4965 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5501 -0.5501 -0.5417 -0.5417 0.2647 0.2647 0.3006 0.3006 0.3257 0.3257 7.7330 7.7330 9.3291 9.3291 9.9804 9.9804 11.3535 11.3535 11.5901 11.5901 11.8628 11.8628 12.1992 12.1992 12.3148 12.3148 12.4149 12.4149 12.5043 12.5043 12.6970 12.6970 12.8818 12.8818 13.6810 13.6810 13.7325 13.7325 13.9337 13.9337 14.2894 14.2894 14.3817 14.3817 14.6276 14.6276 15.2635 15.2635 18.2235 18.2235 k = 0.6094-0.0271 0.3827 ( 4549 PWs) bands (ev): -64.4968 -64.4968 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5503 -0.5503 -0.5416 -0.5416 0.2645 0.2645 0.3005 0.3005 0.3260 0.3260 7.7622 7.7622 9.3655 9.3655 9.9397 9.9397 11.3365 11.3365 11.6169 11.6169 11.8629 11.8629 12.1993 12.1993 12.3234 12.3234 12.4054 12.4054 12.5128 12.5128 12.6938 12.6938 12.8847 12.8847 13.6759 13.6759 13.7283 13.7283 13.9153 13.9153 14.3011 14.3011 14.3887 14.3887 14.5770 14.5770 15.1782 15.1782 18.2181 18.2181 k = 0.6133-0.0383 0.3891 ( 4543 PWs) bands (ev): -64.4961 -64.4961 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5506 -0.5506 -0.5415 -0.5415 0.2643 0.2643 0.3004 0.3004 0.3263 0.3263 7.7885 7.7885 9.3869 9.3869 9.9170 9.9170 11.3212 11.3212 11.6439 11.6439 11.8638 11.8638 12.1984 12.1984 12.3320 12.3320 12.3959 12.3959 12.5222 12.5222 12.6899 12.6899 12.8883 12.8883 13.6717 13.6717 13.7258 13.7258 13.9000 13.9000 14.3142 14.3142 14.3998 14.3998 14.5361 14.5361 15.0981 15.0981 18.2138 18.2138 k = 0.6172-0.0496 0.3955 ( 4547 PWs) bands (ev): -64.4965 -64.4965 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5508 -0.5508 -0.5414 -0.5414 0.2640 0.2640 0.3003 0.3003 0.3267 0.3267 7.8106 7.8106 9.3901 9.3901 9.9160 9.9160 11.3076 11.3076 11.6702 11.6702 11.8644 11.8644 12.1956 12.1956 12.3390 12.3390 12.3868 12.3868 12.5318 12.5318 12.6851 12.6851 12.8925 12.8925 13.6668 13.6668 13.7238 13.7238 13.8872 13.8872 14.3230 14.3230 14.4049 14.4049 14.4987 14.4987 15.0226 15.0226 18.2089 18.2089 k = 0.6211-0.0609 0.4019 ( 4536 PWs) bands (ev): -64.4954 -64.4954 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5511 -0.5511 -0.5413 -0.5413 0.2637 0.2637 0.3001 0.3001 0.3271 0.3271 7.8278 7.8278 9.3765 9.3765 9.9373 9.9373 11.2960 11.2960 11.6957 11.6957 11.8659 11.8659 12.1940 12.1940 12.3434 12.3434 12.3803 12.3803 12.5416 12.5416 12.6798 12.6798 12.8977 12.8977 13.6623 13.6623 13.7233 13.7233 13.8782 13.8782 14.3320 14.3320 14.4163 14.4163 14.4765 14.4765 14.9536 14.9536 18.2060 18.2060 k = 0.6250-0.0722 0.4082 ( 4538 PWs) bands (ev): -64.4956 -64.4956 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5513 -0.5513 -0.5412 -0.5412 0.2635 0.2635 0.3000 0.3000 0.3275 0.3275 7.8384 7.8384 9.3514 9.3514 9.9757 9.9757 11.2866 11.2866 11.7194 11.7194 11.8673 11.8673 12.1912 12.1912 12.3428 12.3428 12.3774 12.3774 12.5511 12.5511 12.6740 12.6740 12.9037 12.9037 13.6561 13.6561 13.7231 13.7231 13.8685 13.8685 14.3350 14.3350 14.4157 14.4157 14.4637 14.4637 14.8907 14.8907 18.2024 18.2024 k = 0.6250-0.0722 0.4082 ( 4538 PWs) bands (ev): -64.4956 -64.4956 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5513 -0.5513 -0.5412 -0.5412 0.2635 0.2635 0.3000 0.3000 0.3275 0.3275 7.8384 7.8384 9.3514 9.3514 9.9757 9.9757 11.2866 11.2866 11.7194 11.7194 11.8673 11.8673 12.1912 12.1912 12.3428 12.3428 12.3774 12.3774 12.5511 12.5511 12.6740 12.6740 12.9037 12.9037 13.6561 13.6561 13.7231 13.7231 13.8685 13.8685 14.3350 14.3350 14.4157 14.4157 14.4637 14.4637 14.8907 14.8907 18.2024 18.2024 k = 0.6184-0.0684 0.4190 ( 4534 PWs) bands (ev): -64.4951 -64.4951 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5513 -0.5513 -0.5412 -0.5412 0.2635 0.2635 0.3000 0.3000 0.3275 0.3275 7.8390 7.8390 9.3527 9.3527 9.9761 9.9761 11.2842 11.2842 11.7205 11.7205 11.8680 11.8680 12.1908 12.1908 12.3420 12.3420 12.3760 12.3760 12.5522 12.5522 12.6747 12.6747 12.9039 12.9039 13.6569 13.6569 13.7234 13.7234 13.8704 13.8704 14.3354 14.3354 14.4162 14.4162 14.4642 14.4642 14.8858 14.8858 18.2154 18.2154 k = 0.6118-0.0646 0.4297 ( 4538 PWs) bands (ev): -64.4956 -64.4956 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5513 -0.5513 -0.5412 -0.5412 0.2634 0.2634 0.3001 0.3001 0.3273 0.3273 7.8406 7.8406 9.3564 9.3564 9.9769 9.9769 11.2759 11.2759 11.7226 11.7226 11.8692 11.8692 12.1893 12.1893 12.3387 12.3387 12.3722 12.3722 12.5550 12.5550 12.6765 12.6765 12.9045 12.9045 13.6561 13.6561 13.7236 13.7236 13.8733 13.8733 14.3319 14.3319 14.4149 14.4149 14.4620 14.4620 14.8686 14.8686 18.2518 18.2518 k = 0.6053-0.0608 0.4405 ( 4540 PWs) bands (ev): -64.4958 -64.4958 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5512 -0.5512 -0.5413 -0.5413 0.2634 0.2634 0.3004 0.3004 0.3272 0.3272 7.8434 7.8434 9.3626 9.3626 9.9782 9.9782 11.2623 11.2623 11.7262 11.7262 11.8716 11.8716 12.1867 12.1867 12.3316 12.3316 12.3689 12.3689 12.5584 12.5584 12.6798 12.6798 12.9054 12.9054 13.6561 13.6561 13.7241 13.7241 13.8787 13.8787 14.3283 14.3283 14.4129 14.4129 14.4591 14.4591 14.8421 14.8421 18.3115 18.3115 k = 0.5987-0.0570 0.4512 ( 4554 PWs) bands (ev): -64.4973 -64.4973 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5511 -0.5511 -0.5413 -0.5413 0.2633 0.2633 0.3007 0.3007 0.3269 0.3269 7.8470 7.8470 9.3711 9.3711 9.9796 9.9796 11.2439 11.2439 11.7309 11.7309 11.8741 11.8741 12.1822 12.1822 12.3196 12.3196 12.3670 12.3670 12.5611 12.5611 12.6849 12.6849 12.9067 12.9067 13.6549 13.6549 13.7242 13.7242 13.8832 13.8832 14.3193 14.3193 14.4072 14.4072 14.4527 14.4527 14.8055 14.8055 18.3929 18.3929 k = 0.5921-0.0532 0.4620 ( 4548 PWs) bands (ev): -64.4966 -64.4966 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5509 -0.5509 -0.5414 -0.5414 0.2633 0.2633 0.3011 0.3011 0.3266 0.3266 7.8518 7.8518 9.3822 9.3822 9.9818 9.9818 11.2220 11.2220 11.7372 11.7372 11.8784 11.8784 12.1779 12.1779 12.3048 12.3048 12.3678 12.3678 12.5624 12.5624 12.6922 12.6922 12.9083 12.9083 13.6562 13.6562 13.7254 13.7254 13.8953 13.8953 14.3136 14.3136 14.4055 14.4055 14.4504 14.4504 14.7658 14.7658 18.4965 18.4965 k = 0.5855-0.0494 0.4727 ( 4546 PWs) bands (ev): -64.4964 -64.4964 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5508 -0.5508 -0.5415 -0.5415 0.2632 0.2632 0.3016 0.3016 0.3262 0.3262 7.8576 7.8576 9.3958 9.3958 9.9839 9.9839 11.1955 11.1955 11.7439 11.7439 11.8834 11.8834 12.1728 12.1728 12.2882 12.2882 12.3696 12.3696 12.5617 12.5617 12.7012 12.7012 12.9102 12.9102 13.6565 13.6565 13.7264 13.7264 13.9083 13.9083 14.3063 14.3063 14.4020 14.4020 14.4476 14.4476 14.7204 14.7204 18.6174 18.6174 k = 0.5789-0.0456 0.4835 ( 4551 PWs) bands (ev): -64.4970 -64.4970 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5506 -0.5506 -0.5416 -0.5416 0.2631 0.2631 0.3021 0.3021 0.3257 0.3257 7.8641 7.8641 9.4118 9.4118 9.9852 9.9852 11.1652 11.1652 11.7507 11.7507 11.8894 11.8894 12.1662 12.1662 12.2705 12.2705 12.3721 12.3721 12.5591 12.5591 12.7113 12.7113 12.9124 12.9124 13.6568 13.6568 13.7271 13.7271 13.9206 13.9206 14.2982 14.2982 14.3934 14.3934 14.4426 14.4426 14.6718 14.6718 18.7530 18.7530 k = 0.5724-0.0418 0.4942 ( 4551 PWs) bands (ev): -64.4969 -64.4969 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5504 -0.5504 -0.5417 -0.5417 0.2630 0.2630 0.3027 0.3027 0.3252 0.3252 7.8715 7.8715 9.4301 9.4301 9.9862 9.9862 11.1324 11.1324 11.7581 11.7581 11.8959 11.8959 12.1581 12.1581 12.2535 12.2535 12.3751 12.3751 12.5550 12.5550 12.7224 12.7224 12.9147 12.9147 13.6572 13.6572 13.7279 13.7279 13.9375 13.9375 14.2892 14.2892 14.3852 14.3852 14.4384 14.4384 14.6238 14.6238 18.9040 18.9040 k = 0.5658-0.0380 0.5049 ( 4553 PWs) bands (ev): -64.4971 -64.4971 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5501 -0.5501 -0.5419 -0.5419 0.2630 0.2630 0.3033 0.3033 0.3246 0.3246 7.8795 7.8795 9.4508 9.4508 9.9860 9.9860 11.0973 11.0973 11.7658 11.7658 11.9028 11.9028 12.1485 12.1485 12.2378 12.2378 12.3779 12.3779 12.5497 12.5497 12.7337 12.7337 12.9172 12.9172 13.6580 13.6580 13.7286 13.7286 13.9555 13.9555 14.2770 14.2770 14.3751 14.3751 14.4347 14.4347 14.5763 14.5763 19.0675 19.0675 k = 0.5592-0.0342 0.5157 ( 4549 PWs) bands (ev): -64.4967 -64.4967 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5499 -0.5499 -0.5420 -0.5420 0.2629 0.2629 0.3040 0.3040 0.3241 0.3241 7.8882 7.8882 9.4739 9.4739 9.9839 9.9839 11.0611 11.0611 11.7736 11.7736 11.9112 11.9112 12.1370 12.1370 12.2239 12.2239 12.3814 12.3814 12.5437 12.5437 12.7449 12.7449 12.9197 12.9197 13.6587 13.6587 13.7293 13.7293 13.9775 13.9775 14.2696 14.2696 14.3628 14.3628 14.4296 14.4296 14.5339 14.5339 19.2418 19.2418 k = 0.5526-0.0304 0.5264 ( 4551 PWs) bands (ev): -64.4969 -64.4969 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5496 -0.5496 -0.5422 -0.5422 0.2628 0.2628 0.3047 0.3047 0.3234 0.3234 7.8972 7.8972 9.4991 9.4991 9.9797 9.9797 11.0245 11.0245 11.7809 11.7809 11.9190 11.9190 12.1237 12.1237 12.2123 12.2123 12.3842 12.3842 12.5373 12.5373 12.7556 12.7556 12.9222 12.9222 13.6593 13.6593 13.7296 13.7296 13.9989 13.9989 14.2560 14.2560 14.3479 14.3479 14.4228 14.4228 14.4972 14.4972 19.4260 19.4260 k = 0.5461-0.0266 0.5372 ( 4551 PWs) bands (ev): -64.4969 -64.4969 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5494 -0.5494 -0.5424 -0.5424 0.2628 0.2628 0.3055 0.3055 0.3228 0.3228 7.9063 7.9063 9.5266 9.5266 9.9722 9.9722 10.9887 10.9887 11.7878 11.7878 11.9278 11.9278 12.1088 12.1088 12.2029 12.2029 12.3871 12.3871 12.5310 12.5310 12.7655 12.7655 12.9246 12.9246 13.6601 13.6601 13.7298 13.7298 14.0220 14.0220 14.2457 14.2457 14.3302 14.3302 14.4128 14.4128 14.4685 14.4685 19.6177 19.6177 k = 0.5395-0.0228 0.5479 ( 4547 PWs) bands (ev): -64.4965 -64.4965 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5491 -0.5491 -0.5425 -0.5425 0.2627 0.2627 0.3062 0.3062 0.3221 0.3221 7.9156 7.9156 9.5563 9.5563 9.9610 9.9610 10.9548 10.9548 11.7944 11.7944 11.9369 11.9369 12.0934 12.0934 12.1955 12.1955 12.3898 12.3898 12.5250 12.5250 12.7744 12.7744 12.9268 12.9268 13.6612 13.6612 13.7300 13.7300 14.0469 14.0469 14.2359 14.2359 14.3129 14.3129 14.3995 14.3995 14.4505 14.4505 19.8161 19.8161 k = 0.5329-0.0190 0.5587 ( 4545 PWs) bands (ev): -64.4963 -64.4963 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5488 -0.5488 -0.5427 -0.5427 0.2627 0.2627 0.3069 0.3069 0.3215 0.3215 7.9244 7.9244 9.5881 9.5881 9.9451 9.9451 10.9242 10.9242 11.8006 11.8006 11.9464 11.9464 12.0777 12.0777 12.1898 12.1898 12.3921 12.3921 12.5195 12.5195 12.7820 12.7820 12.9287 12.9287 13.6620 13.6620 13.7298 13.7298 14.0722 14.0722 14.2271 14.2271 14.2929 14.2929 14.3833 14.3833 14.4391 14.4391 20.0185 20.0185 k = 0.5263-0.0152 0.5694 ( 4541 PWs) bands (ev): -64.4959 -64.4959 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5486 -0.5486 -0.5428 -0.5428 0.2627 0.2627 0.3075 0.3075 0.3209 0.3209 7.9327 7.9327 9.6219 9.6219 9.9245 9.9245 10.8979 10.8979 11.8058 11.8058 11.9558 11.9558 12.0629 12.0629 12.1852 12.1852 12.3939 12.3939 12.5150 12.5150 12.7884 12.7884 12.9304 12.9304 13.6632 13.6632 13.7296 13.7296 14.0969 14.0969 14.2184 14.2184 14.2742 14.2742 14.3697 14.3697 14.4323 14.4323 20.2224 20.2224 k = 0.5197-0.0114 0.5801 ( 4546 PWs) bands (ev): -64.4964 -64.4964 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5484 -0.5484 -0.5429 -0.5429 0.2627 0.2627 0.3081 0.3081 0.3204 0.3204 7.9400 7.9400 9.6573 9.6573 9.8984 9.8984 10.8766 10.8766 11.8095 11.8095 11.9645 11.9645 12.0489 12.0489 12.1808 12.1808 12.3952 12.3952 12.5113 12.5113 12.7933 12.7933 12.9316 12.9316 13.6637 13.6637 13.7290 13.7290 14.1210 14.1210 14.2101 14.2101 14.2537 14.2537 14.3549 14.3549 14.4242 14.4242 20.4207 20.4207 k = 0.5132-0.0076 0.5909 ( 4548 PWs) bands (ev): -64.4966 -64.4966 -34.2614 -34.2614 -33.0564 -33.0564 -33.0562 -33.0562 -0.5483 -0.5483 -0.5430 -0.5430 0.2626 0.2626 0.3085 0.3085 0.3200 0.3200 7.9458 7.9458 9.6937 9.6937 9.8677 9.8677 10.8614 10.8614 11.8122 11.8122 11.9721 11.9721 12.0371 12.0371 12.1798 12.1798 12.3958 12.3958 12.5086 12.5086 12.7968 12.7968 12.9325 12.9325 13.6641 13.6641 13.7284 13.7284 14.1395 14.1395 14.2029 14.2029 14.2363 14.2363 14.3433 14.3433 14.4231 14.4231 20.5992 20.5992 k = 0.5066-0.0038 0.6016 ( 4540 PWs) bands (ev): -64.4958 -64.4958 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5482 -0.5482 -0.5431 -0.5431 0.2626 0.2626 0.3088 0.3088 0.3197 0.3197 7.9497 7.9497 9.7293 9.7293 9.8353 9.8353 10.8524 10.8524 11.8146 11.8146 11.9783 11.9783 12.0295 12.0295 12.1792 12.1792 12.3965 12.3965 12.5072 12.5072 12.7989 12.7989 12.9331 12.9331 13.6649 13.6649 13.7281 13.7281 14.1549 14.1549 14.2080 14.2080 14.2253 14.2253 14.3349 14.3349 14.4221 14.4221 20.7261 20.7261 k = 0.5000-0.0000 0.6124 ( 4540 PWs) bands (ev): -64.4958 -64.4958 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5482 -0.5482 -0.5431 -0.5431 0.2626 0.2626 0.3089 0.3089 0.3196 0.3196 7.9511 7.9511 9.7502 9.7502 9.8151 9.8151 10.8495 10.8495 11.8153 11.8153 11.9804 11.9804 12.0265 12.0265 12.1788 12.1788 12.3966 12.3966 12.5067 12.5067 12.7995 12.7995 12.9332 12.9332 13.6651 13.6651 13.7279 13.7279 14.1581 14.1581 14.2141 14.2141 14.2176 14.2176 14.3309 14.3309 14.4212 14.4212 20.7680 20.7680 k = 0.5000-0.0000 0.6124 ( 4540 PWs) bands (ev): -64.4958 -64.4958 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5482 -0.5482 -0.5431 -0.5431 0.2626 0.2626 0.3089 0.3089 0.3196 0.3196 7.9511 7.9511 9.7502 9.7502 9.8151 9.8151 10.8495 10.8495 11.8153 11.8153 11.9804 11.9804 12.0265 12.0265 12.1788 12.1788 12.3966 12.3966 12.5067 12.5067 12.7995 12.7995 12.9332 12.9332 13.6651 13.6651 13.7279 13.7279 14.1581 14.1581 14.2141 14.2141 14.2176 14.2176 14.3309 14.3309 14.4212 14.4212 20.7680 20.7680 k = 0.5000 0.0078 0.6013 ( 4540 PWs) bands (ev): -64.4958 -64.4958 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5482 -0.5482 -0.5431 -0.5431 0.2627 0.2627 0.3088 0.3088 0.3197 0.3197 7.9486 7.9486 9.7487 9.7487 9.8143 9.8143 10.8541 10.8541 11.8128 11.8128 11.9807 11.9807 12.0267 12.0267 12.1794 12.1794 12.3974 12.3974 12.5077 12.5077 12.7982 12.7982 12.9326 12.9326 13.6652 13.6652 13.7281 13.7281 14.1561 14.1561 14.2042 14.2042 14.2281 14.2281 14.3386 14.3386 14.4233 14.4233 20.7455 20.7455 k = 0.5000 0.0156 0.5903 ( 4550 PWs) bands (ev): -64.4968 -64.4968 -34.2614 -34.2614 -33.0564 -33.0564 -33.0562 -33.0562 -0.5482 -0.5482 -0.5431 -0.5431 0.2627 0.2627 0.3087 0.3087 0.3197 0.3197 7.9407 7.9407 9.7405 9.7405 9.8154 9.8154 10.8672 10.8672 11.8050 11.8050 11.9812 11.9812 12.0268 12.0268 12.1801 12.1801 12.3996 12.3996 12.5106 12.5106 12.7941 12.7941 12.9307 12.9307 13.6654 13.6654 13.7285 13.7285 14.1480 14.1480 14.1896 14.1896 14.2411 14.2411 14.3558 14.3558 14.4267 14.4267 20.6867 20.6867 k = 0.5000 0.0234 0.5793 ( 4550 PWs) bands (ev): -64.4968 -64.4968 -34.2614 -34.2614 -33.0564 -33.0564 -33.0562 -33.0562 -0.5482 -0.5482 -0.5431 -0.5431 0.2628 0.2628 0.3085 0.3085 0.3198 0.3198 7.9283 7.9283 9.7203 9.7203 9.8252 9.8252 10.8885 10.8885 11.7931 11.7931 11.9823 11.9823 12.0274 12.0274 12.1835 12.1835 12.4033 12.4033 12.5155 12.5155 12.7873 12.7873 12.9280 12.9280 13.6659 13.6659 13.7293 13.7293 14.1409 14.1409 14.1787 14.1787 14.2564 14.2564 14.3853 14.3853 14.4404 14.4404 20.6073 20.6073 k = 0.5000 0.0312 0.5682 ( 4548 PWs) bands (ev): -64.4966 -64.4966 -34.2614 -34.2614 -33.0564 -33.0564 -33.0562 -33.0562 -0.5482 -0.5482 -0.5431 -0.5431 0.2629 0.2629 0.3083 0.3083 0.3200 0.3200 7.9115 7.9115 9.6880 9.6880 9.8447 9.8447 10.9161 10.9161 11.7779 11.7779 11.9834 11.9834 12.0280 12.0280 12.1874 12.1874 12.4080 12.4080 12.5223 12.5223 12.7778 12.7778 12.9245 12.9245 13.6670 13.6670 13.7305 13.7305 14.1343 14.1343 14.1705 14.1705 14.2740 14.2740 14.4192 14.4192 14.4628 14.4628 20.5177 20.5177 k = 0.5000 0.0390 0.5572 ( 4552 PWs) bands (ev): -64.4971 -64.4971 -34.2614 -34.2614 -33.0564 -33.0564 -33.0562 -33.0562 -0.5482 -0.5482 -0.5430 -0.5430 0.2630 0.2630 0.3079 0.3079 0.3201 0.3201 7.8905 7.8905 9.6463 9.6463 9.8720 9.8720 10.9484 10.9484 11.7596 11.7596 11.9841 11.9841 12.0281 12.0281 12.1921 12.1921 12.4132 12.4132 12.5306 12.5306 12.7657 12.7657 12.9208 12.9208 13.6682 13.6682 13.7319 13.7319 14.1260 14.1260 14.1626 14.1626 14.2895 14.2895 14.4520 14.4520 14.4980 14.4980 20.4232 20.4232 k = 0.5000 0.0468 0.5462 ( 4546 PWs) bands (ev): -64.4964 -64.4964 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5483 -0.5483 -0.5430 -0.5430 0.2632 0.2632 0.3075 0.3075 0.3203 0.3203 7.8661 7.8661 9.5979 9.5979 9.9057 9.9057 10.9843 10.9843 11.7398 11.7398 11.9848 11.9848 12.0281 12.0281 12.1993 12.1993 12.4188 12.4188 12.5403 12.5403 12.7514 12.7514 12.9170 12.9170 13.6703 13.6703 13.7339 13.7339 14.1207 14.1207 14.1592 14.1592 14.3030 14.3030 14.4926 14.4926 14.5474 14.5474 20.3269 20.3269 k = 0.5000 0.0546 0.5351 ( 4548 PWs) bands (ev): -64.4966 -64.4966 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5483 -0.5483 -0.5429 -0.5429 0.2634 0.2634 0.3071 0.3071 0.3206 0.3206 7.8385 7.8385 9.5445 9.5445 9.9442 9.9442 11.0221 11.0221 11.7187 11.7187 11.9849 11.9849 12.0272 12.0272 12.2062 12.2062 12.4244 12.4244 12.5507 12.5507 12.7353 12.7353 12.9132 12.9132 13.6724 13.6724 13.7358 13.7358 14.1145 14.1145 14.1560 14.1560 14.3147 14.3147 14.5377 14.5377 14.6000 14.6000 20.2295 20.2295 k = 0.5000 0.0624 0.5241 ( 4546 PWs) bands (ev): -64.4964 -64.4964 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5484 -0.5484 -0.5429 -0.5429 0.2636 0.2636 0.3066 0.3066 0.3209 0.3209 7.8086 7.8086 9.4878 9.4878 9.9874 9.9874 11.0607 11.0607 11.6962 11.6962 11.9847 11.9847 12.0260 12.0260 12.2132 12.2132 12.4300 12.4300 12.5614 12.5614 12.7181 12.7181 12.9095 12.9095 13.6751 13.6751 13.7378 13.7378 14.1139 14.1139 14.1561 14.1561 14.3229 14.3229 14.5873 14.5873 14.6637 14.6637 20.1330 20.1330 k = 0.5000 0.0702 0.5131 ( 4544 PWs) bands (ev): -64.4962 -64.4962 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5484 -0.5484 -0.5428 -0.5428 0.2638 0.2638 0.3060 0.3060 0.3212 0.3212 7.7765 7.7765 9.4286 9.4286 10.0342 10.0342 11.0995 11.0995 11.6738 11.6738 11.9840 11.9840 12.0241 12.0241 12.2221 12.2221 12.4353 12.4353 12.5713 12.5713 12.7007 12.7007 12.9060 12.9060 13.6787 13.6787 13.7404 13.7404 14.1102 14.1102 14.1557 14.1557 14.3301 14.3301 14.6501 14.6501 14.7312 14.7312 20.0374 20.0374 k = 0.5000 0.0780 0.5020 ( 4548 PWs) bands (ev): -64.4967 -64.4967 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5485 -0.5485 -0.5428 -0.5428 0.2640 0.2640 0.3054 0.3054 0.3216 0.3216 7.7429 7.7429 9.3677 9.3677 10.0837 10.0837 11.1375 11.1375 11.6511 11.6511 11.9827 11.9827 12.0216 12.0216 12.2307 12.2307 12.4402 12.4402 12.5793 12.5793 12.6842 12.6842 12.9025 12.9025 13.6822 13.6822 13.7426 13.7426 14.1060 14.1060 14.1558 14.1558 14.3342 14.3342 14.7193 14.7193 14.8028 14.8028 19.9428 19.9428 k = 0.5000 0.0858 0.4910 ( 4546 PWs) bands (ev): -64.4965 -64.4965 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5486 -0.5486 -0.5427 -0.5427 0.2642 0.2642 0.3048 0.3048 0.3220 0.3220 7.7083 7.7083 9.3060 9.3060 10.1361 10.1361 11.1741 11.1741 11.6290 11.6290 11.9812 11.9812 12.0189 12.0189 12.2399 12.2399 12.4446 12.4446 12.5838 12.5838 12.6708 12.6708 12.8990 12.8990 13.6870 13.6870 13.7458 13.7458 14.1048 14.1048 14.1563 14.1563 14.3375 14.3375 14.7974 14.7974 14.8834 14.8834 19.8503 19.8503 k = 0.5000 0.0936 0.4800 ( 4544 PWs) bands (ev): -64.4963 -64.4963 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5486 -0.5486 -0.5426 -0.5426 0.2644 0.2644 0.3041 0.3041 0.3224 0.3224 7.6731 7.6731 9.2440 9.2440 10.1904 10.1904 11.2088 11.2088 11.6079 11.6079 11.9795 11.9795 12.0160 12.0160 12.2490 12.2490 12.4484 12.4484 12.5829 12.5829 12.6624 12.6624 12.8954 12.8954 13.6921 13.6921 13.7492 13.7492 14.1036 14.1036 14.1580 14.1580 14.3410 14.3410 14.8824 14.8824 14.9693 14.9693 19.7596 19.7596 k = 0.5000 0.1014 0.4689 ( 4536 PWs) bands (ev): -64.4955 -64.4955 -34.2613 -34.2613 -33.0564 -33.0564 -33.0561 -33.0561 -0.5487 -0.5487 -0.5425 -0.5425 0.2646 0.2646 0.3034 0.3034 0.3229 0.3229 7.6375 7.6375 9.1825 9.1825 10.2459 10.2459 11.2405 11.2405 11.5891 11.5891 11.9776 11.9776 12.0133 12.0133 12.2583 12.2583 12.4510 12.4510 12.5768 12.5768 12.6598 12.6598 12.8918 12.8918 13.6977 13.6977 13.7529 13.7529 14.1070 14.1070 14.1623 14.1623 14.3475 14.3475 14.9748 14.9748 15.0586 15.0586 19.6708 19.6708 k = 0.5000 0.1092 0.4579 ( 4542 PWs) bands (ev): -64.4961 -64.4961 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5488 -0.5488 -0.5424 -0.5424 0.2648 0.2648 0.3028 0.3028 0.3234 0.3234 7.6017 7.6017 9.1213 9.1213 10.3020 10.3020 11.2683 11.2683 11.5725 11.5725 11.9747 11.9747 12.0098 12.0098 12.2665 12.2665 12.4521 12.4521 12.5671 12.5671 12.6611 12.6611 12.8879 12.8879 13.7026 13.7026 13.7562 13.7562 14.1040 14.1040 14.1635 14.1635 14.3492 14.3492 15.0737 15.0737 15.1510 15.1510 19.5837 19.5837 k = 0.5000 0.1170 0.4469 ( 4544 PWs) bands (ev): -64.4963 -64.4963 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5489 -0.5489 -0.5424 -0.5424 0.2650 0.2650 0.3021 0.3021 0.3240 0.3240 7.5663 7.5663 9.0611 9.0611 10.3588 10.3588 11.2912 11.2912 11.5600 11.5600 11.9716 11.9716 12.0062 12.0062 12.2740 12.2740 12.4512 12.4512 12.5573 12.5573 12.6643 12.6643 12.8838 12.8838 13.7078 13.7078 13.7596 13.7596 14.1049 14.1049 14.1661 14.1661 14.3520 14.3520 15.1785 15.1785 15.2496 15.2496 19.4991 19.4991 k = 0.5000 0.1248 0.4358 ( 4544 PWs) bands (ev): -64.4963 -64.4963 -34.2613 -34.2613 -33.0564 -33.0564 -33.0560 -33.0560 -0.5491 -0.5491 -0.5423 -0.5423 0.2651 0.2651 0.3014 0.3014 0.3246 0.3246 7.5314 7.5314 9.0022 9.0022 10.4160 10.4160 11.3078 11.3078 11.5523 11.5523 11.9682 11.9682 12.0028 12.0028 12.2807 12.2807 12.4476 12.4476 12.5495 12.5495 12.6681 12.6681 12.8795 12.8795 13.7134 13.7134 13.7632 13.7632 14.1086 14.1086 14.1682 14.1682 14.3549 14.3549 15.2899 15.2899 15.3546 15.3546 19.4170 19.4170 k = 0.5000 0.1326 0.4248 ( 4546 PWs) bands (ev): -64.4965 -64.4965 -34.2613 -34.2613 -33.0564 -33.0564 -33.0560 -33.0560 -0.5492 -0.5492 -0.5422 -0.5422 0.2652 0.2652 0.3007 0.3007 0.3252 0.3252 7.4972 7.4972 8.9448 8.9448 10.4724 10.4724 11.3171 11.3171 11.5518 11.5518 11.9646 11.9646 11.9990 11.9990 12.2862 12.2862 12.4415 12.4415 12.5444 12.5444 12.6719 12.6719 12.8749 12.8749 13.7186 13.7186 13.7671 13.7671 14.1106 14.1106 14.1702 14.1702 14.3580 14.3580 15.4084 15.4084 15.4621 15.4621 19.3371 19.3371 k = 0.5000 0.1404 0.4138 ( 4546 PWs) bands (ev): -64.4965 -64.4965 -34.2613 -34.2613 -33.0564 -33.0564 -33.0560 -33.0560 -0.5493 -0.5493 -0.5421 -0.5421 0.2653 0.2653 0.3001 0.3001 0.3258 0.3258 7.4639 7.4639 8.8891 8.8891 10.5288 10.5288 11.3187 11.3187 11.5584 11.5584 11.9605 11.9605 11.9950 11.9950 12.2898 12.2898 12.4335 12.4335 12.5422 12.5422 12.6754 12.6754 12.8702 12.8702 13.7238 13.7238 13.7702 13.7702 14.1150 14.1150 14.1752 14.1752 14.3609 14.3609 15.5307 15.5307 15.5767 15.5767 19.2599 19.2599 k = 0.5000 0.1482 0.4027 ( 4546 PWs) bands (ev): -64.4966 -64.4966 -34.2613 -34.2613 -33.0564 -33.0564 -33.0560 -33.0560 -0.5495 -0.5495 -0.5420 -0.5420 0.2654 0.2654 0.2994 0.2994 0.3264 0.3264 7.4316 7.4316 8.8354 8.8354 10.5836 10.5836 11.3141 11.3141 11.5708 11.5708 11.9566 11.9566 11.9913 11.9913 12.2917 12.2917 12.4247 12.4247 12.5423 12.5423 12.6787 12.6787 12.8652 12.8652 13.7290 13.7290 13.7741 13.7741 14.1190 14.1190 14.1787 14.1787 14.3649 14.3649 15.6584 15.6584 15.6957 15.6957 19.1854 19.1854 k = 0.5000 0.1560 0.3917 ( 4544 PWs) bands (ev): -64.4964 -64.4964 -34.2613 -34.2613 -33.0564 -33.0564 -33.0560 -33.0560 -0.5496 -0.5496 -0.5419 -0.5419 0.2654 0.2654 0.2988 0.2988 0.3271 0.3271 7.4005 7.4005 8.7839 8.7839 10.6374 10.6374 11.3052 11.3052 11.5874 11.5874 11.9527 11.9527 11.9874 11.9874 12.2915 12.2915 12.4159 12.4159 12.5441 12.5441 12.6817 12.6817 12.8600 12.8600 13.7342 13.7342 13.7782 13.7782 14.1249 14.1249 14.1822 14.1822 14.3692 14.3692 15.7889 15.7889 15.8226 15.8226 19.1137 19.1137 k = 0.5000 0.1638 0.3807 ( 4540 PWs) bands (ev): -64.4960 -64.4960 -34.2613 -34.2613 -33.0564 -33.0564 -33.0560 -33.0560 -0.5497 -0.5497 -0.5418 -0.5418 0.2654 0.2654 0.2983 0.2983 0.3278 0.3278 7.3707 7.3707 8.7347 8.7347 10.6896 10.6896 11.2930 11.2930 11.6068 11.6068 11.9488 11.9488 11.9837 11.9837 12.2891 12.2891 12.4077 12.4077 12.5469 12.5469 12.6846 12.6846 12.8547 12.8547 13.7389 13.7389 13.7813 13.7813 14.1339 14.1339 14.1871 14.1871 14.3748 14.3748 15.9197 15.9197 15.9576 15.9576 19.0450 19.0450 k = 0.5000 0.1716 0.3696 ( 4546 PWs) bands (ev): -64.4966 -64.4966 -34.2613 -34.2613 -33.0564 -33.0564 -33.0560 -33.0560 -0.5499 -0.5499 -0.5417 -0.5417 0.2653 0.2653 0.2977 0.2977 0.3284 0.3284 7.3422 7.3422 8.6878 8.6878 10.7396 10.7396 11.2790 11.2790 11.6275 11.6275 11.9446 11.9446 11.9791 11.9791 12.2845 12.2845 12.4003 12.4003 12.5501 12.5501 12.6874 12.6874 12.8492 12.8492 13.7429 13.7429 13.7837 13.7837 14.1344 14.1344 14.1897 14.1897 14.3794 14.3794 16.0516 16.0516 16.1000 16.1000 18.9793 18.9793 k = 0.5000 0.1794 0.3586 ( 4536 PWs) bands (ev): -64.4956 -64.4956 -34.2613 -34.2613 -33.0564 -33.0564 -33.0559 -33.0559 -0.5501 -0.5501 -0.5417 -0.5417 0.2652 0.2652 0.2972 0.2972 0.3291 0.3291 7.3153 7.3153 8.6436 8.6436 10.7883 10.7883 11.2651 11.2651 11.6493 11.6493 11.9416 11.9416 11.9758 11.9758 12.2784 12.2784 12.3938 12.3938 12.5540 12.5540 12.6905 12.6905 12.8438 12.8438 13.7488 13.7488 13.7883 13.7883 14.1423 14.1423 14.1935 14.1935 14.3883 14.3883 16.1884 16.1884 16.2500 16.2500 18.9172 18.9172 k = 0.5000 0.1872 0.3476 ( 4540 PWs) bands (ev): -64.4960 -64.4960 -34.2613 -34.2613 -33.0564 -33.0564 -33.0559 -33.0559 -0.5502 -0.5502 -0.5416 -0.5416 0.2651 0.2651 0.2968 0.2968 0.3298 0.3298 7.2900 7.2900 8.6019 8.6019 10.8334 10.8334 11.2504 11.2504 11.6705 11.6705 11.9383 11.9383 11.9718 11.9718 12.2707 12.2707 12.3876 12.3876 12.5579 12.5579 12.6936 12.6936 12.8384 12.8384 13.7515 13.7515 13.7904 13.7904 14.1477 14.1477 14.1962 14.1962 14.3926 14.3926 16.3250 16.3250 16.4034 16.4034 18.8582 18.8582 k = 0.5000 0.1951 0.3365 ( 4542 PWs) bands (ev): -64.4962 -64.4962 -34.2613 -34.2613 -33.0564 -33.0564 -33.0559 -33.0559 -0.5504 -0.5504 -0.5415 -0.5415 0.2650 0.2650 0.2964 0.2964 0.3304 0.3304 7.2663 7.2663 8.5629 8.5629 10.8765 10.8765 11.2357 11.2357 11.6916 11.6916 11.9351 11.9351 11.9678 11.9678 12.2622 12.2622 12.3814 12.3814 12.5618 12.5618 12.6968 12.6968 12.8331 12.8331 13.7546 13.7546 13.7920 13.7920 14.1542 14.1542 14.1993 14.1993 14.3971 14.3971 16.4670 16.4670 16.5606 16.5606 18.8028 18.8028 k = 0.5000 0.2029 0.3255 ( 4536 PWs) bands (ev): -64.4956 -64.4956 -34.2613 -34.2613 -33.0564 -33.0564 -33.0559 -33.0559 -0.5505 -0.5505 -0.5414 -0.5414 0.2649 0.2649 0.2960 0.2960 0.3311 0.3311 7.2443 7.2443 8.5268 8.5268 10.9171 10.9171 11.2221 11.2221 11.7120 11.7120 11.9333 11.9333 11.9650 11.9650 12.2533 12.2533 12.3752 12.3752 12.5657 12.5657 12.7003 12.7003 12.8281 12.8281 13.7584 13.7584 13.7948 13.7948 14.1644 14.1644 14.2033 14.2033 14.4025 14.4025 16.6138 16.6138 16.7223 16.7223 18.7512 18.7512 k = 0.5000 0.2107 0.3145 ( 4534 PWs) bands (ev): -64.4954 -64.4954 -34.2613 -34.2613 -33.0564 -33.0564 -33.0559 -33.0559 -0.5507 -0.5507 -0.5413 -0.5413 0.2648 0.2648 0.2956 0.2956 0.3317 0.3317 7.2241 7.2241 8.4937 8.4937 10.9546 10.9546 11.2091 11.2091 11.7316 11.7316 11.9316 11.9316 11.9615 11.9615 12.2442 12.2442 12.3689 12.3689 12.5694 12.5694 12.7038 12.7038 12.8233 12.8233 13.7610 13.7610 13.7964 13.7964 14.1718 14.1718 14.2061 14.2061 14.4095 14.4095 16.7641 16.7641 16.8864 16.8864 18.7034 18.7034 k = 0.5000 0.2185 0.3034 ( 4538 PWs) bands (ev): -64.4959 -64.4959 -34.2613 -34.2613 -33.0564 -33.0564 -33.0559 -33.0559 -0.5508 -0.5508 -0.5413 -0.5413 0.2646 0.2646 0.2953 0.2953 0.3322 0.3322 7.2057 7.2057 8.4634 8.4634 10.9886 10.9886 11.1966 11.1966 11.7496 11.7496 11.9303 11.9303 11.9581 11.9581 12.2349 12.2349 12.3622 12.3622 12.5728 12.5728 12.7073 12.7073 12.8188 12.8188 13.7624 13.7624 13.7968 13.7968 14.1775 14.1775 14.2080 14.2080 14.4136 14.4136 16.9178 16.9178 17.0525 17.0525 18.6595 18.6595 k = 0.5000 0.2263 0.2924 ( 4540 PWs) bands (ev): -64.4961 -64.4961 -34.2613 -34.2613 -33.0564 -33.0564 -33.0559 -33.0559 -0.5509 -0.5509 -0.5412 -0.5412 0.2644 0.2644 0.2951 0.2951 0.3327 0.3327 7.1891 7.1891 8.4362 8.4362 11.0196 11.0196 11.1855 11.1855 11.7660 11.7660 11.9300 11.9300 11.9548 11.9548 12.2259 12.2259 12.3554 12.3554 12.5759 12.5759 12.7108 12.7108 12.8148 12.8148 13.7638 13.7638 13.7974 13.7974 14.1835 14.1835 14.2105 14.2105 14.4174 14.4174 17.0759 17.0759 17.2211 17.2211 18.6198 18.6198 k = 0.5000 0.2341 0.2814 ( 4538 PWs) bands (ev): -64.4959 -64.4959 -34.2613 -34.2613 -33.0564 -33.0564 -33.0559 -33.0559 -0.5511 -0.5511 -0.5412 -0.5412 0.2643 0.2643 0.2949 0.2949 0.3332 0.3332 7.1745 7.1745 8.4120 8.4120 11.0476 11.0476 11.1757 11.1757 11.7809 11.7809 11.9308 11.9308 11.9525 11.9525 12.2172 12.2172 12.3488 12.3488 12.5787 12.5787 12.7141 12.7141 12.8112 12.8112 13.7660 13.7660 13.7986 13.7986 14.1898 14.1898 14.2124 14.2124 14.4224 14.4224 17.2391 17.2391 17.3913 17.3913 18.5845 18.5845 k = 0.5000 0.2419 0.2703 ( 4542 PWs) bands (ev): -64.4963 -64.4963 -34.2613 -34.2613 -33.0564 -33.0564 -33.0559 -33.0559 -0.5512 -0.5512 -0.5411 -0.5411 0.2641 0.2641 0.2947 0.2947 0.3336 0.3336 7.1617 7.1617 8.3910 8.3910 11.0717 11.0717 11.1663 11.1663 11.7935 11.7935 11.9322 11.9322 11.9500 11.9500 12.2089 12.2089 12.3425 12.3425 12.5811 12.5811 12.7172 12.7172 12.8081 12.8081 13.7663 13.7663 13.7981 13.7981 14.1942 14.1942 14.2141 14.2141 14.4258 14.4258 17.4055 17.4055 17.5611 17.5611 18.5536 18.5536 k = 0.5000 0.2497 0.2593 ( 4540 PWs) bands (ev): -64.4961 -64.4961 -34.2613 -34.2613 -33.0564 -33.0564 -33.0559 -33.0559 -0.5513 -0.5513 -0.5411 -0.5411 0.2640 0.2640 0.2945 0.2945 0.3340 0.3340 7.1508 7.1508 8.3731 8.3731 11.0927 11.0927 11.1593 11.1593 11.8041 11.8041 11.9350 11.9350 11.9482 11.9482 12.2013 12.2013 12.3366 12.3366 12.5831 12.5831 12.7200 12.7200 12.8055 12.8055 13.7683 13.7683 13.7996 13.7996 14.1969 14.1969 14.2166 14.2166 14.4298 14.4298 17.5766 17.5766 17.7324 17.7324 18.5272 18.5272 k = 0.5000 0.2575 0.2483 ( 4538 PWs) bands (ev): -64.4959 -64.4959 -34.2613 -34.2613 -33.0564 -33.0564 -33.0558 -33.0558 -0.5513 -0.5513 -0.5411 -0.5411 0.2639 0.2639 0.2944 0.2944 0.3343 0.3343 7.1419 7.1419 8.3585 8.3585 11.1099 11.1099 11.1533 11.1533 11.8124 11.8124 11.9380 11.9380 11.9474 11.9474 12.1945 12.1945 12.3314 12.3314 12.5847 12.5847 12.7224 12.7224 12.8034 12.8034 13.7698 13.7698 13.8006 13.8006 14.2005 14.2005 14.2187 14.2187 14.4333 14.4333 17.7510 17.7510 17.9026 17.9026 18.5056 18.5056 k = 0.5000 0.2653 0.2372 ( 4542 PWs) bands (ev): -64.4963 -64.4963 -34.2613 -34.2613 -33.0564 -33.0564 -33.0558 -33.0558 -0.5514 -0.5514 -0.5410 -0.5410 0.2638 0.2638 0.2943 0.2943 0.3346 0.3346 7.1350 7.1350 8.3470 8.3470 11.1231 11.1231 11.1487 11.1487 11.8183 11.8183 11.9395 11.9395 11.9465 11.9465 12.1887 12.1887 12.3272 12.3272 12.5859 12.5859 12.7243 12.7243 12.8017 12.8017 13.7704 13.7704 13.8006 13.8006 14.2001 14.2001 14.2182 14.2182 14.4359 14.4359 17.9277 17.9277 18.0709 18.0709 18.4889 18.4889 k = 0.5000 0.2731 0.2262 ( 4542 PWs) bands (ev): -64.4963 -64.4963 -34.2613 -34.2613 -33.0564 -33.0564 -33.0558 -33.0558 -0.5514 -0.5514 -0.5410 -0.5410 0.2638 0.2638 0.2942 0.2942 0.3347 0.3347 7.1300 7.1300 8.3389 8.3389 11.1323 11.1323 11.1457 11.1457 11.8224 11.8224 11.9404 11.9404 11.9478 11.9478 12.1843 12.1843 12.3241 12.3241 12.5867 12.5867 12.7257 12.7257 12.8006 12.8006 13.7708 13.7708 13.8009 13.8009 14.2021 14.2021 14.2194 14.2194 14.4376 14.4376 18.1056 18.1056 18.2357 18.2357 18.4778 18.4778 k = 0.5000 0.2809 0.2152 ( 4532 PWs) bands (ev): -64.4952 -64.4952 -34.2613 -34.2613 -33.0564 -33.0564 -33.0558 -33.0558 -0.5515 -0.5515 -0.5410 -0.5410 0.2637 0.2637 0.2942 0.2942 0.3349 0.3349 7.1271 7.1271 8.3341 8.3341 11.1375 11.1375 11.1452 11.1452 11.8255 11.8255 11.9414 11.9414 11.9503 11.9503 12.1815 12.1815 12.3221 12.3221 12.5872 12.5872 12.7266 12.7266 12.7999 12.7999 13.7726 13.7726 13.8027 13.8027 14.2060 14.2060 14.2230 14.2230 14.4412 14.4412 18.2802 18.2802 18.3891 18.3891 18.4791 18.4791 k = 0.5000 0.2887 0.2041 ( 4512 PWs) bands (ev): -64.4930 -64.4930 -34.2612 -34.2612 -33.0563 -33.0563 -33.0557 -33.0557 -0.5515 -0.5515 -0.5410 -0.5410 0.2637 0.2637 0.2942 0.2942 0.3349 0.3349 7.1261 7.1261 8.3325 8.3325 11.1403 11.1403 11.1471 11.1471 11.8276 11.8276 11.9431 11.9431 11.9525 11.9525 12.1806 12.1806 12.3215 12.3215 12.5874 12.5874 12.7269 12.7269 12.7996 12.7996 13.7774 13.7774 13.8073 13.8073 14.2099 14.2099 14.2265 14.2265 14.4458 14.4458 18.4022 18.4022 18.4372 18.4372 18.5562 18.5562 k = 0.5000 0.2887 0.2041 ( 4512 PWs) bands (ev): -64.4930 -64.4930 -34.2612 -34.2612 -33.0563 -33.0563 -33.0557 -33.0557 -0.5515 -0.5515 -0.5410 -0.5410 0.2637 0.2637 0.2942 0.2942 0.3349 0.3349 7.1261 7.1261 8.3325 8.3325 11.1403 11.1403 11.1471 11.1471 11.8276 11.8276 11.9431 11.9431 11.9525 11.9525 12.1806 12.1806 12.3215 12.3215 12.5874 12.5874 12.7269 12.7269 12.7996 12.7996 13.7774 13.7774 13.8073 13.8073 14.2099 14.2099 14.2265 14.2265 14.4458 14.4458 18.4022 18.4022 18.4372 18.4372 18.5562 18.5562 k = 0.4961 0.2864 0.2169 ( 4534 PWs) bands (ev): -64.4954 -64.4954 -34.2613 -34.2613 -33.0564 -33.0564 -33.0558 -33.0558 -0.5515 -0.5515 -0.5410 -0.5410 0.2637 0.2637 0.2942 0.2942 0.3348 0.3348 7.1271 7.1271 8.3340 8.3340 11.1376 11.1376 11.1450 11.1450 11.8253 11.8253 11.9412 11.9412 11.9501 11.9501 12.1815 12.1815 12.3221 12.3221 12.5872 12.5872 12.7266 12.7266 12.7999 12.7999 13.7723 13.7723 13.8024 13.8024 14.2054 14.2054 14.2228 14.2228 14.4405 14.4405 18.2796 18.2796 18.3911 18.3911 18.4759 18.4759 k = 0.4922 0.2842 0.2296 ( 4540 PWs) bands (ev): -64.4960 -64.4960 -34.2613 -34.2613 -33.0564 -33.0564 -33.0558 -33.0558 -0.5514 -0.5514 -0.5410 -0.5410 0.2638 0.2638 0.2942 0.2942 0.3347 0.3347 7.1300 7.1300 8.3388 8.3388 11.1329 11.1329 11.1453 11.1453 11.8225 11.8225 11.9407 11.9407 11.9481 11.9481 12.1843 12.1843 12.3241 12.3241 12.5867 12.5867 12.7257 12.7257 12.8006 12.8006 13.7714 13.7714 13.8016 13.8016 14.2024 14.2024 14.2198 14.2198 14.4376 14.4376 18.1009 18.1009 18.2485 18.2485 18.4634 18.4634 k = 0.4883 0.2819 0.2424 ( 4542 PWs) bands (ev): -64.4963 -64.4963 -34.2613 -34.2613 -33.0564 -33.0564 -33.0558 -33.0558 -0.5514 -0.5514 -0.5410 -0.5410 0.2638 0.2638 0.2943 0.2943 0.3346 0.3346 7.1350 7.1350 8.3470 8.3470 11.1238 11.1238 11.1482 11.1482 11.8183 11.8183 11.9394 11.9394 11.9469 11.9469 12.1887 12.1887 12.3272 12.3272 12.5859 12.5859 12.7243 12.7243 12.8017 12.8017 13.7710 13.7710 13.8012 13.8012 14.1997 14.1997 14.2174 14.2174 14.4353 14.4353 17.9135 17.9135 18.1009 18.1009 18.4567 18.4567 k = 0.4844 0.2797 0.2552 ( 4545 PWs) bands (ev): -64.4966 -64.4966 -34.2613 -34.2613 -33.0564 -33.0564 -33.0559 -33.0559 -0.5513 -0.5513 -0.5411 -0.5411 0.2639 0.2639 0.2944 0.2944 0.3343 0.3343 7.1420 7.1420 8.3585 8.3585 11.1096 11.1096 11.1528 11.1528 11.8119 11.8119 11.9360 11.9360 11.9479 11.9479 12.1944 12.1944 12.3315 12.3315 12.5847 12.5847 12.7224 12.7224 12.8034 12.8034 13.7689 13.7689 13.7996 13.7996 14.1986 14.1986 14.2163 14.2163 14.4314 14.4314 17.7220 17.7220 17.9554 17.9554 18.4491 18.4491 k = 0.4805 0.2774 0.2679 ( 4541 PWs) bands (ev): -64.4962 -64.4962 -34.2613 -34.2613 -33.0564 -33.0564 -33.0559 -33.0559 -0.5513 -0.5513 -0.5411 -0.5411 0.2640 0.2640 0.2945 0.2945 0.3340 0.3340 7.1509 7.1509 8.3732 8.3732 11.0928 11.0928 11.1590 11.1590 11.8040 11.8040 11.9321 11.9321 11.9507 11.9507 12.2013 12.2013 12.3366 12.3366 12.5831 12.5831 12.7200 12.7200 12.8055 12.8055 13.7684 13.7684 13.7994 13.7994 14.1975 14.1975 14.2158 14.2158 14.4290 14.4290 17.5320 17.5320 17.8126 17.8126 18.4401 18.4401 k = 0.4766 0.2751 0.2807 ( 4543 PWs) bands (ev): -64.4964 -64.4964 -34.2613 -34.2613 -33.0564 -33.0564 -33.0559 -33.0559 -0.5512 -0.5512 -0.5411 -0.5411 0.2642 0.2642 0.2947 0.2947 0.3336 0.3336 7.1618 7.1618 8.3911 8.3911 11.0718 11.0718 11.1663 11.1663 11.7936 11.7936 11.9278 11.9278 11.9542 11.9542 12.2088 12.2088 12.3425 12.3425 12.5811 12.5811 12.7172 12.7172 12.8081 12.8081 13.7669 13.7669 13.7984 13.7984 14.1922 14.1922 14.2142 14.2142 14.4249 14.4249 17.3432 17.3432 17.6717 17.6717 18.4298 18.4298 k = 0.4727 0.2729 0.2934 ( 4540 PWs) bands (ev): -64.4961 -64.4961 -34.2613 -34.2613 -33.0564 -33.0564 -33.0559 -33.0559 -0.5511 -0.5511 -0.5412 -0.5412 0.2643 0.2643 0.2949 0.2949 0.3332 0.3332 7.1746 7.1746 8.4122 8.4122 11.0475 11.0475 11.1754 11.1754 11.7813 11.7813 11.9232 11.9232 11.9598 11.9598 12.2169 12.2169 12.3488 12.3488 12.5788 12.5788 12.7141 12.7141 12.8112 12.8112 13.7662 13.7662 13.7983 13.7983 14.1878 14.1878 14.2127 14.2127 14.4215 14.4215 17.1572 17.1572 17.5337 17.5337 18.4187 18.4187 k = 0.4688 0.2706 0.3062 ( 4540 PWs) bands (ev): -64.4961 -64.4961 -34.2613 -34.2613 -33.0564 -33.0564 -33.0559 -33.0559 -0.5509 -0.5509 -0.5412 -0.5412 0.2644 0.2644 0.2951 0.2951 0.3327 0.3327 7.1893 7.1893 8.4364 8.4364 11.0191 11.0191 11.1857 11.1857 11.7668 11.7668 11.9187 11.9187 11.9665 11.9665 12.2252 12.2252 12.3553 12.3553 12.5761 12.5761 12.7108 12.7108 12.8147 12.8147 13.7641 13.7641 13.7970 13.7970 14.1819 14.1819 14.2123 14.2123 14.4166 14.4166 16.9736 16.9736 17.3975 17.3975 18.4069 18.4069 k = 0.4648 0.2684 0.3189 ( 4534 PWs) bands (ev): -64.4954 -64.4954 -34.2613 -34.2613 -33.0564 -33.0564 -33.0559 -33.0559 -0.5508 -0.5508 -0.5413 -0.5413 0.2646 0.2646 0.2953 0.2953 0.3322 0.3322 7.2059 7.2059 8.4638 8.4638 10.9873 10.9873 11.1979 11.1979 11.7509 11.7509 11.9148 11.9148 11.9747 11.9747 12.2339 12.2339 12.3619 12.3619 12.5730 12.5730 12.7075 12.7075 12.8187 12.8187 13.7626 13.7626 13.7969 13.7969 14.1760 14.1760 14.2138 14.2138 14.4135 14.4135 16.7938 16.7938 17.2646 17.2646 18.3947 18.3947 k = 0.4609 0.2661 0.3317 ( 4533 PWs) bands (ev): -64.4953 -64.4953 -34.2613 -34.2613 -33.0564 -33.0564 -33.0559 -33.0559 -0.5507 -0.5507 -0.5413 -0.5413 0.2648 0.2648 0.2956 0.2956 0.3317 0.3317 7.2244 7.2244 8.4941 8.4941 10.9522 10.9522 11.2114 11.2114 11.7331 11.7331 11.9101 11.9101 11.9840 11.9840 12.2424 12.2424 12.3681 12.3681 12.5697 12.5697 12.7041 12.7041 12.8230 12.8230 13.7609 13.7609 13.7966 13.7966 14.1673 14.1673 14.2116 14.2116 14.4090 14.4090 16.6188 16.6188 17.1339 17.1339 18.3822 18.3822 k = 0.4570 0.2639 0.3445 ( 4539 PWs) bands (ev): -64.4959 -64.4959 -34.2613 -34.2613 -33.0564 -33.0564 -33.0559 -33.0559 -0.5505 -0.5505 -0.5414 -0.5414 0.2649 0.2649 0.2959 0.2959 0.3311 0.3311 7.2446 7.2446 8.5273 8.5273 10.9131 10.9131 11.2256 11.2256 11.7135 11.7135 11.9055 11.9055 11.9936 11.9936 12.2507 12.2507 12.3738 12.3738 12.5661 12.5661 12.7009 12.7009 12.8275 12.8275 13.7571 13.7571 13.7947 13.7947 14.1577 14.1577 14.2098 14.2098 14.4007 14.4007 16.4472 16.4472 17.0047 17.0047 18.3694 18.3694 k = 0.4531 0.2616 0.3572 ( 4541 PWs) bands (ev): -64.4961 -64.4961 -34.2613 -34.2613 -33.0564 -33.0564 -33.0559 -33.0559 -0.5504 -0.5504 -0.5415 -0.5415 0.2651 0.2651 0.2963 0.2963 0.3305 0.3305 7.2666 7.2666 8.5635 8.5635 10.8708 10.8708 11.2411 11.2411 11.6931 11.6931 11.9010 11.9010 12.0053 12.0053 12.2588 12.2588 12.3790 12.3790 12.5622 12.5622 12.6980 12.6980 12.8322 12.8322 13.7532 13.7532 13.7926 13.7926 14.1480 14.1480 14.2091 14.2091 14.3954 14.3954 16.2807 16.2807 16.8776 16.8776 18.3570 18.3570 k = 0.4492 0.2594 0.3700 ( 4540 PWs) bands (ev): -64.4960 -64.4960 -34.2613 -34.2613 -33.0564 -33.0564 -33.0559 -33.0559 -0.5502 -0.5502 -0.5416 -0.5416 0.2652 0.2652 0.2967 0.2967 0.3298 0.3298 7.2903 7.2903 8.6025 8.6025 10.8254 10.8254 11.2579 11.2579 11.6718 11.6718 11.8972 11.8972 12.0187 12.0187 12.2665 12.2665 12.3837 12.3837 12.5581 12.5581 12.6956 12.6956 12.8370 12.8370 13.7497 13.7497 13.7915 13.7915 14.1366 14.1366 14.2090 14.2090 14.3910 14.3910 16.1208 16.1208 16.7534 16.7534 18.3449 18.3449 k = 0.4453 0.2571 0.3827 ( 4544 PWs) bands (ev): -64.4964 -64.4964 -34.2613 -34.2613 -33.0564 -33.0564 -33.0560 -33.0560 -0.5501 -0.5501 -0.5416 -0.5416 0.2653 0.2653 0.2971 0.2971 0.3292 0.3292 7.3157 7.3157 8.6443 8.6443 10.7765 10.7765 11.2755 11.2755 11.6494 11.6494 11.8930 11.8930 12.0322 12.0322 12.2734 12.2734 12.3877 12.3877 12.5535 12.5535 12.6937 12.6937 12.8418 12.8418 13.7444 13.7444 13.7882 13.7882 14.1266 14.1266 14.2098 14.2098 14.3849 14.3849 15.9650 15.9650 16.6304 16.6304 18.3330 18.3330 k = 0.4414 0.2548 0.3955 ( 4544 PWs) bands (ev): -64.4964 -64.4964 -34.2613 -34.2613 -33.0564 -33.0564 -33.0560 -33.0560 -0.5500 -0.5500 -0.5417 -0.5417 0.2654 0.2654 0.2975 0.2975 0.3286 0.3286 7.3426 7.3426 8.6887 8.6887 10.7250 10.7250 11.2946 11.2946 11.6265 11.6265 11.8893 11.8893 12.0468 12.0468 12.2796 12.2796 12.3915 12.3915 12.5486 12.5486 12.6926 12.6926 12.8465 12.8465 13.7396 13.7396 13.7855 13.7855 14.1158 14.1158 14.2115 14.2115 14.3802 14.3802 15.8167 15.8167 16.5103 16.5103 18.3217 18.3217 k = 0.4375 0.2526 0.4082 ( 4550 PWs) bands (ev): -64.4970 -64.4970 -34.2613 -34.2613 -33.0564 -33.0564 -33.0560 -33.0560 -0.5499 -0.5499 -0.5418 -0.5418 0.2655 0.2655 0.2979 0.2979 0.3280 0.3280 7.3710 7.3710 8.7354 8.7354 10.6700 10.6700 11.3146 11.3146 11.6027 11.6027 11.8852 11.8852 12.0626 12.0626 12.2845 12.2845 12.3952 12.3952 12.5431 12.5431 12.6921 12.6921 12.8509 12.8509 13.7341 13.7341 13.7820 13.7820 14.1033 14.1033 14.2113 14.2113 14.3738 14.3738 15.6738 15.6738 16.3923 16.3923 18.3104 18.3104 k = 0.4336 0.2503 0.4210 ( 4547 PWs) bands (ev): -64.4967 -64.4967 -34.2613 -34.2613 -33.0564 -33.0564 -33.0560 -33.0560 -0.5498 -0.5498 -0.5418 -0.5418 0.2656 0.2656 0.2983 0.2983 0.3274 0.3274 7.4008 7.4008 8.7847 8.7847 10.6128 10.6128 11.3359 11.3359 11.5789 11.5789 11.8819 11.8819 12.0790 12.0790 12.2883 12.2883 12.3992 12.3992 12.5371 12.5371 12.6924 12.6924 12.8551 12.8551 13.7290 13.7290 13.7787 13.7787 14.0947 14.0947 14.2146 14.2146 14.3704 14.3704 15.5391 15.5391 16.2769 16.2769 18.3003 18.3003 k = 0.4297 0.2481 0.4338 ( 4549 PWs) bands (ev): -64.4969 -64.4969 -34.2613 -34.2613 -33.0564 -33.0564 -33.0560 -33.0560 -0.5497 -0.5497 -0.5419 -0.5419 0.2656 0.2656 0.2987 0.2987 0.3269 0.3269 7.4318 7.4318 8.8360 8.8360 10.5528 10.5528 11.3582 11.3582 11.5549 11.5549 11.8789 11.8789 12.0951 12.0951 12.2908 12.2908 12.4037 12.4037 12.5305 12.5305 12.6933 12.6933 12.8589 12.8589 13.7237 13.7237 13.7754 13.7754 14.0792 14.0792 14.2183 14.2183 14.3664 14.3664 15.4117 15.4117 16.1643 16.1643 18.2901 18.2901 k = 0.4258 0.2458 0.4465 ( 4551 PWs) bands (ev): -64.4971 -64.4971 -34.2614 -34.2614 -33.0564 -33.0564 -33.0560 -33.0560 -0.5496 -0.5496 -0.5419 -0.5419 0.2656 0.2656 0.2991 0.2991 0.3265 0.3265 7.4640 7.4640 8.8895 8.8895 10.4905 10.4905 11.3813 11.3813 11.5307 11.5307 11.8756 11.8756 12.1113 12.1113 12.2921 12.2921 12.4089 12.4089 12.5232 12.5232 12.6946 12.6946 12.8624 12.8624 13.7182 13.7182 13.7710 13.7710 14.0652 14.0652 14.2222 14.2222 14.3637 14.3637 15.2920 15.2920 16.0536 16.0536 18.2805 18.2805 k = 0.4219 0.2436 0.4593 ( 4551 PWs) bands (ev): -64.4971 -64.4971 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5496 -0.5496 -0.5419 -0.5419 0.2656 0.2656 0.2995 0.2995 0.3261 0.3261 7.4971 7.4971 8.9446 8.9446 10.4258 10.4258 11.4054 11.4054 11.5067 11.5067 11.8730 11.8730 12.1278 12.1278 12.2924 12.2924 12.4146 12.4146 12.5156 12.5156 12.6962 12.6962 12.8655 12.8655 13.7128 13.7128 13.7670 13.7670 14.0509 14.0509 14.2276 14.2276 14.3628 14.3628 15.1790 15.1790 15.9457 15.9457 18.2716 18.2716 k = 0.4180 0.2413 0.4720 ( 4547 PWs) bands (ev): -64.4967 -64.4967 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5496 -0.5496 -0.5419 -0.5419 0.2655 0.2655 0.2998 0.2998 0.3257 0.3257 7.5310 7.5310 9.0012 9.0012 10.3601 10.3601 11.4302 11.4302 11.4829 11.4829 11.8705 11.8705 12.1442 12.1442 12.2924 12.2924 12.4205 12.4205 12.5078 12.5078 12.6979 12.6979 12.8682 12.8682 13.7083 13.7083 13.7627 13.7627 14.0381 14.0381 14.2337 14.2337 14.3624 14.3624 15.0771 15.0771 15.8404 15.8404 18.2634 18.2634 k = 0.4141 0.2391 0.4848 ( 4543 PWs) bands (ev): -64.4962 -64.4962 -34.2613 -34.2613 -33.0564 -33.0564 -33.0561 -33.0561 -0.5496 -0.5496 -0.5419 -0.5419 0.2655 0.2655 0.3001 0.3001 0.3255 0.3255 7.5654 7.5654 9.0587 9.0587 10.2930 10.2930 11.4519 11.4519 11.4633 11.4633 11.8687 11.8687 12.1595 12.1595 12.2925 12.2925 12.4261 12.4261 12.5007 12.5007 12.6995 12.6995 12.8707 12.8707 13.7037 13.7037 13.7578 13.7578 14.0237 14.0237 14.2426 14.2426 14.3638 14.3638 14.9819 14.9819 15.7373 15.7373 18.2559 18.2559 k = 0.4102 0.2368 0.4976 ( 4539 PWs) bands (ev): -64.4958 -64.4958 -34.2613 -34.2613 -33.0564 -33.0564 -33.0560 -33.0560 -0.5496 -0.5496 -0.5419 -0.5419 0.2654 0.2654 0.3003 0.3003 0.3254 0.3254 7.6000 7.6000 9.1167 9.1167 10.2257 10.2257 11.4356 11.4356 11.4830 11.4830 11.8670 11.8670 12.1729 12.1729 12.2936 12.2936 12.4304 12.4304 12.4948 12.4948 12.7006 12.7006 12.8729 12.8729 13.6993 13.6993 13.7527 13.7527 14.0083 14.0083 14.2511 14.2511 14.3663 14.3663 14.8969 14.8969 15.6367 15.6367 18.2493 18.2493 k = 0.4062 0.2345 0.5103 ( 4542 PWs) bands (ev): -64.4961 -64.4961 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5497 -0.5497 -0.5419 -0.5419 0.2652 0.2652 0.3005 0.3005 0.3253 0.3253 7.6345 7.6345 9.1741 9.1741 10.1588 10.1588 11.4136 11.4136 11.5091 11.5091 11.8652 11.8652 12.1839 12.1839 12.2957 12.2957 12.4319 12.4319 12.4917 12.4917 12.7010 12.7010 12.8750 12.8750 13.6948 13.6948 13.7473 13.7473 13.9890 13.9890 14.2588 14.2588 14.3686 14.3686 14.8176 14.8176 15.5388 15.5388 18.2422 18.2422 k = 0.4023 0.2323 0.5231 ( 4540 PWs) bands (ev): -64.4959 -64.4959 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5498 -0.5498 -0.5418 -0.5418 0.2651 0.2651 0.3006 0.3006 0.3254 0.3254 7.6685 7.6685 9.2301 9.2301 10.0939 10.0939 11.3926 11.3926 11.5363 11.5363 11.8643 11.8643 12.1919 12.1919 12.3003 12.3003 12.4295 12.4295 12.4926 12.4926 12.7007 12.7007 12.8770 12.8770 13.6907 13.6907 13.7429 13.7429 13.9714 13.9714 14.2688 14.2688 14.3723 14.3723 14.7466 14.7466 15.4449 15.4449 18.2358 18.2358 k = 0.3984 0.2300 0.5358 ( 4542 PWs) bands (ev): -64.4961 -64.4961 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5500 -0.5500 -0.5417 -0.5417 0.2649 0.2649 0.3006 0.3006 0.3255 0.3255 7.7016 7.7016 9.2827 9.2827 10.0335 10.0335 11.3724 11.3724 11.5632 11.5632 11.8632 11.8632 12.1970 12.1970 12.3068 12.3068 12.4234 12.4234 12.4972 12.4972 12.6994 12.6994 12.8793 12.8793 13.6861 13.6861 13.7375 13.7375 13.9528 13.9528 14.2783 14.2783 14.3775 14.3775 14.6837 14.6837 15.3524 15.3524 18.2298 18.2298 k = 0.3945 0.2278 0.5486 ( 4546 PWs) bands (ev): -64.4965 -64.4965 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5501 -0.5501 -0.5417 -0.5417 0.2647 0.2647 0.3006 0.3006 0.3257 0.3257 7.7330 7.7330 9.3291 9.3291 9.9804 9.9804 11.3535 11.3535 11.5901 11.5901 11.8628 11.8628 12.1992 12.1992 12.3148 12.3148 12.4149 12.4149 12.5043 12.5043 12.6970 12.6970 12.8818 12.8818 13.6810 13.6810 13.7325 13.7325 13.9337 13.9337 14.2894 14.2894 14.3817 14.3817 14.6276 14.6276 15.2635 15.2635 18.2235 18.2235 k = 0.3906 0.2255 0.5613 ( 4549 PWs) bands (ev): -64.4968 -64.4968 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5503 -0.5503 -0.5416 -0.5416 0.2645 0.2645 0.3005 0.3005 0.3260 0.3260 7.7622 7.7622 9.3655 9.3655 9.9397 9.9397 11.3365 11.3365 11.6169 11.6169 11.8629 11.8629 12.1993 12.1993 12.3234 12.3234 12.4054 12.4054 12.5128 12.5128 12.6938 12.6938 12.8847 12.8847 13.6759 13.6759 13.7283 13.7283 13.9153 13.9153 14.3011 14.3011 14.3887 14.3887 14.5770 14.5770 15.1782 15.1782 18.2181 18.2181 k = 0.3867 0.2233 0.5741 ( 4543 PWs) bands (ev): -64.4961 -64.4961 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5506 -0.5506 -0.5415 -0.5415 0.2643 0.2643 0.3004 0.3004 0.3263 0.3263 7.7885 7.7885 9.3869 9.3869 9.9170 9.9170 11.3212 11.3212 11.6439 11.6439 11.8638 11.8638 12.1984 12.1984 12.3320 12.3320 12.3959 12.3959 12.5222 12.5222 12.6899 12.6899 12.8883 12.8883 13.6717 13.6717 13.7258 13.7258 13.9000 13.9000 14.3142 14.3142 14.3998 14.3998 14.5361 14.5361 15.0981 15.0981 18.2138 18.2138 k = 0.3828 0.2210 0.5869 ( 4547 PWs) bands (ev): -64.4965 -64.4965 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5508 -0.5508 -0.5414 -0.5414 0.2640 0.2640 0.3003 0.3003 0.3267 0.3267 7.8106 7.8106 9.3901 9.3901 9.9160 9.9160 11.3076 11.3076 11.6702 11.6702 11.8644 11.8644 12.1956 12.1956 12.3390 12.3390 12.3868 12.3868 12.5318 12.5318 12.6851 12.6851 12.8925 12.8925 13.6668 13.6668 13.7238 13.7238 13.8872 13.8872 14.3230 14.3230 14.4049 14.4049 14.4987 14.4987 15.0226 15.0226 18.2089 18.2089 k = 0.3789 0.2188 0.5996 ( 4536 PWs) bands (ev): -64.4954 -64.4954 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5511 -0.5511 -0.5413 -0.5413 0.2637 0.2637 0.3001 0.3001 0.3271 0.3271 7.8278 7.8278 9.3765 9.3765 9.9373 9.9373 11.2960 11.2960 11.6957 11.6957 11.8659 11.8659 12.1940 12.1940 12.3434 12.3434 12.3803 12.3803 12.5416 12.5416 12.6798 12.6798 12.8977 12.8977 13.6623 13.6623 13.7233 13.7233 13.8782 13.8782 14.3320 14.3320 14.4163 14.4163 14.4765 14.4765 14.9536 14.9536 18.2060 18.2060 k = 0.3750 0.2165 0.6124 ( 4538 PWs) bands (ev): -64.4956 -64.4956 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5513 -0.5513 -0.5412 -0.5412 0.2635 0.2635 0.3000 0.3000 0.3275 0.3275 7.8384 7.8384 9.3514 9.3514 9.9757 9.9757 11.2866 11.2866 11.7194 11.7194 11.8673 11.8673 12.1912 12.1912 12.3428 12.3428 12.3774 12.3774 12.5511 12.5511 12.6740 12.6740 12.9037 12.9037 13.6561 13.6561 13.7231 13.7231 13.8685 13.8685 14.3350 14.3350 14.4157 14.4157 14.4637 14.4637 14.8907 14.8907 18.2024 18.2024 k = 0.6250-0.0722 0.4082 ( 4538 PWs) bands (ev): -64.4956 -64.4956 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5513 -0.5513 -0.5412 -0.5412 0.2635 0.2635 0.3000 0.3000 0.3275 0.3275 7.8384 7.8384 9.3514 9.3514 9.9757 9.9757 11.2866 11.2866 11.7194 11.7194 11.8673 11.8673 12.1912 12.1912 12.3428 12.3428 12.3774 12.3774 12.5511 12.5511 12.6740 12.6740 12.9037 12.9037 13.6561 13.6561 13.7231 13.7231 13.8685 13.8685 14.3350 14.3350 14.4157 14.4157 14.4637 14.4637 14.8907 14.8907 18.2024 18.2024 k = 0.6184-0.0836 0.4082 ( 4534 PWs) bands (ev): -64.4951 -64.4951 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5518 -0.5518 -0.5410 -0.5410 0.2630 0.2630 0.2996 0.2996 0.3282 0.3282 7.8479 7.8479 9.3044 9.3044 10.0546 10.0546 11.2731 11.2731 11.7586 11.7586 11.8711 11.8711 12.1873 12.1873 12.3336 12.3336 12.3804 12.3804 12.5670 12.5670 12.6645 12.6645 12.9145 12.9145 13.6458 13.6458 13.7243 13.7243 13.8551 13.8551 14.3376 14.3376 14.4081 14.4081 14.4613 14.4613 14.7938 14.7938 18.1974 18.1974 k = 0.6118-0.0950 0.4082 ( 4546 PWs) bands (ev): -64.4964 -64.4964 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5523 -0.5523 -0.5409 -0.5409 0.2624 0.2624 0.2993 0.2993 0.3289 0.3289 7.8532 7.8532 9.2594 9.2594 10.1364 10.1364 11.2599 11.2599 11.7965 11.7965 11.8764 11.8764 12.1804 12.1804 12.3196 12.3196 12.3874 12.3874 12.5827 12.5827 12.6566 12.6566 12.9249 12.9249 13.6329 13.6329 13.7250 13.7250 13.8381 13.8381 14.3391 14.3391 14.3939 14.3939 14.4583 14.4583 14.6974 14.6974 18.1902 18.1902 k = 0.6053-0.1064 0.4082 ( 4542 PWs) bands (ev): -64.4960 -64.4960 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5529 -0.5529 -0.5407 -0.5407 0.2619 0.2619 0.2990 0.2990 0.3297 0.3297 7.8552 7.8552 9.2168 9.2168 10.2215 10.2215 11.2480 11.2480 11.8323 11.8323 11.8857 11.8857 12.1747 12.1747 12.3044 12.3044 12.3961 12.3961 12.5978 12.5978 12.6526 12.6526 12.9350 12.9350 13.6220 13.6220 13.7267 13.7267 13.8274 13.8274 14.3413 14.3413 14.3853 14.3853 14.4603 14.4603 14.6055 14.6055 18.1853 18.1853 k = 0.5987-0.1177 0.4082 ( 4542 PWs) bands (ev): -64.4959 -64.4959 -34.2614 -34.2614 -33.0564 -33.0564 -33.0561 -33.0561 -0.5534 -0.5534 -0.5406 -0.5406 0.2614 0.2614 0.2986 0.2986 0.3304 0.3304 7.8544 7.8544 9.1765 9.1765 10.3076 10.3076 11.2362 11.2362 11.8589 11.8589 11.9046 11.9046 12.1688 12.1688 12.2886 12.2886 12.4035 12.4035 12.6114 12.6114 12.6540 12.6540 12.9446 12.9446 13.6104 13.6104 13.7280 13.7280 13.8161 13.8161 14.3420 14.3420 14.3777 14.3777 14.4593 14.4593 14.5183 14.5183 18.1789 18.1789 k = 0.5921-0.1291 0.4082 ( 4548 PWs) bands (ev): -64.4965 -64.4965 -34.2614 -34.2614 -33.0565 -33.0565 -33.0561 -33.0561 -0.5539 -0.5539 -0.5404 -0.5404 0.2608 0.2608 0.2982 0.2982 0.3312 0.3312 7.8514 7.8514 9.1385 9.1385 10.3935 10.3935 11.2250 11.2250 11.8732 11.8732 11.9355 11.9355 12.1627 12.1627 12.2728 12.2728 12.4083 12.4083 12.6237 12.6237 12.6624 12.6624 12.9537 12.9537 13.5968 13.5968 13.7287 13.7287 13.8043 13.8043 14.3396 14.3396 14.3711 14.3711 14.4193 14.4193 14.4720 14.4720 18.1714 18.1714 k = 0.5855-0.1405 0.4082 ( 4550 PWs) bands (ev): -64.4967 -64.4967 -34.2614 -34.2614 -33.0565 -33.0565 -33.0561 -33.0561 -0.5544 -0.5544 -0.5403 -0.5403 0.2603 0.2603 0.2979 0.2979 0.3319 0.3319 7.8468 7.8468 9.1030 9.1030 10.4786 10.4786 11.2145 11.2145 11.8821 11.8821 11.9722 11.9722 12.1566 12.1566 12.2568 12.2568 12.4098 12.4098 12.6370 12.6370 12.6768 12.6768 12.9621 12.9621 13.5858 13.5858 13.7294 13.7294 13.7949 13.7949 14.3121 14.3121 14.3614 14.3614 14.3680 14.3680 14.4691 14.4691 18.1635 18.1635 k = 0.5789-0.1519 0.4082 ( 4546 PWs) bands (ev): -64.4962 -64.4962 -34.2614 -34.2614 -33.0565 -33.0565 -33.0561 -33.0561 -0.5549 -0.5549 -0.5402 -0.5402 0.2598 0.2598 0.2976 0.2976 0.3326 0.3326 7.8412 7.8412 9.0700 9.0700 10.5616 10.5616 11.2049 11.2049 11.8897 11.8897 12.0101 12.0101 12.1506 12.1506 12.2415 12.2415 12.4078 12.4078 12.6537 12.6537 12.6953 12.6953 12.9700 12.9700 13.5759 13.5759 13.7296 13.7296 13.7861 13.7861 14.2407 14.2407 14.3531 14.3531 14.3638 14.3638 14.4737 14.4737 18.1544 18.1544 k = 0.5724-0.1633 0.4082 ( 4550 PWs) bands (ev): -64.4966 -64.4966 -34.2614 -34.2614 -33.0565 -33.0565 -33.0561 -33.0561 -0.5554 -0.5554 -0.5401 -0.5401 0.2593 0.2593 0.2972 0.2972 0.3333 0.3333 7.8350 7.8350 9.0395 9.0395 10.6408 10.6408 11.1960 11.1960 11.8974 11.8974 12.0462 12.0462 12.1444 12.1444 12.2270 12.2270 12.4025 12.4025 12.6743 12.6743 12.7165 12.7165 12.9772 12.9772 13.5621 13.5621 13.7286 13.7286 13.7764 13.7764 14.1580 14.1580 14.3523 14.3523 14.3623 14.3623 14.4780 14.4780 18.1436 18.1436 k = 0.5658-0.1747 0.4082 ( 4554 PWs) bands (ev): -64.4970 -64.4970 -34.2614 -34.2614 -33.0565 -33.0565 -33.0561 -33.0561 -0.5558 -0.5558 -0.5400 -0.5400 0.2588 0.2588 0.2969 0.2969 0.3339 0.3339 7.8283 7.8283 9.0115 9.0115 10.7161 10.7161 11.1878 11.1878 11.9046 11.9046 12.0809 12.0809 12.1384 12.1384 12.2125 12.2125 12.3951 12.3951 12.6985 12.6985 12.7407 12.7407 12.9838 12.9838 13.5489 13.5489 13.7270 13.7270 13.7685 13.7685 14.0781 14.0781 14.3507 14.3507 14.3608 14.3608 14.4813 14.4813 18.1304 18.1304 k = 0.5592-0.1861 0.4082 ( 4548 PWs) bands (ev): -64.4964 -64.4964 -34.2614 -34.2614 -33.0565 -33.0565 -33.0561 -33.0561 -0.5563 -0.5563 -0.5399 -0.5399 0.2584 0.2584 0.2966 0.2966 0.3345 0.3345 7.8216 7.8216 8.9861 8.9861 10.7856 10.7856 11.1805 11.1805 11.9128 11.9128 12.1136 12.1136 12.1338 12.1338 12.2002 12.2002 12.3869 12.3869 12.7250 12.7250 12.7679 12.7679 12.9899 12.9899 13.5378 13.5378 13.7227 13.7227 13.7608 13.7608 14.0050 14.0050 14.3540 14.3540 14.3659 14.3659 14.4854 14.4854 18.1140 18.1140 k = 0.5526-0.1975 0.4082 ( 4556 PWs) bands (ev): -64.4972 -64.4972 -34.2614 -34.2614 -33.0565 -33.0565 -33.0561 -33.0561 -0.5567 -0.5567 -0.5399 -0.5399 0.2580 0.2580 0.2964 0.2964 0.3351 0.3351 7.8147 7.8147 8.9633 8.9633 10.8497 10.8497 11.1739 11.1739 11.9200 11.9200 12.1278 12.1278 12.1431 12.1431 12.1869 12.1869 12.3786 12.3786 12.7527 12.7527 12.7981 12.7981 12.9954 12.9954 13.5249 13.5249 13.7168 13.7168 13.7555 13.7555 13.9346 13.9346 14.3524 14.3524 14.3643 14.3643 14.4836 14.4836 18.0935 18.0935 k = 0.5461-0.2089 0.4082 ( 4548 PWs) bands (ev): -64.4964 -64.4964 -34.2614 -34.2614 -33.0565 -33.0565 -33.0561 -33.0561 -0.5570 -0.5570 -0.5398 -0.5398 0.2576 0.2576 0.2961 0.2961 0.3356 0.3356 7.8085 7.8085 8.9431 8.9431 10.9079 10.9079 11.1685 11.1685 11.9277 11.9277 12.1240 12.1240 12.1674 12.1674 12.1765 12.1765 12.3717 12.3717 12.7807 12.7807 12.8307 12.8307 13.0005 13.0005 13.5116 13.5116 13.7111 13.7111 13.7521 13.7521 13.8728 13.8728 14.3554 14.3554 14.3671 14.3671 14.4879 14.4879 18.0700 18.0700 k = 0.5395-0.2203 0.4082 ( 4540 PWs) bands (ev): -64.4955 -64.4955 -34.2614 -34.2614 -33.0565 -33.0565 -33.0560 -33.0560 -0.5573 -0.5573 -0.5398 -0.5398 0.2573 0.2573 0.2959 0.2959 0.3360 0.3360 7.8027 7.8027 8.9256 8.9256 10.9588 10.9588 11.1643 11.1643 11.9353 11.9353 12.1197 12.1197 12.1657 12.1657 12.1890 12.1890 12.3667 12.3667 12.8087 12.8087 12.8644 12.8644 13.0054 13.0054 13.4964 13.4964 13.7034 13.7034 13.7493 13.7493 13.8204 13.8204 14.3583 14.3583 14.3704 14.3704 14.4905 14.4905 18.0419 18.0419 k = 0.5329-0.2317 0.4082 ( 4536 PWs) bands (ev): -64.4951 -64.4951 -34.2614 -34.2614 -33.0565 -33.0565 -33.0560 -33.0560 -0.5576 -0.5576 -0.5397 -0.5397 0.2570 0.2570 0.2957 0.2957 0.3364 0.3364 7.7977 7.7977 8.9107 8.9107 11.0019 11.0019 11.1611 11.1611 11.9425 11.9425 12.1142 12.1142 12.1575 12.1575 12.2038 12.2038 12.3642 12.3642 12.8359 12.8359 12.8975 12.8975 13.0103 13.0103 13.4778 13.4778 13.6939 13.6939 13.7461 13.7461 13.7783 13.7783 14.3590 14.3590 14.3712 14.3712 14.4947 14.4947 18.0106 18.0106 k = 0.5263-0.2431 0.4082 ( 4540 PWs) bands (ev): -64.4955 -64.4955 -34.2614 -34.2614 -33.0565 -33.0565 -33.0560 -33.0560 -0.5578 -0.5578 -0.5397 -0.5397 0.2568 0.2568 0.2956 0.2956 0.3367 0.3367 7.7931 7.7931 8.8985 8.8985 11.0378 11.0378 11.1590 11.1590 11.9490 11.9490 12.1084 12.1084 12.1502 12.1502 12.2137 12.2137 12.3641 12.3641 12.8614 12.8614 12.9279 12.9279 13.0157 13.0157 13.4557 13.4557 13.6840 13.6840 13.7335 13.7335 13.7541 13.7541 14.3574 14.3574 14.3702 14.3702 14.4925 14.4925 17.9775 17.9775 k = 0.5197-0.2545 0.4082 ( 4544 PWs) bands (ev): -64.4959 -64.4959 -34.2614 -34.2614 -33.0565 -33.0565 -33.0560 -33.0560 -0.5580 -0.5580 -0.5397 -0.5397 0.2566 0.2566 0.2955 0.2955 0.3370 0.3370 7.7897 7.7897 8.8890 8.8890 11.0640 11.0640 11.1587 11.1587 11.9549 11.9549 12.1032 12.1032 12.1451 12.1451 12.2195 12.2195 12.3656 12.3656 12.8839 12.8839 12.9532 12.9532 13.0225 13.0225 13.4321 13.4321 13.6689 13.6689 13.7114 13.7114 13.7500 13.7500 14.3574 14.3574 14.3704 14.3704 14.4929 14.4929 17.9478 17.9478 k = 0.5132-0.2659 0.4082 ( 4544 PWs) bands (ev): -64.4959 -64.4959 -34.2614 -34.2614 -33.0565 -33.0565 -33.0560 -33.0560 -0.5582 -0.5582 -0.5396 -0.5396 0.2565 0.2565 0.2954 0.2954 0.3372 0.3372 7.7872 7.7872 8.8822 8.8822 11.0815 11.0815 11.1598 11.1598 11.9594 11.9594 12.0990 12.0990 12.1417 12.1417 12.2225 12.2225 12.3677 12.3677 12.9018 12.9018 12.9710 12.9710 13.0309 13.0309 13.4103 13.4103 13.6555 13.6555 13.7000 13.7000 13.7490 13.7490 14.3577 14.3577 14.3707 14.3707 14.4943 14.4943 17.9238 17.9238 k = 0.5066-0.2773 0.4082 ( 4556 PWs) bands (ev): -64.4972 -64.4972 -34.2614 -34.2614 -33.0566 -33.0566 -33.0560 -33.0560 -0.5582 -0.5582 -0.5396 -0.5396 0.2564 0.2564 0.2953 0.2953 0.3373 0.3373 7.7856 7.7856 8.8781 8.8781 11.0910 11.0910 11.1612 11.1612 11.9624 11.9624 12.0949 12.0949 12.1383 12.1383 12.2238 12.2238 12.3694 12.3694 12.9133 12.9133 12.9806 12.9806 13.0389 13.0389 13.3944 13.3944 13.6432 13.6432 13.6920 13.6920 13.7485 13.7485 14.3538 14.3538 14.3668 14.3668 14.4926 14.4926 17.9079 17.9079 k = 0.5000-0.2887 0.4082 ( 4568 PWs) bands (ev): -64.4985 -64.4985 -34.2614 -34.2614 -33.0566 -33.0566 -33.0561 -33.0561 -0.5583 -0.5583 -0.5396 -0.5396 0.2564 0.2564 0.2953 0.2953 0.3373 0.3373 7.7850 7.7850 8.8768 8.8768 11.0921 11.0921 11.1618 11.1618 11.9634 11.9634 12.0931 12.0931 12.1368 12.1368 12.2241 12.2241 12.3700 12.3700 12.9173 12.9173 12.9835 12.9835 13.0423 13.0423 13.3885 13.3885 13.6365 13.6365 13.6867 13.6867 13.7484 13.7484 14.3520 14.3520 14.3644 14.3644 14.4902 14.4902 17.9025 17.9025 Writing output data file MnInNi2.save init_run : 0.21s CPU 0.34s WALL ( 1 calls) electrons : 177.66s CPU 180.39s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 177.66s CPU 180.38s 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 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.08s WALL ( 346 calls) cegterg : 160.26s CPU 162.26s WALL ( 407 calls) Called by sum_band: Called by *egterg: h_psi : 101.49s CPU 103.04s WALL ( 6672 calls) s_psi : 4.74s CPU 4.74s WALL ( 6672 calls) g_psi : 0.23s CPU 0.26s WALL ( 5919 calls) cdiaghg : 49.57s CPU 50.43s WALL ( 6265 calls) cegterg:over : 6.87s CPU 6.67s WALL ( 5919 calls) cegterg:upda : 5.79s CPU 5.58s WALL ( 5919 calls) cegterg:last : 3.25s CPU 3.34s WALL ( 1099 calls) cdiaghg:chol : 2.74s CPU 2.85s WALL ( 6265 calls) cdiaghg:inve : 2.04s CPU 1.97s WALL ( 6265 calls) cdiaghg:para : 3.08s CPU 3.08s WALL ( 12530 calls) Called by h_psi: h_psi:vloc : 89.29s CPU 90.65s WALL ( 6672 calls) h_psi:vnl : 11.94s CPU 12.13s WALL ( 6672 calls) add_vuspsi : 6.45s CPU 6.30s WALL ( 6672 calls) General routines calbec : 5.47s CPU 5.80s WALL ( 6672 calls) fft : 0.00s CPU 0.00s WALL ( 15 calls) fftw : 84.27s CPU 85.62s WALL ( 820488 calls) davcio : 0.22s CPU 0.33s WALL ( 692 calls) Parallel routines fft_scatter : 28.56s CPU 29.28s WALL ( 820503 calls) PWSCF : 3m17.05s CPU 3m34.14s WALL This run was terminated on: 19:37:36 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=