Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:17:30 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: ./ZnTe.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 35 22 6 808 417 66 Max 36 23 7 811 432 69 Sum 1261 817 241 29123 15353 2445 bravais-lattice index = 14 lattice parameter (alat) = 8.1110 a.u. unit-cell volume = 377.3137 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 45.0000 Ry charge density cutoff = 276.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.110965 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 Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Zn read from file: /users/gautes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 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 Te 6.00 127.60000 Te( 1.00) Zn 12.00 65.40900 Zn( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 1 -1 0 ) ( 1 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) ( 0 1 0 ) ( 0 1 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) ( 1 0 0 ) ( 1 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 1 0 ) ( 0 1 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 346 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 2) = ( 0.0096154 -0.0055514 0.0078509), wk = 0.0028902 k( 3) = ( 0.0192308 -0.0111029 0.0157019), wk = 0.0028902 k( 4) = ( 0.0288462 -0.0166543 0.0235528), wk = 0.0028902 k( 5) = ( 0.0384615 -0.0222058 0.0314037), wk = 0.0028902 k( 6) = ( 0.0480769 -0.0277572 0.0392546), wk = 0.0028902 k( 7) = ( 0.0576923 -0.0333087 0.0471056), wk = 0.0028902 k( 8) = ( 0.0673077 -0.0388601 0.0549565), wk = 0.0028902 k( 9) = ( 0.0769231 -0.0444116 0.0628074), wk = 0.0028902 k( 10) = ( 0.0865385 -0.0499630 0.0706584), wk = 0.0028902 k( 11) = ( 0.0961538 -0.0555145 0.0785093), wk = 0.0028902 k( 12) = ( 0.1057692 -0.0610659 0.0863602), wk = 0.0028902 k( 13) = ( 0.1153846 -0.0666173 0.0942111), wk = 0.0028902 k( 14) = ( 0.1250000 -0.0721688 0.1020621), wk = 0.0028902 k( 15) = ( 0.1346154 -0.0777202 0.1099130), wk = 0.0028902 k( 16) = ( 0.1442308 -0.0832717 0.1177639), wk = 0.0028902 k( 17) = ( 0.1538461 -0.0888231 0.1256149), wk = 0.0028902 k( 18) = ( 0.1634615 -0.0943746 0.1334658), wk = 0.0028902 k( 19) = ( 0.1730769 -0.0999260 0.1413167), wk = 0.0028902 k( 20) = ( 0.1826923 -0.1054775 0.1491676), wk = 0.0028902 k( 21) = ( 0.1923077 -0.1110289 0.1570186), wk = 0.0028902 k( 22) = ( 0.2019231 -0.1165803 0.1648695), wk = 0.0028902 k( 23) = ( 0.2115385 -0.1221318 0.1727204), wk = 0.0028902 k( 24) = ( 0.2211539 -0.1276832 0.1805714), wk = 0.0028902 k( 25) = ( 0.2307692 -0.1332347 0.1884223), wk = 0.0028902 k( 26) = ( 0.2403846 -0.1387861 0.1962732), wk = 0.0028902 k( 27) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0028902 k( 28) = ( 0.2596154 -0.1498890 0.2119751), wk = 0.0028902 k( 29) = ( 0.2692308 -0.1554405 0.2198260), wk = 0.0028902 k( 30) = ( 0.2788462 -0.1609919 0.2276769), wk = 0.0028902 k( 31) = ( 0.2884615 -0.1665433 0.2355279), wk = 0.0028902 k( 32) = ( 0.2980769 -0.1720948 0.2433788), wk = 0.0028902 k( 33) = ( 0.3076923 -0.1776462 0.2512297), wk = 0.0028902 k( 34) = ( 0.3173077 -0.1831977 0.2590806), wk = 0.0028902 k( 35) = ( 0.3269231 -0.1887491 0.2669316), wk = 0.0028902 k( 36) = ( 0.3365385 -0.1943006 0.2747825), wk = 0.0028902 k( 37) = ( 0.3461538 -0.1998520 0.2826334), wk = 0.0028902 k( 38) = ( 0.3557692 -0.2054035 0.2904844), wk = 0.0028902 k( 39) = ( 0.3653846 -0.2109549 0.2983353), wk = 0.0028902 k( 40) = ( 0.3750000 -0.2165064 0.3061862), wk = 0.0028902 k( 41) = ( 0.3846154 -0.2220578 0.3140371), wk = 0.0028902 k( 42) = ( 0.3942308 -0.2276092 0.3218881), wk = 0.0028902 k( 43) = ( 0.4038462 -0.2331607 0.3297390), wk = 0.0028902 k( 44) = ( 0.4134615 -0.2387121 0.3375899), wk = 0.0028902 k( 45) = ( 0.4230769 -0.2442636 0.3454409), wk = 0.0028902 k( 46) = ( 0.4326923 -0.2498150 0.3532918), wk = 0.0028902 k( 47) = ( 0.4423077 -0.2553665 0.3611427), wk = 0.0028902 k( 48) = ( 0.4519231 -0.2609179 0.3689936), wk = 0.0028902 k( 49) = ( 0.4615385 -0.2664694 0.3768446), wk = 0.0028902 k( 50) = ( 0.4711538 -0.2720208 0.3846955), wk = 0.0028902 k( 51) = ( 0.4807692 -0.2775722 0.3925464), wk = 0.0028902 k( 52) = ( 0.4903846 -0.2831237 0.4003974), wk = 0.0028902 k( 53) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028902 k( 54) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028902 k( 55) = ( 0.5000000 -0.2775723 0.4160992), wk = 0.0028902 k( 56) = ( 0.5000000 -0.2664694 0.4239501), wk = 0.0028902 k( 57) = ( 0.5000000 -0.2553665 0.4318011), wk = 0.0028902 k( 58) = ( 0.5000000 -0.2442636 0.4396520), wk = 0.0028902 k( 59) = ( 0.5000000 -0.2331607 0.4475029), wk = 0.0028902 k( 60) = ( 0.5000000 -0.2220578 0.4553539), wk = 0.0028902 k( 61) = ( 0.5000000 -0.2109549 0.4632048), wk = 0.0028902 k( 62) = ( 0.5000000 -0.1998520 0.4710557), wk = 0.0028902 k( 63) = ( 0.5000000 -0.1887491 0.4789066), wk = 0.0028902 k( 64) = ( 0.5000000 -0.1776462 0.4867576), wk = 0.0028902 k( 65) = ( 0.5000000 -0.1665433 0.4946085), wk = 0.0028902 k( 66) = ( 0.5000000 -0.1554405 0.5024594), wk = 0.0028902 k( 67) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0028902 k( 68) = ( 0.5000000 -0.1332347 0.5181613), wk = 0.0028902 k( 69) = ( 0.5000000 -0.1221318 0.5260122), wk = 0.0028902 k( 70) = ( 0.5000000 -0.1110289 0.5338631), wk = 0.0028902 k( 71) = ( 0.5000000 -0.0999260 0.5417141), wk = 0.0028902 k( 72) = ( 0.5000000 -0.0888231 0.5495650), wk = 0.0028902 k( 73) = ( 0.5000000 -0.0777202 0.5574159), wk = 0.0028902 k( 74) = ( 0.5000000 -0.0666173 0.5652669), wk = 0.0028902 k( 75) = ( 0.5000000 -0.0555144 0.5731178), wk = 0.0028902 k( 76) = ( 0.5000000 -0.0444116 0.5809687), wk = 0.0028902 k( 77) = ( 0.5000000 -0.0333087 0.5888197), wk = 0.0028902 k( 78) = ( 0.5000000 -0.0222058 0.5966706), wk = 0.0028902 k( 79) = ( 0.5000000 -0.0111029 0.6045215), wk = 0.0028902 k( 80) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028902 k( 81) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028902 k( 82) = ( 0.4934211 0.0113951 0.6123724), wk = 0.0028902 k( 83) = ( 0.4868421 0.0227901 0.6123724), wk = 0.0028902 k( 84) = ( 0.4802632 0.0341852 0.6123724), wk = 0.0028902 k( 85) = ( 0.4736842 0.0455803 0.6123724), wk = 0.0028902 k( 86) = ( 0.4671053 0.0569754 0.6123724), wk = 0.0028902 k( 87) = ( 0.4605263 0.0683704 0.6123724), wk = 0.0028902 k( 88) = ( 0.4539474 0.0797655 0.6123724), wk = 0.0028902 k( 89) = ( 0.4473684 0.0911606 0.6123724), wk = 0.0028902 k( 90) = ( 0.4407895 0.1025556 0.6123724), wk = 0.0028902 k( 91) = ( 0.4342105 0.1139507 0.6123724), wk = 0.0028902 k( 92) = ( 0.4276316 0.1253458 0.6123724), wk = 0.0028902 k( 93) = ( 0.4210526 0.1367409 0.6123724), wk = 0.0028902 k( 94) = ( 0.4144737 0.1481359 0.6123724), wk = 0.0028902 k( 95) = ( 0.4078947 0.1595310 0.6123724), wk = 0.0028902 k( 96) = ( 0.4013158 0.1709261 0.6123724), wk = 0.0028902 k( 97) = ( 0.3947368 0.1823211 0.6123724), wk = 0.0028902 k( 98) = ( 0.3881579 0.1937162 0.6123724), wk = 0.0028902 k( 99) = ( 0.3815789 0.2051113 0.6123724), wk = 0.0028902 k( 100) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028902 k( 101) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028902 k( 102) = ( 0.3681818 0.2125699 0.6012384), wk = 0.0028902 k( 103) = ( 0.3613636 0.2086334 0.5901043), wk = 0.0028902 k( 104) = ( 0.3545454 0.2046969 0.5789703), wk = 0.0028902 k( 105) = ( 0.3477273 0.2007604 0.5678363), wk = 0.0028902 k( 106) = ( 0.3409091 0.1968240 0.5567022), wk = 0.0028902 k( 107) = ( 0.3340909 0.1928875 0.5455682), wk = 0.0028902 k( 108) = ( 0.3272727 0.1889510 0.5344341), wk = 0.0028902 k( 109) = ( 0.3204546 0.1850145 0.5233001), wk = 0.0028902 k( 110) = ( 0.3136364 0.1810780 0.5121660), wk = 0.0028902 k( 111) = ( 0.3068182 0.1771416 0.5010320), wk = 0.0028902 k( 112) = ( 0.3000000 0.1732051 0.4898979), wk = 0.0028902 k( 113) = ( 0.2931818 0.1692686 0.4787639), wk = 0.0028902 k( 114) = ( 0.2863636 0.1653321 0.4676299), wk = 0.0028902 k( 115) = ( 0.2795454 0.1613956 0.4564958), wk = 0.0028902 k( 116) = ( 0.2727273 0.1574592 0.4453618), wk = 0.0028902 k( 117) = ( 0.2659091 0.1535227 0.4342277), wk = 0.0028902 k( 118) = ( 0.2590909 0.1495862 0.4230937), wk = 0.0028902 k( 119) = ( 0.2522727 0.1456497 0.4119596), wk = 0.0028902 k( 120) = ( 0.2454545 0.1417133 0.4008256), wk = 0.0028902 k( 121) = ( 0.2386364 0.1377768 0.3896916), wk = 0.0028902 k( 122) = ( 0.2318182 0.1338403 0.3785575), wk = 0.0028902 k( 123) = ( 0.2250000 0.1299038 0.3674235), wk = 0.0028902 k( 124) = ( 0.2181818 0.1259673 0.3562894), wk = 0.0028902 k( 125) = ( 0.2113636 0.1220309 0.3451554), wk = 0.0028902 k( 126) = ( 0.2045454 0.1180944 0.3340213), wk = 0.0028902 k( 127) = ( 0.1977273 0.1141579 0.3228873), wk = 0.0028902 k( 128) = ( 0.1909091 0.1102214 0.3117532), wk = 0.0028902 k( 129) = ( 0.1840909 0.1062849 0.3006192), wk = 0.0028902 k( 130) = ( 0.1772727 0.1023485 0.2894851), wk = 0.0028902 k( 131) = ( 0.1704546 0.0984120 0.2783511), wk = 0.0028902 k( 132) = ( 0.1636364 0.0944755 0.2672171), wk = 0.0028902 k( 133) = ( 0.1568182 0.0905390 0.2560830), wk = 0.0028902 k( 134) = ( 0.1500000 0.0866025 0.2449490), wk = 0.0028902 k( 135) = ( 0.1431818 0.0826661 0.2338149), wk = 0.0028902 k( 136) = ( 0.1363636 0.0787296 0.2226809), wk = 0.0028902 k( 137) = ( 0.1295455 0.0747931 0.2115468), wk = 0.0028902 k( 138) = ( 0.1227273 0.0708566 0.2004128), wk = 0.0028902 k( 139) = ( 0.1159091 0.0669201 0.1892788), wk = 0.0028902 k( 140) = ( 0.1090909 0.0629837 0.1781447), wk = 0.0028902 k( 141) = ( 0.1022727 0.0590472 0.1670107), wk = 0.0028902 k( 142) = ( 0.0954545 0.0551107 0.1558766), wk = 0.0028902 k( 143) = ( 0.0886364 0.0511742 0.1447426), wk = 0.0028902 k( 144) = ( 0.0818182 0.0472377 0.1336085), wk = 0.0028902 k( 145) = ( 0.0750000 0.0433013 0.1224745), wk = 0.0028902 k( 146) = ( 0.0681818 0.0393648 0.1113404), wk = 0.0028902 k( 147) = ( 0.0613636 0.0354283 0.1002064), wk = 0.0028902 k( 148) = ( 0.0545455 0.0314918 0.0890724), wk = 0.0028902 k( 149) = ( 0.0477273 0.0275554 0.0779383), wk = 0.0028902 k( 150) = ( 0.0409091 0.0236189 0.0668043), wk = 0.0028902 k( 151) = ( 0.0340909 0.0196824 0.0556702), wk = 0.0028902 k( 152) = ( 0.0272727 0.0157459 0.0445362), wk = 0.0028902 k( 153) = ( 0.0204545 0.0118094 0.0334021), wk = 0.0028902 k( 154) = ( 0.0136364 0.0078730 0.0222681), wk = 0.0028902 k( 155) = ( 0.0068182 0.0039365 0.0111340), wk = 0.0028902 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 158) = ( 0.0111111 0.0064150 0.0045361), wk = 0.0028902 k( 159) = ( 0.0222222 0.0128300 0.0090722), wk = 0.0028902 k( 160) = ( 0.0333333 0.0192450 0.0136083), wk = 0.0028902 k( 161) = ( 0.0444444 0.0256600 0.0181444), wk = 0.0028902 k( 162) = ( 0.0555556 0.0320750 0.0226805), wk = 0.0028902 k( 163) = ( 0.0666667 0.0384900 0.0272166), wk = 0.0028902 k( 164) = ( 0.0777778 0.0449050 0.0317526), wk = 0.0028902 k( 165) = ( 0.0888889 0.0513200 0.0362887), wk = 0.0028902 k( 166) = ( 0.1000000 0.0577350 0.0408248), wk = 0.0028902 k( 167) = ( 0.1111111 0.0641500 0.0453609), wk = 0.0028902 k( 168) = ( 0.1222222 0.0705650 0.0498970), wk = 0.0028902 k( 169) = ( 0.1333333 0.0769800 0.0544331), wk = 0.0028902 k( 170) = ( 0.1444444 0.0833950 0.0589692), wk = 0.0028902 k( 171) = ( 0.1555556 0.0898100 0.0635053), wk = 0.0028902 k( 172) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0028902 k( 173) = ( 0.1777778 0.1026400 0.0725775), wk = 0.0028902 k( 174) = ( 0.1888889 0.1090551 0.0771136), wk = 0.0028902 k( 175) = ( 0.2000000 0.1154701 0.0816497), wk = 0.0028902 k( 176) = ( 0.2111111 0.1218851 0.0861857), wk = 0.0028902 k( 177) = ( 0.2222222 0.1283001 0.0907218), wk = 0.0028902 k( 178) = ( 0.2333333 0.1347151 0.0952579), wk = 0.0028902 k( 179) = ( 0.2444444 0.1411301 0.0997940), wk = 0.0028902 k( 180) = ( 0.2555556 0.1475451 0.1043301), wk = 0.0028902 k( 181) = ( 0.2666667 0.1539601 0.1088662), wk = 0.0028902 k( 182) = ( 0.2777778 0.1603751 0.1134023), wk = 0.0028902 k( 183) = ( 0.2888889 0.1667901 0.1179384), wk = 0.0028902 k( 184) = ( 0.3000000 0.1732051 0.1224745), wk = 0.0028902 k( 185) = ( 0.3111111 0.1796201 0.1270106), wk = 0.0028902 k( 186) = ( 0.3222222 0.1860351 0.1315467), wk = 0.0028902 k( 187) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0028902 k( 188) = ( 0.3444444 0.1988651 0.1406189), wk = 0.0028902 k( 189) = ( 0.3555556 0.2052801 0.1451549), wk = 0.0028902 k( 190) = ( 0.3666667 0.2116951 0.1496910), wk = 0.0028902 k( 191) = ( 0.3777778 0.2181101 0.1542271), wk = 0.0028902 k( 192) = ( 0.3888889 0.2245251 0.1587632), wk = 0.0028902 k( 193) = ( 0.4000000 0.2309401 0.1632993), wk = 0.0028902 k( 194) = ( 0.4111111 0.2373551 0.1678354), wk = 0.0028902 k( 195) = ( 0.4222222 0.2437701 0.1723715), wk = 0.0028902 k( 196) = ( 0.4333333 0.2501851 0.1769076), wk = 0.0028902 k( 197) = ( 0.4444444 0.2566001 0.1814437), wk = 0.0028902 k( 198) = ( 0.4555556 0.2630151 0.1859798), wk = 0.0028902 k( 199) = ( 0.4666667 0.2694301 0.1905159), wk = 0.0028902 k( 200) = ( 0.4777778 0.2758451 0.1950520), wk = 0.0028902 k( 201) = ( 0.4888889 0.2822601 0.1995881), wk = 0.0028902 k( 202) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028902 k( 203) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028902 k( 204) = ( 0.5039062 0.2773988 0.2105030), wk = 0.0028902 k( 205) = ( 0.5078125 0.2661224 0.2168819), wk = 0.0028902 k( 206) = ( 0.5117188 0.2548460 0.2232608), wk = 0.0028902 k( 207) = ( 0.5156250 0.2435696 0.2296397), wk = 0.0028902 k( 208) = ( 0.5195312 0.2322933 0.2360185), wk = 0.0028902 k( 209) = ( 0.5234375 0.2210169 0.2423974), wk = 0.0028902 k( 210) = ( 0.5273438 0.2097405 0.2487763), wk = 0.0028902 k( 211) = ( 0.5312500 0.1984642 0.2551552), wk = 0.0028902 k( 212) = ( 0.5351562 0.1871878 0.2615341), wk = 0.0028902 k( 213) = ( 0.5390625 0.1759114 0.2679129), wk = 0.0028902 k( 214) = ( 0.5429688 0.1646350 0.2742918), wk = 0.0028902 k( 215) = ( 0.5468750 0.1533587 0.2806707), wk = 0.0028902 k( 216) = ( 0.5507812 0.1420823 0.2870496), wk = 0.0028902 k( 217) = ( 0.5546875 0.1308059 0.2934285), wk = 0.0028902 k( 218) = ( 0.5585938 0.1195295 0.2998073), wk = 0.0028902 k( 219) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0028902 k( 220) = ( 0.5664062 0.0969768 0.3125651), wk = 0.0028902 k( 221) = ( 0.5703125 0.0857004 0.3189440), wk = 0.0028902 k( 222) = ( 0.5742188 0.0744241 0.3253229), wk = 0.0028902 k( 223) = ( 0.5781250 0.0631477 0.3317017), wk = 0.0028902 k( 224) = ( 0.5820312 0.0518713 0.3380806), wk = 0.0028902 k( 225) = ( 0.5859375 0.0405949 0.3444595), wk = 0.0028902 k( 226) = ( 0.5898438 0.0293186 0.3508384), wk = 0.0028902 k( 227) = ( 0.5937500 0.0180422 0.3572173), wk = 0.0028902 k( 228) = ( 0.5976562 0.0067658 0.3635961), wk = 0.0028902 k( 229) = ( 0.6015625 -0.0045105 0.3699750), wk = 0.0028902 k( 230) = ( 0.6054688 -0.0157869 0.3763539), wk = 0.0028902 k( 231) = ( 0.6093750 -0.0270633 0.3827328), wk = 0.0028902 k( 232) = ( 0.6132812 -0.0383397 0.3891117), wk = 0.0028902 k( 233) = ( 0.6171875 -0.0496160 0.3954905), wk = 0.0028902 k( 234) = ( 0.6210938 -0.0608924 0.4018694), wk = 0.0028902 k( 235) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028902 k( 236) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028902 k( 237) = ( 0.6184211 -0.0683704 0.4189917), wk = 0.0028902 k( 238) = ( 0.6118421 -0.0645721 0.4297350), wk = 0.0028902 k( 239) = ( 0.6052632 -0.0607737 0.4404784), wk = 0.0028902 k( 240) = ( 0.5986842 -0.0569754 0.4512218), wk = 0.0028902 k( 241) = ( 0.5921053 -0.0531770 0.4619652), wk = 0.0028902 k( 242) = ( 0.5855263 -0.0493786 0.4727085), wk = 0.0028902 k( 243) = ( 0.5789474 -0.0455803 0.4834519), wk = 0.0028902 k( 244) = ( 0.5723684 -0.0417819 0.4941953), wk = 0.0028902 k( 245) = ( 0.5657895 -0.0379836 0.5049387), wk = 0.0028902 k( 246) = ( 0.5592105 -0.0341852 0.5156820), wk = 0.0028902 k( 247) = ( 0.5526316 -0.0303869 0.5264254), wk = 0.0028902 k( 248) = ( 0.5460526 -0.0265885 0.5371688), wk = 0.0028902 k( 249) = ( 0.5394737 -0.0227901 0.5479122), wk = 0.0028902 k( 250) = ( 0.5328947 -0.0189918 0.5586556), wk = 0.0028902 k( 251) = ( 0.5263158 -0.0151934 0.5693989), wk = 0.0028902 k( 252) = ( 0.5197368 -0.0113951 0.5801423), wk = 0.0028902 k( 253) = ( 0.5131579 -0.0075967 0.5908857), wk = 0.0028902 k( 254) = ( 0.5065789 -0.0037984 0.6016291), wk = 0.0028902 k( 255) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028902 k( 256) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028902 k( 257) = ( 0.5000000 0.0078020 0.6013387), wk = 0.0028902 k( 258) = ( 0.5000000 0.0156041 0.5903050), wk = 0.0028902 k( 259) = ( 0.5000000 0.0234061 0.5792712), wk = 0.0028902 k( 260) = ( 0.5000000 0.0312081 0.5682375), wk = 0.0028902 k( 261) = ( 0.5000000 0.0390101 0.5572038), wk = 0.0028902 k( 262) = ( 0.5000000 0.0468122 0.5461700), wk = 0.0028902 k( 263) = ( 0.5000000 0.0546142 0.5351363), wk = 0.0028902 k( 264) = ( 0.5000000 0.0624162 0.5241025), wk = 0.0028902 k( 265) = ( 0.5000000 0.0702183 0.5130688), wk = 0.0028902 k( 266) = ( 0.5000000 0.0780203 0.5020351), wk = 0.0028902 k( 267) = ( 0.5000000 0.0858223 0.4910013), wk = 0.0028902 k( 268) = ( 0.5000000 0.0936244 0.4799676), wk = 0.0028902 k( 269) = ( 0.5000000 0.1014264 0.4689338), wk = 0.0028902 k( 270) = ( 0.5000000 0.1092284 0.4579001), wk = 0.0028902 k( 271) = ( 0.5000000 0.1170305 0.4468664), wk = 0.0028902 k( 272) = ( 0.5000000 0.1248325 0.4358326), wk = 0.0028902 k( 273) = ( 0.5000000 0.1326345 0.4247989), wk = 0.0028902 k( 274) = ( 0.5000000 0.1404366 0.4137652), wk = 0.0028902 k( 275) = ( 0.5000000 0.1482386 0.4027314), wk = 0.0028902 k( 276) = ( 0.5000000 0.1560406 0.3916977), wk = 0.0028902 k( 277) = ( 0.5000000 0.1638426 0.3806639), wk = 0.0028902 k( 278) = ( 0.5000000 0.1716447 0.3696302), wk = 0.0028902 k( 279) = ( 0.5000000 0.1794467 0.3585965), wk = 0.0028902 k( 280) = ( 0.5000000 0.1872487 0.3475627), wk = 0.0028902 k( 281) = ( 0.5000000 0.1950508 0.3365290), wk = 0.0028902 k( 282) = ( 0.5000000 0.2028528 0.3254953), wk = 0.0028902 k( 283) = ( 0.5000000 0.2106548 0.3144615), wk = 0.0028902 k( 284) = ( 0.5000000 0.2184569 0.3034278), wk = 0.0028902 k( 285) = ( 0.5000000 0.2262589 0.2923940), wk = 0.0028902 k( 286) = ( 0.5000000 0.2340609 0.2813603), wk = 0.0028902 k( 287) = ( 0.5000000 0.2418630 0.2703266), wk = 0.0028902 k( 288) = ( 0.5000000 0.2496650 0.2592928), wk = 0.0028902 k( 289) = ( 0.5000000 0.2574670 0.2482591), wk = 0.0028902 k( 290) = ( 0.5000000 0.2652690 0.2372254), wk = 0.0028902 k( 291) = ( 0.5000000 0.2730711 0.2261916), wk = 0.0028902 k( 292) = ( 0.5000000 0.2808731 0.2151579), wk = 0.0028902 k( 293) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028902 k( 294) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028902 k( 295) = ( 0.4960938 0.2864199 0.2168819), wk = 0.0028902 k( 296) = ( 0.4921875 0.2841646 0.2296397), wk = 0.0028902 k( 297) = ( 0.4882812 0.2819093 0.2423974), wk = 0.0028902 k( 298) = ( 0.4843750 0.2796540 0.2551552), wk = 0.0028902 k( 299) = ( 0.4804688 0.2773988 0.2679129), wk = 0.0028902 k( 300) = ( 0.4765625 0.2751435 0.2806707), wk = 0.0028902 k( 301) = ( 0.4726562 0.2728882 0.2934285), wk = 0.0028902 k( 302) = ( 0.4687500 0.2706329 0.3061862), wk = 0.0028902 k( 303) = ( 0.4648438 0.2683777 0.3189440), wk = 0.0028902 k( 304) = ( 0.4609375 0.2661224 0.3317017), wk = 0.0028902 k( 305) = ( 0.4570312 0.2638671 0.3444595), wk = 0.0028902 k( 306) = ( 0.4531250 0.2616118 0.3572173), wk = 0.0028902 k( 307) = ( 0.4492188 0.2593566 0.3699750), wk = 0.0028902 k( 308) = ( 0.4453125 0.2571013 0.3827328), wk = 0.0028902 k( 309) = ( 0.4414062 0.2548460 0.3954905), wk = 0.0028902 k( 310) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0028902 k( 311) = ( 0.4335938 0.2503355 0.4210060), wk = 0.0028902 k( 312) = ( 0.4296875 0.2480802 0.4337638), wk = 0.0028902 k( 313) = ( 0.4257812 0.2458249 0.4465216), wk = 0.0028902 k( 314) = ( 0.4218750 0.2435696 0.4592793), wk = 0.0028902 k( 315) = ( 0.4179688 0.2413144 0.4720371), wk = 0.0028902 k( 316) = ( 0.4140625 0.2390591 0.4847948), wk = 0.0028902 k( 317) = ( 0.4101562 0.2368038 0.4975526), wk = 0.0028902 k( 318) = ( 0.4062500 0.2345485 0.5103104), wk = 0.0028902 k( 319) = ( 0.4023438 0.2322933 0.5230681), wk = 0.0028902 k( 320) = ( 0.3984375 0.2300380 0.5358259), wk = 0.0028902 k( 321) = ( 0.3945312 0.2277827 0.5485836), wk = 0.0028902 k( 322) = ( 0.3906250 0.2255274 0.5613414), wk = 0.0028902 k( 323) = ( 0.3867188 0.2232722 0.5740992), wk = 0.0028902 k( 324) = ( 0.3828125 0.2210169 0.5868569), wk = 0.0028902 k( 325) = ( 0.3789062 0.2187616 0.5996147), wk = 0.0028902 k( 326) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028902 k( 327) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028902 k( 328) = ( 0.6184211 -0.0835638 0.4082483), wk = 0.0028902 k( 329) = ( 0.6118421 -0.0949589 0.4082483), wk = 0.0028902 k( 330) = ( 0.6052632 -0.1063540 0.4082483), wk = 0.0028902 k( 331) = ( 0.5986842 -0.1177491 0.4082483), wk = 0.0028902 k( 332) = ( 0.5921053 -0.1291441 0.4082483), wk = 0.0028902 k( 333) = ( 0.5855263 -0.1405392 0.4082483), wk = 0.0028902 k( 334) = ( 0.5789474 -0.1519343 0.4082483), wk = 0.0028902 k( 335) = ( 0.5723684 -0.1633294 0.4082483), wk = 0.0028902 k( 336) = ( 0.5657895 -0.1747244 0.4082483), wk = 0.0028902 k( 337) = ( 0.5592105 -0.1861195 0.4082483), wk = 0.0028902 k( 338) = ( 0.5526316 -0.1975146 0.4082483), wk = 0.0028902 k( 339) = ( 0.5460526 -0.2089096 0.4082483), wk = 0.0028902 k( 340) = ( 0.5394737 -0.2203047 0.4082483), wk = 0.0028902 k( 341) = ( 0.5328947 -0.2316998 0.4082483), wk = 0.0028902 k( 342) = ( 0.5263158 -0.2430948 0.4082483), wk = 0.0028902 k( 343) = ( 0.5197368 -0.2544899 0.4082483), wk = 0.0028902 k( 344) = ( 0.5131579 -0.2658850 0.4082483), wk = 0.0028902 k( 345) = ( 0.5065789 -0.2772801 0.4082483), wk = 0.0028902 k( 346) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028902 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 2) = ( 0.0096154 -0.0000000 0.0096154), wk = 0.0028902 k( 3) = ( 0.0192308 -0.0000000 0.0192308), wk = 0.0028902 k( 4) = ( 0.0288462 -0.0000000 0.0288462), wk = 0.0028902 k( 5) = ( 0.0384615 -0.0000000 0.0384615), wk = 0.0028902 k( 6) = ( 0.0480769 -0.0000000 0.0480769), wk = 0.0028902 k( 7) = ( 0.0576923 -0.0000000 0.0576923), wk = 0.0028902 k( 8) = ( 0.0673077 0.0000000 0.0673077), wk = 0.0028902 k( 9) = ( 0.0769231 -0.0000000 0.0769231), wk = 0.0028902 k( 10) = ( 0.0865385 -0.0000000 0.0865385), wk = 0.0028902 k( 11) = ( 0.0961538 -0.0000000 0.0961539), wk = 0.0028902 k( 12) = ( 0.1057692 -0.0000000 0.1057692), wk = 0.0028902 k( 13) = ( 0.1153846 -0.0000000 0.1153846), wk = 0.0028902 k( 14) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0028902 k( 15) = ( 0.1346154 0.0000000 0.1346154), wk = 0.0028902 k( 16) = ( 0.1442308 -0.0000000 0.1442308), wk = 0.0028902 k( 17) = ( 0.1538461 -0.0000000 0.1538462), wk = 0.0028902 k( 18) = ( 0.1634615 -0.0000000 0.1634615), wk = 0.0028902 k( 19) = ( 0.1730769 -0.0000000 0.1730769), wk = 0.0028902 k( 20) = ( 0.1826923 0.0000000 0.1826923), wk = 0.0028902 k( 21) = ( 0.1923077 -0.0000000 0.1923077), wk = 0.0028902 k( 22) = ( 0.2019231 -0.0000000 0.2019231), wk = 0.0028902 k( 23) = ( 0.2115385 -0.0000000 0.2115385), wk = 0.0028902 k( 24) = ( 0.2211539 -0.0000000 0.2211539), wk = 0.0028902 k( 25) = ( 0.2307692 -0.0000000 0.2307692), wk = 0.0028902 k( 26) = ( 0.2403846 -0.0000000 0.2403846), wk = 0.0028902 k( 27) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0028902 k( 28) = ( 0.2596154 -0.0000000 0.2596154), wk = 0.0028902 k( 29) = ( 0.2692308 -0.0000000 0.2692308), wk = 0.0028902 k( 30) = ( 0.2788462 0.0000000 0.2788462), wk = 0.0028902 k( 31) = ( 0.2884615 -0.0000000 0.2884615), wk = 0.0028902 k( 32) = ( 0.2980769 0.0000000 0.2980769), wk = 0.0028902 k( 33) = ( 0.3076923 0.0000000 0.3076923), wk = 0.0028902 k( 34) = ( 0.3173077 -0.0000000 0.3173077), wk = 0.0028902 k( 35) = ( 0.3269231 -0.0000000 0.3269231), wk = 0.0028902 k( 36) = ( 0.3365385 0.0000000 0.3365385), wk = 0.0028902 k( 37) = ( 0.3461538 -0.0000000 0.3461539), wk = 0.0028902 k( 38) = ( 0.3557692 -0.0000000 0.3557692), wk = 0.0028902 k( 39) = ( 0.3653846 0.0000000 0.3653846), wk = 0.0028902 k( 40) = ( 0.3750000 -0.0000000 0.3750000), wk = 0.0028902 k( 41) = ( 0.3846154 -0.0000000 0.3846154), wk = 0.0028902 k( 42) = ( 0.3942308 -0.0000000 0.3942308), wk = 0.0028902 k( 43) = ( 0.4038462 -0.0000000 0.4038462), wk = 0.0028902 k( 44) = ( 0.4134615 -0.0000000 0.4134615), wk = 0.0028902 k( 45) = ( 0.4230769 -0.0000000 0.4230769), wk = 0.0028902 k( 46) = ( 0.4326923 -0.0000000 0.4326923), wk = 0.0028902 k( 47) = ( 0.4423077 0.0000000 0.4423077), wk = 0.0028902 k( 48) = ( 0.4519231 0.0000000 0.4519231), wk = 0.0028902 k( 49) = ( 0.4615385 -0.0000000 0.4615385), wk = 0.0028902 k( 50) = ( 0.4711538 -0.0000000 0.4711539), wk = 0.0028902 k( 51) = ( 0.4807692 -0.0000000 0.4807692), wk = 0.0028902 k( 52) = ( 0.4903846 -0.0000000 0.4903846), wk = 0.0028902 k( 53) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028902 k( 54) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028902 k( 55) = ( 0.5000000 0.0096154 0.5096154), wk = 0.0028902 k( 56) = ( 0.5000000 0.0192308 0.5192308), wk = 0.0028902 k( 57) = ( 0.5000000 0.0288461 0.5288462), wk = 0.0028902 k( 58) = ( 0.5000000 0.0384615 0.5384615), wk = 0.0028902 k( 59) = ( 0.5000000 0.0480769 0.5480769), wk = 0.0028902 k( 60) = ( 0.5000000 0.0576923 0.5576923), wk = 0.0028902 k( 61) = ( 0.5000000 0.0673077 0.5673077), wk = 0.0028902 k( 62) = ( 0.5000000 0.0769231 0.5769231), wk = 0.0028902 k( 63) = ( 0.5000000 0.0865385 0.5865385), wk = 0.0028902 k( 64) = ( 0.5000000 0.0961538 0.5961539), wk = 0.0028902 k( 65) = ( 0.5000000 0.1057692 0.6057692), wk = 0.0028902 k( 66) = ( 0.5000000 0.1153846 0.6153846), wk = 0.0028902 k( 67) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0028902 k( 68) = ( 0.5000000 0.1346154 0.6346154), wk = 0.0028902 k( 69) = ( 0.5000000 0.1442308 0.6442308), wk = 0.0028902 k( 70) = ( 0.5000000 0.1538461 0.6538462), wk = 0.0028902 k( 71) = ( 0.5000000 0.1634615 0.6634615), wk = 0.0028902 k( 72) = ( 0.5000000 0.1730769 0.6730769), wk = 0.0028902 k( 73) = ( 0.5000000 0.1826923 0.6826923), wk = 0.0028902 k( 74) = ( 0.5000000 0.1923077 0.6923077), wk = 0.0028902 k( 75) = ( 0.5000000 0.2019231 0.7019231), wk = 0.0028902 k( 76) = ( 0.5000000 0.2115385 0.7115385), wk = 0.0028902 k( 77) = ( 0.5000000 0.2211539 0.7211539), wk = 0.0028902 k( 78) = ( 0.5000000 0.2307692 0.7307692), wk = 0.0028902 k( 79) = ( 0.5000000 0.2403846 0.7403846), wk = 0.0028902 k( 80) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028902 k( 81) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028902 k( 82) = ( 0.4934211 0.2565789 0.7500000), wk = 0.0028902 k( 83) = ( 0.4868421 0.2631579 0.7500000), wk = 0.0028902 k( 84) = ( 0.4802632 0.2697368 0.7500000), wk = 0.0028902 k( 85) = ( 0.4736842 0.2763158 0.7500000), wk = 0.0028902 k( 86) = ( 0.4671053 0.2828947 0.7500000), wk = 0.0028902 k( 87) = ( 0.4605263 0.2894737 0.7500000), wk = 0.0028902 k( 88) = ( 0.4539474 0.2960526 0.7500000), wk = 0.0028902 k( 89) = ( 0.4473684 0.3026316 0.7500000), wk = 0.0028902 k( 90) = ( 0.4407895 0.3092105 0.7500000), wk = 0.0028902 k( 91) = ( 0.4342105 0.3157895 0.7500000), wk = 0.0028902 k( 92) = ( 0.4276316 0.3223684 0.7500000), wk = 0.0028902 k( 93) = ( 0.4210526 0.3289474 0.7500000), wk = 0.0028902 k( 94) = ( 0.4144737 0.3355263 0.7500000), wk = 0.0028902 k( 95) = ( 0.4078947 0.3421053 0.7500000), wk = 0.0028902 k( 96) = ( 0.4013158 0.3486842 0.7500000), wk = 0.0028902 k( 97) = ( 0.3947368 0.3552632 0.7500000), wk = 0.0028902 k( 98) = ( 0.3881579 0.3618421 0.7500000), wk = 0.0028902 k( 99) = ( 0.3815789 0.3684211 0.7500000), wk = 0.0028902 k( 100) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028902 k( 101) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028902 k( 102) = ( 0.3681818 0.3681818 0.7363636), wk = 0.0028902 k( 103) = ( 0.3613636 0.3613636 0.7227273), wk = 0.0028902 k( 104) = ( 0.3545454 0.3545454 0.7090909), wk = 0.0028902 k( 105) = ( 0.3477273 0.3477273 0.6954546), wk = 0.0028902 k( 106) = ( 0.3409091 0.3409091 0.6818182), wk = 0.0028902 k( 107) = ( 0.3340909 0.3340909 0.6681818), wk = 0.0028902 k( 108) = ( 0.3272727 0.3272727 0.6545455), wk = 0.0028902 k( 109) = ( 0.3204546 0.3204546 0.6409091), wk = 0.0028902 k( 110) = ( 0.3136364 0.3136364 0.6272727), wk = 0.0028902 k( 111) = ( 0.3068182 0.3068182 0.6136364), wk = 0.0028902 k( 112) = ( 0.3000000 0.3000000 0.6000000), wk = 0.0028902 k( 113) = ( 0.2931818 0.2931818 0.5863636), wk = 0.0028902 k( 114) = ( 0.2863636 0.2863636 0.5727273), wk = 0.0028902 k( 115) = ( 0.2795454 0.2795454 0.5590909), wk = 0.0028902 k( 116) = ( 0.2727273 0.2727273 0.5454545), wk = 0.0028902 k( 117) = ( 0.2659091 0.2659091 0.5318182), wk = 0.0028902 k( 118) = ( 0.2590909 0.2590909 0.5181818), wk = 0.0028902 k( 119) = ( 0.2522727 0.2522727 0.5045454), wk = 0.0028902 k( 120) = ( 0.2454545 0.2454545 0.4909091), wk = 0.0028902 k( 121) = ( 0.2386364 0.2386364 0.4772727), wk = 0.0028902 k( 122) = ( 0.2318182 0.2318182 0.4636364), wk = 0.0028902 k( 123) = ( 0.2250000 0.2250000 0.4500000), wk = 0.0028902 k( 124) = ( 0.2181818 0.2181818 0.4363636), wk = 0.0028902 k( 125) = ( 0.2113636 0.2113636 0.4227273), wk = 0.0028902 k( 126) = ( 0.2045454 0.2045455 0.4090909), wk = 0.0028902 k( 127) = ( 0.1977273 0.1977273 0.3954546), wk = 0.0028902 k( 128) = ( 0.1909091 0.1909091 0.3818182), wk = 0.0028902 k( 129) = ( 0.1840909 0.1840909 0.3681818), wk = 0.0028902 k( 130) = ( 0.1772727 0.1772727 0.3545455), 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 0.5195312), 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 0.5351562), wk = 0.0028902 k( 213) = ( 0.5390625 0.4218750 0.5390625), wk = 0.0028902 k( 214) = ( 0.5429688 0.4140625 0.5429688), wk = 0.0028902 k( 215) = ( 0.5468750 0.4062500 0.5468750), wk = 0.0028902 k( 216) = ( 0.5507812 0.3984375 0.5507812), wk = 0.0028902 k( 217) = ( 0.5546875 0.3906250 0.5546875), wk = 0.0028902 k( 218) = ( 0.5585938 0.3828125 0.5585938), wk = 0.0028902 k( 219) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0028902 k( 220) = ( 0.5664062 0.3671875 0.5664062), 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 0.5976562), wk = 0.0028902 k( 229) = ( 0.6015625 0.2968750 0.6015625), wk = 0.0028902 k( 230) = ( 0.6054688 0.2890625 0.6054688), wk = 0.0028902 k( 231) = ( 0.6093750 0.2812500 0.6093750), wk = 0.0028902 k( 232) = ( 0.6132812 0.2734375 0.6132813), wk = 0.0028902 k( 233) = ( 0.6171875 0.2656250 0.6171875), wk = 0.0028902 k( 234) = ( 0.6210938 0.2578125 0.6210938), wk = 0.0028902 k( 235) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028902 k( 236) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028902 k( 237) = ( 0.6184211 0.2500000 0.6315790), wk = 0.0028902 k( 238) = ( 0.6118421 0.2500000 0.6381579), wk = 0.0028902 k( 239) = ( 0.6052632 0.2500000 0.6447368), wk = 0.0028902 k( 240) = ( 0.5986842 0.2500000 0.6513158), wk = 0.0028902 k( 241) = ( 0.5921053 0.2500000 0.6578947), wk = 0.0028902 k( 242) = ( 0.5855263 0.2500000 0.6644737), wk = 0.0028902 k( 243) = ( 0.5789474 0.2500000 0.6710526), wk = 0.0028902 k( 244) = ( 0.5723684 0.2500000 0.6776316), wk = 0.0028902 k( 245) = ( 0.5657895 0.2500000 0.6842105), wk = 0.0028902 k( 246) = ( 0.5592105 0.2500000 0.6907895), wk = 0.0028902 k( 247) = ( 0.5526316 0.2500000 0.6973684), wk = 0.0028902 k( 248) = ( 0.5460526 0.2500000 0.7039474), wk = 0.0028902 k( 249) = ( 0.5394737 0.2500000 0.7105263), wk = 0.0028902 k( 250) = ( 0.5328947 0.2500000 0.7171053), wk = 0.0028902 k( 251) = ( 0.5263158 0.2500000 0.7236842), wk = 0.0028902 k( 252) = ( 0.5197368 0.2500000 0.7302632), wk = 0.0028902 k( 253) = ( 0.5131579 0.2500000 0.7368421), wk = 0.0028902 k( 254) = ( 0.5065789 0.2500000 0.7434211), wk = 0.0028902 k( 255) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028902 k( 256) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028902 k( 257) = ( 0.5000000 0.2567568 0.7432432), wk = 0.0028902 k( 258) = ( 0.5000000 0.2635135 0.7364865), wk = 0.0028902 k( 259) = ( 0.5000000 0.2702703 0.7297297), wk = 0.0028902 k( 260) = ( 0.5000000 0.2770270 0.7229730), wk = 0.0028902 k( 261) = ( 0.5000000 0.2837838 0.7162162), wk = 0.0028902 k( 262) = ( 0.5000000 0.2905405 0.7094595), wk = 0.0028902 k( 263) = ( 0.5000000 0.2972973 0.7027027), wk = 0.0028902 k( 264) = ( 0.5000000 0.3040541 0.6959460), wk = 0.0028902 k( 265) = ( 0.5000000 0.3108108 0.6891892), wk = 0.0028902 k( 266) = ( 0.5000000 0.3175676 0.6824324), wk = 0.0028902 k( 267) = ( 0.5000000 0.3243243 0.6756757), wk = 0.0028902 k( 268) = ( 0.5000000 0.3310811 0.6689189), wk = 0.0028902 k( 269) = ( 0.5000000 0.3378378 0.6621622), wk = 0.0028902 k( 270) = ( 0.5000000 0.3445946 0.6554054), wk = 0.0028902 k( 271) = ( 0.5000000 0.3513514 0.6486487), wk = 0.0028902 k( 272) = ( 0.5000000 0.3581081 0.6418919), wk = 0.0028902 k( 273) = ( 0.5000000 0.3648649 0.6351351), wk = 0.0028902 k( 274) = ( 0.5000000 0.3716216 0.6283784), wk = 0.0028902 k( 275) = ( 0.5000000 0.3783784 0.6216216), wk = 0.0028902 k( 276) = ( 0.5000000 0.3851351 0.6148649), wk = 0.0028902 k( 277) = ( 0.5000000 0.3918919 0.6081081), wk = 0.0028902 k( 278) = ( 0.5000000 0.3986486 0.6013513), 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: 29123 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 15353 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 116, 26) NL pseudopotentials 0.06 Mb ( 58, 68) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 811) G-vector shells 0.00 Mb ( 264) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.18 Mb ( 116, 104) Each subspace H/S matrix 0.01 Mb ( 26, 26) Each matrix 0.05 Mb ( 68, 2, 26) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./ZnTe.save/charge-density.dat Starting wfc are 26 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.1 secs Computing kpt #: 2 total cpu time spent up to now is 2.2 secs Computing kpt #: 3 total cpu time spent up to now is 2.4 secs Computing kpt #: 4 total cpu time spent up to now is 2.5 secs Computing kpt #: 5 total cpu time spent up to now is 2.7 secs Computing kpt #: 6 total cpu time spent up to now is 2.8 secs Computing kpt #: 7 total cpu time spent up to now is 3.0 secs Computing kpt #: 8 total cpu time spent up to now is 3.1 secs Computing kpt #: 9 total cpu time spent up to now is 3.3 secs Computing kpt #: 10 total cpu time spent up to now is 3.4 secs Computing kpt #: 11 total cpu time spent up to now is 3.6 secs Computing kpt #: 12 total cpu time spent up to now is 3.7 secs Computing kpt #: 13 total cpu time spent up to now is 3.9 secs Computing kpt #: 14 total cpu time spent up to now is 4.0 secs Computing kpt #: 15 total cpu time spent up to now is 4.1 secs Computing kpt #: 16 total cpu time spent up to now is 4.3 secs Computing kpt #: 17 total cpu time spent up to now is 4.4 secs Computing kpt #: 18 total cpu time spent up to now is 4.5 secs Computing kpt #: 19 total cpu time spent up to now is 4.6 secs Computing kpt #: 20 total cpu time spent up to now is 4.7 secs Computing kpt #: 21 total cpu time spent up to now is 4.8 secs Computing kpt #: 22 total cpu time spent up to now is 4.9 secs Computing kpt #: 23 total cpu time spent up to now is 5.0 secs Computing kpt #: 24 total cpu time spent up to now is 5.1 secs Computing kpt #: 25 total cpu time spent up to now is 5.2 secs Computing kpt #: 26 total cpu time spent up to now is 5.3 secs Computing kpt #: 27 total cpu time spent up to now is 5.5 secs Computing kpt #: 28 total cpu time spent up to now is 5.6 secs Computing kpt #: 29 total cpu time spent up to now is 5.7 secs Computing kpt #: 30 total cpu time spent up to now is 5.8 secs Computing kpt #: 31 total cpu time spent up to now is 6.1 secs Computing kpt #: 32 total cpu time spent up to now is 6.2 secs Computing 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Computing kpt #: 311 total cpu time spent up to now is 34.2 secs Computing kpt #: 312 total cpu time spent up to now is 34.3 secs Computing kpt #: 313 total cpu time spent up to now is 34.4 secs Computing kpt #: 314 total cpu time spent up to now is 34.5 secs Computing kpt #: 315 total cpu time spent up to now is 34.7 secs Computing kpt #: 316 total cpu time spent up to now is 34.8 secs Computing kpt #: 317 total cpu time spent up to now is 34.9 secs Computing kpt #: 318 total cpu time spent up to now is 35.0 secs Computing kpt #: 319 total cpu time spent up to now is 35.1 secs Computing kpt #: 320 total cpu time spent up to now is 35.3 secs Computing kpt #: 321 total cpu time spent up to now is 35.4 secs Computing kpt #: 322 total cpu time spent up to now is 35.5 secs Computing kpt #: 323 total cpu time spent up to now is 35.6 secs Computing kpt #: 324 total cpu time spent up to now is 35.7 secs Computing kpt #: 325 total cpu time spent up to now is 35.8 secs Computing kpt #: 326 total cpu time spent up to now is 36.2 secs Computing kpt #: 327 total cpu time spent up to now is 36.3 secs Computing kpt #: 328 total cpu time spent up to now is 36.4 secs Computing kpt #: 329 total cpu time spent up to now is 36.5 secs Computing kpt #: 330 total cpu time spent up to now is 36.6 secs Computing kpt #: 331 total cpu time spent up to now is 36.7 secs Computing kpt #: 332 total cpu time spent up to now is 36.8 secs Computing kpt #: 333 total cpu time spent up to now is 37.0 secs Computing kpt #: 334 total cpu time spent up to now is 37.1 secs Computing kpt #: 335 total cpu time spent up to now is 37.2 secs Computing kpt #: 336 total cpu time spent up to now is 37.3 secs Computing kpt #: 337 total cpu time spent up to now is 37.4 secs Computing kpt #: 338 total cpu time spent up to now is 37.5 secs Computing kpt #: 339 total cpu time spent up to now is 37.6 secs Computing kpt #: 340 total cpu time spent up to now is 37.7 secs Computing kpt #: 341 total cpu time spent up to now is 37.8 secs Computing kpt #: 342 total cpu time spent up to now is 37.8 secs Computing kpt #: 343 total cpu time spent up to now is 37.9 secs Computing kpt #: 344 total cpu time spent up to now is 38.0 secs Computing kpt #: 345 total cpu time spent up to now is 38.1 secs Computing kpt #: 346 total cpu time spent up to now is 38.2 secs ethr = 5.56E-08, avg # of iterations = 14.6 total cpu time spent up to now is 38.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1917 PWs) bands (ev): -5.8330 -5.8330 -1.2209 -1.2209 -1.2209 -1.2209 -0.8723 -0.8723 -0.8723 -0.8723 -0.8579 -0.8579 4.7240 4.7240 5.4664 5.4664 5.6261 5.6261 5.6261 5.6261 12.5799 12.5799 12.6099 12.6099 12.6099 12.6099 k = 0.0096-0.0056 0.0079 ( 1917 PWs) bands (ev): -5.8320 -5.8320 -1.2209 -1.2209 -1.2208 -1.2208 -0.8724 -0.8724 -0.8723 -0.8723 -0.8579 -0.8579 4.7144 4.7144 5.4082 5.4082 5.6240 5.6240 5.6945 5.6945 12.5364 12.5364 12.6017 12.6017 12.6438 12.6438 k = 0.0192-0.0111 0.0157 ( 1917 PWs) bands (ev): -5.8291 -5.8291 -1.2211 -1.2211 -1.2208 -1.2208 -0.8728 -0.8728 -0.8723 -0.8723 -0.8579 -0.8579 4.6855 4.6855 5.3184 5.3184 5.6179 5.6179 5.8154 5.8154 12.4765 12.4765 12.5782 12.5782 12.6289 12.6289 k = 0.0288-0.0167 0.0236 ( 1917 PWs) bands (ev): -5.8242 -5.8242 -1.2214 -1.2214 -1.2208 -1.2208 -0.8734 -0.8734 -0.8722 -0.8722 -0.8578 -0.8578 4.6372 4.6372 5.2362 5.2362 5.6076 5.6076 5.9494 5.9494 12.4056 12.4056 12.5405 12.5405 12.5963 12.5963 k = 0.0385-0.0222 0.0314 ( 1917 PWs) bands (ev): -5.8174 -5.8174 -1.2218 -1.2218 -1.2208 -1.2208 -0.8742 -0.8742 -0.8722 -0.8722 -0.8577 -0.8577 4.5708 4.5708 5.1666 5.1666 5.5934 5.5934 6.0902 6.0902 12.3044 12.3044 12.4885 12.4885 12.5110 12.5110 k = 0.0481-0.0278 0.0393 ( 1917 PWs) bands (ev): -5.8087 -5.8087 -1.2224 -1.2224 -1.2207 -1.2207 -0.8752 -0.8752 -0.8721 -0.8721 -0.8576 -0.8576 4.4894 4.4894 5.1086 5.1086 5.5754 5.5754 6.2354 6.2354 12.1569 12.1569 12.4242 12.4242 12.4445 12.4445 k = 0.0577-0.0333 0.0471 ( 1925 PWs) bands (ev): -5.7981 -5.7981 -1.2231 -1.2231 -1.2207 -1.2207 -0.8765 -0.8765 -0.8720 -0.8720 -0.8575 -0.8575 4.3970 4.3970 5.0594 5.0594 5.5536 5.5536 6.3835 6.3835 11.9756 11.9756 12.3503 12.3503 12.3990 12.3990 k = 0.0673-0.0389 0.0550 ( 1917 PWs) bands (ev): -5.7856 -5.7856 -1.2238 -1.2238 -1.2206 -1.2206 -0.8778 -0.8778 -0.8720 -0.8720 -0.8573 -0.8573 4.2976 4.2976 5.0158 5.0158 5.5282 5.5282 6.5333 6.5333 11.7769 11.7769 12.2695 12.2695 12.3664 12.3664 k = 0.0769-0.0444 0.0628 ( 1917 PWs) bands (ev): -5.7713 -5.7713 -1.2246 -1.2246 -1.2206 -1.2206 -0.8793 -0.8793 -0.8719 -0.8719 -0.8571 -0.8571 4.1943 4.1943 4.9752 4.9752 5.4995 5.4995 6.6837 6.6837 11.5704 11.5704 12.1839 12.1839 12.3424 12.3424 k = 0.0865-0.0500 0.0707 ( 1925 PWs) bands (ev): -5.7552 -5.7552 -1.2256 -1.2256 -1.2206 -1.2206 -0.8810 -0.8810 -0.8718 -0.8718 -0.8568 -0.8568 4.0893 4.0893 4.9360 4.9360 5.4677 5.4677 6.8333 6.8333 11.3617 11.3617 12.0950 12.0950 12.3254 12.3254 k = 0.0962-0.0555 0.0785 ( 1925 PWs) bands (ev): -5.7373 -5.7373 -1.2266 -1.2266 -1.2205 -1.2205 -0.8828 -0.8828 -0.8718 -0.8718 -0.8564 -0.8564 3.9841 3.9841 4.8971 4.8971 5.4329 5.4329 6.9806 6.9806 11.1549 11.1549 12.0040 12.0040 12.3145 12.3145 k = 0.1058-0.0611 0.0864 ( 1921 PWs) bands (ev): -5.7176 -5.7176 -1.2277 -1.2277 -1.2204 -1.2204 -0.8846 -0.8846 -0.8717 -0.8717 -0.8560 -0.8560 3.8797 3.8797 4.8577 4.8577 5.3954 5.3954 7.1236 7.1236 10.9538 10.9538 11.9118 11.9118 12.3092 12.3092 k = 0.1154-0.0666 0.0942 ( 1929 PWs) bands (ev): -5.6963 -5.6963 -1.2289 -1.2289 -1.2203 -1.2203 -0.8866 -0.8866 -0.8716 -0.8716 -0.8556 -0.8556 3.7768 3.7768 4.8174 4.8174 5.3555 5.3555 7.2597 7.2597 10.7621 10.7621 11.8192 11.8192 12.3093 12.3093 k = 0.1250-0.0722 0.1021 ( 1928 PWs) bands (ev): -5.6734 -5.6734 -1.2301 -1.2301 -1.2202 -1.2202 -0.8885 -0.8885 -0.8716 -0.8716 -0.8550 -0.8550 3.6759 3.6759 4.7762 4.7762 5.3133 5.3133 7.3855 7.3855 10.5839 10.5839 11.7267 11.7267 12.3145 12.3145 k = 0.1346-0.0777 0.1099 ( 1936 PWs) bands (ev): -5.6488 -5.6488 -1.2313 -1.2313 -1.2201 -1.2201 -0.8904 -0.8904 -0.8716 -0.8716 -0.8544 -0.8544 3.5772 3.5772 4.7339 4.7339 5.2692 5.2692 7.4965 7.4965 10.4244 10.4244 11.6349 11.6349 12.3245 12.3245 k = 0.1442-0.0833 0.1178 ( 1944 PWs) bands (ev): -5.6228 -5.6228 -1.2325 -1.2325 -1.2200 -1.2200 -0.8922 -0.8922 -0.8717 -0.8717 -0.8537 -0.8537 3.4812 3.4812 4.6905 4.6905 5.2233 5.2233 7.5872 7.5872 10.2896 10.2896 11.5440 11.5440 12.3392 12.3392 k = 0.1538-0.0888 0.1256 ( 1936 PWs) bands (ev): -5.5954 -5.5954 -1.2335 -1.2335 -1.2199 -1.2199 -0.8939 -0.8939 -0.8717 -0.8717 -0.8529 -0.8529 3.3878 3.3878 4.6462 4.6462 5.1760 5.1760 7.6511 7.6511 10.1862 10.1862 11.4543 11.4543 12.3584 12.3584 k = 0.1635-0.0944 0.1335 ( 1936 PWs) bands (ev): -5.5666 -5.5666 -1.2345 -1.2345 -1.2197 -1.2197 -0.8955 -0.8955 -0.8717 -0.8717 -0.8520 -0.8520 3.2972 3.2972 4.6010 4.6010 5.1274 5.1274 7.6820 7.6820 10.1208 10.1208 11.3662 11.3662 12.3820 12.3820 k = 0.1731-0.0999 0.1413 ( 1936 PWs) bands (ev): -5.5365 -5.5365 -1.2354 -1.2354 -1.2196 -1.2196 -0.8969 -0.8969 -0.8718 -0.8718 -0.8511 -0.8511 3.2094 3.2094 4.5550 4.5550 5.0778 5.0778 7.6756 7.6756 10.0978 10.0978 11.2798 11.2798 12.4097 12.4097 k = 0.1827-0.1055 0.1492 ( 1928 PWs) bands (ev): -5.5052 -5.5052 -1.2361 -1.2361 -1.2194 -1.2194 -0.8980 -0.8980 -0.8719 -0.8719 -0.8500 -0.8500 3.1245 3.1245 4.5085 4.5085 5.0275 5.0275 7.6311 7.6311 10.1181 10.1181 11.1952 11.1952 12.4414 12.4414 k = 0.1923-0.1110 0.1570 ( 1936 PWs) bands (ev): -5.4728 -5.4728 -1.2366 -1.2366 -1.2193 -1.2193 -0.8989 -0.8989 -0.8720 -0.8720 -0.8489 -0.8489 3.0425 3.0425 4.4615 4.4615 4.9765 4.9765 7.5519 7.5519 10.1786 10.1786 11.1126 11.1126 12.4770 12.4770 k = 0.2019-0.1166 0.1649 ( 1936 PWs) bands (ev): -5.4395 -5.4395 -1.2368 -1.2368 -1.2192 -1.2192 -0.8996 -0.8996 -0.8722 -0.8722 -0.8477 -0.8477 2.9634 2.9634 4.4142 4.4142 4.9253 4.9253 7.4436 7.4436 10.2736 10.2736 11.0320 11.0320 12.5163 12.5163 k = 0.2115-0.1221 0.1727 ( 1936 PWs) bands (ev): -5.4052 -5.4052 -1.2367 -1.2367 -1.2190 -1.2190 -0.8998 -0.8998 -0.8723 -0.8723 -0.8464 -0.8464 2.8871 2.8871 4.3667 4.3667 4.8738 4.8738 7.3130 7.3130 10.3964 10.3964 10.9537 10.9537 12.5591 12.5591 k = 0.2212-0.1277 0.1806 ( 1940 PWs) bands (ev): -5.3702 -5.3702 -1.2362 -1.2362 -1.2189 -1.2189 -0.8998 -0.8998 -0.8725 -0.8725 -0.8451 -0.8451 2.8137 2.8137 4.3193 4.3193 4.8224 4.8224 7.1662 7.1662 10.5410 10.5410 10.8776 10.8776 12.6053 12.6053 k = 0.2308-0.1332 0.1884 ( 1936 PWs) bands (ev): -5.3346 -5.3346 -1.2352 -1.2352 -1.2187 -1.2187 -0.8992 -0.8992 -0.8726 -0.8726 -0.8437 -0.8437 2.7430 2.7430 4.2721 4.2721 4.7712 4.7712 7.0080 7.0080 10.7025 10.7025 10.8038 10.8038 12.6547 12.6547 k = 0.2404-0.1388 0.1963 ( 1936 PWs) bands (ev): -5.2984 -5.2984 -1.2338 -1.2338 -1.2185 -1.2185 -0.8983 -0.8983 -0.8728 -0.8728 -0.8422 -0.8422 2.6749 2.6749 4.2252 4.2252 4.7204 4.7204 6.8425 6.8425 10.7323 10.7323 10.8769 10.8769 12.7072 12.7072 k = 0.2500-0.1443 0.2041 ( 1924 PWs) bands (ev): -5.2618 -5.2618 -1.2317 -1.2317 -1.2184 -1.2184 -0.8967 -0.8967 -0.8730 -0.8730 -0.8406 -0.8406 2.6095 2.6095 4.1788 4.1788 4.6702 4.6702 6.6726 6.6726 10.6633 10.6633 11.0613 11.0613 12.7627 12.7627 k = 0.2596-0.1499 0.2120 ( 1924 PWs) bands (ev): -5.2250 -5.2250 -1.2291 -1.2291 -1.2182 -1.2182 -0.8947 -0.8947 -0.8732 -0.8732 -0.8391 -0.8391 2.5466 2.5466 4.1330 4.1330 4.6207 4.6207 6.5004 6.5004 10.5967 10.5967 11.2533 11.2533 12.8209 12.8209 k = 0.2692-0.1554 0.2198 ( 1940 PWs) bands (ev): -5.1880 -5.1880 -1.2259 -1.2259 -1.2182 -1.2182 -0.8921 -0.8921 -0.8735 -0.8735 -0.8375 -0.8375 2.4861 2.4861 4.0879 4.0879 4.5720 4.5720 6.3276 6.3276 10.5326 10.5326 11.4511 11.4511 12.8819 12.8819 k = 0.2788-0.1610 0.2277 ( 1940 PWs) bands (ev): -5.1511 -5.1511 -1.2220 -1.2220 -1.2180 -1.2180 -0.8888 -0.8888 -0.8737 -0.8737 -0.8359 -0.8359 2.4279 2.4279 4.0438 4.0438 4.5243 4.5243 6.1557 6.1557 10.4710 10.4710 11.6532 11.6532 12.9456 12.9456 k = 0.2885-0.1665 0.2355 ( 1940 PWs) bands (ev): -5.1144 -5.1144 -1.2179 -1.2179 -1.2174 -1.2174 -0.8848 -0.8848 -0.8738 -0.8738 -0.8342 -0.8342 2.3720 2.3720 4.0007 4.0007 4.4778 4.4778 5.9856 5.9856 10.4120 10.4120 11.8582 11.8582 13.0119 13.0120 k = 0.2981-0.1721 0.2434 ( 1940 PWs) bands (ev): -5.0780 -5.0780 -1.2177 -1.2177 -1.2122 -1.2122 -0.8801 -0.8801 -0.8741 -0.8741 -0.8325 -0.8325 2.3182 2.3182 3.9587 3.9587 4.4325 4.4325 5.8182 5.8182 10.3554 10.3554 12.0648 12.0648 13.0811 13.0811 k = 0.3077-0.1776 0.2512 ( 1948 PWs) bands (ev): -5.0420 -5.0420 -1.2176 -1.2176 -1.2063 -1.2063 -0.8746 -0.8746 -0.8742 -0.8742 -0.8308 -0.8308 2.2664 2.2664 3.9180 3.9180 4.3886 4.3886 5.6543 5.6543 10.3015 10.3015 12.2714 12.2714 13.1534 13.1534 k = 0.3173-0.1832 0.2591 ( 1948 PWs) bands (ev): -5.0068 -5.0068 -1.2175 -1.2175 -1.1999 -1.1999 -0.8744 -0.8744 -0.8682 -0.8682 -0.8292 -0.8292 2.2165 2.2165 3.8786 3.8786 4.3461 4.3461 5.4946 5.4946 10.2501 10.2501 12.4764 12.4764 13.2295 13.2295 k = 0.3269-0.1887 0.2669 ( 1948 PWs) bands (ev): -4.9723 -4.9723 -1.2173 -1.2173 -1.1928 -1.1928 -0.8746 -0.8746 -0.8608 -0.8608 -0.8275 -0.8275 2.1684 2.1684 3.8407 3.8407 4.3053 4.3053 5.3395 5.3395 10.2013 10.2013 12.6772 12.6772 13.3109 13.3109 k = 0.3365-0.1943 0.2748 ( 1948 PWs) bands (ev): -4.9388 -4.9388 -1.2172 -1.2172 -1.1854 -1.1854 -0.8747 -0.8747 -0.8524 -0.8524 -0.8258 -0.8258 2.1221 2.1221 3.8044 3.8044 4.2661 4.2661 5.1896 5.1896 10.1551 10.1551 12.8701 12.8701 13.4003 13.4003 k = 0.3462-0.1999 0.2826 ( 1940 PWs) bands (ev): -4.9063 -4.9063 -1.2171 -1.2171 -1.1776 -1.1776 -0.8748 -0.8748 -0.8430 -0.8430 -0.8241 -0.8241 2.0774 2.0774 3.7698 3.7698 4.2286 4.2286 5.0455 5.0455 10.1115 10.1115 13.0491 13.0491 13.5025 13.5025 k = 0.3558-0.2054 0.2905 ( 1940 PWs) bands (ev): -4.8751 -4.8751 -1.2169 -1.2169 -1.1696 -1.1696 -0.8750 -0.8750 -0.8325 -0.8325 -0.8225 -0.8225 2.0344 2.0344 3.7370 3.7370 4.1931 4.1931 4.9076 4.9076 10.0706 10.0706 13.2067 13.2067 13.6237 13.6237 k = 0.3654-0.2110 0.2983 ( 1944 PWs) bands (ev): -4.8453 -4.8453 -1.2168 -1.2168 -1.1615 -1.1615 -0.8751 -0.8751 -0.8210 -0.8210 -0.8210 -0.8210 1.9928 1.9928 3.7060 3.7060 4.1594 4.1594 4.7762 4.7762 10.0322 10.0322 13.3379 13.3379 13.7676 13.7676 k = 0.3750-0.2165 0.3062 ( 1936 PWs) bands (ev): -4.8169 -4.8169 -1.2167 -1.2167 -1.1535 -1.1535 -0.8752 -0.8752 -0.8194 -0.8194 -0.8085 -0.8085 1.9529 1.9529 3.6770 3.6770 4.1278 4.1278 4.6519 4.6519 9.9965 9.9965 13.4450 13.4450 13.9306 13.9306 k = 0.3846-0.2221 0.3140 ( 1944 PWs) bands (ev): -4.7902 -4.7902 -1.2166 -1.2166 -1.1457 -1.1457 -0.8753 -0.8753 -0.8180 -0.8180 -0.7950 -0.7950 1.9146 1.9146 3.6500 3.6500 4.0982 4.0982 4.5350 4.5350 9.9635 9.9635 13.5347 13.5347 14.0478 14.0478 k = 0.3942-0.2276 0.3219 ( 1936 PWs) bands (ev): -4.7652 -4.7652 -1.2165 -1.2165 -1.1382 -1.1382 -0.8754 -0.8754 -0.8166 -0.8166 -0.7807 -0.7807 1.8779 1.8779 3.6251 3.6251 4.0708 4.0708 4.4259 4.4259 9.9330 9.9330 13.6126 13.6126 14.1145 14.1145 k = 0.4038-0.2332 0.3297 ( 1936 PWs) bands (ev): -4.7421 -4.7421 -1.2164 -1.2164 -1.1311 -1.1311 -0.8755 -0.8755 -0.8153 -0.8153 -0.7658 -0.7658 1.8430 1.8430 3.6024 3.6024 4.0455 4.0455 4.3249 4.3249 9.9052 9.9052 13.6821 13.6821 14.1784 14.1784 k = 0.4135-0.2387 0.3376 ( 1936 PWs) bands (ev): -4.7209 -4.7209 -1.2164 -1.2164 -1.1246 -1.1246 -0.8756 -0.8756 -0.8141 -0.8141 -0.7507 -0.7507 1.8101 1.8101 3.5819 3.5819 4.0225 4.0225 4.2324 4.2324 9.8801 9.8801 13.7449 13.7449 14.2389 14.2389 k = 0.4231-0.2443 0.3454 ( 1928 PWs) bands (ev): -4.7017 -4.7017 -1.2163 -1.2163 -1.1187 -1.1187 -0.8756 -0.8756 -0.8130 -0.8130 -0.7354 -0.7354 1.7793 1.7793 3.5637 3.5637 4.0018 4.0018 4.1487 4.1487 9.8575 9.8575 13.8016 13.8016 14.2954 14.2954 k = 0.4327-0.2498 0.3533 ( 1924 PWs) bands (ev): -4.6846 -4.6846 -1.2162 -1.2162 -1.1134 -1.1134 -0.8757 -0.8757 -0.8120 -0.8120 -0.7205 -0.7205 1.7510 1.7510 3.5478 3.5478 3.9835 3.9835 4.0740 4.0740 9.8377 9.8377 13.8525 13.8525 14.3472 14.3472 k = 0.4423-0.2554 0.3611 ( 1924 PWs) bands (ev): -4.6697 -4.6697 -1.2162 -1.2162 -1.1088 -1.1088 -0.8757 -0.8757 -0.8111 -0.8111 -0.7065 -0.7065 1.7255 1.7255 3.5343 3.5343 3.9675 3.9675 4.0085 4.0085 9.8205 9.8205 13.8974 13.8974 14.3938 14.3938 k = 0.4519-0.2609 0.3690 ( 1924 PWs) bands (ev): -4.6570 -4.6570 -1.2161 -1.2161 -1.1049 -1.1049 -0.8758 -0.8758 -0.8104 -0.8104 -0.6936 -0.6936 1.7031 1.7031 3.5231 3.5231 3.9526 3.9526 3.9539 3.9539 9.8059 9.8059 13.9362 13.9362 14.4344 14.4344 k = 0.4615-0.2665 0.3768 ( 1924 PWs) bands (ev): -4.6465 -4.6465 -1.2161 -1.2161 -1.1017 -1.1017 -0.8758 -0.8758 -0.8098 -0.8098 -0.6824 -0.6824 1.6841 1.6841 3.5142 3.5142 3.9064 3.9064 3.9427 3.9427 9.7940 9.7940 13.9684 13.9685 14.4686 14.4686 k = 0.4712-0.2720 0.3847 ( 1936 PWs) bands (ev): -4.6383 -4.6383 -1.2161 -1.2161 -1.0993 -1.0993 -0.8759 -0.8759 -0.8094 -0.8094 -0.6732 -0.6732 1.6690 1.6690 3.5074 3.5074 3.8701 3.8701 3.9340 3.9340 9.7847 9.7847 13.9939 13.9939 14.4958 14.4958 k = 0.4808-0.2776 0.3925 ( 1944 PWs) bands (ev): -4.6325 -4.6325 -1.2161 -1.2161 -1.0976 -1.0976 -0.8759 -0.8759 -0.8091 -0.8091 -0.6664 -0.6664 1.6579 1.6579 3.5027 3.5027 3.8440 3.8440 3.9278 3.9278 9.7780 9.7780 14.0123 14.0123 14.5155 14.5155 k = 0.4904-0.2831 0.4004 ( 1944 PWs) bands (ev): -4.6290 -4.6290 -1.2161 -1.2161 -1.0965 -1.0965 -0.8759 -0.8759 -0.8089 -0.8089 -0.6622 -0.6622 1.6511 1.6511 3.5000 3.5000 3.8282 3.8282 3.9241 3.9241 9.7741 9.7741 14.0235 14.0235 14.5275 14.5275 k = 0.5000-0.2887 0.4082 ( 1924 PWs) bands (ev): -4.6278 -4.6278 -1.2160 -1.2160 -1.0961 -1.0961 -0.8759 -0.8759 -0.8087 -0.8087 -0.6607 -0.6607 1.6489 1.6489 3.4991 3.4991 3.8230 3.8230 3.9228 3.9228 9.7727 9.7727 14.0272 14.0272 14.5315 14.5315 k = 0.5000-0.2887 0.4082 ( 1924 PWs) bands (ev): -4.6278 -4.6278 -1.2160 -1.2160 -1.0961 -1.0961 -0.8759 -0.8759 -0.8087 -0.8087 -0.6607 -0.6607 1.6489 1.6489 3.4991 3.4991 3.8230 3.8230 3.9228 3.9228 9.7727 9.7727 14.0272 14.0272 14.5315 14.5315 k = 0.5000-0.2776 0.4161 ( 1944 PWs) bands (ev): -4.6275 -4.6275 -1.2162 -1.2162 -1.0963 -1.0963 -0.8760 -0.8760 -0.8089 -0.8089 -0.6610 -0.6610 1.6502 1.6502 3.4753 3.4753 3.7878 3.7878 3.9834 3.9834 9.7779 9.7779 14.0183 14.0183 14.5212 14.5212 k = 0.5000-0.2665 0.4240 ( 1944 PWs) bands (ev): -4.6267 -4.6267 -1.2163 -1.2163 -1.0966 -1.0966 -0.8763 -0.8763 -0.8092 -0.8092 -0.6616 -0.6616 1.6542 1.6542 3.4123 3.4123 3.7471 3.7471 4.0921 4.0921 9.7935 9.7935 13.9895 13.9895 14.4938 14.4938 k = 0.5000-0.2554 0.4318 ( 1938 PWs) bands (ev): -4.6254 -4.6254 -1.2166 -1.2166 -1.0970 -1.0970 -0.8767 -0.8767 -0.8096 -0.8096 -0.6626 -0.6626 1.6607 1.6607 3.3272 3.3272 3.7162 3.7162 4.2165 4.2165 9.8193 9.8193 13.9348 13.9348 14.4589 14.4589 k = 0.5000-0.2443 0.4397 ( 1930 PWs) bands (ev): -4.6236 -4.6236 -1.2169 -1.2169 -1.0977 -1.0977 -0.8773 -0.8773 -0.8102 -0.8102 -0.6640 -0.6640 1.6699 1.6699 3.2332 3.2332 3.6885 3.6885 4.3502 4.3502 9.8551 9.8551 13.8480 13.8480 14.4280 14.4280 k = 0.5000-0.2332 0.4475 ( 1926 PWs) bands (ev): -4.6213 -4.6213 -1.2174 -1.2174 -1.0985 -1.0985 -0.8781 -0.8781 -0.8110 -0.8110 -0.6658 -0.6658 1.6817 1.6817 3.1372 3.1372 3.6597 3.6597 4.4906 4.4906 9.9009 9.9009 13.7277 13.7277 14.4079 14.4079 k = 0.5000-0.2221 0.4554 ( 1926 PWs) bands (ev): -4.6186 -4.6186 -1.2180 -1.2180 -1.0996 -1.0996 -0.8790 -0.8790 -0.8120 -0.8120 -0.6678 -0.6678 1.6959 1.6959 3.0424 3.0424 3.6283 3.6283 4.6364 4.6364 9.9562 9.9562 13.5778 13.5778 14.3998 14.3998 k = 0.5000-0.2110 0.4632 ( 1928 PWs) bands (ev): -4.6155 -4.6155 -1.2187 -1.2187 -1.1008 -1.1008 -0.8801 -0.8801 -0.8132 -0.8132 -0.6702 -0.6702 1.7126 1.7126 2.9504 2.9504 3.5935 3.5935 4.7868 4.7868 10.0207 10.0207 13.4050 13.4050 14.4015 14.4015 k = 0.5000-0.1999 0.4711 ( 1932 PWs) bands (ev): -4.6120 -4.6120 -1.2196 -1.2196 -1.1022 -1.1022 -0.8814 -0.8814 -0.8145 -0.8145 -0.6727 -0.6727 1.7316 1.7316 2.8623 2.8623 3.5552 3.5552 4.9412 4.9412 10.0942 10.0942 13.2152 13.2152 14.4103 14.4103 k = 0.5000-0.1887 0.4789 ( 1932 PWs) bands (ev): -4.6081 -4.6081 -1.2205 -1.2205 -1.1037 -1.1037 -0.8828 -0.8828 -0.8160 -0.8160 -0.6755 -0.6755 1.7529 1.7529 2.7784 2.7784 3.5137 3.5137 5.0991 5.0991 10.1761 10.1761 13.0134 13.0134 14.4237 14.4237 k = 0.5000-0.1776 0.4868 ( 1930 PWs) bands (ev): -4.6040 -4.6040 -1.2215 -1.2215 -1.1053 -1.1053 -0.8843 -0.8843 -0.8175 -0.8175 -0.6783 -0.6783 1.7763 1.7763 2.6994 2.6994 3.4690 3.4690 5.2602 5.2602 10.2662 10.2662 12.8031 12.8031 14.4386 14.4386 k = 0.5000-0.1665 0.4946 ( 1928 PWs) bands (ev): -4.5997 -4.5997 -1.2227 -1.2227 -1.1069 -1.1069 -0.8859 -0.8859 -0.8192 -0.8192 -0.6812 -0.6812 1.8016 1.8016 2.6254 2.6254 3.4215 3.4215 5.4241 5.4241 10.3640 10.3640 12.5873 12.5873 14.4506 14.4506 k = 0.5000-0.1554 0.5025 ( 1924 PWs) bands (ev): -4.5953 -4.5953 -1.2239 -1.2239 -1.1087 -1.1087 -0.8876 -0.8876 -0.8210 -0.8210 -0.6840 -0.6840 1.8286 1.8286 2.5568 2.5568 3.3715 3.3715 5.5903 5.5903 10.4691 10.4691 12.3681 12.3681 14.4500 14.4500 k = 0.5000-0.1443 0.5103 ( 1912 PWs) bands (ev): -4.5907 -4.5907 -1.2252 -1.2252 -1.1104 -1.1104 -0.8894 -0.8894 -0.8227 -0.8227 -0.6868 -0.6868 1.8570 1.8570 2.4939 2.4939 3.3195 3.3195 5.7584 5.7584 10.5809 10.5809 12.1476 12.1476 14.4195 14.4195 k = 0.5000-0.1332 0.5182 ( 1916 PWs) bands (ev): -4.5861 -4.5861 -1.2267 -1.2267 -1.1122 -1.1122 -0.8912 -0.8912 -0.8246 -0.8246 -0.6896 -0.6896 1.8862 1.8862 2.4372 2.4372 3.2656 3.2656 5.9277 5.9277 10.6991 10.6991 11.9273 11.9273 14.3457 14.3457 k = 0.5000-0.1221 0.5260 ( 1912 PWs) bands (ev): -4.5816 -4.5816 -1.2282 -1.2282 -1.1140 -1.1140 -0.8931 -0.8931 -0.8264 -0.8264 -0.6922 -0.6922 1.9156 1.9156 2.3874 2.3874 3.2104 3.2104 6.0976 6.0976 10.8229 10.8229 11.7090 11.7090 14.2371 14.2371 k = 0.5000-0.1110 0.5339 ( 1914 PWs) bands (ev): -4.5772 -4.5772 -1.2298 -1.2298 -1.1157 -1.1157 -0.8950 -0.8950 -0.8281 -0.8281 -0.6947 -0.6947 1.9440 1.9440 2.3453 2.3453 3.1541 3.1541 6.2673 6.2673 10.9512 10.9512 11.4950 11.4950 14.1079 14.1079 k = 0.5000-0.0999 0.5417 ( 1914 PWs) bands (ev): -4.5730 -4.5730 -1.2313 -1.2313 -1.1174 -1.1174 -0.8969 -0.8969 -0.8298 -0.8298 -0.6969 -0.6969 1.9699 1.9699 2.3124 2.3124 3.0972 3.0972 6.4356 6.4356 11.0776 11.0776 11.2928 11.2928 13.9662 13.9662 k = 0.5000-0.0888 0.5496 ( 1914 PWs) bands (ev): -4.5690 -4.5690 -1.2329 -1.2329 -1.1189 -1.1189 -0.8987 -0.8987 -0.8314 -0.8314 -0.6990 -0.6990 1.9910 1.9910 2.2909 2.2909 3.0400 3.0400 6.6013 6.6013 11.0561 11.0561 11.2498 11.2498 13.8163 13.8163 k = 0.5000-0.0777 0.5574 ( 1914 PWs) bands (ev): -4.5653 -4.5653 -1.2344 -1.2344 -1.1203 -1.1203 -0.9004 -0.9004 -0.8328 -0.8328 -0.7008 -0.7008 2.0050 2.0050 2.2828 2.2828 2.9830 2.9830 6.7625 6.7625 10.8705 10.8705 11.3839 11.3839 13.6606 13.6606 k = 0.5000-0.0666 0.5653 ( 1916 PWs) bands (ev): -4.5619 -4.5619 -1.2358 -1.2358 -1.1216 -1.1216 -0.9020 -0.9020 -0.8342 -0.8342 -0.7024 -0.7024 2.0107 2.0107 2.2888 2.2888 2.9267 2.9267 6.9168 6.9168 10.6874 10.6874 11.5307 11.5307 13.5006 13.5006 k = 0.5000-0.0555 0.5731 ( 1916 PWs) bands (ev): -4.5590 -4.5590 -1.2371 -1.2371 -1.1227 -1.1227 -0.9033 -0.9033 -0.8353 -0.8353 -0.7037 -0.7037 2.0095 2.0095 2.3069 2.3069 2.8718 2.8718 7.0611 7.0611 10.5174 10.5174 11.6823 11.6823 13.3376 13.3376 k = 0.5000-0.0444 0.5810 ( 1916 PWs) bands (ev): -4.5566 -4.5566 -1.2382 -1.2382 -1.1236 -1.1236 -0.9045 -0.9045 -0.8362 -0.8362 -0.7048 -0.7048 2.0044 2.0044 2.3336 2.3336 2.8192 2.8192 7.1913 7.1913 10.3658 10.3658 11.8374 11.8374 13.1729 13.1729 k = 0.5000-0.0333 0.5888 ( 1908 PWs) bands (ev): -4.5546 -4.5546 -1.2390 -1.2390 -1.1243 -1.1243 -0.9054 -0.9054 -0.8369 -0.8369 -0.7057 -0.7057 1.9980 1.9980 2.3644 2.3644 2.7704 2.7704 7.3022 7.3022 10.2379 10.2379 11.9948 11.9948 13.0076 13.0076 k = 0.5000-0.0222 0.5967 ( 1908 PWs) bands (ev): -4.5532 -4.5532 -1.2397 -1.2397 -1.1248 -1.1248 -0.9061 -0.9061 -0.8375 -0.8375 -0.7063 -0.7063 1.9923 1.9923 2.3947 2.3947 2.7283 2.7283 7.3881 7.3881 10.1399 10.1399 12.1530 12.1530 12.8437 12.8437 k = 0.5000-0.0111 0.6045 ( 1912 PWs) bands (ev): -4.5524 -4.5524 -1.2402 -1.2402 -1.1252 -1.1252 -0.9066 -0.9066 -0.8378 -0.8378 -0.7067 -0.7067 1.9885 1.9885 2.4185 2.4185 2.6979 2.6979 7.4427 7.4427 10.0779 10.0779 12.3061 12.3061 12.6870 12.6870 k = 0.5000-0.0000 0.6124 ( 1912 PWs) bands (ev): -4.5521 -4.5521 -1.2403 -1.2403 -1.1253 -1.1253 -0.9067 -0.9067 -0.8379 -0.8379 -0.7068 -0.7068 1.9872 1.9872 2.4278 2.4278 2.6864 2.6864 7.4615 7.4615 10.0567 10.0567 12.4039 12.4039 12.5880 12.5880 k = 0.5000-0.0000 0.6124 ( 1912 PWs) bands (ev): -4.5521 -4.5521 -1.2403 -1.2403 -1.1253 -1.1253 -0.9067 -0.9067 -0.8379 -0.8379 -0.7068 -0.7068 1.9872 1.9872 2.4278 2.4278 2.6864 2.6864 7.4615 7.4615 10.0567 10.0567 12.4039 12.4039 12.5880 12.5880 k = 0.4934 0.0114 0.6124 ( 1912 PWs) bands (ev): -4.5524 -4.5524 -1.2403 -1.2403 -1.1253 -1.1253 -0.9067 -0.9067 -0.8379 -0.8379 -0.7070 -0.7070 1.9809 1.9809 2.4262 2.4262 2.6987 2.6987 7.4524 7.4524 10.0653 10.0653 12.3517 12.3517 12.6434 12.6434 k = 0.4868 0.0228 0.6124 ( 1910 PWs) bands (ev): -4.5533 -4.5533 -1.2401 -1.2401 -1.1255 -1.1255 -0.9066 -0.9066 -0.8378 -0.8378 -0.7077 -0.7077 1.9647 1.9647 2.4175 2.4175 2.7371 2.7371 7.4251 7.4251 10.0914 10.0914 12.2608 12.2608 12.7440 12.7440 k = 0.4803 0.0342 0.6124 ( 1911 PWs) bands (ev): -4.5547 -4.5547 -1.2399 -1.2399 -1.1257 -1.1257 -0.9064 -0.9064 -0.8376 -0.8376 -0.7087 -0.7087 1.9421 1.9421 2.4009 2.4009 2.7982 2.7982 7.3799 7.3799 10.1345 10.1345 12.1677 12.1677 12.8537 12.8537 k = 0.4737 0.0456 0.6124 ( 1909 PWs) bands (ev): -4.5564 -4.5564 -1.2396 -1.2396 -1.1260 -1.1260 -0.9062 -0.9062 -0.8374 -0.8374 -0.7099 -0.7099 1.9161 1.9161 2.3793 2.3793 2.8760 2.8760 7.3182 7.3182 10.1934 10.1934 12.0791 12.0791 12.9656 12.9656 k = 0.4671 0.0570 0.6124 ( 1911 PWs) bands (ev): -4.5585 -4.5585 -1.2392 -1.2392 -1.1263 -1.1263 -0.9060 -0.9060 -0.8371 -0.8371 -0.7115 -0.7115 1.8886 1.8886 2.3556 2.3556 2.9655 2.9655 7.2417 7.2417 10.2663 10.2663 11.9971 11.9971 13.0776 13.0776 k = 0.4605 0.0684 0.6124 ( 1915 PWs) bands (ev): -4.5609 -4.5609 -1.2388 -1.2388 -1.1267 -1.1267 -0.9058 -0.9058 -0.8367 -0.8367 -0.7133 -0.7133 1.8610 1.8610 2.3313 2.3313 3.0632 3.0632 7.1526 7.1526 10.3510 10.3510 11.9227 11.9227 13.1884 13.1884 k = 0.4539 0.0798 0.6124 ( 1915 PWs) bands (ev): -4.5633 -4.5633 -1.2383 -1.2383 -1.1272 -1.1272 -0.9055 -0.9055 -0.8363 -0.8363 -0.7152 -0.7152 1.8340 1.8340 2.3075 2.3075 3.1669 3.1669 7.0529 7.0529 10.4451 10.4451 11.8569 11.8569 13.2969 13.2969 k = 0.4474 0.0912 0.6124 ( 1919 PWs) bands (ev): -4.5659 -4.5659 -1.2378 -1.2378 -1.1276 -1.1276 -0.9052 -0.9052 -0.8357 -0.8357 -0.7172 -0.7172 1.8082 1.8082 2.2848 2.2848 3.2749 3.2749 6.9450 6.9450 10.5458 10.5458 11.8006 11.8006 13.4019 13.4019 k = 0.4408 0.1026 0.6124 ( 1915 PWs) bands (ev): -4.5685 -4.5685 -1.2372 -1.2372 -1.1280 -1.1280 -0.9049 -0.9049 -0.8351 -0.8351 -0.7193 -0.7193 1.7840 1.7840 2.2634 2.2634 3.3859 3.3859 6.8310 6.8310 10.6501 10.6501 11.7552 11.7552 13.5020 13.5020 k = 0.4342 0.1140 0.6124 ( 1915 PWs) bands (ev): -4.5710 -4.5710 -1.2367 -1.2367 -1.1285 -1.1285 -0.9047 -0.9047 -0.8345 -0.8345 -0.7214 -0.7214 1.7617 1.7617 2.2438 2.2438 3.4984 3.4984 6.7132 6.7132 10.7542 10.7542 11.7226 11.7226 13.5949 13.5949 k = 0.4276 0.1253 0.6124 ( 1913 PWs) bands (ev): -4.5735 -4.5735 -1.2361 -1.2361 -1.1289 -1.1289 -0.9044 -0.9044 -0.8337 -0.8337 -0.7235 -0.7235 1.7414 1.7414 2.2259 2.2259 3.6112 3.6112 6.5937 6.5937 10.8537 10.8537 11.7057 11.7057 13.6764 13.6764 k = 0.4211 0.1367 0.6124 ( 1911 PWs) bands (ev): -4.5757 -4.5757 -1.2356 -1.2356 -1.1293 -1.1293 -0.9042 -0.9042 -0.8330 -0.8330 -0.7255 -0.7255 1.7232 1.7232 2.2100 2.2100 3.7225 3.7225 6.4748 6.4748 10.9429 10.9429 11.7080 11.7080 13.7323 13.7323 k = 0.4145 0.1481 0.6124 ( 1917 PWs) bands (ev): -4.5778 -4.5778 -1.2351 -1.2351 -1.1297 -1.1297 -0.9041 -0.9041 -0.8323 -0.8323 -0.7274 -0.7274 1.7074 1.7074 2.1961 2.1961 3.8305 3.8305 6.3591 6.3591 11.0164 11.0164 11.7329 11.7329 13.7129 13.7129 k = 0.4079 0.1595 0.6124 ( 1915 PWs) bands (ev): -4.5796 -4.5796 -1.2347 -1.2347 -1.1300 -1.1300 -0.9039 -0.9039 -0.8317 -0.8317 -0.7290 -0.7290 1.6938 1.6938 2.1842 2.1842 3.9326 3.9326 6.2496 6.2496 11.0708 11.0708 11.7813 11.7813 13.6059 13.6059 k = 0.4013 0.1709 0.6124 ( 1917 PWs) bands (ev): -4.5811 -4.5811 -1.2343 -1.2343 -1.1302 -1.1302 -0.9038 -0.9038 -0.8311 -0.8311 -0.7305 -0.7305 1.6827 1.6827 2.1745 2.1745 4.0257 4.0257 6.1500 6.1500 11.1066 11.1066 11.8485 11.8485 13.4771 13.4771 k = 0.3947 0.1823 0.6124 ( 1913 PWs) bands (ev): -4.5824 -4.5824 -1.2340 -1.2340 -1.1305 -1.1305 -0.9036 -0.9036 -0.8306 -0.8306 -0.7316 -0.7316 1.6740 1.6740 2.1668 2.1668 4.1058 4.1058 6.0645 6.0645 11.1280 11.1280 11.9252 11.9252 13.3541 13.3541 k = 0.3882 0.1937 0.6124 ( 1916 PWs) bands (ev): -4.5833 -4.5833 -1.2338 -1.2338 -1.1306 -1.1306 -0.9036 -0.9036 -0.8302 -0.8302 -0.7325 -0.7325 1.6678 1.6678 2.1614 2.1614 4.1683 4.1683 5.9980 5.9980 11.1396 11.1396 11.9983 11.9983 13.2504 13.2504 k = 0.3816 0.2051 0.6124 ( 1916 PWs) bands (ev): -4.5838 -4.5838 -1.2337 -1.2337 -1.1307 -1.1307 -0.9035 -0.9035 -0.8300 -0.8300 -0.7330 -0.7330 1.6640 1.6640 2.1581 2.1581 4.2083 4.2083 5.9554 5.9554 11.1451 11.1451 12.0522 12.0522 13.1791 13.1791 k = 0.3750 0.2165 0.6124 ( 1906 PWs) bands (ev): -4.5840 -4.5840 -1.2336 -1.2336 -1.1307 -1.1307 -0.9035 -0.9035 -0.8299 -0.8299 -0.7332 -0.7332 1.6628 1.6628 2.1570 2.1570 4.2221 4.2221 5.9407 5.9407 11.1467 11.1467 12.0724 12.0724 13.1534 13.1534 k = 0.3750 0.2165 0.6124 ( 1906 PWs) bands (ev): -4.5840 -4.5840 -1.2336 -1.2336 -1.1307 -1.1307 -0.9035 -0.9035 -0.8299 -0.8299 -0.7332 -0.7332 1.6628 1.6628 2.1570 2.1570 4.2221 4.2221 5.9407 5.9407 11.1467 11.1467 12.0724 12.0724 13.1534 13.1534 k = 0.3682 0.2126 0.6012 ( 1910 PWs) bands (ev): -4.5846 -4.5846 -1.2354 -1.2354 -1.1347 -1.1347 -0.9064 -0.9064 -0.8314 -0.8314 -0.7408 -0.7408 1.5989 1.5989 2.1979 2.1979 4.2759 4.2759 6.0429 6.0429 11.2113 11.2113 11.9361 11.9361 13.1456 13.1456 k = 0.3614 0.2086 0.5901 ( 1910 PWs) bands (ev): -4.5864 -4.5864 -1.2373 -1.2373 -1.1389 -1.1389 -0.9093 -0.9093 -0.8329 -0.8329 -0.7485 -0.7485 1.5380 1.5380 2.2437 2.2437 4.3316 4.3316 6.1443 6.1443 11.2490 11.2490 11.8048 11.8048 13.1698 13.1698 k = 0.3545 0.2047 0.5790 ( 1906 PWs) bands (ev): -4.5895 -4.5895 -1.2391 -1.2391 -1.1432 -1.1432 -0.9123 -0.9123 -0.8344 -0.8344 -0.7562 -0.7562 1.4816 1.4816 2.2931 2.2931 4.3892 4.3892 6.2451 6.2451 11.2555 11.2555 11.6799 11.6799 13.2289 13.2289 k = 0.3477 0.2008 0.5678 ( 1902 PWs) bands (ev): -4.5940 -4.5940 -1.2410 -1.2410 -1.1478 -1.1478 -0.9154 -0.9154 -0.8358 -0.8358 -0.7639 -0.7639 1.4302 1.4302 2.3456 2.3456 4.4484 4.4484 6.3456 6.3456 11.2294 11.2294 11.5632 11.5632 13.3227 13.3227 k = 0.3409 0.1968 0.5567 ( 1896 PWs) bands (ev): -4.6001 -4.6001 -1.2429 -1.2429 -1.1525 -1.1525 -0.9185 -0.9185 -0.8373 -0.8373 -0.7714 -0.7714 1.3844 1.3844 2.4007 2.4007 4.5090 4.5090 6.4458 6.4458 11.1732 11.1732 11.4554 11.4554 13.4483 13.4483 k = 0.3341 0.1929 0.5456 ( 1896 PWs) bands (ev): -4.6079 -4.6079 -1.2448 -1.2448 -1.1574 -1.1574 -0.9216 -0.9216 -0.8387 -0.8387 -0.7787 -0.7787 1.3443 1.3443 2.4582 2.4582 4.5710 4.5710 6.5461 6.5461 11.0933 11.0933 11.3546 11.3546 13.4391 13.4391 k = 0.3273 0.1890 0.5344 ( 1901 PWs) bands (ev): -4.6175 -4.6175 -1.2467 -1.2467 -1.1624 -1.1624 -0.9248 -0.9248 -0.8402 -0.8402 -0.7857 -0.7857 1.3102 1.3102 2.5178 2.5178 4.6340 4.6340 6.6466 6.6466 10.9984 10.9984 11.2570 11.2570 13.3310 13.3310 k = 0.3205 0.1850 0.5233 ( 1913 PWs) bands (ev): -4.6290 -4.6290 -1.2486 -1.2486 -1.1675 -1.1675 -0.9278 -0.9278 -0.8417 -0.8417 -0.7923 -0.7923 1.2821 1.2821 2.5795 2.5795 4.6978 4.6978 6.7474 6.7474 10.8960 10.8960 11.1592 11.1592 13.2245 13.2245 k = 0.3136 0.1811 0.5122 ( 1917 PWs) bands (ev): -4.6424 -4.6424 -1.2504 -1.2504 -1.1725 -1.1725 -0.9307 -0.9307 -0.8433 -0.8433 -0.7985 -0.7985 1.2601 1.2601 2.6430 2.6430 4.7623 4.7623 6.8487 6.8487 10.7911 10.7911 11.0597 11.0597 13.1200 13.1200 k = 0.3068 0.1771 0.5010 ( 1921 PWs) bands (ev): -4.6579 -4.6579 -1.2520 -1.2520 -1.1775 -1.1775 -0.9335 -0.9335 -0.8449 -0.8449 -0.8041 -0.8041 1.2443 1.2443 2.7083 2.7083 4.8271 4.8271 6.9506 6.9506 10.6867 10.6867 10.9582 10.9582 13.0177 13.0177 k = 0.3000 0.1732 0.4899 ( 1915 PWs) bands (ev): -4.6753 -4.6753 -1.2536 -1.2536 -1.1824 -1.1824 -0.9359 -0.9359 -0.8465 -0.8465 -0.8092 -0.8092 1.2345 1.2345 2.7753 2.7753 4.8920 4.8920 7.0533 7.0533 10.5847 10.5847 10.8551 10.8551 12.9176 12.9176 k = 0.2932 0.1693 0.4788 ( 1915 PWs) bands (ev): -4.6948 -4.6948 -1.2550 -1.2550 -1.1871 -1.1871 -0.9382 -0.9382 -0.8482 -0.8482 -0.8138 -0.8138 1.2308 1.2308 2.8438 2.8438 4.9567 4.9567 7.1567 7.1567 10.4861 10.4861 10.7509 10.7509 12.8201 12.8201 k = 0.2864 0.1653 0.4676 ( 1923 PWs) bands (ev): -4.7164 -4.7164 -1.2563 -1.2563 -1.1916 -1.1916 -0.9401 -0.9401 -0.8500 -0.8500 -0.8178 -0.8178 1.2331 1.2331 2.9137 2.9137 5.0207 5.0207 7.2611 7.2611 10.3917 10.3917 10.6463 10.6463 12.7252 12.7252 k = 0.2795 0.1614 0.4565 ( 1927 PWs) bands (ev): -4.7399 -4.7399 -1.2575 -1.2575 -1.1959 -1.1959 -0.9417 -0.9417 -0.8517 -0.8517 -0.8214 -0.8214 1.2413 1.2413 2.9850 2.9850 5.0839 5.0839 7.3665 7.3665 10.3020 10.3020 10.5420 10.5420 12.6333 12.6333 k = 0.2727 0.1575 0.4454 ( 1929 PWs) bands (ev): -4.7654 -4.7654 -1.2584 -1.2584 -1.1998 -1.1998 -0.9430 -0.9430 -0.8535 -0.8535 -0.8246 -0.8246 1.2553 1.2553 3.0574 3.0574 5.1458 5.1458 7.4727 7.4727 10.2172 10.2172 10.4389 10.4389 12.5443 12.5443 k = 0.2659 0.1535 0.4342 ( 1931 PWs) bands (ev): -4.7927 -4.7927 -1.2591 -1.2591 -1.2034 -1.2034 -0.9438 -0.9438 -0.8553 -0.8553 -0.8273 -0.8273 1.2751 1.2751 3.1310 3.1310 5.2061 5.2061 7.5799 7.5799 10.1373 10.1373 10.3380 10.3380 12.4585 12.4585 k = 0.2591 0.1496 0.4231 ( 1927 PWs) bands (ev): -4.8217 -4.8217 -1.2596 -1.2596 -1.2067 -1.2067 -0.9443 -0.9443 -0.8571 -0.8571 -0.8297 -0.8297 1.3006 1.3006 3.2055 3.2055 5.2643 5.2643 7.6879 7.6879 10.0614 10.0614 10.2409 10.2409 12.3761 12.3761 k = 0.2523 0.1456 0.4120 ( 1923 PWs) bands (ev): -4.8524 -4.8524 -1.2599 -1.2599 -1.2096 -1.2096 -0.9444 -0.9444 -0.8588 -0.8588 -0.8318 -0.8318 1.3317 1.3317 3.2809 3.2809 5.3200 5.3200 7.7965 7.7965 9.9880 9.9880 10.1502 10.1502 12.2972 12.2972 k = 0.2455 0.1417 0.4008 ( 1923 PWs) bands (ev): -4.8845 -4.8845 -1.2600 -1.2600 -1.2122 -1.2122 -0.9441 -0.9441 -0.8604 -0.8604 -0.8337 -0.8337 1.3683 1.3683 3.3570 3.3570 5.3729 5.3729 7.9054 7.9054 9.9139 9.9139 10.0699 10.0699 12.2219 12.2219 k = 0.2386 0.1378 0.3897 ( 1927 PWs) bands (ev): -4.9179 -4.9179 -1.2598 -1.2598 -1.2144 -1.2144 -0.9435 -0.9435 -0.8619 -0.8619 -0.8354 -0.8354 1.4104 1.4104 3.4336 3.4336 5.4226 5.4226 8.0142 8.0142 9.8362 9.8362 10.0041 10.0041 12.1504 12.1504 k = 0.2318 0.1338 0.3786 ( 1927 PWs) bands (ev): -4.9526 -4.9526 -1.2594 -1.2594 -1.2164 -1.2164 -0.9425 -0.9425 -0.8633 -0.8633 -0.8369 -0.8369 1.4578 1.4578 3.5107 3.5107 5.4686 5.4686 8.1222 8.1222 9.7545 9.7545 9.9544 9.9544 12.0829 12.0829 k = 0.2250 0.1299 0.3674 ( 1917 PWs) bands (ev): -4.9882 -4.9882 -1.2588 -1.2588 -1.2180 -1.2180 -0.9412 -0.9412 -0.8645 -0.8645 -0.8383 -0.8383 1.5104 1.5104 3.5881 3.5881 5.5107 5.5107 8.2280 8.2280 9.6716 9.6716 9.9195 9.9195 12.0194 12.0194 k = 0.2182 0.1260 0.3563 ( 1921 PWs) bands (ev): -5.0247 -5.0247 -1.2580 -1.2580 -1.2194 -1.2194 -0.9396 -0.9396 -0.8657 -0.8657 -0.8397 -0.8397 1.5682 1.5682 3.6655 3.6655 5.5485 5.5485 8.3298 8.3298 9.5915 9.5915 9.8979 9.8979 11.9602 11.9602 k = 0.2114 0.1220 0.3452 ( 1919 PWs) bands (ev): -5.0618 -5.0618 -1.2570 -1.2570 -1.2205 -1.2205 -0.9378 -0.9378 -0.8667 -0.8667 -0.8410 -0.8410 1.6310 1.6310 3.7429 3.7429 5.5819 5.5819 8.4244 8.4244 9.5187 9.5187 9.8884 9.8884 11.9055 11.9055 k = 0.2045 0.1181 0.3340 ( 1923 PWs) bands (ev): -5.0995 -5.0995 -1.2559 -1.2559 -1.2214 -1.2214 -0.9357 -0.9357 -0.8677 -0.8677 -0.8422 -0.8422 1.6987 1.6987 3.8200 3.8200 5.6107 5.6107 8.5066 8.5066 9.4591 9.4591 9.8903 9.8903 11.8552 11.8552 k = 0.1977 0.1142 0.3229 ( 1925 PWs) bands (ev): -5.1374 -5.1374 -1.2546 -1.2546 -1.2221 -1.2221 -0.9335 -0.9335 -0.8685 -0.8685 -0.8433 -0.8433 1.7713 1.7713 3.8968 3.8968 5.6347 5.6347 8.5687 8.5687 9.4208 9.4208 9.9033 9.9033 11.8097 11.8097 k = 0.1909 0.1102 0.3118 ( 1925 PWs) bands (ev): -5.1755 -5.1755 -1.2532 -1.2532 -1.2227 -1.2227 -0.9310 -0.9310 -0.8692 -0.8692 -0.8444 -0.8444 1.8485 1.8485 3.9728 3.9728 5.6541 5.6541 8.6019 8.6019 9.4129 9.4129 9.9272 9.9272 11.7690 11.7690 k = 0.1841 0.1063 0.3006 ( 1927 PWs) bands (ev): -5.2137 -5.2137 -1.2517 -1.2517 -1.2231 -1.2231 -0.9285 -0.9285 -0.8699 -0.8699 -0.8454 -0.8454 1.9304 1.9304 4.0481 4.0481 5.6690 5.6690 8.6006 8.6006 9.4409 9.4409 9.9618 9.9618 11.7334 11.7334 k = 0.1773 0.1023 0.2895 ( 1927 PWs) bands (ev): -5.2516 -5.2516 -1.2501 -1.2501 -1.2233 -1.2233 -0.9258 -0.9258 -0.8704 -0.8704 -0.8464 -0.8464 2.0166 2.0166 4.1222 4.1222 5.6795 5.6795 8.5671 8.5671 9.5024 9.5024 10.0066 10.0066 11.7028 11.7028 k = 0.1705 0.0984 0.2784 ( 1931 PWs) bands (ev): -5.2893 -5.2893 -1.2485 -1.2485 -1.2235 -1.2235 -0.9230 -0.9230 -0.8709 -0.8709 -0.8474 -0.8474 2.1072 2.1072 4.1951 4.1951 5.6860 5.6860 8.5091 8.5091 9.5896 9.5896 10.0616 10.0616 11.6776 11.6776 k = 0.1636 0.0945 0.2672 ( 1935 PWs) bands (ev): -5.3264 -5.3264 -1.2468 -1.2468 -1.2236 -1.2236 -0.9201 -0.9201 -0.8713 -0.8713 -0.8484 -0.8484 2.2019 2.2019 4.2664 4.2664 5.6888 5.6888 8.4345 8.4345 9.6945 9.6945 10.1262 10.1262 11.6578 11.6578 k = 0.1568 0.0905 0.2561 ( 1925 PWs) bands (ev): -5.3630 -5.3630 -1.2451 -1.2451 -1.2235 -1.2235 -0.9171 -0.9171 -0.8715 -0.8715 -0.8492 -0.8492 2.3007 2.3007 4.3360 4.3360 5.6884 5.6884 8.3488 8.3488 9.8112 9.8112 10.2002 10.2002 11.6436 11.6436 k = 0.1500 0.0866 0.2449 ( 1929 PWs) bands (ev): -5.3989 -5.3989 -1.2434 -1.2434 -1.2235 -1.2235 -0.9142 -0.9142 -0.8718 -0.8718 -0.8501 -0.8501 2.4033 2.4033 4.4036 4.4036 5.6851 5.6851 8.2554 8.2554 9.9361 9.9361 10.2831 10.2831 11.6351 11.6351 k = 0.1432 0.0827 0.2338 ( 1929 PWs) bands (ev): -5.4340 -5.4340 -1.2416 -1.2416 -1.2234 -1.2234 -0.9112 -0.9112 -0.8720 -0.8720 -0.8509 -0.8509 2.5095 2.5095 4.4689 4.4689 5.6795 5.6795 8.1566 8.1566 10.0667 10.0667 10.3745 10.3745 11.6323 11.6323 k = 0.1364 0.0787 0.2227 ( 1929 PWs) bands (ev): -5.4681 -5.4681 -1.2399 -1.2399 -1.2233 -1.2233 -0.9083 -0.9083 -0.8721 -0.8721 -0.8516 -0.8516 2.6193 2.6193 4.5316 4.5316 5.6721 5.6721 8.0534 8.0534 10.2015 10.2015 10.4741 10.4741 11.6355 11.6355 k = 0.1295 0.0748 0.2115 ( 1923 PWs) bands (ev): -5.5011 -5.5011 -1.2382 -1.2382 -1.2231 -1.2231 -0.9053 -0.9053 -0.8722 -0.8722 -0.8523 -0.8523 2.7324 2.7324 4.5915 4.5915 5.6634 5.6634 7.9467 7.9467 10.3392 10.3392 10.5813 10.5813 11.6447 11.6447 k = 0.1227 0.0709 0.2004 ( 1923 PWs) bands (ev): -5.5330 -5.5330 -1.2366 -1.2366 -1.2229 -1.2229 -0.9025 -0.9025 -0.8723 -0.8723 -0.8530 -0.8530 2.8486 2.8486 4.6484 4.6484 5.6540 5.6540 7.8369 7.8369 10.4790 10.4790 10.6957 10.6957 11.6599 11.6599 k = 0.1159 0.0669 0.1893 ( 1937 PWs) bands (ev): -5.5636 -5.5636 -1.2351 -1.2351 -1.2228 -1.2228 -0.8997 -0.8997 -0.8724 -0.8724 -0.8537 -0.8537 2.9677 2.9677 4.7020 4.7020 5.6443 5.6443 7.7243 7.7243 10.6202 10.6202 10.8169 10.8169 11.6812 11.6812 k = 0.1091 0.0630 0.1781 ( 1937 PWs) bands (ev): -5.5929 -5.5929 -1.2336 -1.2336 -1.2226 -1.2226 -0.8970 -0.8970 -0.8725 -0.8725 -0.8542 -0.8542 3.0894 3.0894 4.7521 4.7521 5.6349 5.6349 7.6091 7.6091 10.7622 10.7622 10.9442 10.9442 11.7086 11.7086 k = 0.1023 0.0590 0.1670 ( 1933 PWs) bands (ev): -5.6207 -5.6207 -1.2321 -1.2321 -1.2224 -1.2224 -0.8943 -0.8943 -0.8725 -0.8725 -0.8547 -0.8547 3.2136 3.2136 4.7984 4.7984 5.6261 5.6261 7.4914 7.4914 10.9046 10.9046 11.0771 11.0771 11.7421 11.7421 k = 0.0955 0.0551 0.1559 ( 1933 PWs) bands (ev): -5.6471 -5.6471 -1.2307 -1.2307 -1.2222 -1.2222 -0.8918 -0.8918 -0.8725 -0.8725 -0.8552 -0.8552 3.3399 3.3399 4.8410 4.8410 5.6185 5.6185 7.3713 7.3713 11.0470 11.0470 11.2147 11.2147 11.7817 11.7817 k = 0.0886 0.0512 0.1447 ( 1927 PWs) bands (ev): -5.6719 -5.6719 -1.2294 -1.2294 -1.2220 -1.2220 -0.8893 -0.8893 -0.8725 -0.8725 -0.8556 -0.8556 3.4679 3.4679 4.8798 4.8798 5.6122 5.6122 7.2489 7.2489 11.1890 11.1890 11.3560 11.3560 11.8272 11.8272 k = 0.0818 0.0472 0.1336 ( 1923 PWs) bands (ev): -5.6952 -5.6952 -1.2281 -1.2281 -1.2218 -1.2218 -0.8869 -0.8869 -0.8725 -0.8725 -0.8560 -0.8560 3.5973 3.5973 4.9148 4.9148 5.6075 5.6075 7.1242 7.1242 11.3303 11.3303 11.5000 11.5000 11.8787 11.8787 k = 0.0750 0.0433 0.1225 ( 1915 PWs) bands (ev): -5.7167 -5.7167 -1.2270 -1.2270 -1.2216 -1.2216 -0.8847 -0.8847 -0.8724 -0.8724 -0.8563 -0.8563 3.7276 3.7276 4.9465 4.9465 5.6046 5.6046 6.9975 6.9975 11.4701 11.4701 11.6456 11.6456 11.9360 11.9360 k = 0.0682 0.0394 0.1113 ( 1919 PWs) bands (ev): -5.7365 -5.7365 -1.2259 -1.2259 -1.2215 -1.2215 -0.8827 -0.8827 -0.8724 -0.8724 -0.8566 -0.8566 3.8580 3.8580 4.9753 4.9753 5.6034 5.6034 6.8688 6.8688 11.6076 11.6076 11.7914 11.7914 11.9991 11.9991 k = 0.0614 0.0354 0.1002 ( 1923 PWs) bands (ev): -5.7546 -5.7546 -1.2250 -1.2250 -1.2214 -1.2214 -0.8808 -0.8808 -0.8724 -0.8724 -0.8569 -0.8569 3.9878 3.9878 5.0020 5.0020 5.6037 5.6037 6.7383 6.7383 11.7415 11.7415 11.9362 11.9362 12.0679 12.0679 k = 0.0545 0.0315 0.0891 ( 1923 PWs) bands (ev): -5.7709 -5.7709 -1.2241 -1.2241 -1.2213 -1.2213 -0.8791 -0.8791 -0.8724 -0.8724 -0.8572 -0.8572 4.1156 4.1156 5.0279 5.0279 5.6054 5.6054 6.6064 6.6064 11.8703 11.8703 12.0772 12.0772 12.1432 12.1432 k = 0.0477 0.0276 0.0779 ( 1919 PWs) bands (ev): -5.7853 -5.7853 -1.2234 -1.2234 -1.2212 -1.2212 -0.8775 -0.8775 -0.8724 -0.8724 -0.8574 -0.8574 4.2398 4.2398 5.0549 5.0549 5.6081 5.6081 6.4731 6.4731 11.9921 11.9921 12.2026 12.2026 12.2343 12.2343 k = 0.0409 0.0236 0.0668 ( 1927 PWs) bands (ev): -5.7979 -5.7979 -1.2227 -1.2227 -1.2211 -1.2211 -0.8762 -0.8762 -0.8724 -0.8724 -0.8575 -0.8575 4.3577 4.3577 5.0855 5.0855 5.6115 5.6115 6.3391 6.3391 12.1054 12.1054 12.2938 12.2938 12.3562 12.3562 k = 0.0341 0.0197 0.0557 ( 1921 PWs) bands (ev): -5.8086 -5.8086 -1.2222 -1.2222 -1.2210 -1.2210 -0.8750 -0.8750 -0.8724 -0.8724 -0.8577 -0.8577 4.4656 4.4656 5.1232 5.1232 5.6151 5.6151 6.2048 6.2048 12.2092 12.2092 12.3775 12.3775 12.4751 12.4751 k = 0.0273 0.0157 0.0445 ( 1917 PWs) bands (ev): -5.8173 -5.8173 -1.2217 -1.2217 -1.2210 -1.2210 -0.8741 -0.8741 -0.8723 -0.8723 -0.8578 -0.8578 4.5588 4.5588 5.1725 5.1725 5.6186 5.6186 6.0711 6.0711 12.3035 12.3035 12.4568 12.4568 12.5764 12.5764 k = 0.0205 0.0118 0.0334 ( 1917 PWs) bands (ev): -5.8242 -5.8242 -1.2213 -1.2213 -1.2209 -1.2209 -0.8733 -0.8733 -0.8723 -0.8723 -0.8578 -0.8578 4.6327 4.6327 5.2371 5.2371 5.6217 5.6217 5.9390 5.9390 12.3891 12.3891 12.5270 12.5270 12.6380 12.6380 k = 0.0136 0.0079 0.0223 ( 1917 PWs) bands (ev): -5.8291 -5.8291 -1.2211 -1.2211 -1.2209 -1.2209 -0.8728 -0.8728 -0.8723 -0.8723 -0.8579 -0.8579 4.6844 4.6844 5.3177 5.3177 5.6241 5.6241 5.8110 5.8110 12.4662 12.4662 12.5802 12.5802 12.6404 12.6404 k = 0.0068 0.0039 0.0111 ( 1917 PWs) bands (ev): -5.8320 -5.8320 -1.2209 -1.2209 -1.2209 -1.2209 -0.8724 -0.8724 -0.8723 -0.8723 -0.8579 -0.8579 4.7143 4.7143 5.4078 5.4078 5.6256 5.6256 5.6935 5.6935 12.5339 12.5339 12.6054 12.6054 12.6415 12.6415 k = 0.0000 0.0000 0.0000 ( 1917 PWs) bands (ev): -5.8330 -5.8330 -1.2209 -1.2209 -1.2209 -1.2209 -0.8723 -0.8723 -0.8723 -0.8723 -0.8579 -0.8579 4.7240 4.7240 5.4664 5.4664 5.6261 5.6261 5.6261 5.6261 12.5799 12.5799 12.6099 12.6099 12.6099 12.6099 k = 0.0000 0.0000 0.0000 ( 1917 PWs) bands (ev): -5.8330 -5.8330 -1.2209 -1.2209 -1.2209 -1.2209 -0.8723 -0.8723 -0.8723 -0.8723 -0.8579 -0.8579 4.7240 4.7240 5.4664 5.4664 5.6261 5.6261 5.6261 5.6261 12.5799 12.5799 12.6099 12.6099 12.6099 12.6099 k = 0.0111 0.0064 0.0045 ( 1917 PWs) bands (ev): -5.8320 -5.8320 -1.2209 -1.2209 -1.2209 -1.2209 -0.8724 -0.8724 -0.8723 -0.8723 -0.8579 -0.8579 4.7143 4.7143 5.4079 5.4079 5.6261 5.6261 5.6928 5.6928 12.5332 12.5332 12.6080 12.6080 12.6374 12.6374 k = 0.0222 0.0128 0.0091 ( 1917 PWs) bands (ev): -5.8291 -5.8291 -1.2210 -1.2210 -1.2209 -1.2209 -0.8727 -0.8727 -0.8723 -0.8723 -0.8579 -0.8579 4.6843 4.6843 5.3180 5.3180 5.6261 5.6261 5.8087 5.8087 12.4621 12.4621 12.6008 12.6008 12.6122 12.6122 k = 0.0333 0.0192 0.0136 ( 1917 PWs) bands (ev): -5.8242 -5.8242 -1.2213 -1.2213 -1.2210 -1.2210 -0.8733 -0.8733 -0.8724 -0.8724 -0.8578 -0.8578 4.6316 4.6316 5.2383 5.2383 5.6262 5.6262 5.9343 5.9343 12.3797 12.3797 12.5607 12.5607 12.5832 12.5832 k = 0.0444 0.0257 0.0181 ( 1917 PWs) bands (ev): -5.8174 -5.8174 -1.2216 -1.2216 -1.2210 -1.2210 -0.8740 -0.8740 -0.8724 -0.8724 -0.8578 -0.8578 4.5555 4.5555 5.1764 5.1764 5.6263 5.6263 6.0629 6.0629 12.2889 12.2889 12.4935 12.4935 12.5476 12.5476 k = 0.0556 0.0321 0.0227 ( 1923 PWs) bands (ev): -5.8087 -5.8087 -1.2220 -1.2220 -1.2212 -1.2212 -0.8750 -0.8750 -0.8725 -0.8725 -0.8577 -0.8577 4.4584 4.4584 5.1319 5.1319 5.6264 5.6264 6.1921 6.1921 12.1918 12.1918 12.4139 12.4139 12.4897 12.4897 k = 0.0667 0.0385 0.0272 ( 1926 PWs) bands (ev): -5.7980 -5.7980 -1.2225 -1.2225 -1.2213 -1.2213 -0.8761 -0.8761 -0.8725 -0.8725 -0.8576 -0.8576 4.3451 4.3451 5.1015 5.1015 5.6266 5.6266 6.3208 6.3208 12.0903 12.0903 12.3245 12.3245 12.4118 12.4118 k = 0.0778 0.0449 0.0318 ( 1919 PWs) bands (ev): -5.7855 -5.7855 -1.2231 -1.2231 -1.2215 -1.2215 -0.8774 -0.8774 -0.8725 -0.8725 -0.8574 -0.8574 4.2204 4.2204 5.0810 5.0810 5.6269 5.6269 6.4479 6.4479 11.9858 11.9858 12.2276 12.2276 12.3192 12.3192 k = 0.0889 0.0513 0.0363 ( 1925 PWs) bands (ev): -5.7711 -5.7711 -1.2238 -1.2238 -1.2217 -1.2217 -0.8790 -0.8790 -0.8726 -0.8726 -0.8572 -0.8572 4.0883 4.0883 5.0671 5.0671 5.6273 5.6273 6.5730 6.5730 11.8794 11.8794 12.1252 12.1252 12.2168 12.2168 k = 0.1000 0.0577 0.0408 ( 1913 PWs) bands (ev): -5.7549 -5.7549 -1.2246 -1.2246 -1.2218 -1.2218 -0.8806 -0.8806 -0.8726 -0.8726 -0.8570 -0.8570 3.9513 3.9513 5.0576 5.0576 5.6278 5.6278 6.6955 6.6955 11.7720 11.7720 12.0188 12.0188 12.1080 12.1080 k = 0.1111 0.0642 0.0454 ( 1913 PWs) bands (ev): -5.7369 -5.7369 -1.2254 -1.2254 -1.2221 -1.2221 -0.8825 -0.8825 -0.8726 -0.8726 -0.8568 -0.8568 3.8112 3.8112 5.0512 5.0512 5.6284 5.6284 6.8148 6.8148 11.6641 11.6641 11.9098 11.9098 11.9951 11.9951 k = 0.1222 0.0706 0.0499 ( 1919 PWs) bands (ev): -5.7171 -5.7171 -1.2264 -1.2264 -1.2224 -1.2224 -0.8846 -0.8846 -0.8727 -0.8727 -0.8566 -0.8566 3.6693 3.6693 5.0470 5.0470 5.6292 5.6292 6.9307 6.9307 11.5564 11.5564 11.7993 11.7993 11.8797 11.8797 k = 0.1333 0.0770 0.0544 ( 1928 PWs) bands (ev): -5.6956 -5.6956 -1.2274 -1.2274 -1.2228 -1.2228 -0.8868 -0.8868 -0.8727 -0.8727 -0.8564 -0.8564 3.5264 3.5264 5.0444 5.0444 5.6302 5.6302 7.0428 7.0428 11.4491 11.4491 11.6881 11.6881 11.7632 11.7632 k = 0.1444 0.0834 0.0590 ( 1934 PWs) bands (ev): -5.6724 -5.6724 -1.2286 -1.2286 -1.2232 -1.2232 -0.8892 -0.8892 -0.8728 -0.8728 -0.8562 -0.8562 3.3832 3.3832 5.0430 5.0430 5.6314 5.6314 7.1508 7.1508 11.3427 11.3427 11.5770 11.5770 11.6463 11.6463 k = 0.1556 0.0898 0.0635 ( 1931 PWs) bands (ev): -5.6476 -5.6476 -1.2297 -1.2297 -1.2236 -1.2236 -0.8918 -0.8918 -0.8727 -0.8727 -0.8559 -0.8559 3.2402 3.2402 5.0426 5.0426 5.6328 5.6328 7.2543 7.2543 11.2373 11.2373 11.4665 11.4665 11.5298 11.5298 k = 0.1667 0.0962 0.0680 ( 1931 PWs) bands (ev): -5.6213 -5.6213 -1.2310 -1.2310 -1.2241 -1.2241 -0.8944 -0.8944 -0.8727 -0.8727 -0.8556 -0.8556 3.0977 3.0977 5.0430 5.0430 5.6345 5.6345 7.3531 7.3531 11.1333 11.1333 11.3570 11.3570 11.4142 11.4142 k = 0.1778 0.1026 0.0726 ( 1931 PWs) bands (ev): -5.5935 -5.5935 -1.2323 -1.2323 -1.2246 -1.2246 -0.8972 -0.8972 -0.8727 -0.8727 -0.8554 -0.8554 2.9563 2.9563 5.0441 5.0441 5.6364 5.6364 7.4471 7.4471 11.0307 11.0307 11.2490 11.2490 11.2999 11.2999 k = 0.1889 0.1091 0.0771 ( 1931 PWs) bands (ev): -5.5643 -5.5643 -1.2337 -1.2337 -1.2252 -1.2252 -0.9001 -0.9001 -0.8726 -0.8726 -0.8551 -0.8551 2.8161 2.8161 5.0457 5.0457 5.6386 5.6386 7.5360 7.5360 10.9298 10.9298 11.1427 11.1427 11.1874 11.1874 k = 0.2000 0.1155 0.0816 ( 1937 PWs) bands (ev): -5.5337 -5.5337 -1.2352 -1.2352 -1.2259 -1.2259 -0.9031 -0.9031 -0.8726 -0.8726 -0.8549 -0.8549 2.6775 2.6775 5.0478 5.0478 5.6411 5.6411 7.6199 7.6199 10.8307 10.8307 11.0385 11.0385 11.0768 11.0768 k = 0.2111 0.1219 0.0862 ( 1928 PWs) bands (ev): -5.5019 -5.5019 -1.2367 -1.2367 -1.2266 -1.2266 -0.9062 -0.9062 -0.8724 -0.8724 -0.8547 -0.8547 2.5407 2.5407 5.0504 5.0504 5.6439 5.6439 7.6985 7.6985 10.7336 10.7336 10.9364 10.9364 10.9685 10.9685 k = 0.2222 0.1283 0.0907 ( 1928 PWs) bands (ev): -5.4689 -5.4689 -1.2382 -1.2382 -1.2274 -1.2274 -0.9094 -0.9094 -0.8723 -0.8723 -0.8545 -0.8545 2.4060 2.4060 5.0535 5.0535 5.6471 5.6471 7.7720 7.7720 10.6386 10.6386 10.8368 10.8368 10.8627 10.8627 k = 0.2333 0.1347 0.0953 ( 1928 PWs) bands (ev): -5.4350 -5.4350 -1.2398 -1.2398 -1.2282 -1.2282 -0.9127 -0.9127 -0.8721 -0.8721 -0.8544 -0.8544 2.2737 2.2737 5.0569 5.0569 5.6505 5.6505 7.8404 7.8404 10.5458 10.5458 10.7397 10.7397 10.7595 10.7595 k = 0.2444 0.1411 0.0998 ( 1928 PWs) bands (ev): -5.4000 -5.4000 -1.2414 -1.2414 -1.2291 -1.2291 -0.9161 -0.9161 -0.8719 -0.8719 -0.8543 -0.8543 2.1440 2.1440 5.0606 5.0606 5.6542 5.6542 7.9037 7.9037 10.4555 10.4555 10.6452 10.6452 10.6592 10.6592 k = 0.2556 0.1475 0.1043 ( 1928 PWs) bands (ev): -5.3643 -5.3643 -1.2431 -1.2431 -1.2301 -1.2301 -0.9196 -0.9196 -0.8717 -0.8717 -0.8542 -0.8542 2.0171 2.0171 5.0647 5.0647 5.6583 5.6583 7.9622 7.9622 10.3678 10.3678 10.5535 10.5535 10.5618 10.5618 k = 0.2667 0.1540 0.1089 ( 1928 PWs) bands (ev): -5.3280 -5.3280 -1.2448 -1.2448 -1.2312 -1.2312 -0.9231 -0.9231 -0.8715 -0.8715 -0.8542 -0.8542 1.8933 1.8933 5.0690 5.0690 5.6626 5.6626 8.0161 8.0161 10.2828 10.2828 10.4647 10.4647 10.4676 10.4676 k = 0.2778 0.1604 0.1134 ( 1916 PWs) bands (ev): -5.2911 -5.2911 -1.2464 -1.2464 -1.2323 -1.2323 -0.9267 -0.9267 -0.8712 -0.8712 -0.8542 -0.8542 1.7729 1.7729 5.0736 5.0736 5.6672 5.6672 8.0656 8.0656 10.2007 10.2007 10.3767 10.3767 10.3787 10.3787 k = 0.2889 0.1668 0.1179 ( 1910 PWs) bands (ev): -5.2539 -5.2539 -1.2481 -1.2481 -1.2334 -1.2334 -0.9304 -0.9304 -0.8710 -0.8710 -0.8542 -0.8542 1.6561 1.6561 5.0783 5.0783 5.6720 5.6720 8.1109 8.1109 10.1215 10.1215 10.2892 10.2892 10.2958 10.2958 k = 0.3000 0.1732 0.1225 ( 1916 PWs) bands (ev): -5.2165 -5.2165 -1.2497 -1.2497 -1.2347 -1.2347 -0.9341 -0.9341 -0.8707 -0.8707 -0.8544 -0.8544 1.5432 1.5432 5.0833 5.0833 5.6771 5.6771 8.1523 8.1523 10.0456 10.0456 10.2052 10.2052 10.2160 10.2160 k = 0.3111 0.1796 0.1270 ( 1916 PWs) bands (ev): -5.1791 -5.1791 -1.2514 -1.2514 -1.2361 -1.2361 -0.9380 -0.9380 -0.8704 -0.8704 -0.8546 -0.8546 1.4344 1.4344 5.0884 5.0884 5.6823 5.6823 8.1902 8.1902 9.9729 9.9729 10.1249 10.1249 10.1392 10.1392 k = 0.3222 0.1860 0.1315 ( 1913 PWs) bands (ev): -5.1419 -5.1419 -1.2530 -1.2530 -1.2375 -1.2375 -0.9418 -0.9418 -0.8701 -0.8701 -0.8548 -0.8548 1.3301 1.3301 5.0935 5.0935 5.6876 5.6876 8.2248 8.2248 9.9038 9.9038 10.0484 10.0484 10.0657 10.0657 k = 0.3333 0.1925 0.1361 ( 1922 PWs) bands (ev): -5.1052 -5.1052 -1.2546 -1.2546 -1.2391 -1.2391 -0.9458 -0.9458 -0.8698 -0.8698 -0.8552 -0.8552 1.2304 1.2304 5.0987 5.0987 5.6931 5.6931 8.2564 8.2564 9.8382 9.8382 9.9758 9.9758 9.9954 9.9954 k = 0.3444 0.1989 0.1406 ( 1913 PWs) bands (ev): -5.0690 -5.0690 -1.2561 -1.2561 -1.2406 -1.2406 -0.9497 -0.9497 -0.8695 -0.8695 -0.8555 -0.8555 1.1356 1.1356 5.1039 5.1039 5.6986 5.6986 8.2853 8.2853 9.7764 9.7764 9.9072 9.9072 9.9284 9.9284 k = 0.3556 0.2053 0.1452 ( 1916 PWs) bands (ev): -5.0338 -5.0338 -1.2576 -1.2576 -1.2422 -1.2422 -0.9537 -0.9537 -0.8692 -0.8692 -0.8559 -0.8559 1.0460 1.0460 5.1091 5.1091 5.7041 5.7041 8.3117 8.3117 9.7184 9.7184 9.8427 9.8427 9.8649 9.8649 k = 0.3667 0.2117 0.1497 ( 1916 PWs) bands (ev): -4.9997 -4.9997 -1.2590 -1.2590 -1.2439 -1.2439 -0.9577 -0.9577 -0.8689 -0.8689 -0.8564 -0.8564 0.9619 0.9619 5.1141 5.1141 5.7095 5.7095 8.3358 8.3358 9.6645 9.6645 9.7824 9.7824 9.8048 9.8048 k = 0.3778 0.2181 0.1542 ( 1916 PWs) bands (ev): -4.9670 -4.9670 -1.2603 -1.2603 -1.2455 -1.2455 -0.9616 -0.9616 -0.8686 -0.8686 -0.8569 -0.8569 0.8836 0.8836 5.1190 5.1190 5.7148 5.7148 8.3578 8.3578 9.6148 9.6148 9.7265 9.7265 9.7483 9.7483 k = 0.3889 0.2245 0.1588 ( 1916 PWs) bands (ev): -4.9360 -4.9360 -1.2615 -1.2615 -1.2472 -1.2472 -0.9655 -0.9655 -0.8683 -0.8683 -0.8574 -0.8574 0.8112 0.8112 5.1236 5.1236 5.7199 5.7199 8.3779 8.3779 9.5693 9.5693 9.6751 9.6751 9.6954 9.6954 k = 0.4000 0.2309 0.1633 ( 1925 PWs) bands (ev): -4.9068 -4.9068 -1.2627 -1.2627 -1.2489 -1.2489 -0.9693 -0.9693 -0.8681 -0.8681 -0.8580 -0.8580 0.7451 0.7451 5.1280 5.1280 5.7247 5.7247 8.3961 8.3961 9.5283 9.5283 9.6281 9.6281 9.6464 9.6464 k = 0.4111 0.2374 0.1678 ( 1931 PWs) bands (ev): -4.8798 -4.8798 -1.2638 -1.2638 -1.2506 -1.2506 -0.9730 -0.9730 -0.8679 -0.8679 -0.8585 -0.8585 0.6853 0.6853 5.1321 5.1321 5.7293 5.7293 8.4125 8.4125 9.4918 9.4918 9.5859 9.5859 9.6013 9.6013 k = 0.4222 0.2438 0.1724 ( 1925 PWs) bands (ev): -4.8553 -4.8553 -1.2647 -1.2647 -1.2522 -1.2522 -0.9764 -0.9764 -0.8676 -0.8676 -0.8590 -0.8590 0.6322 0.6322 5.1359 5.1359 5.7334 5.7334 8.4272 8.4272 9.4600 9.4600 9.5484 9.5484 9.5603 9.5603 k = 0.4333 0.2502 0.1769 ( 1925 PWs) bands (ev): -4.8335 -4.8335 -1.2655 -1.2655 -1.2536 -1.2536 -0.9796 -0.9796 -0.8674 -0.8674 -0.8594 -0.8594 0.5858 0.5858 5.1392 5.1392 5.7372 5.7372 8.4402 8.4402 9.4328 9.4328 9.5157 9.5157 9.5236 9.5236 k = 0.4444 0.2566 0.1814 ( 1925 PWs) bands (ev): -4.8145 -4.8145 -1.2662 -1.2662 -1.2550 -1.2550 -0.9824 -0.9824 -0.8673 -0.8673 -0.8599 -0.8599 0.5464 0.5464 5.1421 5.1421 5.7405 5.7405 8.4513 8.4513 9.4104 9.4104 9.4878 9.4878 9.4914 9.4914 k = 0.4556 0.2630 0.1860 ( 1925 PWs) bands (ev): -4.7987 -4.7987 -1.2668 -1.2668 -1.2561 -1.2561 -0.9848 -0.9848 -0.8671 -0.8671 -0.8602 -0.8602 0.5139 0.5139 5.1445 5.1445 5.7432 5.7432 8.4606 8.4606 9.3927 9.3927 9.4640 9.4640 9.4650 9.4650 k = 0.4667 0.2694 0.1905 ( 1925 PWs) bands (ev): -4.7862 -4.7862 -1.2673 -1.2673 -1.2571 -1.2571 -0.9868 -0.9868 -0.8670 -0.8670 -0.8605 -0.8605 0.4886 0.4886 5.1465 5.1465 5.7454 5.7454 8.4679 8.4679 9.3795 9.3795 9.4418 9.4418 9.4472 9.4472 k = 0.4778 0.2758 0.1951 ( 1925 PWs) bands (ev): -4.7772 -4.7772 -1.2676 -1.2676 -1.2578 -1.2578 -0.9882 -0.9882 -0.8669 -0.8669 -0.8608 -0.8608 0.4705 0.4705 5.1479 5.1479 5.7470 5.7470 8.4732 8.4732 9.3707 9.3707 9.4252 9.4252 9.4344 9.4344 k = 0.4889 0.2823 0.1996 ( 1916 PWs) bands (ev): -4.7717 -4.7717 -1.2678 -1.2678 -1.2581 -1.2581 -0.9891 -0.9891 -0.8668 -0.8668 -0.8609 -0.8609 0.4596 0.4596 5.1487 5.1487 5.7479 5.7479 8.4764 8.4764 9.3657 9.3657 9.4149 9.4149 9.4267 9.4267 k = 0.5000 0.2887 0.2041 ( 1916 PWs) bands (ev): -4.7699 -4.7699 -1.2679 -1.2679 -1.2583 -1.2583 -0.9893 -0.9893 -0.8668 -0.8668 -0.8609 -0.8609 0.4560 0.4560 5.1490 5.1490 5.7482 5.7482 8.4775 8.4775 9.3642 9.3642 9.4114 9.4114 9.4242 9.4242 k = 0.5000 0.2887 0.2041 ( 1916 PWs) bands (ev): -4.7699 -4.7699 -1.2679 -1.2679 -1.2583 -1.2583 -0.9893 -0.9893 -0.8668 -0.8668 -0.8609 -0.8609 0.4560 0.4560 5.1490 5.1490 5.7482 5.7482 8.4775 8.4775 9.3642 9.3642 9.4114 9.4114 9.4242 9.4242 k = 0.5039 0.2774 0.2105 ( 1916 PWs) bands (ev): -4.7695 -4.7695 -1.2677 -1.2677 -1.2581 -1.2581 -0.9891 -0.9891 -0.8667 -0.8667 -0.8609 -0.8609 0.4572 0.4572 5.1431 5.1431 5.7407 5.7407 8.4871 8.4871 9.2349 9.2349 9.3990 9.3990 9.5757 9.5757 k = 0.5078 0.2661 0.2169 ( 1916 PWs) bands (ev): -4.7684 -4.7684 -1.2673 -1.2673 -1.2576 -1.2576 -0.9884 -0.9884 -0.8665 -0.8665 -0.8608 -0.8608 0.4607 0.4607 5.1252 5.1252 5.7185 5.7185 8.5150 8.5150 9.0778 9.0778 9.4131 9.4131 9.7492 9.7492 k = 0.5117 0.2548 0.2233 ( 1918 PWs) bands (ev): -4.7666 -4.7666 -1.2667 -1.2667 -1.2567 -1.2567 -0.9872 -0.9872 -0.8661 -0.8661 -0.8606 -0.8606 0.4666 0.4666 5.0951 5.0951 5.6837 5.6837 8.5566 8.5566 8.9292 8.9292 9.4369 9.4369 9.9277 9.9277 k = 0.5156 0.2436 0.2296 ( 1916 PWs) bands (ev): -4.7640 -4.7640 -1.2659 -1.2659 -1.2554 -1.2554 -0.9855 -0.9855 -0.8656 -0.8656 -0.8602 -0.8602 0.4749 0.4749 5.0525 5.0525 5.6386 5.6386 8.5930 8.5930 8.8072 8.8072 9.4700 9.4700 10.1104 10.1104 k = 0.5195 0.2323 0.2360 ( 1918 PWs) bands (ev): -4.7607 -4.7607 -1.2651 -1.2651 -1.2537 -1.2537 -0.9834 -0.9834 -0.8649 -0.8649 -0.8598 -0.8598 0.4856 0.4856 4.9971 4.9971 5.5861 5.5861 8.5502 8.5502 8.7836 8.7836 9.5120 9.5120 10.2966 10.2966 k = 0.5234 0.2210 0.2424 ( 1920 PWs) bands (ev): -4.7567 -4.7567 -1.2641 -1.2641 -1.2514 -1.2514 -0.9810 -0.9810 -0.8641 -0.8641 -0.8593 -0.8593 0.4988 0.4988 4.9289 4.9289 5.5290 5.5290 8.4314 8.4314 8.8532 8.8532 9.5625 9.5625 10.4861 10.4861 k = 0.5273 0.2097 0.2488 ( 1923 PWs) bands (ev): -4.7521 -4.7521 -1.2631 -1.2631 -1.2487 -1.2487 -0.9781 -0.9781 -0.8631 -0.8631 -0.8586 -0.8586 0.5143 0.5143 4.8484 4.8484 5.4696 5.4696 8.2989 8.2989 8.9513 8.9513 9.6210 9.6210 10.6783 10.6783 k = 0.5312 0.1985 0.2552 ( 1921 PWs) bands (ev): -4.7468 -4.7468 -1.2621 -1.2621 -1.2455 -1.2455 -0.9749 -0.9749 -0.8620 -0.8620 -0.8578 -0.8578 0.5324 0.5324 4.7564 4.7564 5.4094 5.4094 8.1661 8.1661 9.0626 9.0626 9.6871 9.6871 10.8727 10.8727 k = 0.5352 0.1872 0.2615 ( 1925 PWs) bands (ev): -4.7410 -4.7410 -1.2611 -1.2611 -1.2419 -1.2419 -0.9714 -0.9714 -0.8608 -0.8608 -0.8567 -0.8567 0.5530 0.5530 4.6544 4.6544 5.3492 5.3492 8.0358 8.0358 9.1824 9.1824 9.7603 9.7603 11.0688 11.0688 k = 0.5391 0.1759 0.2679 ( 1927 PWs) bands (ev): -4.7345 -4.7345 -1.2600 -1.2600 -1.2378 -1.2378 -0.9676 -0.9676 -0.8595 -0.8595 -0.8554 -0.8554 0.5761 0.5761 4.5439 4.5439 5.2896 5.2896 7.9088 7.9088 9.3085 9.3085 9.8401 9.8401 11.2658 11.2658 k = 0.5430 0.1646 0.2743 ( 1926 PWs) bands (ev): -4.7276 -4.7276 -1.2589 -1.2589 -1.2334 -1.2334 -0.9636 -0.9636 -0.8582 -0.8582 -0.8536 -0.8536 0.6017 0.6017 4.4265 4.4265 5.2305 5.2305 7.7853 7.7853 9.4390 9.4390 9.9261 9.9261 11.4630 11.4630 k = 0.5469 0.1534 0.2807 ( 1926 PWs) bands (ev): -4.7202 -4.7202 -1.2578 -1.2578 -1.2286 -1.2286 -0.9595 -0.9595 -0.8569 -0.8569 -0.8514 -0.8514 0.6300 0.6300 4.3039 4.3039 5.1720 5.1720 7.6655 7.6655 9.5726 9.5726 10.0176 10.0176 11.6592 11.6592 k = 0.5508 0.1421 0.2870 ( 1926 PWs) bands (ev): -4.7123 -4.7123 -1.2566 -1.2566 -1.2236 -1.2236 -0.9554 -0.9554 -0.8556 -0.8556 -0.8488 -0.8488 0.6610 0.6610 4.1774 4.1774 5.1141 5.1141 7.5493 7.5493 9.7081 9.7081 10.1144 10.1144 11.8534 11.8534 k = 0.5547 0.1308 0.2934 ( 1928 PWs) bands (ev): -4.7041 -4.7041 -1.2554 -1.2554 -1.2183 -1.2183 -0.9512 -0.9512 -0.8543 -0.8543 -0.8456 -0.8456 0.6946 0.6946 4.0483 4.0483 5.0568 5.0568 7.4368 7.4368 9.8444 9.8444 10.2159 10.2159 12.0442 12.0442 k = 0.5586 0.1195 0.2998 ( 1928 PWs) bands (ev): -4.6956 -4.6956 -1.2542 -1.2542 -1.2128 -1.2128 -0.9471 -0.9471 -0.8529 -0.8529 -0.8420 -0.8420 0.7308 0.7308 3.9177 3.9177 5.0000 5.0000 7.3278 7.3278 9.9805 9.9805 10.3218 10.3218 12.2300 12.2300 k = 0.5625 0.1083 0.3062 ( 1934 PWs) bands (ev): -4.6869 -4.6869 -1.2530 -1.2530 -1.2071 -1.2071 -0.9432 -0.9432 -0.8515 -0.8515 -0.8379 -0.8379 0.7698 0.7698 3.7863 3.7863 4.9439 4.9439 7.2222 7.2222 10.1153 10.1153 10.4316 10.4316 12.4087 12.4087 k = 0.5664 0.0970 0.3126 ( 1926 PWs) bands (ev): -4.6780 -4.6780 -1.2517 -1.2517 -1.2013 -1.2013 -0.9393 -0.9393 -0.8501 -0.8501 -0.8332 -0.8332 0.8115 0.8115 3.6551 3.6551 4.8885 4.8885 7.1200 7.1200 10.2479 10.2479 10.5447 10.5447 12.5780 12.5780 k = 0.5703 0.0857 0.3189 ( 1924 PWs) bands (ev): -4.6691 -4.6691 -1.2505 -1.2505 -1.1954 -1.1954 -0.9356 -0.9356 -0.8486 -0.8486 -0.8280 -0.8280 0.8560 0.8560 3.5248 3.5248 4.8340 4.8340 7.0211 7.0211 10.3773 10.3773 10.6604 10.6604 12.7349 12.7349 k = 0.5742 0.0744 0.3253 ( 1930 PWs) bands (ev): -4.6601 -4.6601 -1.2492 -1.2492 -1.1896 -1.1896 -0.9322 -0.9322 -0.8472 -0.8472 -0.8223 -0.8223 0.9031 0.9031 3.3959 3.3959 4.7804 4.7804 6.9254 6.9254 10.5027 10.5027 10.7778 10.7778 12.8755 12.8755 k = 0.5781 0.0631 0.3317 ( 1930 PWs) bands (ev): -4.6512 -4.6512 -1.2479 -1.2479 -1.1838 -1.1838 -0.9290 -0.9290 -0.8457 -0.8457 -0.8161 -0.8161 0.9529 0.9529 3.2691 3.2691 4.7279 4.7279 6.8328 6.8328 10.6232 10.6232 10.8956 10.8956 12.9946 12.9946 k = 0.5820 0.0519 0.3381 ( 1920 PWs) bands (ev): -4.6425 -4.6425 -1.2466 -1.2466 -1.1780 -1.1780 -0.9261 -0.9261 -0.8441 -0.8441 -0.8093 -0.8093 1.0053 1.0053 3.1449 3.1449 4.6766 4.6766 6.7433 6.7433 10.7379 10.7379 11.0126 11.0126 13.0849 13.0849 k = 0.5859 0.0406 0.3445 ( 1920 PWs) bands (ev): -4.6340 -4.6340 -1.2453 -1.2453 -1.1723 -1.1723 -0.9233 -0.9233 -0.8426 -0.8426 -0.8023 -0.8023 1.0603 1.0603 3.0238 3.0238 4.6266 4.6266 6.6567 6.6567 10.8457 10.8457 11.1272 11.1272 13.1386 13.1386 k = 0.5898 0.0293 0.3508 ( 1918 PWs) bands (ev): -4.6258 -4.6258 -1.2440 -1.2440 -1.1668 -1.1668 -0.9208 -0.9208 -0.8411 -0.8411 -0.7949 -0.7949 1.1178 1.1178 2.9064 2.9064 4.5781 4.5781 6.5730 6.5730 10.9449 10.9449 11.2382 11.2382 13.1547 13.1547 k = 0.5938 0.0180 0.3572 ( 1920 PWs) bands (ev): -4.6181 -4.6181 -1.2428 -1.2428 -1.1615 -1.1615 -0.9184 -0.9184 -0.8396 -0.8396 -0.7873 -0.7873 1.1776 1.1776 2.7932 2.7932 4.5311 4.5311 6.4922 6.4922 11.0334 11.0334 11.3449 11.3449 13.1454 13.1454 k = 0.5977 0.0068 0.3636 ( 1916 PWs) bands (ev): -4.6109 -4.6109 -1.2416 -1.2416 -1.1564 -1.1564 -0.9162 -0.9162 -0.8382 -0.8382 -0.7796 -0.7796 1.2396 1.2396 2.6847 2.6847 4.4857 4.4857 6.4141 6.4141 11.1085 11.1085 11.4469 11.4469 13.1271 13.1271 k = 0.6016-0.0045 0.3700 ( 1915 PWs) bands (ev): -4.6044 -4.6044 -1.2403 -1.2403 -1.1517 -1.1517 -0.9141 -0.9141 -0.8368 -0.8368 -0.7719 -0.7719 1.3033 1.3033 2.5817 2.5817 4.4421 4.4421 6.3387 6.3387 11.1672 11.1672 11.5447 11.5447 13.1111 13.1111 k = 0.6055-0.0158 0.3764 ( 1911 PWs) bands (ev): -4.5986 -4.5986 -1.2391 -1.2391 -1.1472 -1.1472 -0.9122 -0.9122 -0.8354 -0.8354 -0.7642 -0.7642 1.3684 1.3684 2.4850 2.4850 4.4004 4.4004 6.2660 6.2660 11.2072 11.2072 11.6392 11.6392 13.1028 13.1028 k = 0.6094-0.0271 0.3827 ( 1913 PWs) bands (ev): -4.5936 -4.5936 -1.2380 -1.2380 -1.1431 -1.1431 -0.9103 -0.9103 -0.8342 -0.8342 -0.7569 -0.7569 1.4340 1.4340 2.3956 2.3956 4.3606 4.3606 6.1959 6.1959 11.2277 11.2277 11.7310 11.7310 13.1034 13.1034 k = 0.6133-0.0383 0.3891 ( 1912 PWs) bands (ev): -4.5896 -4.5896 -1.2368 -1.2368 -1.1394 -1.1394 -0.9085 -0.9085 -0.8330 -0.8330 -0.7500 -0.7500 1.4991 1.4991 2.3151 2.3151 4.3228 4.3228 6.1283 6.1283 11.2295 11.2295 11.8204 11.8204 13.1117 13.1117 k = 0.6172-0.0496 0.3955 ( 1916 PWs) bands (ev): -4.5866 -4.5866 -1.2357 -1.2357 -1.1361 -1.1361 -0.9068 -0.9068 -0.8319 -0.8319 -0.7436 -0.7436 1.5615 1.5615 2.2457 2.2457 4.2870 4.2870 6.0633 6.0633 11.2146 11.2146 11.9074 11.9074 13.1247 13.1247 k = 0.6211-0.0609 0.4019 ( 1912 PWs) bands (ev): -4.5847 -4.5847 -1.2346 -1.2346 -1.1332 -1.1332 -0.9051 -0.9051 -0.8308 -0.8308 -0.7380 -0.7380 1.6178 1.6178 2.1911 2.1911 4.2535 4.2535 6.0008 6.0008 11.1860 11.1860 11.9915 11.9915 13.1395 13.1395 k = 0.6250-0.0722 0.4082 ( 1906 PWs) bands (ev): -4.5840 -4.5840 -1.2336 -1.2336 -1.1307 -1.1307 -0.9035 -0.9035 -0.8299 -0.8299 -0.7332 -0.7332 1.6628 1.6628 2.1570 2.1570 4.2221 4.2221 5.9407 5.9407 11.1467 11.1467 12.0724 12.0724 13.1534 13.1534 k = 0.6250-0.0722 0.4082 ( 1906 PWs) bands (ev): -4.5840 -4.5840 -1.2336 -1.2336 -1.1307 -1.1307 -0.9035 -0.9035 -0.8299 -0.8299 -0.7332 -0.7332 1.6628 1.6628 2.1570 2.1570 4.2221 4.2221 5.9407 5.9407 11.1467 11.1467 12.0724 12.0724 13.1534 13.1534 k = 0.6184-0.0684 0.4190 ( 1916 PWs) bands (ev): -4.5838 -4.5838 -1.2337 -1.2337 -1.1307 -1.1307 -0.9035 -0.9035 -0.8300 -0.8300 -0.7330 -0.7330 1.6640 1.6640 2.1581 2.1581 4.2083 4.2083 5.9554 5.9554 11.1451 11.1451 12.0522 12.0522 13.1791 13.1791 k = 0.6118-0.0646 0.4297 ( 1916 PWs) bands (ev): -4.5833 -4.5833 -1.2338 -1.2338 -1.1306 -1.1306 -0.9036 -0.9036 -0.8302 -0.8302 -0.7325 -0.7325 1.6678 1.6678 2.1614 2.1614 4.1682 4.1682 5.9980 5.9980 11.1396 11.1396 11.9983 11.9983 13.2504 13.2504 k = 0.6053-0.0608 0.4405 ( 1913 PWs) bands (ev): -4.5824 -4.5824 -1.2340 -1.2340 -1.1305 -1.1305 -0.9036 -0.9036 -0.8306 -0.8306 -0.7316 -0.7316 1.6740 1.6740 2.1668 2.1668 4.1058 4.1058 6.0645 6.0645 11.1280 11.1280 11.9252 11.9252 13.3541 13.3541 k = 0.5987-0.0570 0.4512 ( 1917 PWs) bands (ev): -4.5811 -4.5811 -1.2343 -1.2343 -1.1302 -1.1302 -0.9038 -0.9038 -0.8311 -0.8311 -0.7305 -0.7305 1.6827 1.6827 2.1745 2.1745 4.0257 4.0257 6.1500 6.1500 11.1066 11.1066 11.8485 11.8485 13.4771 13.4771 k = 0.5921-0.0532 0.4620 ( 1915 PWs) bands (ev): -4.5796 -4.5796 -1.2347 -1.2347 -1.1300 -1.1300 -0.9039 -0.9039 -0.8317 -0.8317 -0.7290 -0.7290 1.6938 1.6938 2.1842 2.1842 3.9326 3.9326 6.2496 6.2496 11.0708 11.0708 11.7813 11.7813 13.6059 13.6059 k = 0.5855-0.0494 0.4727 ( 1917 PWs) bands (ev): -4.5778 -4.5778 -1.2351 -1.2351 -1.1297 -1.1297 -0.9041 -0.9041 -0.8323 -0.8323 -0.7274 -0.7274 1.7074 1.7074 2.1961 2.1961 3.8305 3.8305 6.3591 6.3591 11.0164 11.0164 11.7329 11.7329 13.7129 13.7129 k = 0.5789-0.0456 0.4835 ( 1911 PWs) bands (ev): -4.5757 -4.5757 -1.2356 -1.2356 -1.1293 -1.1293 -0.9042 -0.9042 -0.8330 -0.8330 -0.7255 -0.7255 1.7232 1.7232 2.2100 2.2100 3.7225 3.7225 6.4748 6.4748 10.9429 10.9429 11.7080 11.7080 13.7323 13.7323 k = 0.5724-0.0418 0.4942 ( 1913 PWs) bands (ev): -4.5735 -4.5735 -1.2361 -1.2361 -1.1289 -1.1289 -0.9044 -0.9044 -0.8337 -0.8337 -0.7235 -0.7235 1.7414 1.7414 2.2259 2.2259 3.6112 3.6112 6.5937 6.5937 10.8537 10.8537 11.7057 11.7057 13.6764 13.6764 k = 0.5658-0.0380 0.5049 ( 1915 PWs) bands (ev): -4.5710 -4.5710 -1.2367 -1.2367 -1.1285 -1.1285 -0.9047 -0.9047 -0.8345 -0.8345 -0.7214 -0.7214 1.7617 1.7617 2.2438 2.2438 3.4984 3.4984 6.7132 6.7132 10.7542 10.7542 11.7226 11.7226 13.5949 13.5949 k = 0.5592-0.0342 0.5157 ( 1915 PWs) bands (ev): -4.5685 -4.5685 -1.2372 -1.2372 -1.1280 -1.1280 -0.9049 -0.9049 -0.8351 -0.8351 -0.7193 -0.7193 1.7840 1.7840 2.2634 2.2634 3.3859 3.3859 6.8310 6.8310 10.6501 10.6501 11.7552 11.7552 13.5020 13.5020 k = 0.5526-0.0304 0.5264 ( 1919 PWs) bands (ev): -4.5659 -4.5659 -1.2378 -1.2378 -1.1276 -1.1276 -0.9052 -0.9052 -0.8357 -0.8357 -0.7172 -0.7172 1.8082 1.8082 2.2848 2.2848 3.2749 3.2749 6.9450 6.9450 10.5458 10.5458 11.8006 11.8006 13.4019 13.4019 k = 0.5461-0.0266 0.5372 ( 1915 PWs) bands (ev): -4.5633 -4.5633 -1.2383 -1.2383 -1.1272 -1.1272 -0.9055 -0.9055 -0.8363 -0.8363 -0.7152 -0.7152 1.8340 1.8340 2.3075 2.3075 3.1669 3.1669 7.0529 7.0529 10.4451 10.4451 11.8569 11.8569 13.2969 13.2969 k = 0.5395-0.0228 0.5479 ( 1915 PWs) bands (ev): -4.5609 -4.5609 -1.2388 -1.2388 -1.1267 -1.1267 -0.9058 -0.9058 -0.8367 -0.8367 -0.7133 -0.7133 1.8610 1.8610 2.3313 2.3313 3.0632 3.0632 7.1526 7.1526 10.3510 10.3510 11.9227 11.9227 13.1884 13.1884 k = 0.5329-0.0190 0.5587 ( 1911 PWs) bands (ev): -4.5585 -4.5585 -1.2392 -1.2392 -1.1263 -1.1263 -0.9060 -0.9060 -0.8371 -0.8371 -0.7115 -0.7115 1.8886 1.8886 2.3556 2.3556 2.9655 2.9655 7.2417 7.2417 10.2663 10.2663 11.9971 11.9971 13.0776 13.0776 k = 0.5263-0.0152 0.5694 ( 1909 PWs) bands (ev): -4.5564 -4.5564 -1.2396 -1.2396 -1.1260 -1.1260 -0.9062 -0.9062 -0.8374 -0.8374 -0.7099 -0.7099 1.9161 1.9161 2.3793 2.3793 2.8760 2.8760 7.3182 7.3182 10.1934 10.1934 12.0791 12.0791 12.9656 12.9656 k = 0.5197-0.0114 0.5801 ( 1911 PWs) bands (ev): -4.5547 -4.5547 -1.2399 -1.2399 -1.1257 -1.1257 -0.9064 -0.9064 -0.8376 -0.8376 -0.7087 -0.7087 1.9421 1.9421 2.4009 2.4009 2.7982 2.7982 7.3799 7.3799 10.1345 10.1345 12.1677 12.1677 12.8537 12.8537 k = 0.5132-0.0076 0.5909 ( 1910 PWs) bands (ev): -4.5533 -4.5533 -1.2401 -1.2401 -1.1255 -1.1255 -0.9066 -0.9066 -0.8378 -0.8378 -0.7077 -0.7077 1.9647 1.9647 2.4175 2.4175 2.7371 2.7371 7.4251 7.4251 10.0914 10.0914 12.2608 12.2608 12.7440 12.7440 k = 0.5066-0.0038 0.6016 ( 1912 PWs) bands (ev): -4.5524 -4.5524 -1.2403 -1.2403 -1.1253 -1.1253 -0.9067 -0.9067 -0.8379 -0.8379 -0.7070 -0.7070 1.9809 1.9809 2.4262 2.4262 2.6987 2.6987 7.4524 7.4524 10.0653 10.0653 12.3517 12.3517 12.6434 12.6434 k = 0.5000-0.0000 0.6124 ( 1912 PWs) bands (ev): -4.5521 -4.5521 -1.2403 -1.2403 -1.1253 -1.1253 -0.9067 -0.9067 -0.8379 -0.8379 -0.7068 -0.7068 1.9872 1.9872 2.4278 2.4278 2.6864 2.6864 7.4615 7.4615 10.0567 10.0567 12.4039 12.4039 12.5880 12.5880 k = 0.5000-0.0000 0.6124 ( 1912 PWs) bands (ev): -4.5521 -4.5521 -1.2403 -1.2403 -1.1253 -1.1253 -0.9067 -0.9067 -0.8379 -0.8379 -0.7068 -0.7068 1.9872 1.9872 2.4278 2.4278 2.6864 2.6864 7.4615 7.4615 10.0567 10.0567 12.4039 12.4039 12.5880 12.5880 k = 0.5000 0.0078 0.6013 ( 1912 PWs) bands (ev): -4.5525 -4.5525 -1.2403 -1.2403 -1.1255 -1.1255 -0.9068 -0.9068 -0.8380 -0.8380 -0.7074 -0.7074 1.9720 1.9720 2.4371 2.4371 2.6984 2.6984 7.4613 7.4613 10.0536 10.0536 12.4062 12.4062 12.5910 12.5910 k = 0.5000 0.0156 0.5903 ( 1908 PWs) bands (ev): -4.5537 -4.5537 -1.2404 -1.2404 -1.1261 -1.1261 -0.9070 -0.9070 -0.8381 -0.8381 -0.7092 -0.7092 1.9312 1.9312 2.4611 2.4611 2.7336 2.7336 7.4607 7.4607 10.0445 10.0445 12.4131 12.4131 12.5997 12.5997 k = 0.5000 0.0234 0.5793 ( 1912 PWs) bands (ev): -4.5558 -4.5558 -1.2406 -1.2406 -1.1273 -1.1273 -0.9073 -0.9073 -0.8384 -0.8384 -0.7121 -0.7121 1.8737 1.8737 2.4930 2.4930 2.7895 2.7895 7.4596 7.4596 10.0295 10.0295 12.4241 12.4241 12.6139 12.6139 k = 0.5000 0.0312 0.5682 ( 1914 PWs) bands (ev): -4.5586 -4.5586 -1.2409 -1.2409 -1.1288 -1.1288 -0.9078 -0.9078 -0.8388 -0.8388 -0.7161 -0.7161 1.8071 1.8071 2.5296 2.5296 2.8619 2.8619 7.4584 7.4584 10.0092 10.0092 12.4383 12.4383 12.6327 12.6327 k = 0.5000 0.0390 0.5572 ( 1920 PWs) bands (ev): -4.5623 -4.5623 -1.2412 -1.2412 -1.1308 -1.1308 -0.9084 -0.9084 -0.8392 -0.8392 -0.7211 -0.7211 1.7359 1.7359 2.5704 2.5704 2.9465 2.9465 7.4569 7.4569 9.9839 9.9839 12.4547 12.4547 12.6553 12.6553 k = 0.5000 0.0468 0.5462 ( 1918 PWs) bands (ev): -4.5666 -4.5666 -1.2416 -1.2416 -1.1332 -1.1332 -0.9091 -0.9091 -0.8398 -0.8398 -0.7269 -0.7269 1.6627 1.6627 2.6158 2.6158 3.0399 3.0399 7.4554 7.4554 9.9541 9.9541 12.4714 12.4714 12.6808 12.6808 k = 0.5000 0.0546 0.5351 ( 1918 PWs) bands (ev): -4.5717 -4.5717 -1.2421 -1.2421 -1.1360 -1.1360 -0.9100 -0.9100 -0.8404 -0.8404 -0.7335 -0.7335 1.5892 1.5892 2.6665 2.6665 3.1395 3.1395 7.4542 7.4542 9.9205 9.9205 12.4860 12.4860 12.7078 12.7078 k = 0.5000 0.0624 0.5241 ( 1916 PWs) bands (ev): -4.5775 -4.5775 -1.2426 -1.2426 -1.1392 -1.1392 -0.9110 -0.9110 -0.8411 -0.8411 -0.7407 -0.7407 1.5164 1.5164 2.7227 2.7227 3.2438 3.2438 7.4533 7.4533 9.8837 9.8837 12.4949 12.4949 12.7357 12.7357 k = 0.5000 0.0702 0.5131 ( 1914 PWs) bands (ev): -4.5838 -4.5838 -1.2431 -1.2431 -1.1429 -1.1429 -0.9121 -0.9121 -0.8419 -0.8419 -0.7484 -0.7484 1.4449 1.4449 2.7845 2.7845 3.3516 3.3516 7.4531 7.4531 9.8442 9.8442 12.4936 12.4936 12.7637 12.7637 k = 0.5000 0.0780 0.5020 ( 1914 PWs) bands (ev): -4.5907 -4.5907 -1.2438 -1.2438 -1.1469 -1.1469 -0.9135 -0.9135 -0.8428 -0.8428 -0.7565 -0.7565 1.3752 1.3752 2.8519 2.8519 3.4622 3.4622 7.4539 7.4539 9.8025 9.8025 12.4767 12.4767 12.7914 12.7914 k = 0.5000 0.0858 0.4910 ( 1912 PWs) bands (ev): -4.5982 -4.5982 -1.2445 -1.2445 -1.1512 -1.1512 -0.9150 -0.9150 -0.8437 -0.8437 -0.7647 -0.7647 1.3074 1.3074 2.9248 2.9248 3.5748 3.5748 7.4560 7.4560 9.7592 9.7592 12.4395 12.4395 12.8180 12.8180 k = 0.5000 0.0936 0.4800 ( 1912 PWs) bands (ev): -4.6061 -4.6061 -1.2452 -1.2452 -1.1559 -1.1559 -0.9168 -0.9168 -0.8446 -0.8446 -0.7730 -0.7730 1.2419 1.2419 3.0029 3.0029 3.6888 3.6888 7.4597 7.4597 9.7147 9.7147 12.3785 12.3785 12.8416 12.8416 k = 0.5000 0.1014 0.4689 ( 1912 PWs) bands (ev): -4.6144 -4.6144 -1.2460 -1.2460 -1.1609 -1.1609 -0.9187 -0.9187 -0.8456 -0.8456 -0.7813 -0.7813 1.1788 1.1788 3.0861 3.0861 3.8038 3.8038 7.4654 7.4654 9.6694 9.6694 12.2928 12.2928 12.8590 12.8590 k = 0.5000 0.1092 0.4579 ( 1916 PWs) bands (ev): -4.6230 -4.6230 -1.2469 -1.2469 -1.1661 -1.1661 -0.9209 -0.9209 -0.8467 -0.8467 -0.7895 -0.7895 1.1183 1.1183 3.1741 3.1741 3.9194 3.9194 7.4736 7.4736 9.6236 9.6236 12.1837 12.1837 12.8658 12.8658 k = 0.5000 0.1170 0.4469 ( 1914 PWs) bands (ev): -4.6318 -4.6318 -1.2478 -1.2478 -1.1716 -1.1716 -0.9233 -0.9233 -0.8477 -0.8477 -0.7973 -0.7973 1.0603 1.0603 3.2665 3.2665 4.0350 4.0350 7.4847 7.4847 9.5775 9.5775 12.0541 12.0541 12.8565 12.8565 k = 0.5000 0.1248 0.4358 ( 1912 PWs) bands (ev): -4.6409 -4.6409 -1.2487 -1.2487 -1.1773 -1.1773 -0.9260 -0.9260 -0.8488 -0.8488 -0.8048 -0.8048 1.0049 1.0049 3.3631 3.3631 4.1501 4.1501 7.4993 7.4993 9.5315 9.5315 11.9077 11.9077 12.8257 12.8257 k = 0.5000 0.1326 0.4248 ( 1914 PWs) bands (ev): -4.6501 -4.6501 -1.2497 -1.2497 -1.1831 -1.1831 -0.9289 -0.9289 -0.8499 -0.8499 -0.8120 -0.8120 0.9523 0.9523 3.4636 3.4636 4.2643 4.2643 7.5178 7.5178 9.4856 9.4856 11.7483 11.7483 12.7694 12.7694 k = 0.5000 0.1404 0.4138 ( 1914 PWs) bands (ev): -4.6593 -4.6593 -1.2507 -1.2507 -1.1889 -1.1889 -0.9321 -0.9321 -0.8510 -0.8510 -0.8186 -0.8186 0.9024 0.9024 3.5675 3.5675 4.3770 4.3770 7.5409 7.5409 9.4400 9.4400 11.5793 11.5793 12.6863 12.6863 k = 0.5000 0.1482 0.4027 ( 1916 PWs) bands (ev): -4.6686 -4.6686 -1.2517 -1.2517 -1.1949 -1.1949 -0.9355 -0.9355 -0.8520 -0.8520 -0.8247 -0.8247 0.8552 0.8552 3.6744 3.6744 4.4877 4.4877 7.5691 7.5691 9.3948 9.3948 11.4037 11.4037 12.5781 12.5781 k = 0.5000 0.1560 0.3917 ( 1914 PWs) bands (ev): -4.6777 -4.6777 -1.2527 -1.2527 -1.2008 -1.2008 -0.9392 -0.9392 -0.8531 -0.8531 -0.8303 -0.8303 0.8108 0.8108 3.7840 3.7840 4.5959 4.5959 7.6031 7.6031 9.3498 9.3498 11.2242 11.2242 12.4483 12.4483 k = 0.5000 0.1638 0.3807 ( 1916 PWs) bands (ev): -4.6867 -4.6867 -1.2538 -1.2538 -1.2066 -1.2066 -0.9430 -0.9430 -0.8541 -0.8541 -0.8353 -0.8353 0.7691 0.7691 3.8956 3.8956 4.7010 4.7010 7.6435 7.6435 9.3051 9.3051 11.0430 11.0430 12.3014 12.3014 k = 0.5000 0.1716 0.3696 ( 1920 PWs) bands (ev): -4.6956 -4.6956 -1.2549 -1.2549 -1.2124 -1.2124 -0.9471 -0.9471 -0.8551 -0.8551 -0.8399 -0.8399 0.7302 0.7302 4.0086 4.0086 4.8026 4.8026 7.6908 7.6908 9.2603 9.2603 10.8623 10.8623 12.1412 12.1412 k = 0.5000 0.1794 0.3586 ( 1926 PWs) bands (ev): -4.7041 -4.7041 -1.2560 -1.2560 -1.2180 -1.2180 -0.9512 -0.9512 -0.8561 -0.8561 -0.8438 -0.8438 0.6940 0.6940 4.1225 4.1225 4.9003 4.9003 7.7458 7.7458 9.2153 9.2153 10.6839 10.6839 11.9710 11.9710 k = 0.5000 0.1872 0.3476 ( 1930 PWs) bands (ev): -4.7124 -4.7124 -1.2570 -1.2570 -1.2234 -1.2234 -0.9554 -0.9554 -0.8571 -0.8571 -0.8473 -0.8473 0.6605 0.6605 4.2363 4.2363 4.9936 4.9936 7.8088 7.8088 9.1694 9.1694 10.5099 10.5099 11.7936 11.7936 k = 0.5000 0.1951 0.3365 ( 1928 PWs) bands (ev): -4.7202 -4.7202 -1.2581 -1.2581 -1.2285 -1.2285 -0.9596 -0.9596 -0.8581 -0.8581 -0.8503 -0.8503 0.6296 0.6296 4.3492 4.3492 5.0824 5.0824 7.8803 7.8803 9.1220 9.1220 10.3422 10.3422 11.6110 11.6110 k = 0.5000 0.2029 0.3255 ( 1934 PWs) bands (ev): -4.7276 -4.7276 -1.2592 -1.2592 -1.2333 -1.2333 -0.9637 -0.9637 -0.8591 -0.8591 -0.8528 -0.8528 0.6014 0.6014 4.4601 4.4601 5.1667 5.1667 7.9606 7.9606 9.0724 9.0724 10.1831 10.1831 11.4249 11.4249 k = 0.5000 0.2107 0.3145 ( 1932 PWs) bands (ev): -4.7346 -4.7346 -1.2602 -1.2602 -1.2378 -1.2378 -0.9677 -0.9677 -0.8601 -0.8601 -0.8548 -0.8548 0.5757 0.5757 4.5675 4.5675 5.2465 5.2465 8.0499 8.0499 9.0195 9.0195 10.0349 10.0349 11.2364 11.2364 k = 0.5000 0.2185 0.3034 ( 1932 PWs) bands (ev): -4.7410 -4.7410 -1.2612 -1.2612 -1.2419 -1.2419 -0.9714 -0.9714 -0.8611 -0.8611 -0.8564 -0.8564 0.5527 0.5527 4.6700 4.6700 5.3221 5.3221 8.1480 8.1480 8.9625 8.9625 9.9001 9.9001 11.0468 11.0468 k = 0.5000 0.2263 0.2924 ( 1928 PWs) bands (ev): -4.7469 -4.7469 -1.2622 -1.2622 -1.2455 -1.2455 -0.9749 -0.9749 -0.8622 -0.8622 -0.8577 -0.8577 0.5322 0.5322 4.7660 4.7660 5.3937 5.3937 8.2549 8.2549 8.9008 8.9008 9.7810 9.7810 10.8568 10.8568 k = 0.5000 0.2341 0.2814 ( 1926 PWs) bands (ev): -4.7521 -4.7521 -1.2632 -1.2632 -1.2487 -1.2487 -0.9781 -0.9781 -0.8632 -0.8632 -0.8586 -0.8586 0.5142 0.5142 4.8538 4.8538 5.4616 5.4616 8.3699 8.3699 8.8351 8.8351 9.6791 9.6791 10.6673 10.6673 k = 0.5000 0.2419 0.2703 ( 1920 PWs) bands (ev): -4.7568 -4.7568 -1.2641 -1.2641 -1.2515 -1.2515 -0.9810 -0.9810 -0.8641 -0.8641 -0.8593 -0.8593 0.4987 0.4987 4.9316 4.9316 5.5256 5.5256 8.4911 8.4911 8.7684 8.7684 9.5949 9.5949 10.4789 10.4789 k = 0.5000 0.2497 0.2593 ( 1922 PWs) bands (ev): -4.7607 -4.7607 -1.2651 -1.2651 -1.2537 -1.2537 -0.9835 -0.9835 -0.8650 -0.8650 -0.8598 -0.8598 0.4856 0.4856 4.9983 4.9983 5.5850 5.5850 8.6051 8.6051 8.7168 8.7168 9.5279 9.5279 10.2922 10.2922 k = 0.5000 0.2575 0.2483 ( 1916 PWs) bands (ev): -4.7640 -4.7640 -1.2660 -1.2660 -1.2554 -1.2554 -0.9855 -0.9855 -0.8656 -0.8656 -0.8602 -0.8602 0.4749 0.4749 5.0530 5.0530 5.6384 5.6384 8.6086 8.6086 8.7870 8.7870 9.4765 9.4765 10.1079 10.1079 k = 0.5000 0.2653 0.2372 ( 1916 PWs) bands (ev): -4.7666 -4.7666 -1.2667 -1.2667 -1.2567 -1.2567 -0.9872 -0.9872 -0.8661 -0.8661 -0.8605 -0.8605 0.4666 0.4666 5.0953 5.0953 5.6837 5.6837 8.5581 8.5581 8.9265 8.9265 9.4389 9.4389 9.9265 9.9265 k = 0.5000 0.2731 0.2262 ( 1916 PWs) bands (ev): -4.7684 -4.7684 -1.2673 -1.2673 -1.2576 -1.2576 -0.9884 -0.9884 -0.8665 -0.8665 -0.8608 -0.8608 0.4607 0.4607 5.1252 5.1252 5.7186 5.7186 8.5150 8.5150 9.0778 9.0778 9.4134 9.4134 9.7486 9.7486 k = 0.5000 0.2809 0.2152 ( 1916 PWs) bands (ev): -4.7695 -4.7695 -1.2677 -1.2677 -1.2581 -1.2581 -0.9891 -0.9891 -0.8667 -0.8667 -0.8609 -0.8609 0.4572 0.4572 5.1431 5.1431 5.7407 5.7407 8.4871 8.4871 9.2351 9.2351 9.3991 9.3991 9.5755 9.5755 k = 0.5000 0.2887 0.2041 ( 1916 PWs) bands (ev): -4.7699 -4.7699 -1.2679 -1.2679 -1.2583 -1.2583 -0.9893 -0.9893 -0.8668 -0.8668 -0.8609 -0.8609 0.4560 0.4560 5.1490 5.1490 5.7482 5.7482 8.4775 8.4775 9.3642 9.3642 9.4114 9.4114 9.4242 9.4242 k = 0.5000 0.2887 0.2041 ( 1916 PWs) bands (ev): -4.7699 -4.7699 -1.2679 -1.2679 -1.2583 -1.2583 -0.9893 -0.9893 -0.8668 -0.8668 -0.8609 -0.8609 0.4560 0.4560 5.1490 5.1490 5.7482 5.7482 8.4775 8.4775 9.3642 9.3642 9.4114 9.4114 9.4242 9.4242 k = 0.4961 0.2864 0.2169 ( 1916 PWs) bands (ev): -4.7695 -4.7695 -1.2677 -1.2677 -1.2581 -1.2581 -0.9891 -0.9891 -0.8667 -0.8667 -0.8609 -0.8609 0.4572 0.4572 5.1431 5.1431 5.7407 5.7407 8.4871 8.4871 9.2349 9.2349 9.3990 9.3990 9.5757 9.5757 k = 0.4922 0.2842 0.2296 ( 1916 PWs) bands (ev): -4.7684 -4.7684 -1.2673 -1.2673 -1.2576 -1.2576 -0.9884 -0.9884 -0.8665 -0.8665 -0.8608 -0.8608 0.4607 0.4607 5.1252 5.1252 5.7185 5.7185 8.5150 8.5150 9.0778 9.0778 9.4131 9.4131 9.7492 9.7492 k = 0.4883 0.2819 0.2424 ( 1918 PWs) bands (ev): -4.7666 -4.7666 -1.2667 -1.2667 -1.2567 -1.2567 -0.9872 -0.9872 -0.8661 -0.8661 -0.8606 -0.8606 0.4666 0.4666 5.0951 5.0951 5.6837 5.6837 8.5566 8.5566 8.9292 8.9292 9.4369 9.4369 9.9277 9.9277 k = 0.4844 0.2797 0.2552 ( 1916 PWs) bands (ev): -4.7640 -4.7640 -1.2659 -1.2659 -1.2554 -1.2554 -0.9855 -0.9855 -0.8656 -0.8656 -0.8602 -0.8602 0.4749 0.4749 5.0525 5.0525 5.6386 5.6386 8.5930 8.5930 8.8072 8.8072 9.4700 9.4700 10.1104 10.1104 k = 0.4805 0.2774 0.2679 ( 1918 PWs) bands (ev): -4.7607 -4.7607 -1.2651 -1.2651 -1.2537 -1.2537 -0.9834 -0.9834 -0.8649 -0.8649 -0.8598 -0.8598 0.4856 0.4856 4.9971 4.9971 5.5861 5.5861 8.5502 8.5502 8.7836 8.7836 9.5120 9.5120 10.2966 10.2966 k = 0.4766 0.2751 0.2807 ( 1920 PWs) bands (ev): -4.7567 -4.7567 -1.2641 -1.2641 -1.2514 -1.2514 -0.9810 -0.9810 -0.8641 -0.8641 -0.8593 -0.8593 0.4988 0.4988 4.9289 4.9289 5.5290 5.5290 8.4314 8.4314 8.8532 8.8532 9.5625 9.5625 10.4861 10.4861 k = 0.4727 0.2729 0.2934 ( 1923 PWs) bands (ev): -4.7521 -4.7521 -1.2631 -1.2631 -1.2487 -1.2487 -0.9781 -0.9781 -0.8631 -0.8631 -0.8586 -0.8586 0.5143 0.5143 4.8484 4.8484 5.4696 5.4696 8.2989 8.2989 8.9513 8.9513 9.6210 9.6210 10.6783 10.6783 k = 0.4688 0.2706 0.3062 ( 1921 PWs) bands (ev): -4.7468 -4.7468 -1.2621 -1.2621 -1.2455 -1.2455 -0.9749 -0.9749 -0.8620 -0.8620 -0.8578 -0.8578 0.5324 0.5324 4.7564 4.7564 5.4094 5.4094 8.1661 8.1661 9.0626 9.0626 9.6871 9.6871 10.8727 10.8727 k = 0.4648 0.2684 0.3189 ( 1925 PWs) bands (ev): -4.7410 -4.7410 -1.2611 -1.2611 -1.2419 -1.2419 -0.9714 -0.9714 -0.8608 -0.8608 -0.8567 -0.8567 0.5530 0.5530 4.6544 4.6544 5.3492 5.3492 8.0358 8.0358 9.1824 9.1824 9.7603 9.7603 11.0688 11.0688 k = 0.4609 0.2661 0.3317 ( 1927 PWs) bands (ev): -4.7345 -4.7345 -1.2600 -1.2600 -1.2378 -1.2378 -0.9676 -0.9676 -0.8595 -0.8595 -0.8554 -0.8554 0.5761 0.5761 4.5439 4.5439 5.2896 5.2896 7.9088 7.9088 9.3085 9.3085 9.8401 9.8401 11.2658 11.2658 k = 0.4570 0.2639 0.3445 ( 1926 PWs) bands (ev): -4.7276 -4.7276 -1.2589 -1.2589 -1.2334 -1.2334 -0.9636 -0.9636 -0.8582 -0.8582 -0.8536 -0.8536 0.6017 0.6017 4.4265 4.4265 5.2305 5.2305 7.7853 7.7853 9.4390 9.4390 9.9261 9.9261 11.4630 11.4630 k = 0.4531 0.2616 0.3572 ( 1926 PWs) bands (ev): -4.7202 -4.7202 -1.2578 -1.2578 -1.2286 -1.2286 -0.9595 -0.9595 -0.8569 -0.8569 -0.8514 -0.8514 0.6300 0.6300 4.3039 4.3039 5.1721 5.1721 7.6655 7.6655 9.5726 9.5726 10.0176 10.0176 11.6592 11.6592 k = 0.4492 0.2594 0.3700 ( 1926 PWs) bands (ev): -4.7123 -4.7123 -1.2566 -1.2566 -1.2236 -1.2236 -0.9554 -0.9554 -0.8556 -0.8556 -0.8488 -0.8488 0.6610 0.6610 4.1774 4.1774 5.1141 5.1141 7.5493 7.5493 9.7081 9.7081 10.1144 10.1144 11.8534 11.8534 k = 0.4453 0.2571 0.3827 ( 1928 PWs) bands (ev): -4.7041 -4.7041 -1.2554 -1.2554 -1.2183 -1.2183 -0.9512 -0.9512 -0.8543 -0.8543 -0.8456 -0.8456 0.6946 0.6946 4.0483 4.0483 5.0568 5.0568 7.4368 7.4368 9.8444 9.8444 10.2159 10.2159 12.0442 12.0442 k = 0.4414 0.2548 0.3955 ( 1928 PWs) bands (ev): -4.6956 -4.6956 -1.2542 -1.2542 -1.2128 -1.2128 -0.9471 -0.9471 -0.8529 -0.8529 -0.8420 -0.8420 0.7308 0.7308 3.9177 3.9177 5.0000 5.0000 7.3278 7.3278 9.9805 9.9805 10.3218 10.3218 12.2300 12.2300 k = 0.4375 0.2526 0.4082 ( 1934 PWs) bands (ev): -4.6869 -4.6869 -1.2530 -1.2530 -1.2071 -1.2071 -0.9432 -0.9432 -0.8515 -0.8515 -0.8379 -0.8379 0.7698 0.7698 3.7863 3.7863 4.9439 4.9439 7.2222 7.2222 10.1153 10.1153 10.4316 10.4316 12.4087 12.4087 k = 0.4336 0.2503 0.4210 ( 1926 PWs) bands (ev): -4.6780 -4.6780 -1.2517 -1.2517 -1.2013 -1.2013 -0.9393 -0.9393 -0.8501 -0.8501 -0.8332 -0.8332 0.8115 0.8115 3.6551 3.6551 4.8885 4.8885 7.1200 7.1200 10.2479 10.2479 10.5447 10.5447 12.5780 12.5780 k = 0.4297 0.2481 0.4338 ( 1924 PWs) bands (ev): -4.6691 -4.6691 -1.2505 -1.2505 -1.1954 -1.1954 -0.9356 -0.9356 -0.8486 -0.8486 -0.8280 -0.8280 0.8560 0.8560 3.5248 3.5248 4.8340 4.8340 7.0211 7.0211 10.3773 10.3773 10.6604 10.6604 12.7349 12.7349 k = 0.4258 0.2458 0.4465 ( 1930 PWs) bands (ev): -4.6601 -4.6601 -1.2492 -1.2492 -1.1896 -1.1896 -0.9322 -0.9322 -0.8472 -0.8472 -0.8223 -0.8223 0.9031 0.9031 3.3959 3.3959 4.7804 4.7804 6.9254 6.9254 10.5027 10.5027 10.7778 10.7778 12.8755 12.8755 k = 0.4219 0.2436 0.4593 ( 1930 PWs) bands (ev): -4.6512 -4.6512 -1.2479 -1.2479 -1.1838 -1.1838 -0.9290 -0.9290 -0.8457 -0.8457 -0.8161 -0.8161 0.9529 0.9529 3.2691 3.2691 4.7279 4.7279 6.8328 6.8328 10.6232 10.6232 10.8956 10.8956 12.9946 12.9946 k = 0.4180 0.2413 0.4720 ( 1920 PWs) bands (ev): -4.6425 -4.6425 -1.2466 -1.2466 -1.1780 -1.1780 -0.9261 -0.9261 -0.8441 -0.8441 -0.8093 -0.8093 1.0053 1.0053 3.1449 3.1449 4.6766 4.6766 6.7433 6.7433 10.7379 10.7379 11.0126 11.0126 13.0849 13.0849 k = 0.4141 0.2391 0.4848 ( 1920 PWs) bands (ev): -4.6340 -4.6340 -1.2453 -1.2453 -1.1723 -1.1723 -0.9233 -0.9233 -0.8426 -0.8426 -0.8023 -0.8023 1.0603 1.0603 3.0238 3.0238 4.6266 4.6266 6.6567 6.6567 10.8457 10.8457 11.1272 11.1272 13.1386 13.1386 k = 0.4102 0.2368 0.4976 ( 1918 PWs) bands (ev): -4.6258 -4.6258 -1.2440 -1.2440 -1.1668 -1.1668 -0.9208 -0.9208 -0.8411 -0.8411 -0.7949 -0.7949 1.1178 1.1178 2.9064 2.9064 4.5781 4.5781 6.5730 6.5730 10.9449 10.9449 11.2382 11.2382 13.1547 13.1547 k = 0.4062 0.2345 0.5103 ( 1920 PWs) bands (ev): -4.6181 -4.6181 -1.2428 -1.2428 -1.1615 -1.1615 -0.9184 -0.9184 -0.8396 -0.8396 -0.7873 -0.7873 1.1776 1.1776 2.7932 2.7932 4.5311 4.5311 6.4922 6.4922 11.0334 11.0334 11.3449 11.3449 13.1454 13.1454 k = 0.4023 0.2323 0.5231 ( 1916 PWs) bands (ev): -4.6109 -4.6109 -1.2416 -1.2416 -1.1564 -1.1564 -0.9162 -0.9162 -0.8382 -0.8382 -0.7796 -0.7796 1.2396 1.2396 2.6847 2.6847 4.4857 4.4857 6.4141 6.4141 11.1085 11.1085 11.4469 11.4469 13.1271 13.1271 k = 0.3984 0.2300 0.5358 ( 1915 PWs) bands (ev): -4.6044 -4.6044 -1.2403 -1.2403 -1.1517 -1.1517 -0.9141 -0.9141 -0.8368 -0.8368 -0.7719 -0.7719 1.3033 1.3033 2.5817 2.5817 4.4421 4.4421 6.3387 6.3387 11.1672 11.1672 11.5447 11.5447 13.1111 13.1111 k = 0.3945 0.2278 0.5486 ( 1911 PWs) bands (ev): -4.5986 -4.5986 -1.2391 -1.2391 -1.1472 -1.1472 -0.9122 -0.9122 -0.8354 -0.8354 -0.7642 -0.7642 1.3684 1.3684 2.4850 2.4850 4.4004 4.4004 6.2660 6.2660 11.2072 11.2072 11.6392 11.6392 13.1028 13.1028 k = 0.3906 0.2255 0.5613 ( 1913 PWs) bands (ev): -4.5936 -4.5936 -1.2380 -1.2380 -1.1431 -1.1431 -0.9103 -0.9103 -0.8342 -0.8342 -0.7569 -0.7569 1.4340 1.4340 2.3956 2.3956 4.3606 4.3606 6.1959 6.1959 11.2277 11.2277 11.7310 11.7310 13.1034 13.1034 k = 0.3867 0.2233 0.5741 ( 1912 PWs) bands (ev): -4.5896 -4.5896 -1.2368 -1.2368 -1.1394 -1.1394 -0.9085 -0.9085 -0.8330 -0.8330 -0.7500 -0.7500 1.4991 1.4991 2.3151 2.3151 4.3228 4.3228 6.1283 6.1283 11.2295 11.2295 11.8204 11.8204 13.1117 13.1117 k = 0.3828 0.2210 0.5869 ( 1916 PWs) bands (ev): -4.5866 -4.5866 -1.2357 -1.2357 -1.1361 -1.1361 -0.9068 -0.9068 -0.8319 -0.8319 -0.7436 -0.7436 1.5615 1.5615 2.2457 2.2457 4.2870 4.2870 6.0633 6.0633 11.2146 11.2146 11.9074 11.9074 13.1247 13.1247 k = 0.3789 0.2188 0.5996 ( 1912 PWs) bands (ev): -4.5847 -4.5847 -1.2346 -1.2346 -1.1332 -1.1332 -0.9051 -0.9051 -0.8308 -0.8308 -0.7380 -0.7380 1.6178 1.6178 2.1911 2.1911 4.2535 4.2535 6.0008 6.0008 11.1860 11.1860 11.9915 11.9915 13.1395 13.1395 k = 0.3750 0.2165 0.6124 ( 1906 PWs) bands (ev): -4.5840 -4.5840 -1.2336 -1.2336 -1.1307 -1.1307 -0.9035 -0.9035 -0.8299 -0.8299 -0.7332 -0.7332 1.6628 1.6628 2.1570 2.1570 4.2221 4.2221 5.9407 5.9407 11.1467 11.1467 12.0724 12.0724 13.1534 13.1534 k = 0.6250-0.0722 0.4082 ( 1906 PWs) bands (ev): -4.5840 -4.5840 -1.2336 -1.2336 -1.1307 -1.1307 -0.9035 -0.9035 -0.8299 -0.8299 -0.7332 -0.7332 1.6628 1.6628 2.1570 2.1570 4.2221 4.2221 5.9407 5.9407 11.1467 11.1467 12.0724 12.0724 13.1534 13.1534 k = 0.6184-0.0836 0.4082 ( 1914 PWs) bands (ev): -4.5843 -4.5843 -1.2319 -1.2319 -1.1271 -1.1271 -0.9008 -0.9008 -0.8284 -0.8284 -0.7261 -0.7261 1.7250 1.7250 2.1244 2.1244 4.1722 4.1722 5.8413 5.8413 11.0646 11.0646 12.2072 12.2072 13.1865 13.1865 k = 0.6118-0.0950 0.4082 ( 1914 PWs) bands (ev): -4.5855 -4.5855 -1.2303 -1.2303 -1.1237 -1.1237 -0.8983 -0.8983 -0.8269 -0.8269 -0.7192 -0.7192 1.7830 1.7830 2.1031 2.1031 4.1244 4.1244 5.7407 5.7407 10.9688 10.9688 12.3443 12.3443 13.2395 13.2395 k = 0.6053-0.1064 0.4082 ( 1918 PWs) bands (ev): -4.5874 -4.5874 -1.2287 -1.2287 -1.1205 -1.1205 -0.8959 -0.8959 -0.8254 -0.8254 -0.7126 -0.7126 1.8276 1.8276 2.1021 2.1021 4.0788 4.0788 5.6389 5.6389 10.8645 10.8645 12.4830 12.4830 13.3075 13.3075 k = 0.5987-0.1177 0.4082 ( 1922 PWs) bands (ev): -4.5899 -4.5899 -1.2272 -1.2272 -1.1175 -1.1175 -0.8936 -0.8936 -0.8239 -0.8239 -0.7063 -0.7063 1.8487 1.8487 2.1314 2.1314 4.0355 4.0355 5.5358 5.5358 10.7559 10.7559 12.6225 12.6225 13.3867 13.3867 k = 0.5921-0.1291 0.4082 ( 1920 PWs) bands (ev): -4.5927 -4.5927 -1.2258 -1.2258 -1.1147 -1.1147 -0.8914 -0.8914 -0.8223 -0.8223 -0.7004 -0.7004 1.8467 1.8467 2.1902 2.1902 3.9946 3.9946 5.4312 5.4312 10.6465 10.6465 12.7620 12.7620 13.4737 13.4737 k = 0.5855-0.1405 0.4082 ( 1920 PWs) bands (ev): -4.5960 -4.5960 -1.2245 -1.2245 -1.1121 -1.1121 -0.8893 -0.8893 -0.8208 -0.8208 -0.6949 -0.6949 1.8316 1.8316 2.2684 2.2684 3.9562 3.9562 5.3250 5.3250 10.5386 10.5386 12.9006 12.9006 13.5661 13.5661 k = 0.5789-0.1519 0.4082 ( 1916 PWs) bands (ev): -4.5994 -4.5994 -1.2232 -1.2232 -1.1097 -1.1097 -0.8874 -0.8874 -0.8193 -0.8193 -0.6898 -0.6898 1.8110 1.8110 2.3582 2.3582 3.9204 3.9204 5.2172 5.2172 10.4343 10.4343 13.0373 13.0373 13.6618 13.6618 k = 0.5724-0.1633 0.4082 ( 1920 PWs) bands (ev): -4.6029 -4.6029 -1.2221 -1.2221 -1.1075 -1.1075 -0.8856 -0.8856 -0.8178 -0.8178 -0.6851 -0.6851 1.7887 1.7887 2.4553 2.4553 3.8873 3.8873 5.1077 5.1077 10.3350 10.3350 13.1711 13.1711 13.7593 13.7593 k = 0.5658-0.1747 0.4082 ( 1924 PWs) bands (ev): -4.6065 -4.6065 -1.2211 -1.2211 -1.1055 -1.1055 -0.8840 -0.8840 -0.8165 -0.8165 -0.6808 -0.6808 1.7666 1.7666 2.5577 2.5577 3.8571 3.8571 4.9965 4.9965 10.2419 10.2419 13.3007 13.3007 13.8573 13.8573 k = 0.5592-0.1861 0.4082 ( 1920 PWs) bands (ev): -4.6100 -4.6100 -1.2201 -1.2201 -1.1037 -1.1037 -0.8825 -0.8825 -0.8151 -0.8151 -0.6769 -0.6769 1.7455 1.7455 2.6639 2.6639 3.8297 3.8297 4.8838 4.8838 10.1558 10.1558 13.4245 13.4245 13.9546 13.9546 k = 0.5526-0.1975 0.4082 ( 1920 PWs) bands (ev): -4.6133 -4.6133 -1.2192 -1.2192 -1.1021 -1.1021 -0.8811 -0.8811 -0.8138 -0.8138 -0.6735 -0.6735 1.7260 1.7260 2.7731 2.7731 3.8055 3.8055 4.7696 4.7696 10.0774 10.0774 13.5409 13.5409 14.0502 14.0502 k = 0.5461-0.2089 0.4082 ( 1918 PWs) bands (ev): -4.6165 -4.6165 -1.2185 -1.2185 -1.1007 -1.1007 -0.8799 -0.8799 -0.8127 -0.8127 -0.6705 -0.6705 1.7084 1.7084 2.8844 2.8844 3.7845 3.7845 4.6542 4.6542 10.0073 10.0073 13.6483 13.6483 14.1427 14.1427 k = 0.5395-0.2203 0.4082 ( 1922 PWs) bands (ev): -4.6193 -4.6193 -1.2178 -1.2178 -1.0995 -1.0995 -0.8788 -0.8788 -0.8117 -0.8117 -0.6679 -0.6679 1.6928 1.6928 2.9968 2.9968 3.7672 3.7672 4.5379 4.5379 9.9459 9.9459 13.7448 13.7448 14.2307 14.2307 k = 0.5329-0.2317 0.4082 ( 1922 PWs) bands (ev): -4.6218 -4.6218 -1.2173 -1.2173 -1.0984 -1.0984 -0.8779 -0.8779 -0.8108 -0.8108 -0.6657 -0.6657 1.6796 1.6796 3.1090 3.1090 3.7540 3.7540 4.4212 4.4212 9.8934 9.8934 13.8288 13.8288 14.3123 14.3123 k = 0.5263-0.2431 0.4082 ( 1922 PWs) bands (ev): -4.6239 -4.6239 -1.2168 -1.2168 -1.0976 -1.0976 -0.8772 -0.8772 -0.8101 -0.8101 -0.6639 -0.6639 1.6686 1.6686 3.2189 3.2189 3.7462 3.7462 4.3048 4.3048 9.8502 9.8502 13.8992 13.8992 14.3850 14.3850 k = 0.5197-0.2545 0.4082 ( 1934 PWs) bands (ev): -4.6256 -4.6256 -1.2165 -1.2165 -1.0970 -1.0970 -0.8766 -0.8766 -0.8095 -0.8095 -0.6625 -0.6625 1.6600 1.6600 3.3228 3.3228 3.7460 3.7460 4.1901 4.1901 9.8164 9.8164 13.9547 13.9547 14.4461 14.4461 k = 0.5132-0.2659 0.4082 ( 1942 PWs) bands (ev): -4.6268 -4.6268 -1.2163 -1.2163 -1.0965 -1.0965 -0.8763 -0.8763 -0.8091 -0.8091 -0.6616 -0.6616 1.6538 1.6538 3.4131 3.4131 3.7585 3.7585 4.0795 4.0795 9.7922 9.7922 13.9949 13.9949 14.4925 14.4925 k = 0.5066-0.2773 0.4082 ( 1942 PWs) bands (ev): -4.6275 -4.6275 -1.2162 -1.2162 -1.0962 -1.0962 -0.8760 -0.8760 -0.8089 -0.8089 -0.6610 -0.6610 1.6501 1.6501 3.4764 3.4764 3.7903 3.7903 3.9797 3.9797 9.7776 9.7776 14.0191 14.0191 14.5216 14.5216 k = 0.5000-0.2887 0.4082 ( 1924 PWs) bands (ev): -4.6278 -4.6278 -1.2160 -1.2160 -1.0961 -1.0961 -0.8759 -0.8759 -0.8087 -0.8087 -0.6607 -0.6607 1.6489 1.6489 3.4991 3.4991 3.8230 3.8230 3.9228 3.9228 9.7727 9.7727 14.0272 14.0272 14.5315 14.5315 Writing output data file ZnTe.save init_run : 0.16s CPU 0.27s WALL ( 1 calls) electrons : 35.12s CPU 36.31s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 35.12s CPU 36.30s 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 : 0.04s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.02s WALL ( 346 calls) cegterg : 31.69s CPU 32.44s WALL ( 369 calls) Called by sum_band: Called by *egterg: h_psi : 16.05s CPU 16.53s WALL ( 5761 calls) s_psi : 0.73s CPU 0.78s WALL ( 5761 calls) g_psi : 0.04s CPU 0.05s WALL ( 5046 calls) cdiaghg : 14.33s CPU 14.57s WALL ( 5392 calls) cegterg:over : 1.10s CPU 1.03s WALL ( 5046 calls) cegterg:upda : 0.67s CPU 0.77s WALL ( 5046 calls) cegterg:last : 0.34s CPU 0.44s WALL ( 1058 calls) cdiaghg:chol : 0.81s CPU 0.75s WALL ( 5392 calls) cdiaghg:inve : 0.22s CPU 0.29s WALL ( 5392 calls) cdiaghg:para : 0.96s CPU 0.93s WALL ( 10784 calls) Called by h_psi: h_psi:vloc : 14.34s CPU 14.75s WALL ( 5761 calls) h_psi:vnl : 1.68s CPU 1.75s WALL ( 5761 calls) add_vuspsi : 0.97s CPU 1.01s WALL ( 5761 calls) General routines calbec : 0.69s CPU 0.73s WALL ( 5761 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 13.38s CPU 13.68s WALL ( 326176 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.05s CPU 0.12s WALL ( 692 calls) Parallel routines fft_scatter : 6.49s CPU 6.73s WALL ( 326199 calls) PWSCF : 0m42.57s CPU 1m28.06s WALL This run was terminated on: 21:18:58 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=