Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14:38: 8 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: ./Bi2TeSe2.save/ file Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D 5D renormalized file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P 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 147 59 17 4550 1147 182 Max 148 60 18 4552 1173 183 Sum 5315 2135 627 163823 41815 6565 bravais-lattice index = 14 lattice parameter (alat) = 18.9126 a.u. unit-cell volume = 993.1765 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 457.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 18.912552 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.912654 celldm(5)= 0.912654 celldm(6)= 0.912654 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.912654 0.408733 0.000000 ) a(3) = ( 0.912654 0.195034 0.359200 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -2.232885 -1.328414 ) b(2) = ( 0.000000 2.446585 -1.328414 ) b(3) = ( 0.000000 0.000000 2.783965 ) PseudoPot. # 1 for Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d 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 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Bi read from file: /users/gautes/Pseudo/Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 2a6cbf750f457e6adc9554330ec86bb0 Pseudo is Ultrasoft + core correction, Zval = 15.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1283 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for 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 atomic species valence mass pseudopotential Se 6.00 78.96000 Se( 1.00) Bi 15.00 208.98040 Bi( 1.00) Te 6.00 127.60000 Te( 1.00) 2 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 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 282 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035461 k( 2) = ( 0.0113636 -0.0253737 -0.0150956), wk = 0.0035461 k( 3) = ( 0.0227273 -0.0507474 -0.0301912), wk = 0.0035461 k( 4) = ( 0.0340909 -0.0761211 -0.0452868), wk = 0.0035461 k( 5) = ( 0.0454546 -0.1014948 -0.0603825), wk = 0.0035461 k( 6) = ( 0.0568182 -0.1268685 -0.0754781), wk = 0.0035461 k( 7) = ( 0.0681818 -0.1522422 -0.0905737), wk = 0.0035461 k( 8) = ( 0.0795455 -0.1776159 -0.1056693), wk = 0.0035461 k( 9) = ( 0.0909091 -0.2029896 -0.1207649), wk = 0.0035461 k( 10) = ( 0.1022727 -0.2283633 -0.1358605), wk = 0.0035461 k( 11) = ( 0.1136364 -0.2537369 -0.1509561), wk = 0.0035461 k( 12) = ( 0.1250000 -0.2791106 -0.1660518), wk = 0.0035461 k( 13) = ( 0.1363636 -0.3044844 -0.1811474), wk = 0.0035461 k( 14) = ( 0.1477273 -0.3298580 -0.1962430), wk = 0.0035461 k( 15) = ( 0.1590909 -0.3552317 -0.2113386), wk = 0.0035461 k( 16) = ( 0.1704546 -0.3806054 -0.2264342), wk = 0.0035461 k( 17) = ( 0.1818182 -0.4059791 -0.2415298), wk = 0.0035461 k( 18) = ( 0.1931818 -0.4313528 -0.2566255), wk = 0.0035461 k( 19) = ( 0.2045454 -0.4567265 -0.2717211), wk = 0.0035461 k( 20) = ( 0.2159091 -0.4821002 -0.2868167), wk = 0.0035461 k( 21) = ( 0.2272727 -0.5074739 -0.3019123), wk = 0.0035461 k( 22) = ( 0.2386364 -0.5328476 -0.3170079), wk = 0.0035461 k( 23) = ( 0.2500000 -0.5582213 -0.3321035), wk = 0.0035461 k( 24) = ( 0.2613636 -0.5835950 -0.3471992), wk = 0.0035461 k( 25) = ( 0.2727273 -0.6089687 -0.3622948), wk = 0.0035461 k( 26) = ( 0.2840909 -0.6343424 -0.3773904), wk = 0.0035461 k( 27) = ( 0.2954545 -0.6597161 -0.3924860), wk = 0.0035461 k( 28) = ( 0.3068182 -0.6850898 -0.4075816), wk = 0.0035461 k( 29) = ( 0.3181818 -0.7104635 -0.4226772), wk = 0.0035461 k( 30) = ( 0.3295455 -0.7358372 -0.4377728), wk = 0.0035461 k( 31) = ( 0.3409091 -0.7612109 -0.4528685), wk = 0.0035461 k( 32) = ( 0.3522727 -0.7865846 -0.4679641), wk = 0.0035461 k( 33) = ( 0.3636364 -0.8119582 -0.4830597), wk = 0.0035461 k( 34) = ( 0.3750000 -0.8373319 -0.4981553), wk = 0.0035461 k( 35) = ( 0.3863636 -0.8627056 -0.5132509), wk = 0.0035461 k( 36) = ( 0.3977273 -0.8880793 -0.5283465), wk = 0.0035461 k( 37) = ( 0.4090909 -0.9134530 -0.5434422), wk = 0.0035461 k( 38) = ( 0.4204545 -0.9388267 -0.5585378), wk = 0.0035461 k( 39) = ( 0.4318182 -0.9642004 -0.5736334), wk = 0.0035461 k( 40) = ( 0.4431818 -0.9895741 -0.5887290), wk = 0.0035461 k( 41) = ( 0.4545455 -1.0149478 -0.6038246), wk = 0.0035461 k( 42) = ( 0.4659091 -1.0403215 -0.6189202), wk = 0.0035461 k( 43) = ( 0.4772727 -1.0656952 -0.6340159), wk = 0.0035461 k( 44) = ( 0.4886364 -1.0910689 -0.6491115), wk = 0.0035461 k( 45) = ( 0.5000000 -1.1164426 -0.6642071), wk = 0.0035461 k( 46) = ( 0.5000000 -1.1164426 -0.6642071), wk = 0.0035461 k( 47) = ( 0.5000000 -1.1004064 -0.6911617), wk = 0.0035461 k( 48) = ( 0.5000000 -1.0843702 -0.7181164), wk = 0.0035461 k( 49) = ( 0.5000000 -1.0683341 -0.7450710), wk = 0.0035461 k( 50) = ( 0.5000000 -1.0522979 -0.7720256), wk = 0.0035461 k( 51) = ( 0.5000000 -1.0362617 -0.7989803), wk = 0.0035461 k( 52) = ( 0.5000000 -1.0202256 -0.8259349), wk = 0.0035461 k( 53) = ( 0.5000000 -1.0041894 -0.8528896), wk = 0.0035461 k( 54) = ( 0.5000000 -0.9881532 -0.8798442), wk = 0.0035461 k( 55) = ( 0.5000000 -0.9721170 -0.9067989), wk = 0.0035461 k( 56) = ( 0.5000000 -0.9560809 -0.9337535), wk = 0.0035461 k( 57) = ( 0.5000000 -0.9400447 -0.9607082), wk = 0.0035461 k( 58) = ( 0.5000000 -0.9240085 -0.9876628), wk = 0.0035461 k( 59) = ( 0.5000000 -0.9079724 -1.0146174), wk = 0.0035461 k( 60) = ( 0.5000000 -0.8919362 -1.0415721), wk = 0.0035461 k( 61) = ( 0.5000000 -0.8759000 -1.0685267), wk = 0.0035461 k( 62) = ( 0.5000000 -0.8598639 -1.0954814), wk = 0.0035461 k( 63) = ( 0.5000000 -0.8438277 -1.1224360), wk = 0.0035461 k( 64) = ( 0.5000000 -0.8277915 -1.1493907), wk = 0.0035461 k( 65) = ( 0.5000000 -0.8117553 -1.1763453), wk = 0.0035461 k( 66) = ( 0.5000000 -0.7957192 -1.2033000), wk = 0.0035461 k( 67) = ( 0.5000000 -0.7796830 -1.2302546), wk = 0.0035461 k( 68) = ( 0.5000000 -0.7636468 -1.2572092), wk = 0.0035461 k( 69) = ( 0.5000000 -0.7476106 -1.2841639), wk = 0.0035461 k( 70) = ( 0.5000000 -0.7315745 -1.3111185), wk = 0.0035461 k( 71) = ( 0.5000000 -0.7155383 -1.3380731), wk = 0.0035461 k( 72) = ( 0.5000000 -0.6995021 -1.3650278), wk = 0.0035461 k( 73) = ( 0.5000000 -0.6834660 -1.3919824), wk = 0.0035461 k( 74) = ( 0.8230281 -0.6144350 -1.2648459), wk = 0.0035461 k( 75) = ( 0.8164357 -0.5997149 -1.2377354), wk = 0.0035461 k( 76) = ( 0.8098433 -0.5849948 -1.2106249), wk = 0.0035461 k( 77) = ( 0.8032509 -0.5702748 -1.1835144), wk = 0.0035461 k( 78) = ( 0.7966585 -0.5555547 -1.1564039), wk = 0.0035461 k( 79) = ( 0.7900661 -0.5408346 -1.1292934), wk = 0.0035461 k( 80) = ( 0.7834737 -0.5261145 -1.1021829), wk = 0.0035461 k( 81) = ( 0.7768813 -0.5113944 -1.0750724), wk = 0.0035461 k( 82) = ( 0.7702889 -0.4966743 -1.0479619), wk = 0.0035461 k( 83) = ( 0.7636964 -0.4819542 -1.0208514), wk = 0.0035461 k( 84) = ( 0.7571040 -0.4672341 -0.9937409), wk = 0.0035461 k( 85) = ( 0.7505116 -0.4525140 -0.9666305), wk = 0.0035461 k( 86) = ( 0.7439192 -0.4377939 -0.9395200), wk = 0.0035461 k( 87) = ( 0.7373268 -0.4230738 -0.9124095), wk = 0.0035461 k( 88) = ( 0.7307344 -0.4083537 -0.8852990), wk = 0.0035461 k( 89) = ( 0.7241420 -0.3936336 -0.8581885), wk = 0.0035461 k( 90) = ( 0.7175496 -0.3789135 -0.8310780), wk = 0.0035461 k( 91) = ( 0.7109572 -0.3641934 -0.8039675), wk = 0.0035461 k( 92) = ( 0.7043647 -0.3494733 -0.7768570), wk = 0.0035461 k( 93) = ( 0.6977723 -0.3347532 -0.7497465), wk = 0.0035461 k( 94) = ( 0.6911799 -0.3200331 -0.7226360), wk = 0.0035461 k( 95) = ( 0.6845875 -0.3053130 -0.6955255), wk = 0.0035461 k( 96) = ( 0.6779951 -0.2905929 -0.6684150), wk = 0.0035461 k( 97) = ( 0.6714027 -0.2758728 -0.6413045), wk = 0.0035461 k( 98) = ( 0.6648103 -0.2611527 -0.6141941), wk = 0.0035461 k( 99) = ( 0.6582179 -0.2464326 -0.5870836), wk = 0.0035461 k( 100) = ( 0.6516255 -0.2317125 -0.5599730), wk = 0.0035461 k( 101) = ( 0.6450330 -0.2169924 -0.5328626), wk = 0.0035461 k( 102) = ( 0.6384406 -0.2022723 -0.5057521), wk = 0.0035461 k( 103) = ( 0.6318482 -0.1875522 -0.4786416), wk = 0.0035461 k( 104) = ( 0.6252558 -0.1728321 -0.4515311), wk = 0.0035461 k( 105) = ( 0.6186634 -0.1581120 -0.4244206), wk = 0.0035461 k( 106) = ( 0.6120710 -0.1433919 -0.3973101), wk = 0.0035461 k( 107) = ( 0.6054786 -0.1286718 -0.3701996), wk = 0.0035461 k( 108) = ( 0.5988862 -0.1139518 -0.3430891), wk = 0.0035461 k( 109) = ( 0.5922937 -0.0992316 -0.3159786), wk = 0.0035461 k( 110) = ( 0.5857013 -0.0845115 -0.2888681), wk = 0.0035461 k( 111) = ( 0.5791089 -0.0697914 -0.2617576), wk = 0.0035461 k( 112) = ( 0.5725165 -0.0550714 -0.2346471), wk = 0.0035461 k( 113) = ( 0.5659241 -0.0403513 -0.2075366), wk = 0.0035461 k( 114) = ( 0.5593317 -0.0256312 -0.1804262), wk = 0.0035461 k( 115) = ( 0.5527393 -0.0109111 -0.1533157), wk = 0.0035461 k( 116) = ( 0.5461469 0.0038090 -0.1262052), wk = 0.0035461 k( 117) = ( 0.5395545 0.0185291 -0.0990947), wk = 0.0035461 k( 118) = ( 0.5329621 0.0332492 -0.0719842), wk = 0.0035461 k( 119) = ( 0.5263696 0.0479693 -0.0448737), wk = 0.0035461 k( 120) = ( 0.5197772 0.0626894 -0.0177632), wk = 0.0035461 k( 121) = ( 0.5131848 0.0774095 0.0093473), wk = 0.0035461 k( 122) = ( 0.5065924 0.0921296 0.0364578), wk = 0.0035461 k( 123) = ( 0.5000000 0.1068497 0.0635683), wk = 0.0035461 k( 124) = ( 0.5000000 0.1068497 0.0635683), wk = 0.0035461 k( 125) = ( 0.4705882 0.1005644 0.0598290), wk = 0.0035461 k( 126) = ( 0.4411765 0.0942792 0.0560897), wk = 0.0035461 k( 127) = ( 0.4117647 0.0879939 0.0523503), wk = 0.0035461 k( 128) = ( 0.3823529 0.0817086 0.0486110), wk = 0.0035461 k( 129) = ( 0.3529412 0.0754233 0.0448717), wk = 0.0035461 k( 130) = ( 0.3235294 0.0691380 0.0411324), wk = 0.0035461 k( 131) = ( 0.2941177 0.0628528 0.0373931), wk = 0.0035461 k( 132) = ( 0.2647059 0.0565675 0.0336538), wk = 0.0035461 k( 133) = ( 0.2352941 0.0502822 0.0299145), wk = 0.0035461 k( 134) = ( 0.2058823 0.0439969 0.0261752), wk = 0.0035461 k( 135) = ( 0.1764706 0.0377117 0.0224359), wk = 0.0035461 k( 136) = ( 0.1470588 0.0314264 0.0186966), wk = 0.0035461 k( 137) = ( 0.1176471 0.0251411 0.0149572), wk = 0.0035461 k( 138) = ( 0.0882353 0.0188558 0.0112179), wk = 0.0035461 k( 139) = ( 0.0588235 0.0125706 0.0074786), wk = 0.0035461 k( 140) = ( 0.0294118 0.0062853 0.0037393), wk = 0.0035461 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035461 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035461 k( 143) = ( 0.0066370 -0.0148196 -0.0272938), wk = 0.0035461 k( 144) = ( 0.0132740 -0.0296392 -0.0545876), wk = 0.0035461 k( 145) = ( 0.0199109 -0.0444588 -0.0818813), wk = 0.0035461 k( 146) = ( 0.0265479 -0.0592785 -0.1091751), wk = 0.0035461 k( 147) = ( 0.0331849 -0.0740981 -0.1364689), wk = 0.0035461 k( 148) = ( 0.0398219 -0.0889177 -0.1637626), wk = 0.0035461 k( 149) = ( 0.0464589 -0.1037373 -0.1910564), wk = 0.0035461 k( 150) = ( 0.0530958 -0.1185569 -0.2183502), wk = 0.0035461 k( 151) = ( 0.0597328 -0.1333765 -0.2456440), wk = 0.0035461 k( 152) = ( 0.0663698 -0.1481961 -0.2729377), wk = 0.0035461 k( 153) = ( 0.0730068 -0.1630157 -0.3002315), wk = 0.0035461 k( 154) = ( 0.0796437 -0.1778353 -0.3275253), wk = 0.0035461 k( 155) = ( 0.0862807 -0.1926550 -0.3548191), wk = 0.0035461 k( 156) = ( 0.0929177 -0.2074746 -0.3821128), wk = 0.0035461 k( 157) = ( 0.0995547 -0.2222942 -0.4094066), wk = 0.0035461 k( 158) = ( 0.1061917 -0.2371138 -0.4367004), wk = 0.0035461 k( 159) = ( 0.1128286 -0.2519334 -0.4639941), wk = 0.0035461 k( 160) = ( 0.1194656 -0.2667530 -0.4912879), wk = 0.0035461 k( 161) = ( 0.1261026 -0.2815726 -0.5185817), wk = 0.0035461 k( 162) = ( 0.1327396 -0.2963922 -0.5458755), wk = 0.0035461 k( 163) = ( 0.1393766 -0.3112119 -0.5731692), wk = 0.0035461 k( 164) = ( 0.1460135 -0.3260315 -0.6004630), wk = 0.0035461 k( 165) = ( 0.1526505 -0.3408511 -0.6277568), wk = 0.0035461 k( 166) = ( 0.1592875 -0.3556707 -0.6550506), wk = 0.0035461 k( 167) = ( 0.1659245 -0.3704903 -0.6823444), wk = 0.0035461 k( 168) = ( 0.1725615 -0.3853099 -0.7096381), wk = 0.0035461 k( 169) = ( 0.1791984 -0.4001295 -0.7369319), wk = 0.0035461 k( 170) = ( 0.1858354 -0.4149491 -0.7642256), wk = 0.0035461 k( 171) = ( 0.1924724 -0.4297687 -0.7915194), wk = 0.0035461 k( 172) = ( 0.1991094 -0.4445884 -0.8188132), wk = 0.0035461 k( 173) = ( 0.2057463 -0.4594080 -0.8461070), wk = 0.0035461 k( 174) = ( 0.2123833 -0.4742276 -0.8734008), wk = 0.0035461 k( 175) = ( 0.2190203 -0.4890472 -0.9006945), wk = 0.0035461 k( 176) = ( 0.2256573 -0.5038668 -0.9279883), wk = 0.0035461 k( 177) = ( 0.2322943 -0.5186864 -0.9552821), wk = 0.0035461 k( 178) = ( 0.2389312 -0.5335060 -0.9825758), wk = 0.0035461 k( 179) = ( 0.2455682 -0.5483256 -1.0098696), wk = 0.0035461 k( 180) = ( 0.2522052 -0.5631453 -1.0371634), wk = 0.0035461 k( 181) = ( 0.2588422 -0.5779649 -1.0644572), wk = 0.0035461 k( 182) = ( 0.2654792 -0.5927845 -1.0917509), wk = 0.0035461 k( 183) = ( 0.2721161 -0.6076041 -1.1190447), wk = 0.0035461 k( 184) = ( 0.2787531 -0.6224237 -1.1463385), wk = 0.0035461 k( 185) = ( 0.2853901 -0.6372433 -1.1736323), wk = 0.0035461 k( 186) = ( 0.2920271 -0.6520629 -1.2009260), wk = 0.0035461 k( 187) = ( 0.2986641 -0.6668826 -1.2282198), wk = 0.0035461 k( 188) = ( 0.3053010 -0.6817021 -1.2555136), wk = 0.0035461 k( 189) = ( 0.3119380 -0.6965218 -1.2828073), wk = 0.0035461 k( 190) = ( 0.3185750 -0.7113414 -1.3101011), wk = 0.0035461 k( 191) = ( 0.3252120 -0.7261610 -1.3373949), wk = 0.0035461 k( 192) = ( 0.3318489 -0.7409806 -1.3646887), wk = 0.0035461 k( 193) = ( 0.3384859 -0.7558002 -1.3919824), wk = 0.0035461 k( 194) = ( 0.6615141 -0.6489505 -1.3284142), wk = 0.0035461 k( 195) = ( 0.6550535 -0.6187185 -1.3284142), wk = 0.0035461 k( 196) = ( 0.6485929 -0.5884865 -1.3284142), wk = 0.0035461 k( 197) = ( 0.6421324 -0.5582545 -1.3284142), wk = 0.0035461 k( 198) = ( 0.6356718 -0.5280225 -1.3284142), wk = 0.0035461 k( 199) = ( 0.6292113 -0.4977905 -1.3284142), wk = 0.0035461 k( 200) = ( 0.6227507 -0.4675584 -1.3284142), wk = 0.0035461 k( 201) = ( 0.6162901 -0.4373264 -1.3284142), wk = 0.0035461 k( 202) = ( 0.6098296 -0.4070944 -1.3284142), wk = 0.0035461 k( 203) = ( 0.6033690 -0.3768624 -1.3284142), wk = 0.0035461 k( 204) = ( 0.5969084 -0.3466304 -1.3284142), wk = 0.0035461 k( 205) = ( 0.5904479 -0.3163984 -1.3284142), wk = 0.0035461 k( 206) = ( 0.5839873 -0.2861664 -1.3284142), wk = 0.0035461 k( 207) = ( 0.5775267 -0.2559344 -1.3284142), wk = 0.0035461 k( 208) = ( 0.5710662 -0.2257024 -1.3284142), wk = 0.0035461 k( 209) = ( 0.5646056 -0.1954704 -1.3284142), wk = 0.0035461 k( 210) = ( 0.5581451 -0.1652384 -1.3284142), wk = 0.0035461 k( 211) = ( 0.5516845 -0.1350063 -1.3284142), wk = 0.0035461 k( 212) = ( 0.5452239 -0.1047743 -1.3284142), wk = 0.0035461 k( 213) = ( 0.5387634 -0.0745424 -1.3284142), wk = 0.0035461 k( 214) = ( 0.5323028 -0.0443103 -1.3284142), wk = 0.0035461 k( 215) = ( 0.5258422 -0.0140783 -1.3284142), wk = 0.0035461 k( 216) = ( 0.5193817 0.0161537 -1.3284142), wk = 0.0035461 k( 217) = ( 0.5129211 0.0463857 -1.3284142), wk = 0.0035461 k( 218) = ( 0.5064606 0.0766177 -1.3284142), wk = 0.0035461 k( 219) = ( 0.5000000 0.1068497 -1.3284142), wk = 0.0035461 k( 220) = ( 0.5000000 0.1068497 -1.3284142), wk = 0.0035461 k( 221) = ( 0.5269190 0.1126023 -1.3178194), wk = 0.0035461 k( 222) = ( 0.5538380 0.1183549 -1.3072247), wk = 0.0035461 k( 223) = ( 0.5807570 0.1241074 -1.2966300), wk = 0.0035461 k( 224) = ( 0.6076761 0.1298600 -1.2860353), wk = 0.0035461 k( 225) = ( 0.6345951 0.1356126 -1.2754406), wk = 0.0035461 k( 226) = ( 0.6615141 0.1413652 -1.2648459), wk = 0.0035461 k( 227) = ( 0.6615141 0.1413652 -1.2648459), wk = 0.0035461 k( 228) = ( 0.6577579 0.1405625 -1.2339525), wk = 0.0035461 k( 229) = ( 0.6540018 0.1397598 -1.2030592), wk = 0.0035461 k( 230) = ( 0.6502457 0.1389571 -1.1721658), wk = 0.0035461 k( 231) = ( 0.6464895 0.1381544 -1.1412725), wk = 0.0035461 k( 232) = ( 0.6427334 0.1373518 -1.1103791), wk = 0.0035461 k( 233) = ( 0.6389772 0.1365491 -1.0794858), wk = 0.0035461 k( 234) = ( 0.6352211 0.1357464 -1.0485924), wk = 0.0035461 k( 235) = ( 0.6314649 0.1349437 -1.0176990), wk = 0.0035461 k( 236) = ( 0.6277088 0.1341410 -0.9868057), wk = 0.0035461 k( 237) = ( 0.6239527 0.1333383 -0.9559124), wk = 0.0035461 k( 238) = ( 0.6201965 0.1325356 -0.9250190), wk = 0.0035461 k( 239) = ( 0.6164404 0.1317330 -0.8941256), wk = 0.0035461 k( 240) = ( 0.6126842 0.1309303 -0.8632323), wk = 0.0035461 k( 241) = ( 0.6089281 0.1301276 -0.8323389), wk = 0.0035461 k( 242) = ( 0.6051720 0.1293249 -0.8014456), wk = 0.0035461 k( 243) = ( 0.6014158 0.1285222 -0.7705522), wk = 0.0035461 k( 244) = ( 0.5976597 0.1277195 -0.7396589), wk = 0.0035461 k( 245) = ( 0.5939035 0.1269168 -0.7087655), wk = 0.0035461 k( 246) = ( 0.5901474 0.1261142 -0.6778722), wk = 0.0035461 k( 247) = ( 0.5863913 0.1253115 -0.6469788), wk = 0.0035461 k( 248) = ( 0.5826351 0.1245088 -0.6160855), wk = 0.0035461 k( 249) = ( 0.5788790 0.1237061 -0.5851921), wk = 0.0035461 k( 250) = ( 0.5751228 0.1229034 -0.5542988), wk = 0.0035461 k( 251) = ( 0.5713667 0.1221007 -0.5234054), wk = 0.0035461 k( 252) = ( 0.5676105 0.1212980 -0.4925121), wk = 0.0035461 k( 253) = ( 0.5638544 0.1204954 -0.4616187), wk = 0.0035461 k( 254) = ( 0.5600983 0.1196927 -0.4307254), wk = 0.0035461 k( 255) = ( 0.5563421 0.1188900 -0.3998320), wk = 0.0035461 k( 256) = ( 0.5525860 0.1180873 -0.3689387), wk = 0.0035461 k( 257) = ( 0.5488298 0.1172846 -0.3380453), wk = 0.0035461 k( 258) = ( 0.5450737 0.1164819 -0.3071519), wk = 0.0035461 k( 259) = ( 0.5413176 0.1156792 -0.2762586), wk = 0.0035461 k( 260) = ( 0.5375614 0.1148766 -0.2453652), wk = 0.0035461 k( 261) = ( 0.5338053 0.1140739 -0.2144719), wk = 0.0035461 k( 262) = ( 0.5300491 0.1132712 -0.1835785), wk = 0.0035461 k( 263) = ( 0.5262930 0.1124685 -0.1526852), wk = 0.0035461 k( 264) = ( 0.5225369 0.1116658 -0.1217918), wk = 0.0035461 k( 265) = ( 0.5187807 0.1108631 -0.0908985), wk = 0.0035461 k( 266) = ( 0.5150246 0.1100605 -0.0600051), wk = 0.0035461 k( 267) = ( 0.5112684 0.1092578 -0.0291118), wk = 0.0035461 k( 268) = ( 0.5075123 0.1084551 0.0017816), wk = 0.0035461 k( 269) = ( 0.5037561 0.1076524 0.0326749), wk = 0.0035461 k( 270) = ( 0.5000000 0.1068497 0.0635683), wk = 0.0035461 k( 271) = ( 0.5000000 -1.1164426 -0.6642071), wk = 0.0035461 k( 272) = ( 0.5293662 -1.1067290 -0.6584281), wk = 0.0035461 k( 273) = ( 0.5587324 -1.0970154 -0.6526492), wk = 0.0035461 k( 274) = ( 0.5880986 -1.0873018 -0.6468703), wk = 0.0035461 k( 275) = ( 0.6174648 -1.0775882 -0.6410913), wk = 0.0035461 k( 276) = ( 0.6468310 -1.0678745 -0.6353124), wk = 0.0035461 k( 277) = ( 0.6761972 -1.0581609 -0.6295335), wk = 0.0035461 k( 278) = ( 0.7055634 -1.0484473 -0.6237545), wk = 0.0035461 k( 279) = ( 0.7349296 -1.0387337 -0.6179756), wk = 0.0035461 k( 280) = ( 0.7642958 -1.0290201 -0.6121967), wk = 0.0035461 k( 281) = ( 0.7936619 -1.0193065 -0.6064177), wk = 0.0035461 k( 282) = ( 0.8230281 -1.0095929 -0.6006388), wk = 0.0035461 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035461 k( 2) = ( 0.0113636 0.0000000 0.0000000), wk = 0.0035461 k( 3) = ( 0.0227273 0.0000000 0.0000000), wk = 0.0035461 k( 4) = ( 0.0340909 0.0000000 0.0000000), wk = 0.0035461 k( 5) = ( 0.0454546 0.0000000 0.0000000), wk = 0.0035461 k( 6) = ( 0.0568182 -0.0000000 0.0000000), wk = 0.0035461 k( 7) = ( 0.0681818 0.0000000 0.0000000), wk = 0.0035461 k( 8) = ( 0.0795455 0.0000000 0.0000000), wk = 0.0035461 k( 9) = ( 0.0909091 0.0000000 0.0000000), wk = 0.0035461 k( 10) = ( 0.1022727 0.0000000 0.0000000), wk = 0.0035461 k( 11) = ( 0.1136364 -0.0000000 0.0000000), wk = 0.0035461 k( 12) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0035461 k( 13) = ( 0.1363636 0.0000000 0.0000000), wk = 0.0035461 k( 14) = ( 0.1477273 0.0000000 0.0000000), wk = 0.0035461 k( 15) = ( 0.1590909 0.0000000 0.0000000), wk = 0.0035461 k( 16) = ( 0.1704546 0.0000000 0.0000000), wk = 0.0035461 k( 17) = ( 0.1818182 0.0000000 0.0000000), wk = 0.0035461 k( 18) = ( 0.1931818 0.0000000 0.0000000), wk = 0.0035461 k( 19) = ( 0.2045454 0.0000000 0.0000000), wk = 0.0035461 k( 20) = ( 0.2159091 0.0000000 0.0000000), wk = 0.0035461 k( 21) = ( 0.2272727 0.0000000 0.0000000), wk = 0.0035461 k( 22) = ( 0.2386364 0.0000000 0.0000000), wk = 0.0035461 k( 23) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0035461 k( 24) = ( 0.2613636 0.0000000 0.0000000), wk = 0.0035461 k( 25) = ( 0.2727273 -0.0000000 0.0000000), wk = 0.0035461 k( 26) = ( 0.2840909 0.0000000 0.0000000), wk = 0.0035461 k( 27) = ( 0.2954545 0.0000000 0.0000000), wk = 0.0035461 k( 28) = ( 0.3068182 0.0000000 0.0000000), wk = 0.0035461 k( 29) = ( 0.3181818 0.0000000 0.0000000), wk = 0.0035461 k( 30) = ( 0.3295455 0.0000000 0.0000000), wk = 0.0035461 k( 31) = ( 0.3409091 0.0000000 -0.0000000), wk = 0.0035461 k( 32) = ( 0.3522727 0.0000000 0.0000000), wk = 0.0035461 k( 33) = ( 0.3636364 0.0000000 0.0000000), wk = 0.0035461 k( 34) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0035461 k( 35) = ( 0.3863636 0.0000000 0.0000000), wk = 0.0035461 k( 36) = ( 0.3977273 0.0000000 0.0000000), wk = 0.0035461 k( 37) = ( 0.4090909 0.0000000 0.0000000), wk = 0.0035461 k( 38) = ( 0.4204545 0.0000000 0.0000000), wk = 0.0035461 k( 39) = ( 0.4318182 0.0000000 0.0000000), wk = 0.0035461 k( 40) = ( 0.4431818 0.0000000 0.0000000), wk = 0.0035461 k( 41) = ( 0.4545455 0.0000000 0.0000000), wk = 0.0035461 k( 42) = ( 0.4659091 0.0000000 -0.0000000), wk = 0.0035461 k( 43) = ( 0.4772727 0.0000000 0.0000000), wk = 0.0035461 k( 44) = ( 0.4886364 0.0000000 0.0000000), wk = 0.0035461 k( 45) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0035461 k( 46) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0035461 k( 47) = ( 0.5000000 0.0065545 -0.0065545), wk = 0.0035461 k( 48) = ( 0.5000000 0.0131090 -0.0131090), wk = 0.0035461 k( 49) = ( 0.5000000 0.0196635 -0.0196635), wk = 0.0035461 k( 50) = ( 0.5000000 0.0262181 -0.0262181), wk = 0.0035461 k( 51) = ( 0.5000000 0.0327726 -0.0327726), wk = 0.0035461 k( 52) = ( 0.5000000 0.0393271 -0.0393271), wk = 0.0035461 k( 53) = ( 0.5000000 0.0458816 -0.0458816), wk = 0.0035461 k( 54) = ( 0.5000000 0.0524361 -0.0524361), wk = 0.0035461 k( 55) = ( 0.5000000 0.0589906 -0.0589906), wk = 0.0035461 k( 56) = ( 0.5000000 0.0655451 -0.0655451), wk = 0.0035461 k( 57) = ( 0.5000000 0.0720997 -0.0720996), wk = 0.0035461 k( 58) = ( 0.5000000 0.0786542 -0.0786542), wk = 0.0035461 k( 59) = ( 0.5000000 0.0852087 -0.0852087), wk = 0.0035461 k( 60) = ( 0.5000000 0.0917632 -0.0917632), wk = 0.0035461 k( 61) = ( 0.5000000 0.0983177 -0.0983177), wk = 0.0035461 k( 62) = ( 0.5000000 0.1048722 -0.1048722), wk = 0.0035461 k( 63) = ( 0.5000000 0.1114267 -0.1114267), wk = 0.0035461 k( 64) = ( 0.5000000 0.1179812 -0.1179812), wk = 0.0035461 k( 65) = ( 0.5000000 0.1245358 -0.1245357), wk = 0.0035461 k( 66) = ( 0.5000000 0.1310903 -0.1310903), wk = 0.0035461 k( 67) = ( 0.5000000 0.1376448 -0.1376448), wk = 0.0035461 k( 68) = ( 0.5000000 0.1441993 -0.1441993), wk = 0.0035461 k( 69) = ( 0.5000000 0.1507538 -0.1507538), wk = 0.0035461 k( 70) = ( 0.5000000 0.1573083 -0.1573083), wk = 0.0035461 k( 71) = ( 0.5000000 0.1638628 -0.1638628), wk = 0.0035461 k( 72) = ( 0.5000000 0.1704173 -0.1704173), wk = 0.0035461 k( 73) = ( 0.5000000 0.1769719 -0.1769719), wk = 0.0035461 k( 74) = ( 0.8230281 0.5000000 0.1769719), wk = 0.0035461 k( 75) = ( 0.8164357 0.5000000 0.1835643), wk = 0.0035461 k( 76) = ( 0.8098433 0.5000000 0.1901567), wk = 0.0035461 k( 77) = ( 0.8032509 0.5000000 0.1967491), wk = 0.0035461 k( 78) = ( 0.7966585 0.5000000 0.2033415), wk = 0.0035461 k( 79) = ( 0.7900661 0.5000000 0.2099339), wk = 0.0035461 k( 80) = ( 0.7834737 0.5000000 0.2165263), wk = 0.0035461 k( 81) = ( 0.7768813 0.5000000 0.2231187), wk = 0.0035461 k( 82) = ( 0.7702889 0.5000000 0.2297112), wk = 0.0035461 k( 83) = ( 0.7636964 0.5000000 0.2363036), wk = 0.0035461 k( 84) = ( 0.7571040 0.5000000 0.2428960), wk = 0.0035461 k( 85) = ( 0.7505116 0.5000000 0.2494884), wk = 0.0035461 k( 86) = ( 0.7439192 0.5000000 0.2560808), wk = 0.0035461 k( 87) = ( 0.7373268 0.5000000 0.2626732), wk = 0.0035461 k( 88) = ( 0.7307344 0.5000000 0.2692656), wk = 0.0035461 k( 89) = ( 0.7241420 0.5000000 0.2758580), wk = 0.0035461 k( 90) = ( 0.7175496 0.5000000 0.2824504), wk = 0.0035461 k( 91) = ( 0.7109572 0.5000000 0.2890429), wk = 0.0035461 k( 92) = ( 0.7043647 0.5000000 0.2956353), wk = 0.0035461 k( 93) = ( 0.6977723 0.5000000 0.3022277), wk = 0.0035461 k( 94) = ( 0.6911799 0.5000000 0.3088201), wk = 0.0035461 k( 95) = ( 0.6845875 0.5000000 0.3154125), wk = 0.0035461 k( 96) = ( 0.6779951 0.5000000 0.3220049), wk = 0.0035461 k( 97) = ( 0.6714027 0.5000000 0.3285973), wk = 0.0035461 k( 98) = ( 0.6648103 0.5000000 0.3351897), wk = 0.0035461 k( 99) = ( 0.6582179 0.5000000 0.3417821), wk = 0.0035461 k( 100) = ( 0.6516255 0.5000000 0.3483746), wk = 0.0035461 k( 101) = ( 0.6450330 0.5000000 0.3549670), wk = 0.0035461 k( 102) = ( 0.6384406 0.5000000 0.3615594), wk = 0.0035461 k( 103) = ( 0.6318482 0.5000000 0.3681518), wk = 0.0035461 k( 104) = ( 0.6252558 0.5000000 0.3747442), wk = 0.0035461 k( 105) = ( 0.6186634 0.5000000 0.3813366), wk = 0.0035461 k( 106) = ( 0.6120710 0.5000000 0.3879290), wk = 0.0035461 k( 107) = ( 0.6054786 0.5000000 0.3945214), wk = 0.0035461 k( 108) = ( 0.5988862 0.5000000 0.4011138), wk = 0.0035461 k( 109) = ( 0.5922937 0.5000000 0.4077062), wk = 0.0035461 k( 110) = ( 0.5857013 0.5000000 0.4142987), wk = 0.0035461 k( 111) = ( 0.5791089 0.5000000 0.4208911), wk = 0.0035461 k( 112) = ( 0.5725165 0.5000000 0.4274835), wk = 0.0035461 k( 113) = ( 0.5659241 0.5000000 0.4340759), wk = 0.0035461 k( 114) = ( 0.5593317 0.5000000 0.4406683), wk = 0.0035461 k( 115) = ( 0.5527393 0.5000000 0.4472607), wk = 0.0035461 k( 116) = ( 0.5461469 0.5000000 0.4538531), wk = 0.0035461 k( 117) = ( 0.5395545 0.5000000 0.4604455), wk = 0.0035461 k( 118) = ( 0.5329621 0.5000000 0.4670379), wk = 0.0035461 k( 119) = ( 0.5263696 0.5000000 0.4736304), wk = 0.0035461 k( 120) = ( 0.5197772 0.5000000 0.4802228), wk = 0.0035461 k( 121) = ( 0.5131848 0.5000000 0.4868152), wk = 0.0035461 k( 122) = ( 0.5065924 0.5000000 0.4934076), wk = 0.0035461 k( 123) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035461 k( 124) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035461 k( 125) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0035461 k( 126) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0035461 k( 127) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0035461 k( 128) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0035461 k( 129) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0035461 k( 130) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0035461 k( 131) = ( 0.2941177 0.2941177 0.2941177), wk = 0.0035461 k( 132) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0035461 k( 133) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0035461 k( 134) = ( 0.2058823 0.2058824 0.2058824), wk = 0.0035461 k( 135) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0035461 k( 136) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0035461 k( 137) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0035461 k( 138) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0035461 k( 139) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0035461 k( 140) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0035461 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035461 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035461 k( 143) = ( 0.0066370 0.0000000 -0.0066370), wk = 0.0035461 k( 144) = ( 0.0132740 0.0000000 -0.0132740), wk = 0.0035461 k( 145) = ( 0.0199109 0.0000000 -0.0199109), wk = 0.0035461 k( 146) = ( 0.0265479 0.0000000 -0.0265479), wk = 0.0035461 k( 147) = ( 0.0331849 0.0000000 -0.0331849), wk = 0.0035461 k( 148) = ( 0.0398219 0.0000000 -0.0398219), wk = 0.0035461 k( 149) = ( 0.0464589 -0.0000000 -0.0464588), wk = 0.0035461 k( 150) = ( 0.0530958 0.0000000 -0.0530958), wk = 0.0035461 k( 151) = ( 0.0597328 0.0000000 -0.0597328), wk = 0.0035461 k( 152) = ( 0.0663698 0.0000000 -0.0663698), wk = 0.0035461 k( 153) = ( 0.0730068 0.0000000 -0.0730068), wk = 0.0035461 k( 154) = ( 0.0796437 0.0000000 -0.0796437), wk = 0.0035461 k( 155) = ( 0.0862807 0.0000000 -0.0862807), wk = 0.0035461 k( 156) = ( 0.0929177 0.0000000 -0.0929177), wk = 0.0035461 k( 157) = ( 0.0995547 0.0000000 -0.0995547), wk = 0.0035461 k( 158) = ( 0.1061917 0.0000000 -0.1061917), wk = 0.0035461 k( 159) = ( 0.1128286 0.0000000 -0.1128286), wk = 0.0035461 k( 160) = ( 0.1194656 0.0000000 -0.1194656), wk = 0.0035461 k( 161) = ( 0.1261026 0.0000000 -0.1261026), wk = 0.0035461 k( 162) = ( 0.1327396 0.0000000 -0.1327396), wk = 0.0035461 k( 163) = ( 0.1393766 -0.0000000 -0.1393766), wk = 0.0035461 k( 164) = ( 0.1460135 0.0000000 -0.1460135), wk = 0.0035461 k( 165) = ( 0.1526505 0.0000000 -0.1526505), wk = 0.0035461 k( 166) = ( 0.1592875 0.0000000 -0.1592875), wk = 0.0035461 k( 167) = ( 0.1659245 0.0000000 -0.1659245), wk = 0.0035461 k( 168) = ( 0.1725615 -0.0000000 -0.1725614), wk = 0.0035461 k( 169) = ( 0.1791984 0.0000000 -0.1791984), wk = 0.0035461 k( 170) = ( 0.1858354 0.0000000 -0.1858354), wk = 0.0035461 k( 171) = ( 0.1924724 0.0000000 -0.1924724), wk = 0.0035461 k( 172) = ( 0.1991094 0.0000000 -0.1991094), wk = 0.0035461 k( 173) = ( 0.2057463 0.0000000 -0.2057463), wk = 0.0035461 k( 174) = ( 0.2123833 0.0000000 -0.2123833), wk = 0.0035461 k( 175) = ( 0.2190203 0.0000000 -0.2190203), wk = 0.0035461 k( 176) = ( 0.2256573 0.0000000 -0.2256573), wk = 0.0035461 k( 177) = ( 0.2322943 0.0000000 -0.2322943), wk = 0.0035461 k( 178) = ( 0.2389312 0.0000000 -0.2389312), wk = 0.0035461 k( 179) = ( 0.2455682 0.0000000 -0.2455682), wk = 0.0035461 k( 180) = ( 0.2522052 0.0000000 -0.2522052), wk = 0.0035461 k( 181) = ( 0.2588422 0.0000000 -0.2588422), wk = 0.0035461 k( 182) = ( 0.2654792 0.0000000 -0.2654792), wk = 0.0035461 k( 183) = ( 0.2721161 0.0000000 -0.2721161), wk = 0.0035461 k( 184) = ( 0.2787531 -0.0000000 -0.2787531), wk = 0.0035461 k( 185) = ( 0.2853901 0.0000000 -0.2853901), wk = 0.0035461 k( 186) = ( 0.2920271 0.0000000 -0.2920271), wk = 0.0035461 k( 187) = ( 0.2986641 0.0000000 -0.2986641), wk = 0.0035461 k( 188) = ( 0.3053010 0.0000000 -0.3053010), wk = 0.0035461 k( 189) = ( 0.3119380 0.0000000 -0.3119380), wk = 0.0035461 k( 190) = ( 0.3185750 0.0000000 -0.3185750), wk = 0.0035461 k( 191) = ( 0.3252120 -0.0000000 -0.3252120), wk = 0.0035461 k( 192) = ( 0.3318489 0.0000000 -0.3318489), wk = 0.0035461 k( 193) = ( 0.3384859 0.0000000 -0.3384859), wk = 0.0035461 k( 194) = ( 0.6615141 0.3384859 0.0000000), wk = 0.0035461 k( 195) = ( 0.6550535 0.3449465 0.0000000), wk = 0.0035461 k( 196) = ( 0.6485929 0.3514071 0.0000000), wk = 0.0035461 k( 197) = ( 0.6421324 0.3578676 0.0000000), wk = 0.0035461 k( 198) = ( 0.6356718 0.3643282 0.0000000), wk = 0.0035461 k( 199) = ( 0.6292113 0.3707887 0.0000000), wk = 0.0035461 k( 200) = ( 0.6227507 0.3772493 0.0000000), wk = 0.0035461 k( 201) = ( 0.6162901 0.3837099 0.0000000), wk = 0.0035461 k( 202) = ( 0.6098296 0.3901704 0.0000000), wk = 0.0035461 k( 203) = ( 0.6033690 0.3966310 0.0000000), wk = 0.0035461 k( 204) = ( 0.5969084 0.4030916 0.0000000), wk = 0.0035461 k( 205) = ( 0.5904479 0.4095521 0.0000000), wk = 0.0035461 k( 206) = ( 0.5839873 0.4160127 0.0000000), wk = 0.0035461 k( 207) = ( 0.5775267 0.4224733 0.0000000), wk = 0.0035461 k( 208) = ( 0.5710662 0.4289338 0.0000000), wk = 0.0035461 k( 209) = ( 0.5646056 0.4353944 -0.0000000), wk = 0.0035461 k( 210) = ( 0.5581451 0.4418549 0.0000000), wk = 0.0035461 k( 211) = ( 0.5516845 0.4483155 0.0000000), wk = 0.0035461 k( 212) = ( 0.5452239 0.4547761 -0.0000000), wk = 0.0035461 k( 213) = ( 0.5387634 0.4612366 0.0000000), wk = 0.0035461 k( 214) = ( 0.5323028 0.4676972 0.0000000), wk = 0.0035461 k( 215) = ( 0.5258422 0.4741578 -0.0000000), wk = 0.0035461 k( 216) = ( 0.5193817 0.4806183 0.0000000), wk = 0.0035461 k( 217) = ( 0.5129211 0.4870789 0.0000000), wk = 0.0035461 k( 218) = ( 0.5064606 0.4935394 -0.0000000), wk = 0.0035461 k( 219) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035461 k( 220) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035461 k( 221) = ( 0.5269190 0.5269190 0.0294953), wk = 0.0035461 k( 222) = ( 0.5538380 0.5538380 0.0589906), wk = 0.0035461 k( 223) = ( 0.5807570 0.5807570 0.0884859), wk = 0.0035461 k( 224) = ( 0.6076761 0.6076761 0.1179812), wk = 0.0035461 k( 225) = ( 0.6345951 0.6345951 0.1474766), wk = 0.0035461 k( 226) = ( 0.6615141 0.6615141 0.1769719), wk = 0.0035461 k( 227) = ( 0.6615141 0.6615141 0.1769719), wk = 0.0035461 k( 228) = ( 0.6577579 0.6577579 0.1844841), wk = 0.0035461 k( 229) = ( 0.6540018 0.6540018 0.1919964), wk = 0.0035461 k( 230) = ( 0.6502457 0.6502457 0.1995087), wk = 0.0035461 k( 231) = ( 0.6464895 0.6464895 0.2070210), wk = 0.0035461 k( 232) = ( 0.6427334 0.6427334 0.2145333), wk = 0.0035461 k( 233) = ( 0.6389772 0.6389772 0.2220456), wk = 0.0035461 k( 234) = ( 0.6352211 0.6352211 0.2295578), wk = 0.0035461 k( 235) = ( 0.6314649 0.6314649 0.2370701), wk = 0.0035461 k( 236) = ( 0.6277088 0.6277088 0.2445824), wk = 0.0035461 k( 237) = ( 0.6239527 0.6239527 0.2520947), wk = 0.0035461 k( 238) = ( 0.6201965 0.6201965 0.2596070), wk = 0.0035461 k( 239) = ( 0.6164404 0.6164404 0.2671193), wk = 0.0035461 k( 240) = ( 0.6126842 0.6126842 0.2746315), wk = 0.0035461 k( 241) = ( 0.6089281 0.6089281 0.2821438), wk = 0.0035461 k( 242) = ( 0.6051720 0.6051720 0.2896561), wk = 0.0035461 k( 243) = ( 0.6014158 0.6014158 0.2971684), wk = 0.0035461 k( 244) = ( 0.5976597 0.5976597 0.3046807), wk = 0.0035461 k( 245) = ( 0.5939035 0.5939035 0.3121929), wk = 0.0035461 k( 246) = ( 0.5901474 0.5901474 0.3197052), wk = 0.0035461 k( 247) = ( 0.5863913 0.5863913 0.3272175), wk = 0.0035461 k( 248) = ( 0.5826351 0.5826351 0.3347298), wk = 0.0035461 k( 249) = ( 0.5788790 0.5788790 0.3422421), wk = 0.0035461 k( 250) = ( 0.5751228 0.5751228 0.3497544), wk = 0.0035461 k( 251) = ( 0.5713667 0.5713667 0.3572666), wk = 0.0035461 k( 252) = ( 0.5676105 0.5676105 0.3647789), wk = 0.0035461 k( 253) = ( 0.5638544 0.5638544 0.3722912), wk = 0.0035461 k( 254) = ( 0.5600983 0.5600983 0.3798035), wk = 0.0035461 k( 255) = ( 0.5563421 0.5563421 0.3873158), wk = 0.0035461 k( 256) = ( 0.5525860 0.5525860 0.3948281), wk = 0.0035461 k( 257) = ( 0.5488298 0.5488298 0.4023403), wk = 0.0035461 k( 258) = ( 0.5450737 0.5450737 0.4098526), wk = 0.0035461 k( 259) = ( 0.5413176 0.5413176 0.4173649), wk = 0.0035461 k( 260) = ( 0.5375614 0.5375614 0.4248772), wk = 0.0035461 k( 261) = ( 0.5338053 0.5338053 0.4323895), wk = 0.0035461 k( 262) = ( 0.5300491 0.5300491 0.4399017), wk = 0.0035461 k( 263) = ( 0.5262930 0.5262930 0.4474140), wk = 0.0035461 k( 264) = ( 0.5225369 0.5225369 0.4549263), wk = 0.0035461 k( 265) = ( 0.5187807 0.5187807 0.4624386), wk = 0.0035461 k( 266) = ( 0.5150246 0.5150246 0.4699509), wk = 0.0035461 k( 267) = ( 0.5112684 0.5112684 0.4774632), wk = 0.0035461 k( 268) = ( 0.5075123 0.5075123 0.4849754), wk = 0.0035461 k( 269) = ( 0.5037561 0.5037561 0.4924877), wk = 0.0035461 k( 270) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035461 k( 271) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0035461 k( 272) = ( 0.5293662 0.0307715 0.0307715), wk = 0.0035461 k( 273) = ( 0.5587324 0.0615429 0.0615429), wk = 0.0035461 k( 274) = ( 0.5880986 0.0923143 0.0923143), wk = 0.0035461 k( 275) = ( 0.6174648 0.1230858 0.1230858), wk = 0.0035461 k( 276) = ( 0.6468310 0.1538572 0.1538572), wk = 0.0035461 k( 277) = ( 0.6761972 0.1846287 0.1846287), wk = 0.0035461 k( 278) = ( 0.7055634 0.2154001 0.2154001), wk = 0.0035461 k( 279) = ( 0.7349296 0.2461716 0.2461716), wk = 0.0035461 k( 280) = ( 0.7642958 0.2769430 0.2769430), wk = 0.0035461 k( 281) = ( 0.7936619 0.3077145 0.3077145), wk = 0.0035461 k( 282) = ( 0.8230281 0.3384859 0.3384859), wk = 0.0035461 Dense grid: 163823 G-vectors FFT dimensions: ( 135, 135, 135) Smooth grid: 41815 G-vectors FFT dimensions: ( 81, 81, 81) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.27 Mb ( 304, 58) NL pseudopotentials 0.30 Mb ( 152, 130) Each V/rho on FFT grid 1.11 Mb ( 72900) Each G-vector array 0.03 Mb ( 4552) G-vector shells 0.03 Mb ( 3716) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.08 Mb ( 304, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.23 Mb ( 130, 2, 58) The potential is recalculated from file : ./Bi2TeSe2.save/charge-density.dat Starting wfc are 60 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.9 secs Computing kpt #: 2 total cpu time spent up to now is 6.4 secs Computing kpt #: 3 total cpu time spent up to now is 7.9 secs Computing kpt #: 4 total cpu time spent up to now is 9.3 secs Computing kpt #: 5 total cpu time spent up to now is 10.8 secs Computing kpt #: 6 total cpu time spent up to now is 12.4 secs Computing kpt #: 7 total cpu time spent up to now is 13.9 secs Computing kpt #: 8 total cpu time spent up to now is 15.5 secs Computing kpt #: 9 total cpu time spent up to now is 17.1 secs Computing kpt #: 10 total cpu time spent up to now is 18.6 secs Computing kpt #: 11 total cpu time spent up to now is 20.2 secs Computing kpt #: 12 total cpu time spent up to now is 21.8 secs Computing kpt #: 13 total cpu time spent up to now is 23.4 secs Computing kpt #: 14 total cpu time spent up to now is 25.0 secs Computing kpt #: 15 total cpu time spent up to now is 26.5 secs Computing kpt #: 16 total cpu time spent up to now is 28.1 secs Computing kpt #: 17 total cpu time spent up to now is 29.6 secs Computing kpt #: 18 total cpu time spent up to now is 31.2 secs Computing kpt #: 19 total cpu time spent up to now is 32.8 secs Computing kpt #: 20 total cpu time spent up to now is 34.3 secs Computing kpt #: 21 total cpu time spent up to now is 35.9 secs Computing kpt #: 22 total cpu time spent up to now is 37.5 secs Computing kpt #: 23 total cpu time spent up to now is 39.1 secs Computing kpt #: 24 total cpu time spent up to now is 40.7 secs Computing kpt #: 25 total cpu time spent up to now is 42.3 secs Computing kpt #: 26 total cpu time spent up to now is 43.8 secs Computing kpt #: 27 total cpu time spent up to now is 45.5 secs Computing kpt #: 28 total cpu time spent up to now is 47.0 secs Computing kpt #: 29 total cpu time spent up to now is 48.6 secs Computing kpt #: 30 total cpu time spent up to now is 50.2 secs Computing kpt #: 31 total cpu time spent up to now is 51.8 secs Computing kpt #: 32 total cpu time spent up to now is 53.4 secs Computing kpt #: 33 total cpu time spent up to now is 55.0 secs Computing kpt #: 34 total cpu time spent up to now is 56.6 secs Computing kpt #: 35 total cpu time spent up to now is 58.2 secs Computing kpt #: 36 total cpu time spent up to now is 59.8 secs Computing kpt #: 37 total cpu time spent up to now is 61.3 secs Computing kpt #: 38 total cpu time spent up to now is 62.9 secs Computing kpt #: 39 total cpu time spent up to now is 64.5 secs Computing kpt #: 40 total cpu time spent up to now is 66.1 secs Computing kpt #: 41 total cpu time spent up to now is 67.6 secs Computing kpt #: 42 total cpu time spent up to now is 69.2 secs Computing kpt #: 43 total cpu time spent up to now is 70.8 secs Computing kpt #: 44 total cpu time spent up to now is 72.4 secs Computing kpt #: 45 total cpu time spent up to now is 74.0 secs Computing kpt #: 46 total cpu time spent up to now is 75.6 secs Computing kpt #: 47 total cpu time spent up to now is 77.2 secs Computing kpt #: 48 total cpu time spent up to now is 78.7 secs Computing kpt #: 49 total cpu time spent up to now is 80.3 secs Computing kpt #: 50 total cpu time spent up to now is 81.9 secs Computing kpt #: 51 total cpu time spent up to now is 83.5 secs Computing kpt #: 52 total cpu time spent up to now is 85.0 secs Computing kpt #: 53 total cpu time spent up to now is 87.0 secs Computing kpt #: 54 total cpu time spent up to now is 88.6 secs Computing kpt #: 55 total cpu time spent up to now is 90.1 secs Computing kpt #: 56 total cpu time spent up to now is 91.7 secs Computing kpt #: 57 total cpu time spent up to now is 93.3 secs Computing kpt #: 58 total cpu time spent up to now is 94.8 secs Computing kpt #: 59 total cpu time spent up to now is 96.4 secs Computing kpt #: 60 total cpu time spent up to now is 98.0 secs Computing kpt #: 61 total cpu time spent up to now is 99.5 secs Computing kpt #: 62 total cpu time spent up to now is 101.1 secs Computing kpt #: 63 total cpu time spent up to now is 102.7 secs Computing kpt #: 64 total cpu time spent up to now is 104.3 secs Computing kpt #: 65 total cpu time spent up to now is 105.8 secs Computing kpt #: 66 total cpu time spent up to now is 107.4 secs Computing kpt #: 67 total cpu time spent up to now is 109.0 secs Computing kpt #: 68 total cpu time spent up to now is 110.5 secs Computing kpt #: 69 total cpu time spent up to now is 112.1 secs Computing kpt #: 70 total cpu time spent up to now is 113.7 secs Computing kpt #: 71 total cpu time spent up to now is 115.3 secs Computing kpt #: 72 total cpu time spent up to now is 116.8 secs Computing kpt #: 73 total cpu time spent up to now is 118.4 secs Computing kpt #: 74 total cpu time spent up to now is 119.9 secs Computing kpt #: 75 total cpu time spent up to now is 121.5 secs Computing kpt #: 76 total cpu time spent up to now is 123.0 secs Computing kpt #: 77 total cpu time spent up to now is 124.6 secs Computing kpt #: 78 total cpu time spent up to now is 126.1 secs Computing kpt #: 79 total cpu time spent up to now is 127.9 secs Computing kpt #: 80 total cpu time spent up to now is 129.5 secs Computing kpt #: 81 total cpu time spent up to now is 131.1 secs Computing kpt #: 82 total cpu time spent up to now is 132.6 secs Computing kpt #: 83 total cpu time spent up to now is 137.5 secs Computing kpt #: 84 total cpu time spent up to now is 139.0 secs Computing kpt #: 85 total cpu time spent up to now is 140.5 secs Computing kpt #: 86 total cpu time spent up to now is 142.1 secs Computing kpt #: 87 total cpu time spent up to now is 143.6 secs Computing kpt #: 88 total cpu time spent up to now is 145.1 secs Computing kpt #: 89 total cpu time spent up to now is 146.6 secs Computing kpt #: 90 total cpu time spent up to now is 148.2 secs Computing kpt #: 91 total cpu time spent up to now is 149.9 secs Computing kpt #: 92 total cpu time spent up to now is 151.4 secs Computing kpt #: 93 total cpu time spent up to now is 153.0 secs Computing kpt #: 94 total cpu time spent up to now is 154.5 secs Computing kpt #: 95 total cpu time spent up to now is 156.1 secs Computing kpt #: 96 total cpu time spent up to now is 157.6 secs Computing kpt #: 97 total cpu time spent up to now is 159.2 secs Computing kpt #: 98 total cpu time spent up to now is 160.8 secs Computing kpt #: 99 total cpu time spent up to now is 162.3 secs Computing kpt #: 100 total cpu time spent up to now is 163.9 secs Computing kpt #: 101 total cpu time spent up to now is 165.4 secs Computing kpt #: 102 total cpu time spent up to now is 167.0 secs Computing kpt #: 103 total cpu time spent up to now is 168.6 secs Computing kpt #: 104 total cpu time spent up to now is 170.1 secs Computing kpt #: 105 total cpu time spent up to now is 171.7 secs Computing kpt #: 106 total cpu time spent up to now is 173.3 secs Computing kpt #: 107 total cpu time spent up to now is 174.8 secs Computing kpt #: 108 total cpu time spent up to now is 176.4 secs Computing kpt #: 109 total cpu time spent up to now is 177.9 secs Computing kpt #: 110 total cpu time spent up to now is 179.5 secs Computing kpt #: 111 total cpu time spent up to now is 181.3 secs Computing kpt #: 112 total cpu time spent up to now is 182.9 secs Computing kpt #: 113 total cpu time spent up to now is 184.4 secs Computing kpt #: 114 total cpu time spent up to now is 186.0 secs Computing kpt #: 115 total cpu time spent up to now is 187.6 secs Computing kpt #: 116 total cpu time spent up to now is 189.1 secs Computing kpt #: 117 total cpu time spent up to now is 190.7 secs Computing kpt #: 118 total cpu time spent up to now is 192.2 secs Computing kpt #: 119 total cpu time spent up to now is 193.7 secs Computing kpt #: 120 total cpu time spent up to now is 195.5 secs Computing kpt #: 121 total cpu time spent up to now is 197.2 secs Computing kpt #: 122 total cpu time spent up to now is 198.7 secs Computing kpt #: 123 total cpu time spent up to now is 200.1 secs Computing kpt #: 124 total cpu time spent up to now is 201.6 secs Computing kpt #: 125 total cpu time spent up to now is 203.0 secs Computing kpt #: 126 total cpu time spent up to now is 204.5 secs Computing kpt #: 127 total cpu time spent up to now is 206.0 secs Computing kpt #: 128 total cpu time spent up to now is 207.4 secs Computing kpt #: 129 total cpu time spent up to now is 208.9 secs Computing kpt #: 130 total cpu time spent up to now is 210.3 secs Computing kpt #: 131 total cpu time spent up to now is 211.8 secs Computing kpt #: 132 total cpu time spent up to now is 213.3 secs Computing kpt #: 133 total cpu time spent up to now is 214.7 secs Computing kpt #: 134 total cpu time spent up to now is 216.2 secs Computing kpt #: 135 total cpu time spent up to now is 217.7 secs Computing kpt #: 136 total cpu time spent up to now is 219.1 secs Computing kpt #: 137 total cpu time spent up to now is 220.6 secs Computing kpt #: 138 total cpu time spent up to now is 222.0 secs Computing kpt #: 139 total cpu time spent up to now is 223.5 secs Computing kpt #: 140 total cpu time spent up to now is 224.9 secs Computing kpt #: 141 total cpu time spent up to now is 226.4 secs Computing kpt #: 142 total cpu time spent up to now is 227.8 secs Computing kpt #: 143 total cpu time spent up to now is 229.3 secs Computing kpt #: 144 total cpu time spent up to now is 230.8 secs Computing kpt #: 145 total cpu time spent up to now is 232.3 secs Computing kpt #: 146 total cpu time spent up to now is 233.8 secs Computing kpt #: 147 total cpu time spent up to now is 235.3 secs Computing kpt #: 148 total cpu time spent up to now is 236.9 secs Computing kpt #: 149 total cpu time spent up to now is 238.4 secs Computing kpt #: 150 total cpu time spent up to now is 240.0 secs Computing kpt #: 151 total cpu time spent up to now is 241.6 secs Computing kpt #: 152 total cpu time spent up to now is 243.2 secs Computing kpt #: 153 total cpu time spent up to now is 244.7 secs Computing kpt #: 154 total cpu time spent up to now is 246.3 secs Computing kpt #: 155 total cpu time spent up to now is 247.8 secs Computing kpt #: 156 total cpu time spent up to now is 249.4 secs Computing kpt #: 157 total cpu time spent up to now is 250.9 secs Computing kpt #: 158 total cpu time spent up to now is 252.4 secs Computing kpt #: 159 total cpu time spent up to now is 254.0 secs Computing kpt #: 160 total cpu time spent up to now is 255.5 secs Computing kpt #: 161 total cpu time spent up to now is 257.1 secs Computing kpt #: 162 total cpu time spent up to now is 258.6 secs Computing kpt #: 163 total cpu time spent up to now is 260.2 secs Computing kpt #: 164 total cpu time spent up to now is 261.7 secs Computing kpt #: 165 total cpu time spent up to now is 263.2 secs Computing kpt #: 166 total cpu time spent up to now is 264.8 secs Computing kpt #: 167 total cpu time spent up to now is 266.3 secs Computing kpt #: 168 total cpu time spent up to now is 267.9 secs Computing kpt #: 169 total cpu time spent up to now is 269.4 secs Computing kpt #: 170 total cpu time spent up to now is 271.0 secs Computing kpt #: 171 total cpu time spent up to now is 272.5 secs Computing kpt #: 172 total cpu time spent up to now is 274.1 secs Computing kpt #: 173 total cpu time spent up to now is 275.6 secs Computing kpt #: 174 total cpu time spent up to now is 277.1 secs Computing kpt #: 175 total cpu time spent up to now is 278.7 secs Computing kpt #: 176 total cpu time spent up to now is 280.2 secs Computing kpt #: 177 total cpu time spent up to now is 281.7 secs Computing kpt #: 178 total cpu time spent up to now is 283.3 secs Computing kpt #: 179 total cpu time spent up to now is 284.8 secs Computing kpt #: 180 total cpu time spent up to now is 286.4 secs Computing kpt #: 181 total cpu time spent up to now is 288.0 secs Computing kpt #: 182 total cpu time spent up to now is 289.5 secs Computing kpt #: 183 total cpu time spent up to now is 291.1 secs Computing kpt #: 184 total cpu time spent up to now is 292.7 secs Computing kpt #: 185 total cpu time spent up to now is 294.3 secs Computing kpt #: 186 total cpu time spent up to now is 295.8 secs Computing kpt #: 187 total cpu time spent up to now is 297.4 secs Computing kpt #: 188 total cpu time spent up to now is 299.0 secs Computing kpt #: 189 total cpu time spent up to now is 300.6 secs Computing kpt #: 190 total cpu time spent up to now is 302.1 secs Computing kpt #: 191 total cpu time spent up to now is 303.7 secs Computing kpt #: 192 total cpu time spent up to now is 305.3 secs Computing kpt #: 193 total cpu time spent up to now is 306.8 secs Computing kpt #: 194 total cpu time spent up to now is 308.4 secs Computing kpt #: 195 total cpu time spent up to now is 309.9 secs Computing kpt #: 196 total cpu time spent up to now is 311.4 secs Computing kpt #: 197 total cpu time spent up to now is 312.9 secs Computing kpt #: 198 total cpu time spent up to now is 314.5 secs Computing kpt #: 199 total cpu time spent up to now is 316.0 secs Computing kpt #: 200 total cpu time spent up to now is 317.6 secs Computing kpt #: 201 total cpu time spent up to now is 319.1 secs Computing kpt #: 202 total cpu time spent up to now is 321.0 secs Computing kpt #: 203 total cpu time spent up to now is 322.8 secs Computing kpt #: 204 total cpu time spent up to now is 324.7 secs Computing kpt #: 205 total cpu time spent up to now is 326.3 secs Computing kpt #: 206 total cpu time spent up to now is 327.8 secs Computing kpt #: 207 total cpu time spent up to now is 329.4 secs Computing kpt #: 208 total cpu time spent up to now is 331.0 secs Computing kpt #: 209 total cpu time spent up to now is 332.5 secs Computing kpt #: 210 total cpu time spent up to now is 334.1 secs Computing kpt #: 211 total cpu time spent up to now is 335.7 secs Computing kpt #: 212 total cpu time spent up to now is 337.3 secs Computing kpt #: 213 total cpu time spent up to now is 338.9 secs Computing kpt #: 214 total cpu time spent up to now is 340.4 secs Computing kpt #: 215 total cpu time spent up to now is 342.0 secs Computing kpt #: 216 total cpu time spent up to now is 343.5 secs Computing kpt #: 217 total cpu time spent up to now is 345.0 secs Computing kpt #: 218 total cpu time spent up to now is 346.6 secs Computing kpt #: 219 total cpu time spent up to now is 348.1 secs Computing kpt #: 220 total cpu time spent up to now is 349.6 secs Computing kpt #: 221 total cpu time spent up to now is 351.1 secs Computing kpt #: 222 total cpu time spent up to now is 352.6 secs Computing kpt #: 223 total cpu time spent up to now is 354.2 secs Computing kpt #: 224 total cpu time spent up to now is 355.7 secs Computing kpt #: 225 total cpu time spent up to now is 357.3 secs Computing kpt #: 226 total cpu time spent up to now is 358.8 secs Computing kpt #: 227 total cpu time spent up to now is 360.3 secs Computing kpt #: 228 total cpu time spent up to now is 361.9 secs Computing kpt #: 229 total cpu time spent up to now is 363.4 secs Computing kpt #: 230 total cpu time spent up to now is 365.0 secs Computing kpt #: 231 total cpu time spent up to now is 366.5 secs Computing kpt #: 232 total cpu time spent up to now is 368.1 secs Computing kpt #: 233 total cpu time spent up to now is 369.7 secs Computing kpt #: 234 total cpu time spent up to now is 371.2 secs Computing kpt #: 235 total cpu time spent up to now is 372.8 secs Computing kpt #: 236 total cpu time spent up to now is 374.4 secs Computing kpt #: 237 total cpu time spent up to now is 376.0 secs Computing kpt #: 238 total cpu time spent up to now is 377.5 secs Computing kpt #: 239 total cpu time spent up to now is 379.1 secs Computing kpt #: 240 total cpu time spent up to now is 380.7 secs Computing kpt #: 241 total cpu time spent up to now is 382.3 secs Computing kpt #: 242 total cpu time spent up to now is 383.9 secs Computing kpt #: 243 total cpu time spent up to now is 385.5 secs Computing kpt #: 244 total cpu time spent up to now is 387.1 secs Computing kpt #: 245 total cpu time spent up to now is 388.7 secs Computing kpt #: 246 total cpu time spent up to now is 390.3 secs Computing kpt #: 247 total cpu time spent up to now is 391.9 secs Computing kpt #: 248 total cpu time spent up to now is 393.5 secs Computing kpt #: 249 total cpu time spent up to now is 395.1 secs Computing kpt #: 250 total cpu time spent up to now is 396.7 secs Computing kpt #: 251 total cpu time spent up to now is 398.3 secs Computing kpt #: 252 total cpu time spent up to now is 399.9 secs Computing kpt #: 253 total cpu time spent up to now is 401.4 secs Computing kpt #: 254 total cpu time spent up to now is 403.0 secs Computing kpt #: 255 total cpu time spent up to now is 404.5 secs Computing kpt #: 256 total cpu time spent up to now is 406.1 secs Computing kpt #: 257 total cpu time spent up to now is 407.6 secs Computing kpt #: 258 total cpu time spent up to now is 409.1 secs Computing kpt #: 259 total cpu time spent up to now is 410.7 secs Computing kpt #: 260 total cpu time spent up to now is 412.2 secs Computing kpt #: 261 total cpu time spent up to now is 413.8 secs Computing kpt #: 262 total cpu time spent up to now is 415.4 secs Computing kpt #: 263 total cpu time spent up to now is 417.0 secs Computing kpt #: 264 total cpu time spent up to now is 418.5 secs Computing kpt #: 265 total cpu time spent up to now is 420.1 secs Computing kpt #: 266 total cpu time spent up to now is 421.6 secs Computing kpt #: 267 total cpu time spent up to now is 423.0 secs Computing kpt #: 268 total cpu time spent up to now is 424.5 secs Computing kpt #: 269 total cpu time spent up to now is 426.0 secs Computing kpt #: 270 total cpu time spent up to now is 427.4 secs Computing kpt #: 271 total cpu time spent up to now is 429.0 secs Computing kpt #: 272 total cpu time spent up to now is 430.6 secs Computing kpt #: 273 total cpu time spent up to now is 432.2 secs Computing kpt #: 274 total cpu time spent up to now is 433.7 secs Computing kpt #: 275 total cpu time spent up to now is 435.3 secs Computing kpt #: 276 total cpu time spent up to now is 436.9 secs Computing kpt #: 277 total cpu time spent up to now is 438.4 secs Computing kpt #: 278 total cpu time spent up to now is 440.0 secs Computing kpt #: 279 total cpu time spent up to now is 441.5 secs Computing kpt #: 280 total cpu time spent up to now is 443.1 secs Computing kpt #: 281 total cpu time spent up to now is 444.6 secs Computing kpt #: 282 total cpu time spent up to now is 446.2 secs ethr = 2.08E-08, avg # of iterations = 18.1 total cpu time spent up to now is 446.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5247 PWs) bands (ev): -16.4887 -16.4887 -16.4879 -16.4879 -16.4812 -16.4812 -16.4795 -16.4795 -13.5229 -13.5229 -13.5187 -13.5187 -13.5062 -13.5062 -13.5049 -13.5049 -13.5041 -13.5041 -13.4997 -13.4997 -6.1219 -6.1219 -5.2718 -5.2718 -4.3795 -4.3795 -1.8001 -1.8001 0.0583 0.0583 5.1385 5.1385 5.7224 5.7224 6.2508 6.2508 6.4247 6.4247 6.5485 6.5485 6.6738 6.6738 6.7898 6.7898 7.2109 7.2109 7.7236 7.7236 8.0457 8.0457 9.1861 9.1861 9.2545 9.2545 9.6345 9.6345 10.9970 10.9970 k = 0.0114-0.0254-0.0151 ( 5247 PWs) bands (ev): -16.4887 -16.4887 -16.4879 -16.4879 -16.4812 -16.4812 -16.4795 -16.4795 -13.5229 -13.5229 -13.5187 -13.5187 -13.5063 -13.5063 -13.5049 -13.5049 -13.5041 -13.5041 -13.4997 -13.4997 -6.1207 -6.1207 -5.2709 -5.2709 -4.3786 -4.3786 -1.8005 -1.8005 0.0567 0.0567 5.1334 5.1334 5.7115 5.7115 6.2415 6.2415 6.4204 6.4204 6.5604 6.5604 6.6820 6.6820 6.7838 6.7838 7.1941 7.1941 7.7279 7.7279 8.0526 8.0526 9.1875 9.1875 9.2582 9.2582 9.6472 9.6472 10.9986 10.9986 k = 0.0227-0.0507-0.0302 ( 5253 PWs) bands (ev): -16.4887 -16.4887 -16.4879 -16.4879 -16.4812 -16.4812 -16.4795 -16.4795 -13.5228 -13.5228 -13.5187 -13.5187 -13.5063 -13.5063 -13.5050 -13.5050 -13.5040 -13.5040 -13.4997 -13.4997 -6.1170 -6.1170 -5.2681 -5.2681 -4.3761 -4.3761 -1.8014 -1.8014 0.0517 0.0517 5.1181 5.1181 5.6799 5.6799 6.2165 6.2165 6.4095 6.4095 6.5895 6.5895 6.7016 6.7016 6.7708 6.7708 7.1504 7.1504 7.7318 7.7318 8.0770 8.0770 9.1855 9.1855 9.2762 9.2762 9.6831 9.6831 11.0037 11.0037 k = 0.0341-0.0761-0.0453 ( 5258 PWs) bands (ev): -16.4886 -16.4886 -16.4878 -16.4878 -16.4812 -16.4812 -16.4795 -16.4795 -13.5228 -13.5228 -13.5187 -13.5187 -13.5064 -13.5064 -13.5051 -13.5051 -13.5039 -13.5039 -13.4996 -13.4996 -6.1108 -6.1108 -5.2634 -5.2634 -4.3719 -4.3719 -1.8031 -1.8031 0.0433 0.0433 5.0934 5.0934 5.6307 5.6307 6.1801 6.1801 6.3970 6.3970 6.6103 6.6103 6.7213 6.7213 6.7741 6.7741 7.0932 7.0932 7.7202 7.7202 8.1239 8.1239 9.1744 9.1744 9.3152 9.3152 9.7381 9.7381 11.0121 11.0121 k = 0.0455-0.1015-0.0604 ( 5265 PWs) bands (ev): -16.4886 -16.4886 -16.4878 -16.4878 -16.4812 -16.4812 -16.4795 -16.4795 -13.5227 -13.5227 -13.5186 -13.5186 -13.5064 -13.5064 -13.5053 -13.5053 -13.5038 -13.5038 -13.4995 -13.4995 -6.1021 -6.1021 -5.2568 -5.2568 -4.3659 -4.3659 -1.8054 -1.8054 0.0315 0.0315 5.0603 5.0603 5.5678 5.5678 6.1340 6.1340 6.3859 6.3859 6.5855 6.5855 6.7538 6.7538 6.8081 6.8081 7.0341 7.0341 7.6882 7.6882 8.1911 8.1911 9.1577 9.1577 9.3714 9.3714 9.8074 9.8074 11.0238 11.0238 k = 0.0568-0.1269-0.0755 ( 5265 PWs) bands (ev): -16.4885 -16.4885 -16.4877 -16.4877 -16.4812 -16.4812 -16.4795 -16.4795 -13.5226 -13.5226 -13.5185 -13.5185 -13.5065 -13.5065 -13.5054 -13.5054 -13.5037 -13.5037 -13.4995 -13.4995 -6.0910 -6.0910 -5.2484 -5.2484 -4.3584 -4.3584 -1.8085 -1.8085 0.0164 0.0164 5.0200 5.0200 5.4947 5.4947 6.0794 6.0794 6.3730 6.3730 6.5286 6.5286 6.7956 6.7956 6.8583 6.8583 6.9823 6.9823 7.6400 7.6400 8.2712 8.2712 9.1389 9.1389 9.4397 9.4397 9.8871 9.8871 11.0385 11.0385 k = 0.0682-0.1522-0.0906 ( 5267 PWs) bands (ev): -16.4885 -16.4885 -16.4877 -16.4877 -16.4813 -16.4813 -16.4795 -16.4795 -13.5225 -13.5225 -13.5184 -13.5184 -13.5067 -13.5067 -13.5056 -13.5056 -13.5035 -13.5035 -13.4994 -13.4994 -6.0775 -6.0775 -5.2382 -5.2382 -4.3491 -4.3491 -1.8124 -1.8124 -0.0022 -0.0022 4.9735 4.9735 5.4143 5.4143 6.0169 6.0169 6.3446 6.3446 6.4721 6.4721 6.8250 6.8250 6.9039 6.9039 6.9614 6.9614 7.5813 7.5813 8.3580 8.3580 9.1196 9.1196 9.5161 9.5161 9.9736 9.9736 11.0548 11.0548 k = 0.0795-0.1776-0.1057 ( 5266 PWs) bands (ev): -16.4884 -16.4884 -16.4876 -16.4876 -16.4813 -16.4813 -16.4795 -16.4795 -13.5224 -13.5224 -13.5183 -13.5183 -13.5068 -13.5068 -13.5058 -13.5058 -13.5034 -13.5034 -13.4992 -13.4992 -6.0614 -6.0614 -5.2262 -5.2262 -4.3383 -4.3383 -1.8171 -1.8171 -0.0242 -0.0242 4.9222 4.9222 5.3288 5.3288 5.9470 5.9470 6.2842 6.2842 6.4389 6.4389 6.8212 6.8212 6.9212 6.9212 7.0080 7.0080 7.5174 7.5174 8.4471 8.4471 9.1009 9.1009 9.5972 9.5972 10.0634 10.0634 11.0692 11.0692 k = 0.0909-0.2030-0.1208 ( 5265 PWs) bands (ev): -16.4883 -16.4883 -16.4875 -16.4875 -16.4813 -16.4813 -16.4796 -16.4796 -13.5223 -13.5223 -13.5182 -13.5182 -13.5070 -13.5070 -13.5060 -13.5060 -13.5032 -13.5032 -13.4991 -13.4991 -6.0430 -6.0430 -5.2124 -5.2124 -4.3259 -4.3259 -1.8226 -1.8226 -0.0496 -0.0496 4.8669 4.8669 5.2395 5.2395 5.8701 5.8701 6.2026 6.2026 6.4205 6.4205 6.7943 6.7943 6.9487 6.9487 7.0679 7.0679 7.4544 7.4544 8.5352 8.5352 9.0837 9.0837 9.6802 9.6802 10.1530 10.1530 11.0754 11.0754 k = 0.1023-0.2284-0.1359 ( 5273 PWs) bands (ev): -16.4882 -16.4882 -16.4874 -16.4874 -16.4813 -16.4813 -16.4796 -16.4796 -13.5221 -13.5221 -13.5181 -13.5181 -13.5072 -13.5072 -13.5063 -13.5063 -13.5030 -13.5030 -13.4990 -13.4990 -6.0221 -6.0221 -5.1968 -5.1968 -4.3119 -4.3119 -1.8292 -1.8292 -0.0785 -0.0785 4.8083 4.8083 5.1477 5.1477 5.7864 5.7864 6.1159 6.1159 6.4011 6.4011 6.7681 6.7681 6.9803 6.9803 7.1142 7.1142 7.4033 7.4033 8.6193 8.6193 9.0697 9.0697 9.7625 9.7625 10.2387 10.2387 11.0703 11.0703 k = 0.1136-0.2537-0.1510 ( 5269 PWs) bands (ev): -16.4881 -16.4881 -16.4873 -16.4873 -16.4813 -16.4813 -16.4796 -16.4796 -13.5220 -13.5220 -13.5180 -13.5180 -13.5073 -13.5073 -13.5065 -13.5065 -13.5028 -13.5028 -13.4988 -13.4988 -5.9988 -5.9988 -5.1796 -5.1796 -4.2964 -4.2964 -1.8368 -1.8368 -0.1109 -0.1109 4.7470 4.7470 5.0543 5.0543 5.6968 5.6968 6.0310 6.0310 6.3737 6.3737 6.7501 6.7501 7.0106 7.0106 7.1259 7.1259 7.3835 7.3835 8.6952 8.6952 9.0621 9.0621 9.8415 9.8415 10.3168 10.3168 11.0606 11.0606 k = 0.1250-0.2791-0.1661 ( 5267 PWs) bands (ev): -16.4880 -16.4880 -16.4872 -16.4872 -16.4813 -16.4813 -16.4796 -16.4796 -13.5219 -13.5219 -13.5179 -13.5179 -13.5075 -13.5075 -13.5067 -13.5067 -13.5026 -13.5026 -13.4986 -13.4986 -5.9731 -5.9731 -5.1606 -5.1606 -4.2794 -4.2794 -1.8456 -1.8456 -0.1466 -0.1466 4.6827 4.6827 4.9605 4.9605 5.6029 5.6029 5.9501 5.9501 6.3369 6.3369 6.7413 6.7413 7.0344 7.0344 7.0974 7.0974 7.4037 7.4037 8.7569 8.7569 9.0668 9.0668 9.9149 9.9149 10.3836 10.3836 11.0561 11.0561 k = 0.1364-0.3045-0.1811 ( 5260 PWs) bands (ev): -16.4879 -16.4879 -16.4871 -16.4871 -16.4813 -16.4813 -16.4797 -16.4797 -13.5217 -13.5217 -13.5178 -13.5178 -13.5077 -13.5077 -13.5070 -13.5070 -13.5023 -13.5023 -13.4984 -13.4984 -5.9451 -5.9451 -5.1400 -5.1400 -4.2610 -4.2610 -1.8556 -1.8556 -0.1858 -0.1858 4.6151 4.6151 4.8677 4.8677 5.5068 5.5068 5.8738 5.8738 6.2917 6.2917 6.7398 6.7398 7.0151 7.0151 7.0830 7.0830 7.4451 7.4451 8.7970 8.7970 9.0908 9.0908 9.9806 9.9806 10.4368 10.4368 11.0642 11.0642 k = 0.1477-0.3299-0.1962 ( 5260 PWs) bands (ev): -16.4877 -16.4877 -16.4870 -16.4870 -16.4813 -16.4813 -16.4797 -16.4797 -13.5216 -13.5216 -13.5178 -13.5178 -13.5079 -13.5079 -13.5072 -13.5072 -13.5020 -13.5020 -13.4981 -13.4981 -5.9146 -5.9146 -5.1178 -5.1178 -4.2412 -4.2412 -1.8670 -1.8670 -0.2284 -0.2284 4.5427 4.5427 4.7782 4.7782 5.4105 5.4105 5.8015 5.8015 6.2404 6.2404 6.7420 6.7420 6.9504 6.9504 7.1019 7.1019 7.4909 7.4909 8.8143 8.8143 9.1358 9.1358 10.0366 10.0366 10.4760 10.4760 11.0890 11.0890 k = 0.1591-0.3552-0.2113 ( 5248 PWs) bands (ev): -16.4876 -16.4876 -16.4869 -16.4869 -16.4813 -16.4813 -16.4797 -16.4797 -13.5215 -13.5215 -13.5178 -13.5178 -13.5080 -13.5080 -13.5074 -13.5074 -13.5017 -13.5017 -13.4978 -13.4978 -5.8819 -5.8819 -5.0941 -5.0941 -4.2201 -4.2201 -1.8798 -1.8798 -0.2741 -0.2741 4.4637 4.4637 4.6944 4.6944 5.3158 5.3158 5.7327 5.7327 6.1849 6.1849 6.7423 6.7423 6.8819 6.8819 7.1224 7.1224 7.5333 7.5333 8.8157 8.8157 9.1952 9.1952 10.0815 10.0815 10.5039 10.5039 11.1308 11.1308 k = 0.1705-0.3806-0.2264 ( 5246 PWs) bands (ev): -16.4875 -16.4875 -16.4867 -16.4867 -16.4813 -16.4813 -16.4798 -16.4798 -13.5215 -13.5215 -13.5178 -13.5178 -13.5082 -13.5082 -13.5076 -13.5076 -13.5014 -13.5014 -13.4976 -13.4976 -5.8468 -5.8468 -5.0689 -5.0689 -4.1978 -4.1978 -1.8943 -1.8943 -0.3231 -0.3231 4.3766 4.3766 4.6185 4.6185 5.2242 5.2242 5.6669 5.6669 6.1269 6.1269 6.7263 6.7263 6.8290 6.8290 7.1404 7.1404 7.5689 7.5689 8.8094 8.8094 9.2613 9.2613 10.1146 10.1146 10.5248 10.5248 11.1877 11.1877 k = 0.1818-0.4060-0.2415 ( 5246 PWs) bands (ev): -16.4873 -16.4873 -16.4866 -16.4866 -16.4813 -16.4813 -16.4798 -16.4798 -13.5214 -13.5214 -13.5178 -13.5178 -13.5084 -13.5084 -13.5077 -13.5077 -13.5011 -13.5011 -13.4972 -13.4972 -5.8095 -5.8095 -5.0424 -5.0424 -4.1743 -4.1743 -1.9104 -1.9104 -0.3750 -0.3750 4.2815 4.2815 4.5513 4.5513 5.1366 5.1366 5.6037 5.6037 6.0676 6.0676 6.6753 6.6753 6.8113 6.8113 7.1551 7.1551 7.5956 7.5956 8.8010 8.8010 9.3291 9.3291 10.1361 10.1361 10.5436 10.5436 11.2562 11.2562 k = 0.1932-0.4314-0.2566 ( 5243 PWs) bands (ev): -16.4872 -16.4872 -16.4865 -16.4865 -16.4813 -16.4813 -16.4799 -16.4799 -13.5214 -13.5214 -13.5179 -13.5179 -13.5085 -13.5085 -13.5079 -13.5079 -13.5008 -13.5008 -13.4969 -13.4969 -5.7699 -5.7699 -5.0145 -5.0145 -4.1497 -4.1497 -1.9283 -1.9283 -0.4298 -0.4298 4.1799 4.1799 4.4921 4.4921 5.0536 5.0536 5.5428 5.5428 6.0076 6.0076 6.6051 6.6051 6.8130 6.8130 7.1660 7.1660 7.6127 7.6127 8.7934 8.7934 9.3959 9.3959 10.1472 10.1472 10.5635 10.5635 11.3331 11.3331 k = 0.2045-0.4567-0.2717 ( 5248 PWs) bands (ev): -16.4870 -16.4870 -16.4864 -16.4864 -16.4813 -16.4813 -16.4799 -16.4799 -13.5215 -13.5215 -13.5180 -13.5180 -13.5087 -13.5087 -13.5080 -13.5080 -13.5004 -13.5004 -13.4966 -13.4966 -5.7281 -5.7281 -4.9854 -4.9854 -4.1242 -4.1242 -1.9482 -1.9482 -0.4872 -0.4872 4.0736 4.0736 4.4394 4.4394 4.9757 4.9757 5.4840 5.4840 5.9476 5.9476 6.5303 6.5303 6.8195 6.8195 7.1724 7.1724 7.6204 7.6204 8.7879 8.7879 9.4604 9.4604 10.1500 10.1500 10.5861 10.5861 11.4156 11.4156 k = 0.2159-0.4821-0.2868 ( 5249 PWs) bands (ev): -16.4869 -16.4869 -16.4862 -16.4862 -16.4812 -16.4812 -16.4799 -16.4799 -13.5215 -13.5215 -13.5182 -13.5182 -13.5088 -13.5088 -13.5080 -13.5080 -13.5000 -13.5000 -13.4962 -13.4962 -5.6841 -5.6841 -4.9551 -4.9551 -4.0977 -4.0977 -1.9701 -1.9701 -0.5471 -0.5471 3.9646 3.9646 4.3922 4.3922 4.9032 4.9032 5.4274 5.4274 5.8879 5.8879 6.4551 6.4551 6.8267 6.8267 7.1736 7.1736 7.6198 7.6198 8.7849 8.7849 9.5220 9.5220 10.1465 10.1465 10.6122 10.6122 11.5013 11.5013 k = 0.2273-0.5075-0.3019 ( 5243 PWs) bands (ev): -16.4868 -16.4868 -16.4861 -16.4861 -16.4812 -16.4812 -16.4799 -16.4799 -13.5216 -13.5216 -13.5184 -13.5184 -13.5089 -13.5089 -13.5080 -13.5080 -13.4997 -13.4997 -13.4958 -13.4958 -5.6380 -5.6380 -4.9238 -4.9238 -4.0704 -4.0704 -1.9942 -1.9942 -0.6091 -0.6091 3.8543 3.8543 4.3495 4.3495 4.8362 4.8362 5.3730 5.3730 5.8288 5.8288 6.3808 6.3808 6.8329 6.8329 7.1690 7.1690 7.6126 7.6126 8.7838 8.7838 9.5804 9.5804 10.1389 10.1389 10.6417 10.6417 11.5883 11.5883 k = 0.2386-0.5328-0.3170 ( 5237 PWs) bands (ev): -16.4866 -16.4866 -16.4860 -16.4860 -16.4812 -16.4812 -16.4800 -16.4800 -13.5218 -13.5218 -13.5186 -13.5186 -13.5090 -13.5090 -13.5080 -13.5080 -13.4993 -13.4993 -13.4954 -13.4954 -5.5899 -5.5899 -4.8916 -4.8916 -4.0425 -4.0425 -2.0205 -2.0205 -0.6729 -0.6729 3.7438 3.7438 4.3105 4.3105 4.7747 4.7747 5.3207 5.3207 5.7707 5.7707 6.3082 6.3082 6.8371 6.8371 7.1581 7.1581 7.6013 7.6013 8.7838 8.7838 9.6359 9.6359 10.1287 10.1287 10.6742 10.6742 11.6748 11.6748 k = 0.2500-0.5582-0.3321 ( 5229 PWs) bands (ev): -16.4865 -16.4865 -16.4859 -16.4859 -16.4811 -16.4811 -16.4800 -16.4800 -13.5220 -13.5220 -13.5189 -13.5189 -13.5091 -13.5091 -13.5079 -13.5079 -13.4989 -13.4989 -13.4949 -13.4949 -5.5397 -5.5397 -4.8586 -4.8586 -4.0141 -4.0141 -2.0491 -2.0491 -0.7382 -0.7382 3.6342 3.6342 4.2748 4.2748 4.7190 4.7190 5.2706 5.2706 5.7135 5.7135 6.2377 6.2377 6.8383 6.8383 7.1406 7.1406 7.5883 7.5883 8.7838 8.7838 9.6884 9.6884 10.1172 10.1172 10.7093 10.7093 11.7590 11.7590 k = 0.2614-0.5836-0.3472 ( 5229 PWs) bands (ev): -16.4864 -16.4864 -16.4858 -16.4858 -16.4811 -16.4811 -16.4800 -16.4800 -13.5222 -13.5222 -13.5192 -13.5192 -13.5092 -13.5092 -13.5079 -13.5079 -13.4984 -13.4984 -13.4945 -13.4945 -5.4876 -5.4876 -4.8249 -4.8249 -3.9852 -3.9852 -2.0800 -2.0800 -0.8048 -0.8048 3.5261 3.5261 4.2418 4.2418 4.6691 4.6691 5.2228 5.2228 5.6576 5.6576 6.1695 6.1695 6.8354 6.8354 7.1174 7.1174 7.5756 7.5756 8.7828 8.7828 9.7380 9.7380 10.1060 10.1060 10.7463 10.7463 11.8377 11.8377 k = 0.2727-0.6090-0.3623 ( 5224 PWs) bands (ev): -16.4862 -16.4862 -16.4857 -16.4857 -16.4810 -16.4810 -16.4800 -16.4800 -13.5224 -13.5224 -13.5195 -13.5195 -13.5092 -13.5092 -13.5078 -13.5078 -13.4980 -13.4980 -13.4940 -13.4940 -5.4336 -5.4336 -4.7908 -4.7908 -3.9562 -3.9562 -2.1133 -2.1133 -0.8722 -0.8722 3.4201 3.4201 4.2111 4.2111 4.6249 4.6249 5.1774 5.1774 5.6029 5.6029 6.1038 6.1038 6.8263 6.8263 7.0903 7.0903 7.5648 7.5648 8.7801 8.7801 9.7838 9.7838 10.0969 10.0969 10.7845 10.7845 11.8782 11.8782 k = 0.2841-0.6343-0.3774 ( 5230 PWs) bands (ev): -16.4861 -16.4861 -16.4856 -16.4856 -16.4810 -16.4810 -16.4800 -16.4800 -13.5227 -13.5227 -13.5198 -13.5198 -13.5093 -13.5093 -13.5077 -13.5077 -13.4976 -13.4976 -13.4935 -13.4935 -5.3778 -5.3778 -4.7562 -4.7562 -3.9272 -3.9272 -2.1489 -2.1489 -0.9402 -0.9402 3.3168 3.3168 4.1824 4.1824 4.5866 4.5866 5.1345 5.1345 5.5497 5.5497 6.0409 6.0409 6.8088 6.8088 7.0625 7.0625 7.5564 7.5564 8.7751 8.7751 9.8239 9.8239 10.0925 10.0925 10.8230 10.8230 11.8399 11.8399 k = 0.2955-0.6597-0.3925 ( 5234 PWs) bands (ev): -16.4860 -16.4860 -16.4855 -16.4855 -16.4809 -16.4809 -16.4800 -16.4800 -13.5230 -13.5230 -13.5202 -13.5202 -13.5093 -13.5093 -13.5075 -13.5075 -13.4972 -13.4972 -13.4930 -13.4930 -5.3203 -5.3203 -4.7215 -4.7215 -3.8983 -3.8983 -2.1867 -2.1867 -1.0082 -1.0082 3.2166 3.2166 4.1554 4.1554 4.5540 4.5540 5.0942 5.0942 5.4981 5.4981 5.9810 5.9810 6.7805 6.7805 7.0378 7.0378 7.5506 7.5506 8.7676 8.7676 9.8552 9.8552 10.0968 10.0968 10.8609 10.8609 11.7952 11.7952 k = 0.3068-0.6851-0.4076 ( 5234 PWs) bands (ev): -16.4859 -16.4859 -16.4854 -16.4854 -16.4809 -16.4809 -16.4800 -16.4800 -13.5233 -13.5233 -13.5205 -13.5205 -13.5093 -13.5093 -13.5074 -13.5074 -13.4968 -13.4968 -13.4926 -13.4926 -5.2613 -5.2613 -4.6868 -4.6868 -3.8700 -3.8700 -2.2266 -2.2266 -1.0760 -1.0760 3.1200 3.1200 4.1299 4.1299 4.5269 4.5269 5.0566 5.0566 5.4481 5.4481 5.9241 5.9241 6.7404 6.7404 7.0184 7.0184 7.5470 7.5470 8.7577 8.7577 9.8741 9.8741 10.1136 10.1136 10.8976 10.8976 11.7533 11.7533 k = 0.3182-0.7105-0.4227 ( 5239 PWs) bands (ev): -16.4858 -16.4858 -16.4853 -16.4853 -16.4808 -16.4808 -16.4800 -16.4800 -13.5236 -13.5236 -13.5209 -13.5209 -13.5093 -13.5093 -13.5073 -13.5073 -13.4964 -13.4964 -13.4921 -13.4921 -5.2007 -5.2007 -4.6522 -4.6522 -3.8424 -3.8424 -2.2683 -2.2683 -1.1433 -1.1433 3.0272 3.0272 4.1059 4.1059 4.5049 4.5049 5.0218 5.0218 5.3999 5.3999 5.8704 5.8704 6.6896 6.6896 7.0048 7.0048 7.5454 7.5454 8.7456 8.7456 9.8800 9.8800 10.1439 10.1439 10.9321 10.9321 11.7153 11.7153 k = 0.3295-0.7358-0.4378 ( 5232 PWs) bands (ev): -16.4858 -16.4858 -16.4853 -16.4853 -16.4807 -16.4807 -16.4800 -16.4800 -13.5240 -13.5240 -13.5212 -13.5212 -13.5093 -13.5093 -13.5072 -13.5072 -13.4959 -13.4959 -13.4916 -13.4916 -5.1388 -5.1388 -4.6181 -4.6181 -3.8159 -3.8159 -2.3116 -2.3116 -1.2095 -1.2095 2.9385 2.9385 4.0833 4.0833 4.4876 4.4876 4.9900 4.9900 5.3537 5.3537 5.8201 5.8201 6.6306 6.6306 6.9957 6.9957 7.5452 7.5452 8.7316 8.7316 9.8759 9.8759 10.1849 10.1849 10.9640 10.9640 11.6812 11.6812 k = 0.3409-0.7612-0.4529 ( 5229 PWs) bands (ev): -16.4857 -16.4857 -16.4852 -16.4852 -16.4807 -16.4807 -16.4800 -16.4800 -13.5243 -13.5243 -13.5216 -13.5216 -13.5093 -13.5093 -13.5070 -13.5070 -13.4956 -13.4956 -13.4911 -13.4911 -5.0758 -5.0758 -4.5845 -4.5845 -3.7909 -3.7909 -2.3560 -2.3560 -1.2745 -1.2745 2.8543 2.8543 4.0622 4.0622 4.4746 4.4746 4.9611 4.9611 5.3098 5.3098 5.7731 5.7731 6.5661 6.5661 6.9898 6.9898 7.5462 7.5462 8.7160 8.7160 9.8655 9.8655 10.2329 10.2329 10.9926 10.9926 11.6511 11.6511 k = 0.3523-0.7866-0.4680 ( 5233 PWs) bands (ev): -16.4856 -16.4856 -16.4851 -16.4851 -16.4806 -16.4806 -16.4800 -16.4800 -13.5246 -13.5246 -13.5219 -13.5219 -13.5092 -13.5092 -13.5069 -13.5069 -13.4952 -13.4952 -13.4907 -13.4907 -5.0119 -5.0119 -4.5518 -4.5518 -3.7679 -3.7679 -2.4009 -2.4009 -1.3378 -1.3378 2.7748 2.7748 4.0426 4.0426 4.4651 4.4651 4.9352 4.9352 5.2684 5.2684 5.7296 5.7296 6.4981 6.4981 6.9859 6.9859 7.5480 7.5480 8.6994 8.6994 9.8516 9.8516 10.2851 10.2851 11.0177 11.0177 11.6248 11.6248 k = 0.3636-0.8120-0.4831 ( 5236 PWs) bands (ev): -16.4856 -16.4856 -16.4851 -16.4851 -16.4805 -16.4805 -16.4800 -16.4800 -13.5250 -13.5250 -13.5222 -13.5222 -13.5092 -13.5092 -13.5068 -13.5068 -13.4948 -13.4948 -13.4903 -13.4903 -4.9472 -4.9472 -4.5201 -4.5201 -3.7474 -3.7474 -2.4458 -2.4458 -1.3991 -1.3991 2.7003 2.7003 4.0246 4.0246 4.4586 4.4586 4.9123 4.9123 5.2299 5.2299 5.6898 5.6898 6.4285 6.4285 6.9833 6.9833 7.5504 7.5504 8.6820 8.6820 9.8361 9.8361 10.3395 10.3395 11.0391 11.0391 11.6019 11.6019 k = 0.3750-0.8373-0.4982 ( 5238 PWs) bands (ev): -16.4855 -16.4855 -16.4850 -16.4850 -16.4805 -16.4805 -16.4800 -16.4800 -13.5253 -13.5253 -13.5226 -13.5226 -13.5092 -13.5092 -13.5067 -13.5067 -13.4945 -13.4945 -13.4899 -13.4899 -4.8821 -4.8821 -4.4896 -4.4896 -3.7300 -3.7300 -2.4900 -2.4900 -1.4580 -1.4580 2.6309 2.6309 4.0083 4.0083 4.4544 4.4544 4.8922 4.8922 5.1946 5.1946 5.6535 5.6535 6.3585 6.3585 6.9815 6.9815 7.5533 7.5533 8.6644 8.6644 9.8201 9.8201 10.3949 10.3949 11.0566 11.0566 11.5820 11.5820 k = 0.3864-0.8627-0.5133 ( 5236 PWs) bands (ev): -16.4855 -16.4855 -16.4850 -16.4850 -16.4804 -16.4804 -16.4799 -16.4799 -13.5256 -13.5256 -13.5229 -13.5229 -13.5092 -13.5092 -13.5066 -13.5066 -13.4941 -13.4941 -13.4895 -13.4895 -4.8169 -4.8169 -4.4607 -4.4607 -3.7163 -3.7163 -2.5326 -2.5326 -1.5142 -1.5142 2.5669 2.5669 3.9937 3.9937 4.4520 4.4520 4.8747 4.8747 5.1630 5.1630 5.6210 5.6210 6.2892 6.2892 6.9802 6.9802 7.5564 7.5564 8.6470 8.6470 9.8041 9.8041 10.4505 10.4505 11.0703 11.0703 11.5648 11.5648 k = 0.3977-0.8881-0.5283 ( 5230 PWs) bands (ev): -16.4855 -16.4855 -16.4849 -16.4849 -16.4803 -16.4803 -16.4799 -16.4799 -13.5258 -13.5258 -13.5231 -13.5231 -13.5092 -13.5092 -13.5065 -13.5065 -13.4938 -13.4938 -13.4891 -13.4891 -4.7521 -4.7521 -4.4334 -4.4334 -3.7069 -3.7069 -2.5727 -2.5727 -1.5673 -1.5673 2.5084 2.5084 3.9809 3.9809 4.4509 4.4509 4.8594 4.8594 5.1356 5.1356 5.5922 5.5922 6.2215 6.2215 6.9792 6.9792 7.5596 7.5596 8.6300 8.6300 9.7888 9.7888 10.5054 10.5054 11.0805 11.0805 11.5498 11.5498 k = 0.4091-0.9135-0.5434 ( 5225 PWs) bands (ev): -16.4854 -16.4854 -16.4849 -16.4849 -16.4803 -16.4803 -16.4799 -16.4799 -13.5261 -13.5261 -13.5234 -13.5234 -13.5091 -13.5091 -13.5064 -13.5064 -13.4935 -13.4935 -13.4888 -13.4888 -4.6883 -4.6883 -4.4080 -4.4080 -3.7023 -3.7023 -2.6096 -2.6096 -1.6168 -1.6168 2.4556 2.4556 3.9697 3.9697 4.4507 4.4507 4.8458 4.8458 5.1128 5.1128 5.5672 5.5672 6.1564 6.1564 6.9784 6.9784 7.5628 7.5628 8.6139 8.6139 9.7744 9.7744 10.5591 10.5591 11.0872 11.0872 11.5366 11.5366 k = 0.4205-0.9388-0.5585 ( 5226 PWs) bands (ev): -16.4854 -16.4854 -16.4849 -16.4849 -16.4802 -16.4802 -16.4798 -16.4798 -13.5263 -13.5263 -13.5236 -13.5236 -13.5091 -13.5091 -13.5063 -13.5063 -13.4933 -13.4933 -13.4885 -13.4885 -4.6262 -4.6262 -4.3846 -4.3846 -3.7029 -3.7029 -2.6424 -2.6424 -1.6624 -1.6624 2.4086 2.4086 3.9602 3.9602 4.4509 4.4509 4.8336 4.8336 5.0948 5.0948 5.5461 5.5461 6.0948 6.0948 6.9778 6.9778 7.5659 7.5659 8.5989 8.5989 9.7613 9.7613 10.6109 10.6109 11.0908 11.0908 11.5248 11.5248 k = 0.4318-0.9642-0.5736 ( 5226 PWs) bands (ev): -16.4854 -16.4854 -16.4848 -16.4848 -16.4802 -16.4802 -16.4798 -16.4798 -13.5265 -13.5265 -13.5238 -13.5238 -13.5091 -13.5091 -13.5063 -13.5063 -13.4931 -13.4931 -13.4882 -13.4882 -4.5669 -4.5669 -4.3631 -4.3631 -3.7087 -3.7087 -2.6705 -2.6705 -1.7035 -1.7035 2.3677 2.3677 3.9523 3.9523 4.4514 4.4514 4.8224 4.8224 5.0817 5.0817 5.5287 5.5287 6.0374 6.0374 6.9773 6.9773 7.5689 7.5689 8.5854 8.5854 9.7495 9.7495 10.6600 10.6600 11.0914 11.0914 11.5143 11.5143 k = 0.4432-0.9896-0.5887 ( 5228 PWs) bands (ev): -16.4854 -16.4854 -16.4848 -16.4848 -16.4802 -16.4802 -16.4798 -16.4798 -13.5267 -13.5267 -13.5240 -13.5240 -13.5091 -13.5091 -13.5062 -13.5062 -13.4929 -13.4929 -13.4880 -13.4880 -4.5118 -4.5118 -4.3437 -4.3437 -3.7191 -3.7191 -2.6937 -2.6937 -1.7396 -1.7396 2.3328 2.3328 3.9458 3.9458 4.4520 4.4520 4.8121 4.8121 5.0731 5.0731 5.5152 5.5152 5.9855 5.9855 6.9769 6.9769 7.5715 7.5715 8.5735 8.5735 9.7394 9.7394 10.7056 10.7056 11.0893 11.0893 11.5051 11.5051 k = 0.4545-1.0149-0.6038 ( 5223 PWs) bands (ev): -16.4854 -16.4854 -16.4848 -16.4848 -16.4801 -16.4801 -16.4798 -16.4798 -13.5268 -13.5268 -13.5241 -13.5241 -13.5091 -13.5091 -13.5061 -13.5061 -13.4927 -13.4927 -13.4878 -13.4878 -4.4628 -4.4628 -4.3259 -4.3259 -3.7331 -3.7331 -2.7119 -2.7119 -1.7701 -1.7701 2.3041 2.3041 3.9407 3.9407 4.4526 4.4526 4.8028 4.8028 5.0682 5.0682 5.5052 5.5052 5.9401 5.9401 6.9765 6.9765 7.5738 7.5738 8.5634 8.5634 9.7310 9.7310 10.7467 10.7467 11.0850 11.0850 11.4971 11.4971 k = 0.4659-1.0403-0.6189 ( 5221 PWs) bands (ev): -16.4854 -16.4854 -16.4848 -16.4848 -16.4801 -16.4801 -16.4797 -16.4797 -13.5270 -13.5270 -13.5242 -13.5242 -13.5091 -13.5091 -13.5061 -13.5061 -13.4926 -13.4926 -13.4877 -13.4877 -4.4225 -4.4225 -4.3096 -4.3096 -3.7487 -3.7487 -2.7254 -2.7254 -1.7945 -1.7945 2.2817 2.2817 3.9368 3.9368 4.4532 4.4532 4.7950 4.7950 5.0660 5.0660 5.4984 5.4984 5.9025 5.9025 6.9763 6.9763 7.5756 7.5756 8.5554 8.5554 9.7243 9.7243 10.7820 10.7820 11.0792 11.0792 11.4906 11.4906 k = 0.4773-1.0657-0.6340 ( 5222 PWs) bands (ev): -16.4854 -16.4854 -16.4848 -16.4848 -16.4801 -16.4801 -16.4797 -16.4797 -13.5270 -13.5270 -13.5243 -13.5243 -13.5090 -13.5090 -13.5061 -13.5061 -13.4925 -13.4925 -13.4876 -13.4876 -4.3932 -4.3932 -4.2951 -4.2951 -3.7633 -3.7633 -2.7345 -2.7345 -1.8124 -1.8124 2.2657 2.2657 3.9341 3.9341 4.4536 4.4536 4.7890 4.7890 5.0654 5.0654 5.4942 5.4942 5.8743 5.8743 6.9761 6.9761 7.5770 7.5770 8.5496 8.5496 9.7195 9.7195 10.8098 10.8098 11.0730 11.0730 11.4858 11.4858 k = 0.4886-1.0911-0.6491 ( 5212 PWs) bands (ev): -16.4854 -16.4854 -16.4848 -16.4848 -16.4801 -16.4801 -16.4797 -16.4797 -13.5271 -13.5271 -13.5244 -13.5244 -13.5090 -13.5090 -13.5061 -13.5061 -13.4925 -13.4925 -13.4875 -13.4875 -4.3760 -4.3760 -4.2843 -4.2843 -3.7738 -3.7738 -2.7398 -2.7398 -1.8233 -1.8233 2.2560 2.2560 3.9326 3.9326 4.4539 4.4539 4.7852 4.7852 5.0654 5.0654 5.4921 5.4921 5.8566 5.8566 6.9760 6.9760 7.5778 7.5778 8.5461 8.5461 9.7166 9.7166 10.8279 10.8279 11.0681 11.0681 11.4827 11.4827 k = 0.5000-1.1164-0.6642 ( 5210 PWs) bands (ev): -16.4854 -16.4854 -16.4848 -16.4848 -16.4801 -16.4801 -16.4797 -16.4797 -13.5271 -13.5271 -13.5244 -13.5244 -13.5090 -13.5090 -13.5061 -13.5061 -13.4924 -13.4924 -13.4875 -13.4875 -4.3704 -4.3704 -4.2802 -4.2802 -3.7777 -3.7777 -2.7415 -2.7415 -1.8269 -1.8269 2.2528 2.2528 3.9320 3.9320 4.4540 4.4540 4.7839 4.7839 5.0655 5.0655 5.4915 5.4915 5.8506 5.8506 6.9759 6.9759 7.5781 7.5781 8.5449 8.5449 9.7156 9.7156 10.8342 10.8342 11.0661 11.0661 11.4817 11.4817 k = 0.5000-1.1164-0.6642 ( 5210 PWs) bands (ev): -16.4854 -16.4854 -16.4848 -16.4848 -16.4801 -16.4801 -16.4797 -16.4797 -13.5271 -13.5271 -13.5244 -13.5244 -13.5090 -13.5090 -13.5061 -13.5061 -13.4924 -13.4924 -13.4875 -13.4875 -4.3704 -4.3704 -4.2802 -4.2802 -3.7777 -3.7777 -2.7415 -2.7415 -1.8269 -1.8269 2.2528 2.2528 3.9320 3.9320 4.4540 4.4540 4.7839 4.7839 5.0655 5.0655 5.4915 5.4915 5.8506 5.8506 6.9759 6.9759 7.5781 7.5781 8.5449 8.5449 9.7156 9.7156 10.8342 10.8342 11.0661 11.0661 11.4817 11.4817 k = 0.5000-1.1004-0.6912 ( 5214 PWs) bands (ev): -16.4854 -16.4854 -16.4848 -16.4848 -16.4801 -16.4801 -16.4797 -16.4797 -13.5271 -13.5271 -13.5244 -13.5244 -13.5090 -13.5090 -13.5061 -13.5061 -13.4924 -13.4924 -13.4875 -13.4875 -4.3697 -4.3697 -4.2795 -4.2795 -3.7765 -3.7765 -2.7417 -2.7417 -1.8289 -1.8289 2.2540 2.2540 3.9276 3.9276 4.4458 4.4458 4.7705 4.7705 5.0886 5.0886 5.4944 5.4944 5.8521 5.8521 6.9625 6.9625 7.5657 7.5657 8.5637 8.5637 9.7231 9.7231 10.8343 10.8343 11.0675 11.0675 11.4862 11.4862 k = 0.5000-1.0844-0.7181 ( 5222 PWs) bands (ev): -16.4854 -16.4854 -16.4848 -16.4848 -16.4801 -16.4801 -16.4797 -16.4797 -13.5270 -13.5270 -13.5243 -13.5243 -13.5091 -13.5091 -13.5061 -13.5061 -13.4925 -13.4925 -13.4875 -13.4875 -4.3678 -4.3678 -4.2776 -4.2776 -3.7731 -3.7731 -2.7420 -2.7420 -1.8346 -1.8346 2.2574 2.2574 3.9144 3.9144 4.4206 4.4206 4.7429 4.7429 5.1454 5.1454 5.5032 5.5032 5.8566 5.8566 6.9234 6.9234 7.5308 7.5308 8.6167 8.6167 9.7450 9.7450 10.8345 10.8345 11.0714 11.0714 11.4997 11.4997 k = 0.5000-1.0683-0.7451 ( 5218 PWs) bands (ev): -16.4853 -16.4853 -16.4847 -16.4847 -16.4801 -16.4801 -16.4797 -16.4797 -13.5269 -13.5269 -13.5242 -13.5242 -13.5091 -13.5091 -13.5062 -13.5062 -13.4925 -13.4925 -13.4876 -13.4876 -4.3645 -4.3645 -4.2744 -4.2744 -3.7673 -3.7673 -2.7427 -2.7427 -1.8442 -1.8442 2.2632 2.2632 3.8931 3.8931 4.3784 4.3784 4.7184 4.7184 5.2180 5.2180 5.5184 5.5184 5.8637 5.8637 6.8619 6.8619 7.4791 7.4791 8.6965 8.6965 9.7800 9.7800 10.8349 10.8349 11.0776 11.0776 11.5220 11.5220 k = 0.5000-1.0523-0.7720 ( 5220 PWs) bands (ev): -16.4853 -16.4853 -16.4847 -16.4847 -16.4801 -16.4801 -16.4798 -16.4798 -13.5268 -13.5268 -13.5241 -13.5241 -13.5091 -13.5091 -13.5062 -13.5062 -13.4925 -13.4925 -13.4877 -13.4877 -4.3599 -4.3599 -4.2699 -4.2699 -3.7592 -3.7592 -2.7435 -2.7435 -1.8577 -1.8577 2.2714 2.2714 3.8646 3.8646 4.3216 4.3216 4.7032 4.7032 5.2953 5.2953 5.5412 5.5412 5.8732 5.8732 6.7825 6.7825 7.4158 7.4158 8.7949 8.7949 9.8260 9.8260 10.8355 10.8355 11.0861 11.0861 11.5532 11.5532 k = 0.5000-1.0363-0.7990 ( 5230 PWs) bands (ev): -16.4853 -16.4853 -16.4846 -16.4846 -16.4802 -16.4802 -16.4798 -16.4798 -13.5266 -13.5266 -13.5239 -13.5239 -13.5091 -13.5091 -13.5063 -13.5063 -13.4926 -13.4926 -13.4879 -13.4879 -4.3541 -4.3541 -4.2643 -4.2643 -3.7489 -3.7489 -2.7447 -2.7447 -1.8749 -1.8749 2.2818 2.2818 3.8302 3.8302 4.2548 4.2548 4.6969 4.6969 5.3693 5.3693 5.5744 5.5744 5.8841 5.8841 6.6900 6.6900 7.3450 7.3450 8.9052 8.9052 9.8805 9.8805 10.8365 10.8365 11.0968 11.0968 11.5929 11.5929 k = 0.5000-1.0202-0.8259 ( 5228 PWs) bands (ev): -16.4852 -16.4852 -16.4846 -16.4846 -16.4802 -16.4802 -16.4798 -16.4798 -13.5264 -13.5264 -13.5237 -13.5237 -13.5091 -13.5091 -13.5065 -13.5065 -13.4927 -13.4927 -13.4880 -13.4880 -4.3471 -4.3471 -4.2575 -4.2575 -3.7363 -3.7363 -2.7461 -2.7461 -1.8960 -1.8960 2.2944 2.2944 3.7911 3.7911 4.1823 4.1823 4.6972 4.6972 5.4325 5.4325 5.6222 5.6222 5.8955 5.8955 6.5892 6.5892 7.2696 7.2696 9.0224 9.0224 9.9404 9.9404 10.8380 10.8380 11.1099 11.1099 11.6406 11.6406 k = 0.5000-1.0042-0.8529 ( 5224 PWs) bands (ev): -16.4852 -16.4852 -16.4845 -16.4845 -16.4802 -16.4802 -16.4799 -16.4799 -13.5261 -13.5261 -13.5235 -13.5235 -13.5092 -13.5092 -13.5066 -13.5066 -13.4927 -13.4927 -13.4882 -13.4882 -4.3389 -4.3389 -4.2496 -4.2496 -3.7214 -3.7214 -2.7477 -2.7477 -1.9207 -1.9207 2.3094 2.3094 3.7485 3.7485 4.1070 4.1070 4.7022 4.7022 5.4810 5.4810 5.6855 5.6855 5.9062 5.9062 6.4847 6.4847 7.1922 7.1922 9.1423 9.1423 10.0019 10.0019 10.8406 10.8406 11.1261 11.1261 11.6956 11.6956 k = 0.5000-0.9882-0.8798 ( 5218 PWs) bands (ev): -16.4851 -16.4851 -16.4844 -16.4844 -16.4803 -16.4803 -16.4799 -16.4799 -13.5258 -13.5258 -13.5233 -13.5233 -13.5092 -13.5092 -13.5068 -13.5068 -13.4928 -13.4928 -13.4885 -13.4885 -4.3295 -4.3295 -4.2407 -4.2407 -3.7042 -3.7042 -2.7497 -2.7497 -1.9492 -1.9492 2.3265 2.3265 3.7037 3.7037 4.0310 4.0310 4.7105 4.7105 5.5173 5.5173 5.7578 5.7578 5.9149 5.9149 6.3818 6.3818 7.1151 7.1151 9.2620 9.2620 10.0610 10.0610 10.8450 10.8450 11.1466 11.1466 11.7567 11.7567 k = 0.5000-0.9721-0.9068 ( 5220 PWs) bands (ev): -16.4850 -16.4850 -16.4843 -16.4843 -16.4804 -16.4804 -16.4800 -16.4800 -13.5255 -13.5255 -13.5230 -13.5230 -13.5093 -13.5093 -13.5070 -13.5070 -13.4929 -13.4929 -13.4887 -13.4887 -4.3191 -4.3191 -4.2308 -4.2308 -3.6849 -3.6849 -2.7519 -2.7519 -1.9813 -1.9813 2.3458 2.3458 3.6577 3.6577 3.9553 3.9553 4.7212 4.7212 5.5457 5.5457 5.8248 5.8248 5.9235 5.9235 6.2880 6.2880 7.0409 7.0409 9.3786 9.3786 10.1129 10.1129 10.8523 10.8523 11.1731 11.1731 11.8217 11.8217 k = 0.5000-0.9561-0.9338 ( 5220 PWs) bands (ev): -16.4849 -16.4849 -16.4842 -16.4842 -16.4804 -16.4804 -16.4801 -16.4801 -13.5252 -13.5252 -13.5227 -13.5227 -13.5094 -13.5094 -13.5072 -13.5072 -13.4929 -13.4929 -13.4889 -13.4889 -4.3077 -4.3077 -4.2202 -4.2202 -3.6633 -3.6633 -2.7543 -2.7543 -2.0169 -2.0169 2.3673 2.3673 3.6116 3.6116 3.8811 3.8811 4.7336 4.7336 5.5684 5.5684 5.8527 5.8527 5.9481 5.9481 6.2178 6.2178 6.9721 6.9721 9.4898 9.4898 10.1529 10.1529 10.8636 10.8636 11.2078 11.2078 11.8878 11.8878 k = 0.5000-0.9400-0.9607 ( 5226 PWs) bands (ev): -16.4848 -16.4848 -16.4841 -16.4841 -16.4805 -16.4805 -16.4801 -16.4801 -13.5248 -13.5248 -13.5223 -13.5223 -13.5095 -13.5095 -13.5074 -13.5074 -13.4930 -13.4930 -13.4892 -13.4892 -4.2954 -4.2954 -4.2088 -4.2088 -3.6396 -3.6396 -2.7570 -2.7570 -2.0559 -2.0559 2.3909 2.3909 3.5662 3.5662 3.8087 3.8087 4.7472 4.7472 5.5842 5.5842 5.8276 5.8276 5.9768 5.9768 6.1965 6.1965 6.9117 6.9117 9.5933 9.5933 10.1769 10.1769 10.8793 10.8793 11.2528 11.2528 11.9507 11.9507 k = 0.5000-0.9240-0.9877 ( 5224 PWs) bands (ev): -16.4848 -16.4848 -16.4840 -16.4840 -16.4806 -16.4806 -16.4802 -16.4802 -13.5244 -13.5244 -13.5220 -13.5220 -13.5097 -13.5097 -13.5076 -13.5076 -13.4930 -13.4930 -13.4895 -13.4895 -4.2823 -4.2823 -4.1969 -4.1969 -3.6138 -3.6138 -2.7598 -2.7598 -2.0982 -2.0982 2.4165 2.4165 3.5221 3.5221 3.7389 3.7389 4.7612 4.7612 5.5873 5.5873 5.7774 5.7774 5.9752 5.9752 6.2355 6.2355 6.8622 6.8622 9.6873 9.6873 10.1829 10.1829 10.8979 10.8979 11.3103 11.3103 12.0061 12.0061 k = 0.5000-0.9080-1.0146 ( 5220 PWs) bands (ev): -16.4847 -16.4847 -16.4839 -16.4839 -16.4806 -16.4806 -16.4803 -16.4803 -13.5240 -13.5240 -13.5216 -13.5216 -13.5099 -13.5099 -13.5078 -13.5078 -13.4931 -13.4931 -13.4897 -13.4897 -4.2684 -4.2684 -4.1847 -4.1847 -3.5860 -3.5860 -2.7628 -2.7628 -2.1437 -2.1437 2.4440 2.4440 3.4799 3.4799 3.6721 3.6721 4.7751 4.7751 5.5629 5.5629 5.7322 5.7322 5.9551 5.9551 6.3070 6.3070 6.8255 6.8255 9.7697 9.7697 10.1716 10.1716 10.9166 10.9166 11.3811 11.3811 12.0517 12.0517 k = 0.5000-0.8919-1.0416 ( 5226 PWs) bands (ev): -16.4846 -16.4846 -16.4837 -16.4837 -16.4807 -16.4807 -16.4804 -16.4804 -13.5236 -13.5236 -13.5213 -13.5213 -13.5101 -13.5101 -13.5080 -13.5080 -13.4931 -13.4931 -13.4900 -13.4900 -4.2540 -4.2540 -4.1722 -4.1722 -3.5561 -3.5561 -2.7659 -2.7659 -2.1919 -2.1919 2.4735 2.4735 3.4400 3.4400 3.6086 3.6086 4.7877 4.7877 5.5029 5.5029 5.7083 5.7083 5.9304 5.9304 6.3897 6.3897 6.8024 6.8024 9.8385 9.8385 10.1460 10.1460 10.9317 10.9317 11.4648 11.4648 12.0894 12.0894 k = 0.5000-0.8759-1.0685 ( 5228 PWs) bands (ev): -16.4845 -16.4845 -16.4836 -16.4836 -16.4808 -16.4808 -16.4804 -16.4804 -13.5232 -13.5232 -13.5209 -13.5209 -13.5104 -13.5104 -13.5082 -13.5082 -13.4931 -13.4931 -13.4903 -13.4903 -4.2390 -4.2390 -4.1596 -4.1596 -3.5244 -3.5244 -2.7689 -2.7689 -2.2429 -2.2429 2.5047 2.5047 3.4026 3.4026 3.5490 3.5490 4.7976 4.7976 5.4241 5.4241 5.6907 5.6907 5.9098 5.9098 6.4758 6.4758 6.7924 6.7924 9.8903 9.8903 10.1118 10.1118 10.9404 10.9404 11.5597 11.5597 12.1236 12.1236 k = 0.5000-0.8599-1.0955 ( 5220 PWs) bands (ev): -16.4844 -16.4844 -16.4835 -16.4835 -16.4809 -16.4809 -16.4805 -16.4805 -13.5228 -13.5228 -13.5205 -13.5205 -13.5107 -13.5107 -13.5083 -13.5083 -13.4931 -13.4931 -13.4905 -13.4905 -4.2238 -4.2238 -4.1473 -4.1473 -3.4910 -3.4910 -2.7718 -2.7718 -2.2961 -2.2961 2.5376 2.5376 3.3676 3.3676 3.4939 3.4939 4.8026 4.8026 5.3424 5.3424 5.6627 5.6627 5.9009 5.9009 6.5624 6.5624 6.7939 6.7939 9.9170 9.9170 10.0799 10.0799 10.9405 10.9405 11.6630 11.6630 12.1587 12.1587 k = 0.5000-0.8438-1.1224 ( 5208 PWs) bands (ev): -16.4843 -16.4843 -16.4833 -16.4833 -16.4810 -16.4810 -16.4806 -16.4806 -13.5225 -13.5225 -13.5201 -13.5201 -13.5111 -13.5111 -13.5085 -13.5085 -13.4931 -13.4931 -13.4908 -13.4908 -4.2083 -4.2083 -4.1355 -4.1355 -3.4560 -3.4560 -2.7745 -2.7745 -2.3512 -2.3512 2.5721 2.5721 3.3350 3.3350 3.4437 3.4437 4.8000 4.8000 5.2660 5.2660 5.6207 5.6207 5.9061 5.9061 6.6480 6.6480 6.8050 6.8050 9.9053 9.9053 10.0665 10.0665 10.9313 10.9313 11.7714 11.7714 12.1972 12.1972 k = 0.5000-0.8278-1.1494 ( 5206 PWs) bands (ev): -16.4842 -16.4842 -16.4832 -16.4832 -16.4811 -16.4811 -16.4807 -16.4807 -13.5221 -13.5221 -13.5197 -13.5197 -13.5115 -13.5115 -13.5086 -13.5086 -13.4931 -13.4931 -13.4910 -13.4910 -4.1930 -4.1930 -4.1244 -4.1244 -3.4197 -3.4197 -2.7768 -2.7768 -2.4077 -2.4077 2.6079 2.6079 3.3043 3.3043 3.3994 3.3994 4.7861 4.7861 5.1997 5.1997 5.5699 5.5699 5.9220 5.9220 6.7313 6.7313 6.8242 6.8242 9.8587 9.8587 10.0706 10.0706 10.9134 10.9134 11.8816 11.8816 12.2398 12.2398 k = 0.5000-0.8118-1.1763 ( 5206 PWs) bands (ev): -16.4841 -16.4841 -16.4831 -16.4831 -16.4812 -16.4812 -16.4807 -16.4807 -13.5218 -13.5218 -13.5192 -13.5192 -13.5119 -13.5119 -13.5087 -13.5087 -13.4930 -13.4930 -13.4912 -13.4912 -4.1778 -4.1778 -4.1142 -4.1142 -3.3825 -3.3825 -2.7785 -2.7785 -2.4650 -2.4650 2.6448 2.6448 3.2748 3.2748 3.3617 3.3617 4.7586 4.7586 5.1452 5.1452 5.5177 5.5177 5.9447 5.9447 6.8086 6.8086 6.8528 6.8528 9.7949 9.7949 10.0771 10.0771 10.8878 10.8878 11.9898 11.9898 12.2855 12.2855 k = 0.5000-0.7957-1.2033 ( 5208 PWs) bands (ev): -16.4840 -16.4840 -16.4830 -16.4830 -16.4813 -16.4813 -16.4808 -16.4808 -13.5215 -13.5215 -13.5188 -13.5188 -13.5123 -13.5123 -13.5088 -13.5088 -13.4930 -13.4930 -13.4914 -13.4914 -4.1632 -4.1632 -4.1053 -4.1053 -3.3450 -3.3450 -2.7794 -2.7794 -2.5222 -2.5222 2.6827 2.6827 3.2463 3.2463 3.3313 3.3313 4.7178 4.7178 5.0999 5.0999 5.4711 5.4711 5.9717 5.9717 6.8620 6.8620 6.9069 6.9069 9.7233 9.7233 10.0789 10.0789 10.8564 10.8564 12.0912 12.0912 12.3328 12.3328 k = 0.5000-0.7797-1.2303 ( 5208 PWs) bands (ev): -16.4840 -16.4840 -16.4828 -16.4828 -16.4813 -16.4813 -16.4808 -16.4808 -13.5212 -13.5212 -13.5185 -13.5185 -13.5127 -13.5127 -13.5088 -13.5088 -13.4930 -13.4930 -13.4916 -13.4916 -4.1494 -4.1494 -4.0979 -4.0979 -3.3079 -3.3079 -2.7793 -2.7793 -2.5782 -2.5782 2.7210 2.7210 3.2190 3.2190 3.3080 3.3080 4.6676 4.6676 5.0572 5.0572 5.4361 5.4361 6.0016 6.0016 6.8964 6.8964 6.9798 6.9798 9.6481 9.6481 10.0737 10.0737 10.8211 10.8211 12.1791 12.1791 12.3810 12.3810 k = 0.5000-0.7636-1.2572 ( 5206 PWs) bands (ev): -16.4839 -16.4839 -16.4827 -16.4827 -16.4814 -16.4814 -16.4809 -16.4809 -13.5210 -13.5210 -13.5181 -13.5181 -13.5131 -13.5131 -13.5089 -13.5089 -13.4929 -13.4929 -13.4917 -13.4917 -4.1368 -4.1368 -4.0922 -4.0922 -3.2727 -3.2727 -2.7780 -2.7780 -2.6311 -2.6311 2.7592 2.7592 3.1939 3.1939 3.2912 3.2912 4.6129 4.6129 5.0110 5.0110 5.4163 5.4163 6.0336 6.0336 6.9288 6.9288 7.0531 7.0531 9.5717 9.5717 10.0614 10.0614 10.7838 10.7838 12.2441 12.2441 12.4326 12.4326 k = 0.5000-0.7476-1.2842 ( 5212 PWs) bands (ev): -16.4839 -16.4839 -16.4827 -16.4827 -16.4815 -16.4815 -16.4809 -16.4809 -13.5209 -13.5209 -13.5178 -13.5178 -13.5134 -13.5134 -13.5089 -13.5089 -13.4929 -13.4929 -13.4918 -13.4918 -4.1259 -4.1259 -4.0883 -4.0883 -3.2414 -3.2414 -2.7752 -2.7752 -2.6786 -2.6786 2.7967 2.7967 3.1721 3.1721 3.2799 3.2799 4.5578 4.5578 4.9588 4.9588 5.4122 5.4122 6.0671 6.0671 6.9610 6.9610 7.1236 7.1236 9.4957 9.4957 10.0422 10.0422 10.7460 10.7460 12.2792 12.2792 12.4900 12.4900 k = 0.5000-0.7316-1.3111 ( 5220 PWs) bands (ev): -16.4838 -16.4838 -16.4826 -16.4826 -16.4815 -16.4815 -16.4809 -16.4809 -13.5208 -13.5208 -13.5176 -13.5176 -13.5137 -13.5137 -13.5090 -13.5090 -13.4928 -13.4928 -13.4919 -13.4919 -4.1176 -4.1176 -4.0862 -4.0862 -3.2172 -3.2172 -2.7709 -2.7709 -2.7168 -2.7168 2.8326 2.8326 3.1549 3.1549 3.2736 3.2736 4.5052 4.5052 4.9016 4.9016 5.4211 5.4211 6.1018 6.1018 6.9926 6.9926 7.1905 7.1905 9.4215 9.4215 10.0171 10.0171 10.7088 10.7088 12.2873 12.2873 12.5495 12.5495 k = 0.5000-0.7155-1.3381 ( 5218 PWs) bands (ev): -16.4838 -16.4838 -16.4826 -16.4826 -16.4816 -16.4816 -16.4810 -16.4810 -13.5207 -13.5207 -13.5175 -13.5175 -13.5138 -13.5138 -13.5090 -13.5090 -13.4928 -13.4928 -13.4919 -13.4919 -4.1130 -4.1130 -4.0853 -4.0853 -3.2042 -3.2042 -2.7651 -2.7651 -2.7411 -2.7411 2.8654 2.8654 3.1431 3.1431 3.2720 3.2720 4.4573 4.4573 4.8420 4.8420 5.4399 5.4399 6.1375 6.1375 7.0230 7.0230 7.2530 7.2530 9.3502 9.3502 9.9871 9.9871 10.6730 10.6730 12.2761 12.2761 12.6050 12.6050 k = 0.5000-0.6995-1.3650 ( 5218 PWs) bands (ev): -16.4838 -16.4838 -16.4826 -16.4826 -16.4816 -16.4816 -16.4810 -16.4810 -13.5207 -13.5207 -13.5175 -13.5175 -13.5138 -13.5138 -13.5090 -13.5090 -13.4928 -13.4928 -13.4919 -13.4919 -4.1132 -4.1132 -4.0852 -4.0852 -3.2058 -3.2058 -2.7582 -2.7582 -2.7468 -2.7468 2.8935 2.8935 3.1378 3.1378 3.2753 3.2753 4.4154 4.4154 4.7825 4.7825 5.4659 5.4659 6.1738 6.1738 7.0515 7.0515 7.3106 7.3106 9.2832 9.2832 9.9536 9.9536 10.6389 10.6389 12.2523 12.2523 12.6534 12.6534 k = 0.5000-0.6835-1.3920 ( 5214 PWs) bands (ev): -16.4838 -16.4838 -16.4826 -16.4826 -16.4815 -16.4815 -16.4809 -16.4809 -13.5208 -13.5208 -13.5176 -13.5176 -13.5137 -13.5137 -13.5090 -13.5090 -13.4928 -13.4928 -13.4919 -13.4919 -4.1188 -4.1188 -4.0863 -4.0863 -3.2225 -3.2225 -2.7475 -2.7475 -2.7352 -2.7352 2.9157 2.9157 3.1394 3.1394 3.2838 3.2838 4.3802 4.3802 4.7254 4.7254 5.4970 5.4970 6.2107 6.2107 7.0774 7.0774 7.3625 7.3625 9.2215 9.2215 9.9181 9.9181 10.6065 10.6065 12.2196 12.2196 12.6934 12.6934 k = 0.8230-0.6144-1.2648 ( 5214 PWs) bands (ev): -16.4838 -16.4838 -16.4826 -16.4826 -16.4815 -16.4815 -16.4809 -16.4809 -13.5208 -13.5208 -13.5176 -13.5176 -13.5137 -13.5137 -13.5090 -13.5090 -13.4928 -13.4928 -13.4919 -13.4919 -4.1188 -4.1188 -4.0863 -4.0863 -3.2225 -3.2225 -2.7475 -2.7475 -2.7352 -2.7352 2.9157 2.9157 3.1394 3.1394 3.2838 3.2838 4.3802 4.3802 4.7254 4.7254 5.4970 5.4970 6.2107 6.2107 7.0774 7.0774 7.3625 7.3625 9.2215 9.2215 9.9181 9.9181 10.6065 10.6065 12.2196 12.2196 12.6934 12.6934 k = 0.8164-0.5997-1.2377 ( 5224 PWs) bands (ev): -16.4839 -16.4839 -16.4827 -16.4827 -16.4815 -16.4815 -16.4809 -16.4809 -13.5209 -13.5209 -13.5178 -13.5178 -13.5134 -13.5134 -13.5089 -13.5089 -13.4928 -13.4928 -13.4918 -13.4918 -4.1292 -4.1292 -4.0899 -4.0899 -3.2515 -3.2515 -2.7336 -2.7336 -2.7079 -2.7079 2.9311 2.9311 3.1473 3.1473 3.2984 3.2984 4.3522 4.3522 4.6721 4.6721 5.5322 5.5322 6.2481 6.2481 7.1001 7.1001 7.4084 7.4084 9.1661 9.1661 9.8819 9.8819 10.5755 10.5755 12.1803 12.1803 12.7253 12.7253 k = 0.8098-0.5850-1.2106 ( 5228 PWs) bands (ev): -16.4839 -16.4839 -16.4827 -16.4827 -16.4814 -16.4814 -16.4809 -16.4809 -13.5210 -13.5210 -13.5181 -13.5181 -13.5132 -13.5132 -13.5089 -13.5089 -13.4929 -13.4929 -13.4918 -13.4918 -4.1438 -4.1438 -4.0973 -4.0973 -3.2878 -3.2878 -2.7182 -2.7182 -2.6672 -2.6672 2.9406 2.9406 3.1597 3.1597 3.3197 3.3197 4.3316 4.3316 4.6246 4.6246 5.5703 5.5703 6.2858 6.2858 7.1186 7.1186 7.4473 7.4473 9.1183 9.1183 9.8469 9.8469 10.5458 10.5458 12.1363 12.1363 12.7490 12.7490 k = 0.8033-0.5703-1.1835 ( 5226 PWs) bands (ev): -16.4840 -16.4840 -16.4828 -16.4828 -16.4814 -16.4814 -16.4809 -16.4809 -13.5211 -13.5211 -13.5183 -13.5183 -13.5128 -13.5128 -13.5089 -13.5089 -13.4929 -13.4929 -13.4917 -13.4917 -4.1622 -4.1622 -4.1097 -4.1097 -3.3273 -3.3273 -2.7009 -2.7009 -2.6172 -2.6172 2.9456 2.9456 3.1743 3.1743 3.3476 3.3476 4.3183 4.3183 4.5844 4.5844 5.6105 5.6105 6.3235 6.3235 7.1321 7.1321 7.4785 7.4785 9.0791 9.0791 9.8145 9.8145 10.5173 10.5173 12.0886 12.0886 12.7647 12.7647 k = 0.7967-0.5556-1.1564 ( 5222 PWs) bands (ev): -16.4840 -16.4840 -16.4829 -16.4829 -16.4813 -16.4813 -16.4808 -16.4808 -13.5213 -13.5213 -13.5186 -13.5186 -13.5125 -13.5125 -13.5088 -13.5088 -13.4930 -13.4930 -13.4917 -13.4917 -4.1842 -4.1842 -4.1281 -4.1281 -3.3665 -3.3665 -2.6816 -2.6816 -2.5605 -2.5605 2.9480 2.9480 3.1897 3.1897 3.3817 3.3817 4.3117 4.3117 4.5531 4.5531 5.6524 5.6524 6.3612 6.3612 7.1401 7.1401 7.5017 7.5017 9.0494 9.0494 9.7859 9.7859 10.4896 10.4896 12.0382 12.0382 12.7728 12.7728 k = 0.7901-0.5408-1.1293 ( 5226 PWs) bands (ev): -16.4841 -16.4841 -16.4830 -16.4830 -16.4812 -16.4812 -16.4808 -16.4808 -13.5215 -13.5215 -13.5188 -13.5188 -13.5122 -13.5122 -13.5088 -13.5088 -13.4930 -13.4930 -13.4917 -13.4917 -4.2095 -4.2095 -4.1528 -4.1528 -3.4035 -3.4035 -2.6605 -2.6605 -2.4988 -2.4988 2.9492 2.9492 3.2052 3.2052 3.4210 3.4210 4.3109 4.3109 4.5322 4.5322 5.6955 5.6955 6.3987 6.3987 7.1419 7.1419 7.5166 7.5166 9.0295 9.0295 9.7623 9.7623 10.4626 10.4626 11.9855 11.9855 12.7737 12.7737 k = 0.7835-0.5261-1.1022 ( 5224 PWs) bands (ev): -16.4842 -16.4842 -16.4832 -16.4832 -16.4812 -16.4812 -16.4808 -16.4808 -13.5217 -13.5217 -13.5191 -13.5191 -13.5119 -13.5119 -13.5087 -13.5087 -13.4931 -13.4931 -13.4916 -13.4916 -4.2380 -4.2380 -4.1843 -4.1843 -3.4370 -3.4370 -2.6377 -2.6377 -2.4332 -2.4332 2.9501 2.9501 3.2207 3.2207 3.4642 3.4642 4.3150 4.3150 4.5231 4.5231 5.7394 5.7394 6.4358 6.4358 7.1372 7.1372 7.5233 7.5233 9.0195 9.0195 9.7442 9.7442 10.4363 10.4363 11.9312 11.9312 12.7676 12.7676 k = 0.7769-0.5114-1.0751 ( 5226 PWs) bands (ev): -16.4842 -16.4842 -16.4833 -16.4833 -16.4811 -16.4811 -16.4807 -16.4807 -13.5219 -13.5219 -13.5193 -13.5193 -13.5116 -13.5116 -13.5087 -13.5087 -13.4932 -13.4932 -13.4916 -13.4916 -4.2694 -4.2694 -4.2223 -4.2223 -3.4663 -3.4663 -2.6135 -2.6135 -2.3644 -2.3644 2.9516 2.9516 3.2363 3.2363 3.5107 3.5107 4.3234 4.3234 4.5264 4.5264 5.7839 5.7839 6.4724 6.4724 7.1257 7.1257 7.5221 7.5221 9.0190 9.0190 9.7322 9.7322 10.4107 10.4107 11.8757 11.8757 12.7549 12.7549 k = 0.7703-0.4967-1.0480 ( 5232 PWs) bands (ev): -16.4843 -16.4843 -16.4834 -16.4834 -16.4810 -16.4810 -16.4807 -16.4807 -13.5221 -13.5221 -13.5194 -13.5194 -13.5113 -13.5113 -13.5086 -13.5086 -13.4933 -13.4933 -13.4916 -13.4916 -4.3036 -4.3036 -4.2663 -4.2663 -3.4914 -3.4914 -2.5880 -2.5880 -2.2928 -2.2928 2.9544 2.9544 3.2521 3.2521 3.5599 3.5599 4.3362 4.3362 4.5421 4.5421 5.8286 5.8286 6.5085 6.5085 7.1076 7.1076 7.5139 7.5139 9.0275 9.0275 9.7262 9.7262 10.3862 10.3862 11.8193 11.8193 12.7359 12.7359 k = 0.7637-0.4820-1.0209 ( 5228 PWs) bands (ev): -16.4844 -16.4844 -16.4835 -16.4835 -16.4810 -16.4810 -16.4807 -16.4807 -13.5223 -13.5223 -13.5196 -13.5196 -13.5110 -13.5110 -13.5086 -13.5086 -13.4934 -13.4934 -13.4916 -13.4916 -4.3407 -4.3407 -4.3152 -4.3152 -3.5128 -3.5128 -2.5616 -2.5616 -2.2189 -2.2189 2.9590 2.9590 3.2679 3.2679 3.6114 3.6114 4.3539 4.3539 4.5692 4.5692 5.8733 5.8733 6.5437 6.5437 7.0832 7.0832 7.4993 7.4993 9.0439 9.0439 9.7260 9.7260 10.3632 10.3632 11.7624 11.7624 12.7110 12.7110 k = 0.7571-0.4672-0.9937 ( 5222 PWs) bands (ev): -16.4845 -16.4845 -16.4836 -16.4836 -16.4810 -16.4810 -16.4806 -16.4806 -13.5224 -13.5224 -13.5197 -13.5197 -13.5108 -13.5108 -13.5085 -13.5085 -13.4935 -13.4935 -13.4917 -13.4917 -4.3827 -4.3827 -4.3659 -4.3659 -3.5309 -3.5309 -2.5346 -2.5346 -2.1430 -2.1430 2.9660 2.9660 3.2841 3.2841 3.6654 3.6654 4.3774 4.3774 4.6062 4.6062 5.9178 5.9178 6.5782 6.5782 7.0530 7.0530 7.4792 7.4792 9.0671 9.0671 9.7306 9.7306 10.3423 10.3423 11.7053 11.7053 12.6805 12.6805 k = 0.7505-0.4525-0.9666 ( 5226 PWs) bands (ev): -16.4846 -16.4846 -16.4837 -16.4837 -16.4809 -16.4809 -16.4806 -16.4806 -13.5225 -13.5225 -13.5198 -13.5198 -13.5105 -13.5105 -13.5085 -13.5085 -13.4937 -13.4937 -13.4918 -13.4918 -4.4347 -4.4347 -4.4120 -4.4120 -3.5466 -3.5466 -2.5072 -2.5072 -2.0652 -2.0652 2.9758 2.9758 3.3006 3.3006 3.7218 3.7218 4.4072 4.4072 4.6518 4.6518 5.9617 5.9617 6.6116 6.6116 7.0178 7.0178 7.4547 7.4547 9.0959 9.0959 9.7388 9.7388 10.3244 10.3244 11.6482 11.6482 12.6446 12.6446 k = 0.7439-0.4378-0.9395 ( 5222 PWs) bands (ev): -16.4847 -16.4847 -16.4839 -16.4839 -16.4809 -16.4809 -16.4806 -16.4806 -13.5226 -13.5226 -13.5199 -13.5199 -13.5103 -13.5103 -13.5085 -13.5085 -13.4938 -13.4938 -13.4919 -13.4919 -4.4941 -4.4941 -4.4551 -4.4551 -3.5605 -3.5605 -2.4797 -2.4797 -1.9857 -1.9857 2.9888 2.9888 3.3180 3.3180 3.7807 3.7807 4.4436 4.4436 4.7046 4.7046 6.0049 6.0049 6.6439 6.6439 6.9785 6.9785 7.4266 7.4266 9.1293 9.1293 9.7488 9.7488 10.3107 10.3107 11.5914 11.5914 12.6036 12.6036 k = 0.7373-0.4231-0.9124 ( 5220 PWs) bands (ev): -16.4848 -16.4848 -16.4840 -16.4840 -16.4809 -16.4809 -16.4805 -16.4805 -13.5227 -13.5227 -13.5199 -13.5199 -13.5101 -13.5101 -13.5085 -13.5085 -13.4940 -13.4940 -13.4920 -13.4920 -4.5566 -4.5566 -4.4984 -4.4984 -3.5732 -3.5732 -2.4524 -2.4524 -1.9049 -1.9049 3.0054 3.0054 3.3366 3.3366 3.8423 3.8423 4.4864 4.4864 4.7636 4.7636 6.0469 6.0469 6.6749 6.6749 6.9360 6.9360 7.3959 7.3959 9.1659 9.1659 9.7585 9.7585 10.3028 10.3028 11.5350 11.5350 12.5576 12.5576 k = 0.7307-0.4084-0.8853 ( 5224 PWs) bands (ev): -16.4849 -16.4849 -16.4841 -16.4841 -16.4809 -16.4809 -16.4805 -16.4805 -13.5228 -13.5228 -13.5200 -13.5200 -13.5099 -13.5099 -13.5085 -13.5085 -13.4942 -13.4942 -13.4921 -13.4921 -4.6208 -4.6208 -4.5424 -4.5424 -3.5852 -3.5852 -2.4255 -2.4255 -1.8227 -1.8227 3.0259 3.0259 3.3570 3.3570 3.9065 3.9065 4.5353 4.5353 4.8279 4.8279 6.0877 6.0877 6.7043 6.7043 6.8915 6.8915 7.3633 7.3633 9.2047 9.2047 9.7657 9.7657 10.3022 10.3022 11.4792 11.4792 12.5068 12.5068 k = 0.7241-0.3936-0.8582 ( 5228 PWs) bands (ev): -16.4850 -16.4850 -16.4842 -16.4842 -16.4809 -16.4809 -16.4805 -16.4805 -13.5228 -13.5228 -13.5199 -13.5199 -13.5097 -13.5097 -13.5085 -13.5085 -13.4945 -13.4945 -13.4923 -13.4923 -4.6860 -4.6860 -4.5871 -4.5871 -3.5968 -3.5968 -2.3992 -2.3992 -1.7395 -1.7395 3.0505 3.0505 3.3799 3.3799 3.9733 3.9733 4.5898 4.5898 4.8968 4.8968 6.1267 6.1267 6.7314 6.7314 6.8464 6.8464 7.3298 7.3298 9.2446 9.2446 9.7682 9.7682 10.3101 10.3101 11.4242 11.4242 12.4516 12.4516 k = 0.7175-0.3789-0.8311 ( 5230 PWs) bands (ev): -16.4851 -16.4851 -16.4843 -16.4843 -16.4809 -16.4809 -16.4804 -16.4804 -13.5228 -13.5228 -13.5199 -13.5199 -13.5096 -13.5096 -13.5085 -13.5085 -13.4947 -13.4947 -13.4925 -13.4925 -4.7515 -4.7515 -4.6322 -4.6322 -3.6085 -3.6085 -2.3738 -2.3738 -1.6554 -1.6554 3.0794 3.0794 3.4057 3.4057 4.0425 4.0425 4.6494 4.6494 4.9698 4.9698 6.1638 6.1638 6.7516 6.7516 6.8063 6.8063 7.2963 7.2963 9.2845 9.2845 9.7647 9.7647 10.3273 10.3273 11.3699 11.3699 12.3922 12.3922 k = 0.7110-0.3642-0.8040 ( 5230 PWs) bands (ev): -16.4852 -16.4852 -16.4845 -16.4845 -16.4809 -16.4809 -16.4804 -16.4804 -13.5227 -13.5227 -13.5198 -13.5198 -13.5095 -13.5095 -13.5085 -13.5085 -13.4950 -13.4950 -13.4927 -13.4927 -4.8170 -4.8170 -4.6777 -4.6777 -3.6204 -3.6204 -2.3495 -2.3495 -1.5705 -1.5705 3.1128 3.1128 3.4351 3.4351 4.1137 4.1137 4.7137 4.7137 5.0462 5.0462 6.1984 6.1984 6.7368 6.7368 6.7998 6.7998 7.2635 7.2635 9.3232 9.3232 9.7549 9.7549 10.3533 10.3533 11.3165 11.3165 12.3290 12.3290 k = 0.7044-0.3495-0.7769 ( 5230 PWs) bands (ev): -16.4853 -16.4853 -16.4846 -16.4846 -16.4810 -16.4810 -16.4804 -16.4804 -13.5226 -13.5226 -13.5197 -13.5197 -13.5094 -13.5094 -13.5085 -13.5085 -13.4953 -13.4953 -13.4929 -13.4929 -4.8821 -4.8821 -4.7233 -4.7233 -3.6327 -3.6327 -2.3263 -2.3263 -1.4850 -1.4850 3.1508 3.1508 3.4686 3.4686 4.1866 4.1866 4.7822 4.7822 5.1256 5.1256 6.2300 6.2300 6.6956 6.6956 6.8194 6.8194 7.2322 7.2322 9.3596 9.3596 9.7394 9.7394 10.3869 10.3869 11.2639 11.2639 12.2627 12.2627 k = 0.6978-0.3348-0.7497 ( 5232 PWs) bands (ev): -16.4854 -16.4854 -16.4847 -16.4847 -16.4810 -16.4810 -16.4803 -16.4803 -13.5226 -13.5226 -13.5196 -13.5196 -13.5093 -13.5093 -13.5086 -13.5086 -13.4957 -13.4957 -13.4932 -13.4932 -4.9466 -4.9466 -4.7689 -4.7689 -3.6455 -3.6455 -2.3045 -2.3045 -1.3991 -1.3991 3.1935 3.1935 3.5064 3.5064 4.2606 4.2606 4.8547 4.8547 5.2075 5.2075 6.2581 6.2581 6.6525 6.6525 6.8414 6.8414 7.2032 7.2032 9.3924 9.3924 9.7194 9.7194 10.4261 10.4261 11.2122 11.2122 12.1938 12.1938 k = 0.6912-0.3200-0.7226 ( 5242 PWs) bands (ev): -16.4855 -16.4855 -16.4849 -16.4849 -16.4810 -16.4810 -16.4803 -16.4803 -13.5225 -13.5225 -13.5195 -13.5195 -13.5092 -13.5092 -13.5086 -13.5086 -13.4960 -13.4960 -13.4934 -13.4934 -5.0101 -5.0101 -4.8143 -4.8143 -3.6588 -3.6588 -2.2842 -2.2842 -1.3130 -1.3130 3.2410 3.2410 3.5489 3.5489 4.3352 4.3352 4.9309 4.9309 5.2915 5.2915 6.2817 6.2817 6.6117 6.6117 6.8629 6.8629 7.1774 7.1774 9.4201 9.4201 9.6964 9.6964 10.4689 10.4689 11.1614 11.1614 12.1231 12.1231 k = 0.6846-0.3053-0.6955 ( 5248 PWs) bands (ev): -16.4856 -16.4856 -16.4850 -16.4850 -16.4810 -16.4810 -16.4803 -16.4803 -13.5223 -13.5223 -13.5193 -13.5193 -13.5091 -13.5091 -13.5086 -13.5086 -13.4964 -13.4964 -13.4937 -13.4937 -5.0725 -5.0725 -4.8593 -4.8593 -3.6727 -3.6727 -2.2655 -2.2655 -1.2268 -1.2268 3.2933 3.2933 3.5964 3.5964 4.4097 4.4097 5.0105 5.0105 5.3769 5.3769 6.2999 6.2999 6.5749 6.5749 6.8834 6.8834 7.1553 7.1553 9.4406 9.4406 9.6725 9.6725 10.5125 10.5125 11.1118 11.1118 12.0514 12.0514 k = 0.6780-0.2906-0.6684 ( 5244 PWs) bands (ev): -16.4857 -16.4857 -16.4851 -16.4851 -16.4811 -16.4811 -16.4802 -16.4802 -13.5222 -13.5222 -13.5192 -13.5192 -13.5091 -13.5091 -13.5086 -13.5086 -13.4968 -13.4968 -13.4940 -13.4940 -5.1336 -5.1336 -4.9038 -4.9038 -3.6872 -3.6872 -2.2483 -2.2483 -1.1408 -1.1408 3.3505 3.3505 3.6488 3.6488 4.4836 4.4836 5.0935 5.0935 5.4633 5.4633 6.3112 6.3112 6.5442 6.5442 6.9028 6.9028 7.1378 7.1378 9.4518 9.4518 9.6500 9.6500 10.5541 10.5541 11.0642 11.0642 11.9794 11.9794 k = 0.6714-0.2759-0.6413 ( 5250 PWs) bands (ev): -16.4859 -16.4859 -16.4852 -16.4852 -16.4811 -16.4811 -16.4802 -16.4802 -13.5221 -13.5221 -13.5190 -13.5190 -13.5090 -13.5090 -13.5086 -13.5086 -13.4972 -13.4972 -13.4943 -13.4943 -5.1933 -5.1933 -4.9476 -4.9476 -3.7023 -3.7023 -2.2328 -2.2328 -1.0552 -1.0552 3.4126 3.4126 3.7063 3.7063 4.5560 4.5560 5.1796 5.1796 5.5499 5.5499 6.3145 6.3145 6.5213 6.5213 6.9213 6.9213 7.1254 7.1254 9.4512 9.4512 9.6309 9.6309 10.5896 10.5896 11.0200 11.0200 11.9078 11.9078 k = 0.6648-0.2612-0.6142 ( 5250 PWs) bands (ev): -16.4860 -16.4860 -16.4854 -16.4854 -16.4811 -16.4811 -16.4802 -16.4802 -13.5219 -13.5219 -13.5188 -13.5188 -13.5090 -13.5090 -13.5086 -13.5086 -13.4976 -13.4976 -13.4946 -13.4946 -5.2514 -5.2514 -4.9907 -4.9907 -3.7178 -3.7178 -2.2189 -2.2189 -0.9701 -0.9701 3.4796 3.4796 3.7686 3.7686 4.6264 4.6264 5.2686 5.2686 5.6362 5.6362 6.3097 6.3097 6.5070 6.5070 6.9388 6.9388 7.1185 7.1185 9.4379 9.4379 9.6161 9.6161 10.6136 10.6136 10.9826 10.9826 11.8372 11.8372 k = 0.6582-0.2464-0.5871 ( 5244 PWs) bands (ev): -16.4861 -16.4861 -16.4855 -16.4855 -16.4812 -16.4812 -16.4801 -16.4801 -13.5218 -13.5218 -13.5186 -13.5186 -13.5090 -13.5090 -13.5086 -13.5086 -13.4980 -13.4980 -13.4950 -13.4950 -5.3078 -5.3078 -5.0329 -5.0329 -3.7337 -3.7337 -2.2067 -2.2067 -0.8858 -0.8858 3.5516 3.5516 3.8357 3.8357 4.6942 4.6942 5.3600 5.3600 5.7211 5.7211 6.2988 6.2988 6.5003 6.5003 6.9558 6.9558 7.1175 7.1175 9.4135 9.4135 9.6035 9.6035 10.6192 10.6192 10.9563 10.9563 11.7679 11.7679 k = 0.6516-0.2317-0.5600 ( 5244 PWs) bands (ev): -16.4863 -16.4863 -16.4856 -16.4856 -16.4812 -16.4812 -16.4801 -16.4801 -13.5217 -13.5217 -13.5185 -13.5185 -13.5089 -13.5089 -13.5086 -13.5086 -13.4984 -13.4984 -13.4953 -13.4953 -5.3625 -5.3625 -5.0740 -5.0740 -3.7500 -3.7500 -2.1961 -2.1961 -0.8024 -0.8024 3.6284 3.6284 3.9073 3.9073 4.7588 4.7588 5.4533 5.4533 5.8037 5.8037 6.2855 6.2855 6.4991 6.4991 6.9724 6.9724 7.1224 7.1224 9.3809 9.3809 9.5901 9.5901 10.6015 10.6015 10.9437 10.9437 11.7002 11.7002 k = 0.6450-0.2170-0.5329 ( 5246 PWs) bands (ev): -16.4864 -16.4864 -16.4858 -16.4858 -16.4812 -16.4812 -16.4801 -16.4801 -13.5215 -13.5215 -13.5183 -13.5183 -13.5089 -13.5089 -13.5085 -13.5085 -13.4988 -13.4988 -13.4956 -13.4956 -5.4152 -5.4152 -5.1141 -5.1141 -3.7665 -3.7665 -2.1871 -2.1871 -0.7203 -0.7203 3.7101 3.7101 3.9829 3.9829 4.8199 4.8199 5.5474 5.5474 5.8827 5.8827 6.2733 6.2733 6.5017 6.5017 6.9892 6.9892 7.1333 7.1333 9.3422 9.3422 9.5732 9.5732 10.5615 10.5615 10.9412 10.9412 11.6342 11.6342 k = 0.6384-0.2023-0.5058 ( 5252 PWs) bands (ev): -16.4866 -16.4866 -16.4859 -16.4859 -16.4812 -16.4812 -16.4800 -16.4800 -13.5215 -13.5215 -13.5181 -13.5181 -13.5089 -13.5089 -13.5084 -13.5084 -13.4992 -13.4992 -13.4959 -13.4959 -5.4660 -5.4660 -5.1529 -5.1529 -3.7831 -3.7831 -2.1795 -2.1795 -0.6396 -0.6396 3.7965 3.7965 4.0623 4.0623 4.8773 4.8773 5.6407 5.6407 5.9565 5.9565 6.2658 6.2658 6.5073 6.5073 7.0067 7.0067 7.1501 7.1501 9.2991 9.2991 9.5509 9.5509 10.5051 10.5051 10.9407 10.9407 11.5708 11.5708 k = 0.6318-0.1876-0.4786 ( 5246 PWs) bands (ev): -16.4867 -16.4867 -16.4861 -16.4861 -16.4812 -16.4812 -16.4800 -16.4800 -13.5214 -13.5214 -13.5180 -13.5180 -13.5088 -13.5088 -13.5083 -13.5083 -13.4996 -13.4996 -13.4963 -13.4963 -5.5148 -5.5148 -5.1905 -5.1905 -3.7998 -3.7998 -2.1733 -2.1733 -0.5607 -0.5607 3.8876 3.8876 4.1447 4.1447 4.9310 4.9310 5.7307 5.7307 6.0240 6.0240 6.2658 6.2658 6.5158 6.5158 7.0252 7.0252 7.1728 7.1728 9.2521 9.2521 9.5222 9.5222 10.4380 10.4380 10.9337 10.9337 11.5119 11.5119 k = 0.6253-0.1728-0.4515 ( 5248 PWs) bands (ev): -16.4869 -16.4869 -16.4862 -16.4862 -16.4813 -16.4813 -16.4800 -16.4800 -13.5213 -13.5213 -13.5179 -13.5179 -13.5087 -13.5087 -13.5082 -13.5082 -13.5000 -13.5000 -13.4966 -13.4966 -5.5615 -5.5615 -5.2266 -5.2266 -3.8165 -3.8165 -2.1683 -2.1683 -0.4836 -0.4836 3.9831 3.9831 4.2295 4.2295 4.9813 4.9813 5.8133 5.8133 6.0855 6.0855 6.2757 6.2757 6.5279 6.5279 7.0454 7.0454 7.2015 7.2015 9.2011 9.2011 9.4866 9.4866 10.3646 10.3646 10.9141 10.9141 11.4597 11.4597 k = 0.6187-0.1581-0.4244 ( 5248 PWs) bands (ev): -16.4870 -16.4870 -16.4863 -16.4863 -16.4813 -16.4813 -16.4799 -16.4799 -13.5213 -13.5213 -13.5178 -13.5178 -13.5086 -13.5086 -13.5081 -13.5081 -13.5003 -13.5003 -13.4969 -13.4969 -5.6061 -5.6061 -5.2613 -5.2613 -3.8330 -3.8330 -2.1646 -2.1646 -0.4087 -0.4087 4.0829 4.0829 4.3157 4.3157 5.0287 5.0287 5.8832 5.8832 6.1443 6.1443 6.2951 6.2951 6.5443 6.5443 7.0679 7.0679 7.2360 7.2360 9.1460 9.1460 9.4442 9.4442 10.2879 10.2879 10.8781 10.8781 11.4164 11.4164 k = 0.6121-0.1434-0.3973 ( 5238 PWs) bands (ev): -16.4872 -16.4872 -16.4865 -16.4865 -16.4813 -16.4813 -16.4799 -16.4799 -13.5213 -13.5213 -13.5177 -13.5177 -13.5085 -13.5085 -13.5080 -13.5080 -13.5007 -13.5007 -13.4972 -13.4972 -5.6484 -5.6484 -5.2945 -5.2945 -3.8492 -3.8492 -2.1619 -2.1619 -0.3362 -0.3362 4.1867 4.1867 4.4023 4.4023 5.0743 5.0743 5.9360 5.9360 6.2058 6.2058 6.3211 6.3211 6.5654 6.5654 7.0937 7.0937 7.2763 7.2763 9.0859 9.0859 9.3953 9.3953 10.2104 10.2104 10.8254 10.8254 11.3822 11.3822 k = 0.6055-0.1287-0.3702 ( 5248 PWs) bands (ev): -16.4873 -16.4873 -16.4866 -16.4866 -16.4813 -16.4813 -16.4799 -16.4799 -13.5214 -13.5214 -13.5177 -13.5177 -13.5084 -13.5084 -13.5078 -13.5078 -13.5010 -13.5010 -13.4975 -13.4975 -5.6886 -5.6886 -5.3261 -5.3261 -3.8651 -3.8651 -2.1601 -2.1601 -0.2663 -0.2663 4.2940 4.2940 4.4876 4.4876 5.1195 5.1195 5.9721 5.9721 6.2701 6.2701 6.3511 6.3511 6.5911 6.5911 7.1239 7.1239 7.3219 7.3219 9.0202 9.0202 9.3407 9.3407 10.1340 10.1340 10.7588 10.7588 11.3552 11.3552 k = 0.5989-0.1140-0.3431 ( 5240 PWs) bands (ev): -16.4874 -16.4874 -16.4867 -16.4867 -16.4813 -16.4813 -16.4798 -16.4798 -13.5214 -13.5214 -13.5177 -13.5177 -13.5082 -13.5082 -13.5076 -13.5076 -13.5014 -13.5014 -13.4977 -13.4977 -5.7265 -5.7265 -5.3560 -5.3560 -3.8805 -3.8805 -2.1592 -2.1592 -0.1993 -0.1993 4.4039 4.4039 4.5703 4.5703 5.1663 5.1663 5.9967 5.9967 6.3271 6.3271 6.3890 6.3890 6.6204 6.6204 7.1597 7.1597 7.3722 7.3722 8.9482 8.9482 9.2815 9.2815 10.0602 10.0602 10.6823 10.6823 11.3329 11.3329 k = 0.5923-0.0992-0.3160 ( 5244 PWs) bands (ev): -16.4876 -16.4876 -16.4869 -16.4869 -16.4813 -16.4813 -16.4798 -16.4798 -13.5215 -13.5215 -13.5177 -13.5177 -13.5081 -13.5081 -13.5074 -13.5074 -13.5017 -13.5017 -13.4980 -13.4980 -5.7621 -5.7621 -5.3843 -5.3843 -3.8953 -3.8953 -2.1590 -2.1590 -0.1353 -0.1353 4.5150 4.5150 4.6492 4.6492 5.2168 5.2168 6.0151 6.0151 6.3640 6.3640 6.4417 6.4417 6.6517 6.6517 7.2020 7.2020 7.4261 7.4261 8.8694 8.8694 9.2188 9.2188 9.9903 9.9903 10.5999 10.5999 11.3128 11.3128 k = 0.5857-0.0845-0.2889 ( 5240 PWs) bands (ev): -16.4877 -16.4877 -16.4870 -16.4870 -16.4813 -16.4813 -16.4798 -16.4798 -13.5216 -13.5216 -13.5177 -13.5177 -13.5079 -13.5079 -13.5072 -13.5072 -13.5019 -13.5019 -13.4982 -13.4982 -5.7953 -5.7953 -5.4108 -5.4108 -3.9096 -3.9096 -2.1594 -2.1594 -0.0748 -0.0748 4.6223 4.6223 4.7264 4.7264 5.2735 5.2735 6.0312 6.0312 6.3874 6.3874 6.4988 6.4988 6.6836 6.6836 7.2514 7.2514 7.4820 7.4820 8.7842 8.7842 9.1539 9.1539 9.9252 9.9252 10.5151 10.5151 11.2932 11.2932 k = 0.5791-0.0698-0.2618 ( 5244 PWs) bands (ev): -16.4879 -16.4879 -16.4871 -16.4871 -16.4813 -16.4813 -16.4797 -16.4797 -13.5217 -13.5217 -13.5178 -13.5178 -13.5077 -13.5077 -13.5070 -13.5070 -13.5022 -13.5022 -13.4985 -13.4985 -5.8262 -5.8262 -5.4355 -5.4355 -3.9231 -3.9231 -2.1602 -2.1602 -0.0177 -0.0177 4.7127 4.7127 4.8128 4.8128 5.3376 5.3376 6.0472 6.0472 6.4054 6.4054 6.5502 6.5502 6.7149 6.7149 7.3070 7.3070 7.5379 7.5379 8.6941 8.6941 9.0881 9.0881 9.8658 9.8658 10.4302 10.4302 11.2731 11.2731 k = 0.5725-0.0551-0.2346 ( 5244 PWs) bands (ev): -16.4880 -16.4880 -16.4872 -16.4872 -16.4813 -16.4813 -16.4797 -16.4797 -13.5219 -13.5219 -13.5179 -13.5179 -13.5075 -13.5075 -13.5067 -13.5067 -13.5025 -13.5025 -13.4987 -13.4987 -5.8547 -5.8547 -5.4583 -5.4583 -3.9358 -3.9358 -2.1614 -2.1614 0.0356 0.0356 4.7744 4.7744 4.9191 4.9191 5.4093 5.4093 6.0647 6.0647 6.4208 6.4208 6.5932 6.5932 6.7447 6.7447 7.3663 7.3663 7.5917 7.5917 8.6015 8.6015 9.0226 9.0226 9.8126 9.8126 10.3472 10.3472 11.2519 11.2519 k = 0.5659-0.0404-0.2075 ( 5244 PWs) bands (ev): -16.4881 -16.4881 -16.4873 -16.4873 -16.4812 -16.4812 -16.4797 -16.4797 -13.5220 -13.5220 -13.5180 -13.5180 -13.5074 -13.5074 -13.5065 -13.5065 -13.5027 -13.5027 -13.4989 -13.4989 -5.8808 -5.8808 -5.4793 -5.4793 -3.9477 -3.9477 -2.1629 -2.1629 0.0850 0.0850 4.8151 4.8151 5.0378 5.0378 5.4868 5.4868 6.0852 6.0852 6.4345 6.4345 6.6279 6.6279 6.7724 6.7724 7.4241 7.4241 7.6406 7.6406 8.5104 8.5104 8.9597 8.9597 9.7661 9.7661 10.2671 10.2671 11.2289 11.2289 k = 0.5593-0.0256-0.1804 ( 5246 PWs) bands (ev): -16.4882 -16.4882 -16.4874 -16.4874 -16.4812 -16.4812 -16.4796 -16.4796 -13.5221 -13.5221 -13.5181 -13.5181 -13.5072 -13.5072 -13.5063 -13.5063 -13.5029 -13.5029 -13.4990 -13.4990 -5.9044 -5.9044 -5.4984 -5.4984 -3.9586 -3.9586 -2.1645 -2.1645 0.1302 0.1302 4.8431 4.8431 5.1615 5.1615 5.5668 5.5668 6.1104 6.1104 6.4469 6.4469 6.6555 6.6555 6.7979 6.7979 7.4726 7.4726 7.6822 7.6822 8.4262 8.4262 8.9022 8.9022 9.7263 9.7263 10.1909 10.1909 11.2027 11.2027 k = 0.5527-0.0109-0.1533 ( 5252 PWs) bands (ev): -16.4883 -16.4883 -16.4875 -16.4875 -16.4812 -16.4812 -16.4796 -16.4796 -13.5223 -13.5223 -13.5182 -13.5182 -13.5070 -13.5070 -13.5060 -13.5060 -13.5031 -13.5031 -13.4992 -13.4992 -5.9256 -5.9256 -5.5155 -5.5155 -3.9686 -3.9686 -2.1662 -2.1662 0.1711 0.1711 4.8626 4.8626 5.2868 5.2868 5.6451 5.6451 6.1422 6.1422 6.4581 6.4581 6.6777 6.6777 6.8213 6.8213 7.5013 7.5013 7.7146 7.7146 8.3554 8.3554 8.8547 8.8547 9.6928 9.6928 10.1194 10.1194 11.1697 11.1697 k = 0.5461 0.0038-0.1262 ( 5252 PWs) bands (ev): -16.4884 -16.4884 -16.4876 -16.4876 -16.4812 -16.4812 -16.4796 -16.4796 -13.5224 -13.5224 -13.5183 -13.5183 -13.5068 -13.5068 -13.5058 -13.5058 -13.5033 -13.5033 -13.4993 -13.4993 -5.9444 -5.9444 -5.5307 -5.5307 -3.9775 -3.9775 -2.1679 -2.1679 0.2076 0.2076 4.8760 4.8760 5.4117 5.4117 5.7170 5.7170 6.1827 6.1827 6.4678 6.4678 6.6960 6.6960 6.8430 6.8430 7.4996 7.4996 7.7362 7.7362 8.3039 8.3039 8.8224 8.8224 9.6643 9.6643 10.0537 10.0537 11.1215 11.1215 k = 0.5396 0.0185-0.0991 ( 5260 PWs) bands (ev): -16.4885 -16.4885 -16.4877 -16.4877 -16.4812 -16.4812 -16.4796 -16.4796 -13.5225 -13.5225 -13.5184 -13.5184 -13.5067 -13.5067 -13.5056 -13.5056 -13.5035 -13.5035 -13.4994 -13.4994 -5.9607 -5.9607 -5.5439 -5.5439 -3.9853 -3.9853 -2.1695 -2.1695 0.2395 0.2395 4.8851 4.8851 5.5341 5.5341 5.7787 5.7787 6.2332 6.2332 6.4760 6.4760 6.7119 6.7119 6.8639 6.8639 7.4633 7.4633 7.7439 7.7439 8.2736 8.2736 8.8100 8.8100 9.6387 9.6387 9.9953 9.9953 11.0539 11.0539 k = 0.5330 0.0332-0.0720 ( 5262 PWs) bands (ev): -16.4885 -16.4885 -16.4877 -16.4877 -16.4812 -16.4812 -16.4795 -16.4795 -13.5226 -13.5226 -13.5185 -13.5185 -13.5066 -13.5066 -13.5054 -13.5054 -13.5036 -13.5036 -13.4995 -13.4995 -5.9744 -5.9744 -5.5551 -5.5551 -3.9920 -3.9920 -2.1710 -2.1710 0.2667 0.2667 4.8911 4.8911 5.6510 5.6510 5.8282 5.8282 6.2928 6.2928 6.4824 6.4824 6.7273 6.7273 6.8844 6.8844 7.3975 7.3975 7.7348 7.7348 8.2615 8.2615 8.8193 8.8193 9.6130 9.6130 9.9466 9.9466 10.9768 10.9768 k = 0.5264 0.0480-0.0449 ( 5264 PWs) bands (ev): -16.4886 -16.4886 -16.4878 -16.4878 -16.4812 -16.4812 -16.4795 -16.4795 -13.5227 -13.5227 -13.5186 -13.5186 -13.5064 -13.5064 -13.5052 -13.5052 -13.5037 -13.5037 -13.4996 -13.4996 -5.9857 -5.9857 -5.5643 -5.5643 -3.9975 -3.9975 -2.1722 -2.1722 0.2891 0.2891 4.8951 4.8951 5.7577 5.7577 5.8674 5.8674 6.3572 6.3572 6.4867 6.4867 6.7449 6.7449 6.9051 6.9051 7.3116 7.3116 7.7095 7.7095 8.2615 8.2615 8.8474 8.8474 9.5843 9.5843 9.9098 9.9098 10.9010 10.9010 k = 0.5198 0.0627-0.0178 ( 5270 PWs) bands (ev): -16.4886 -16.4886 -16.4878 -16.4878 -16.4812 -16.4812 -16.4795 -16.4795 -13.5228 -13.5228 -13.5186 -13.5186 -13.5064 -13.5064 -13.5051 -13.5051 -13.5039 -13.5039 -13.4997 -13.4997 -5.9945 -5.9945 -5.5715 -5.5715 -4.0018 -4.0018 -2.1733 -2.1733 0.3067 0.3067 4.8976 4.8976 5.8423 5.8423 5.9051 5.9051 6.4190 6.4190 6.4890 6.4890 6.7689 6.7689 6.9255 6.9255 7.2149 7.2149 7.6736 7.6736 8.2674 8.2674 8.8875 8.8875 9.5516 9.5516 9.8860 9.8860 10.8339 10.8339 k = 0.5132 0.0774 0.0093 ( 5280 PWs) bands (ev): -16.4887 -16.4887 -16.4878 -16.4878 -16.4812 -16.4812 -16.4795 -16.4795 -13.5229 -13.5229 -13.5187 -13.5187 -13.5063 -13.5063 -13.5050 -13.5050 -13.5040 -13.5040 -13.4997 -13.4997 -6.0008 -6.0008 -5.5766 -5.5766 -4.0049 -4.0049 -2.1740 -2.1740 0.3192 0.3192 4.8991 4.8991 5.8841 5.8841 5.9579 5.9579 6.4683 6.4683 6.4908 6.4908 6.8052 6.8052 6.9441 6.9441 7.1152 7.1152 7.6365 7.6365 8.2746 8.2746 8.9298 8.9298 9.5183 9.5183 9.8732 9.8732 10.7810 10.7810 k = 0.5066 0.0921 0.0365 ( 5300 PWs) bands (ev): -16.4887 -16.4887 -16.4879 -16.4879 -16.4812 -16.4812 -16.4795 -16.4795 -13.5229 -13.5229 -13.5187 -13.5187 -13.5063 -13.5063 -13.5049 -13.5049 -13.5040 -13.5040 -13.4998 -13.4998 -6.0046 -6.0046 -5.5797 -5.5797 -4.0068 -4.0068 -2.1745 -2.1745 0.3268 0.3268 4.8998 4.8998 5.8990 5.8990 6.0039 6.0039 6.4846 6.4846 6.5062 6.5062 6.8590 6.8590 6.9579 6.9579 7.0189 7.0189 7.6085 7.6085 8.2799 8.2799 8.9629 8.9629 9.4918 9.4918 9.8679 9.8679 10.7471 10.7471 k = 0.5000 0.1068 0.0636 ( 5284 PWs) bands (ev): -16.4887 -16.4887 -16.4879 -16.4879 -16.4812 -16.4812 -16.4795 -16.4795 -13.5229 -13.5229 -13.5187 -13.5187 -13.5062 -13.5062 -13.5049 -13.5049 -13.5041 -13.5041 -13.4998 -13.4998 -6.0058 -6.0058 -5.5807 -5.5807 -4.0074 -4.0074 -2.1747 -2.1747 0.3293 0.3293 4.9001 4.9001 5.9031 5.9031 6.0210 6.0210 6.4850 6.4850 6.5163 6.5163 6.9249 6.9249 6.9382 6.9382 6.9631 6.9631 7.5980 7.5980 8.2819 8.2819 8.9755 8.9755 9.4816 9.4816 9.8666 9.8666 10.7353 10.7353 k = 0.5000 0.1068 0.0636 ( 5284 PWs) bands (ev): -16.4887 -16.4887 -16.4879 -16.4879 -16.4812 -16.4812 -16.4795 -16.4795 -13.5229 -13.5229 -13.5187 -13.5187 -13.5062 -13.5062 -13.5049 -13.5049 -13.5041 -13.5041 -13.4998 -13.4998 -6.0058 -6.0058 -5.5807 -5.5807 -4.0074 -4.0074 -2.1747 -2.1747 0.3293 0.3293 4.9001 4.9001 5.9031 5.9031 6.0210 6.0210 6.4850 6.4850 6.5163 6.5163 6.9249 6.9249 6.9382 6.9382 6.9631 6.9631 7.5980 7.5980 8.2819 8.2819 8.9755 8.9755 9.4816 9.4816 9.8666 9.8666 10.7353 10.7353 k = 0.4706 0.1006 0.0598 ( 5296 PWs) bands (ev): -16.4887 -16.4887 -16.4879 -16.4879 -16.4812 -16.4812 -16.4795 -16.4795 -13.5229 -13.5229 -13.5187 -13.5187 -13.5062 -13.5062 -13.5049 -13.5049 -13.5041 -13.5041 -13.4998 -13.4998 -6.0073 -6.0073 -5.5780 -5.5780 -4.0105 -4.0105 -2.1714 -2.1714 0.3272 0.3272 4.9019 4.9019 5.9020 5.9020 6.0213 6.0213 6.4853 6.4853 6.5185 6.5185 6.9214 6.9214 6.9249 6.9249 6.9765 6.9765 7.6004 7.6004 8.2783 8.2783 8.9789 8.9789 9.4788 9.4788 9.8642 9.8642 10.7380 10.7380 k = 0.4412 0.0943 0.0561 ( 5290 PWs) bands (ev): -16.4887 -16.4887 -16.4879 -16.4879 -16.4812 -16.4812 -16.4795 -16.4795 -13.5229 -13.5229 -13.5187 -13.5187 -13.5062 -13.5062 -13.5049 -13.5049 -13.5041 -13.5041 -13.4998 -13.4998 -6.0116 -6.0116 -5.5700 -5.5700 -4.0196 -4.0196 -2.1618 -2.1618 0.3209 0.3209 4.9073 4.9073 5.8984 5.8984 6.0225 6.0225 6.4863 6.4863 6.5250 6.5250 6.9039 6.9039 6.9110 6.9110 6.9976 6.9976 7.6076 7.6076 8.2678 8.2678 8.9885 8.9885 9.4705 9.4705 9.8574 9.8574 10.7457 10.7457 k = 0.4118 0.0880 0.0524 ( 5278 PWs) bands (ev): -16.4887 -16.4887 -16.4879 -16.4879 -16.4812 -16.4812 -16.4795 -16.4795 -13.5229 -13.5229 -13.5187 -13.5187 -13.5062 -13.5062 -13.5048 -13.5048 -13.5041 -13.5041 -13.4998 -13.4998 -6.0182 -6.0182 -5.5571 -5.5571 -4.0344 -4.0344 -2.1462 -2.1462 0.3107 0.3107 4.9161 4.9161 5.8924 5.8924 6.0251 6.0251 6.4880 6.4880 6.5353 6.5353 6.8823 6.8823 6.8943 6.8943 7.0194 7.0194 7.6188 7.6188 8.2512 8.2512 9.0038 9.0038 9.4573 9.4573 9.8465 9.8465 10.7582 10.7582 k = 0.3824 0.0817 0.0486 ( 5269 PWs) bands (ev): -16.4887 -16.4887 -16.4879 -16.4879 -16.4812 -16.4812 -16.4795 -16.4795 -13.5229 -13.5229 -13.5187 -13.5187 -13.5062 -13.5062 -13.5048 -13.5048 -13.5041 -13.5041 -13.4998 -13.4998 -6.0267 -6.0267 -5.5400 -5.5400 -4.0543 -4.0543 -2.1252 -2.1252 0.2967 0.2967 4.9281 4.9281 5.8837 5.8837 6.0296 6.0296 6.4903 6.4903 6.5489 6.5489 6.8608 6.8608 6.8722 6.8722 7.0411 7.0411 7.6332 7.6332 8.2300 8.2300 9.0234 9.0234 9.4397 9.4397 9.8320 9.8320 10.7747 10.7747 k = 0.3529 0.0754 0.0449 ( 5269 PWs) bands (ev): -16.4887 -16.4887 -16.4879 -16.4879 -16.4812 -16.4812 -16.4795 -16.4795 -13.5229 -13.5229 -13.5187 -13.5187 -13.5062 -13.5062 -13.5049 -13.5049 -13.5041 -13.5041 -13.4998 -13.4998 -6.0365 -6.0365 -5.5194 -5.5194 -4.0787 -4.0787 -2.0996 -2.0996 0.2795 0.2795 4.9431 4.9431 5.8725 5.8725 6.0364 6.0364 6.4932 6.4932 6.5650 6.5650 6.8397 6.8397 6.8459 6.8459 7.0623 7.0623 7.6496 7.6496 8.2055 8.2055 9.0462 9.0462 9.4184 9.4184 9.8146 9.8146 10.7944 10.7944 k = 0.3235 0.0691 0.0411 ( 5266 PWs) bands (ev): -16.4887 -16.4887 -16.4879 -16.4879 -16.4812 -16.4812 -16.4795 -16.4795 -13.5229 -13.5229 -13.5187 -13.5187 -13.5062 -13.5062 -13.5049 -13.5049 -13.5041 -13.5041 -13.4997 -13.4997 -6.0471 -6.0471 -5.4960 -5.4960 -4.1067 -4.1067 -2.0704 -2.0704 0.2593 0.2593 4.9604 4.9604 5.8591 5.8591 6.0457 6.0457 6.4968 6.4968 6.5825 6.5825 6.8166 6.8166 6.8191 6.8191 7.0829 7.0829 7.6670 7.6670 8.1792 8.1792 9.0709 9.0709 9.3944 9.3944 9.7951 9.7951 10.8166 10.8166 k = 0.2941 0.0629 0.0374 ( 5254 PWs) bands (ev): -16.4887 -16.4887 -16.4879 -16.4879 -16.4812 -16.4812 -16.4795 -16.4795 -13.5229 -13.5229 -13.5187 -13.5187 -13.5062 -13.5062 -13.5049 -13.5049 -13.5041 -13.5041 -13.4997 -13.4997 -6.0579 -6.0579 -5.4706 -5.4706 -4.1376 -4.1376 -2.0384 -2.0384 0.2370 0.2370 4.9798 4.9798 5.8441 5.8441 6.0577 6.0577 6.5010 6.5010 6.5999 6.5999 6.7859 6.7859 6.7991 6.7991 7.1026 7.1026 7.6841 7.6841 8.1527 8.1527 9.0965 9.0965 9.3686 9.3686 9.7743 9.7743 10.8401 10.8401 k = 0.2647 0.0566 0.0337 ( 5254 PWs) bands (ev): -16.4887 -16.4887 -16.4879 -16.4879 -16.4812 -16.4812 -16.4795 -16.4795 -13.5229 -13.5229 -13.5187 -13.5187 -13.5062 -13.5062 -13.5049 -13.5049 -13.5041 -13.5041 -13.4997 -13.4997 -6.0686 -6.0686 -5.4438 -5.4438 -4.1702 -4.1702 -2.0047 -2.0047 0.2130 0.2130 5.0006 5.0006 5.8279 5.8279 6.0722 6.0722 6.5057 6.5057 6.6145 6.6145 6.7568 6.7568 6.7800 6.7800 7.1213 7.1213 7.6999 7.6999 8.1272 8.1272 9.1220 9.1220 9.3418 9.3418 9.7529 9.7529 10.8642 10.8642 k = 0.2353 0.0503 0.0299 ( 5260 PWs) bands (ev): -16.4887 -16.4887 -16.4879 -16.4879 -16.4812 -16.4812 -16.4795 -16.4795 -13.5229 -13.5229 -13.5187 -13.5187 -13.5062 -13.5062 -13.5049 -13.5049 -13.5041 -13.5041 -13.4997 -13.4997 -6.0788 -6.0788 -5.4164 -5.4164 -4.2038 -4.2038 -1.9705 -1.9705 0.1882 0.1882 5.0223 5.0223 5.8112 5.8112 6.0893 6.0893 6.5109 6.5109 6.6206 6.6206 6.7348 6.7348 6.7617 6.7617 7.1387 7.1387 7.7133 7.7133 8.1041 8.1041 9.1467 9.1467 9.3150 9.3150 9.7318 9.7318 10.8881 10.8881 k = 0.2059 0.0440 0.0262 ( 5260 PWs) bands (ev): -16.4887 -16.4887 -16.4879 -16.4879 -16.4812 -16.4812 -16.4795 -16.4795 -13.5229 -13.5229 -13.5187 -13.5187 -13.5062 -13.5062 -13.5049 -13.5049 -13.5041 -13.5041 -13.4997 -13.4997 -6.0883 -6.0883 -5.3891 -5.3891 -4.2372 -4.2372 -1.9369 -1.9369 0.1633 0.1633 5.0441 5.0441 5.7944 5.7944 6.1087 6.1087 6.5166 6.5166 6.6109 6.6109 6.7273 6.7273 6.7444 6.7444 7.1546 7.1546 7.7234 7.7234 8.0845 8.0845 9.1699 9.1699 9.2889 9.2889 9.7115 9.7115 10.9109 10.9109 k = 0.1765 0.0377 0.0224 ( 5253 PWs) bands (ev): -16.4887 -16.4887 -16.4879 -16.4879 -16.4812 -16.4812 -16.4795 -16.4795 -13.5229 -13.5229 -13.5187 -13.5187 -13.5062 -13.5062 -13.5049 -13.5049 -13.5041 -13.5041 -13.4997 -13.4997 -6.0968 -6.0968 -5.3627 -5.3627 -4.2695 -4.2695 -1.9048 -1.9048 0.1393 0.1393 5.0653 5.0653 5.7781 5.7781 6.1302 6.1302 6.5225 6.5225 6.5860 6.5860 6.7283 6.7283 6.7337 6.7337 7.1689 7.1689 7.7298 7.7298 8.0692 8.0692 9.1910 9.1910 9.2644 9.2644 9.6927 9.6927 10.9320 10.9320 k = 0.1471 0.0314 0.0187 ( 5259 PWs) bands (ev): -16.4887 -16.4887 -16.4879 -16.4879 -16.4812 -16.4812 -16.4795 -16.4795 -13.5229 -13.5229 -13.5187 -13.5187 -13.5062 -13.5062 -13.5049 -13.5049 -13.5041 -13.5041 -13.4997 -13.4997 -6.1043 -6.1043 -5.3380 -5.3380 -4.2996 -4.2996 -1.8755 -1.8755 0.1170 0.1170 5.0852 5.0852 5.7629 5.7629 6.1535 6.1535 6.5286 6.5286 6.5536 6.5536 6.7136 6.7136 6.7462 6.7462 7.1813 7.1813 7.7324 7.7324 8.0583 8.0583 9.2094 9.2094 9.2423 9.2423 9.6759 9.6759 10.9508 10.9508 k = 0.1176 0.0251 0.0150 ( 5259 PWs) bands (ev): -16.4887 -16.4887 -16.4879 -16.4879 -16.4812 -16.4812 -16.4795 -16.4795 -13.5229 -13.5229 -13.5187 -13.5187 -13.5062 -13.5062 -13.5049 -13.5049 -13.5041 -13.5041 -13.4997 -13.4997 -6.1105 -6.1105 -5.3160 -5.3160 -4.3263 -4.3263 -1.8498 -1.8498 0.0972 0.0972 5.1030 5.1030 5.7494 5.7494 6.1780 6.1780 6.5190 6.5190 6.5345 6.5345 6.7006 6.7006 6.7599 6.7599 7.1917 7.1917 7.7319 7.7319 8.0515 8.0515 9.2213 9.2213 9.2270 9.2270 9.6615 9.6615 10.9669 10.9669 k = 0.0882 0.0189 0.0112 ( 5259 PWs) bands (ev): -16.4887 -16.4887 -16.4879 -16.4879 -16.4812 -16.4812 -16.4795 -16.4795 -13.5229 -13.5229 -13.5187 -13.5187 -13.5062 -13.5062 -13.5049 -13.5049 -13.5041 -13.5041 -13.4997 -13.4997 -6.1155 -6.1155 -5.2975 -5.2975 -4.3486 -4.3486 -1.8287 -1.8287 0.0808 0.0808 5.1179 5.1179 5.7381 5.7381 6.2028 6.2028 6.4852 6.4852 6.5399 6.5399 6.6895 6.6895 6.7722 6.7722 7.2000 7.2000 7.7296 7.7296 8.0479 8.0479 9.2070 9.2070 9.2381 9.2381 9.6499 9.6499 10.9798 10.9798 k = 0.0588 0.0126 0.0075 ( 5256 PWs) bands (ev): -16.4887 -16.4887 -16.4879 -16.4879 -16.4812 -16.4812 -16.4795 -16.4795 -13.5229 -13.5229 -13.5187 -13.5187 -13.5062 -13.5062 -13.5049 -13.5049 -13.5041 -13.5041 -13.4997 -13.4997 -6.1190 -6.1190 -5.2835 -5.2835 -4.3654 -4.3654 -1.8131 -1.8131 0.0685 0.0685 5.1291 5.1291 5.7295 5.7295 6.2259 6.2259 6.4553 6.4553 6.5444 6.5444 6.6811 6.6811 6.7817 6.7817 7.2060 7.2060 7.7267 7.7267 8.0463 8.0463 9.1955 9.1955 9.2471 9.2471 9.6414 9.6414 10.9893 10.9893 k = 0.0294 0.0063 0.0037 ( 5247 PWs) bands (ev): -16.4887 -16.4887 -16.4879 -16.4879 -16.4812 -16.4812 -16.4795 -16.4795 -13.5229 -13.5229 -13.5187 -13.5187 -13.5062 -13.5062 -13.5049 -13.5049 -13.5041 -13.5041 -13.4997 -13.4997 -6.1212 -6.1212 -5.2748 -5.2748 -4.3759 -4.3759 -1.8034 -1.8034 0.0609 0.0609 5.1362 5.1362 5.7242 5.7242 6.2438 6.2438 6.4332 6.4332 6.5474 6.5474 6.6757 6.6757 6.7878 6.7878 7.2097 7.2097 7.7244 7.7244 8.0458 8.0458 9.1885 9.1885 9.2526 9.2526 9.6363 9.6363 10.9950 10.9950 k = 0.0000 0.0000 0.0000 ( 5247 PWs) bands (ev): -16.4887 -16.4887 -16.4879 -16.4879 -16.4812 -16.4812 -16.4795 -16.4795 -13.5229 -13.5229 -13.5187 -13.5187 -13.5062 -13.5062 -13.5049 -13.5049 -13.5041 -13.5041 -13.4997 -13.4997 -6.1219 -6.1219 -5.2718 -5.2718 -4.3795 -4.3795 -1.8001 -1.8001 0.0583 0.0583 5.1385 5.1385 5.7224 5.7224 6.2508 6.2508 6.4247 6.4247 6.5485 6.5485 6.6738 6.6738 6.7898 6.7898 7.2109 7.2109 7.7236 7.7236 8.0457 8.0457 9.1861 9.1861 9.2545 9.2545 9.6345 9.6345 10.9970 10.9970 k = 0.0000 0.0000 0.0000 ( 5247 PWs) bands (ev): -16.4887 -16.4887 -16.4879 -16.4879 -16.4812 -16.4812 -16.4795 -16.4795 -13.5229 -13.5229 -13.5187 -13.5187 -13.5062 -13.5062 -13.5049 -13.5049 -13.5041 -13.5041 -13.4997 -13.4997 -6.1219 -6.1219 -5.2718 -5.2718 -4.3795 -4.3795 -1.8001 -1.8001 0.0583 0.0583 5.1385 5.1385 5.7224 5.7224 6.2508 6.2508 6.4247 6.4247 6.5485 6.5485 6.6738 6.6738 6.7898 6.7898 7.2109 7.2109 7.7236 7.7236 8.0457 8.0457 9.1861 9.1861 9.2545 9.2545 9.6345 9.6345 10.9970 10.9970 k = 0.0066-0.0148-0.0273 ( 5247 PWs) bands (ev): -16.4887 -16.4887 -16.4879 -16.4879 -16.4812 -16.4812 -16.4795 -16.4795 -13.5229 -13.5229 -13.5187 -13.5187 -13.5063 -13.5063 -13.5049 -13.5049 -13.5041 -13.5041 -13.4997 -13.4997 -6.1207 -6.1207 -5.2708 -5.2708 -4.3787 -4.3787 -1.8004 -1.8004 0.0566 0.0566 5.1333 5.1333 5.7112 5.7112 6.2415 6.2415 6.4200 6.4200 6.5607 6.5607 6.6823 6.6823 6.7836 6.7836 7.1937 7.1937 7.7281 7.7281 8.0527 8.0527 9.1875 9.1875 9.2582 9.2582 9.6475 9.6475 10.9987 10.9987 k = 0.0133-0.0296-0.0546 ( 5251 PWs) bands (ev): -16.4887 -16.4887 -16.4879 -16.4879 -16.4812 -16.4812 -16.4795 -16.4795 -13.5228 -13.5228 -13.5187 -13.5187 -13.5063 -13.5063 -13.5050 -13.5050 -13.5040 -13.5040 -13.4997 -13.4997 -6.1169 -6.1169 -5.2678 -5.2678 -4.3763 -4.3763 -1.8012 -1.8012 0.0513 0.0513 5.1178 5.1178 5.6790 5.6790 6.2171 6.2171 6.4059 6.4059 6.5920 6.5920 6.7021 6.7021 6.7703 6.7703 7.1494 7.1494 7.7328 7.7328 8.0769 8.0769 9.1855 9.1855 9.2764 9.2764 9.6844 9.6844 11.0039 11.0039 k = 0.0199-0.0445-0.0819 ( 5257 PWs) bands (ev): -16.4886 -16.4886 -16.4878 -16.4878 -16.4812 -16.4812 -16.4795 -16.4795 -13.5228 -13.5228 -13.5187 -13.5187 -13.5064 -13.5064 -13.5051 -13.5051 -13.5039 -13.5039 -13.4996 -13.4996 -6.1106 -6.1106 -5.2627 -5.2627 -4.3722 -4.3722 -1.8027 -1.8027 0.0425 0.0425 5.0928 5.0928 5.6291 5.6291 6.1835 6.1835 6.3832 6.3832 6.6222 6.6222 6.7140 6.7140 6.7776 6.7776 7.0916 7.0916 7.7248 7.7248 8.1211 8.1211 9.1740 9.1740 9.3155 9.3155 9.7413 9.7413 11.0125 11.0125 k = 0.0265-0.0593-0.1092 ( 5269 PWs) bands (ev): -16.4886 -16.4886 -16.4878 -16.4878 -16.4812 -16.4812 -16.4795 -16.4795 -13.5227 -13.5227 -13.5186 -13.5186 -13.5064 -13.5064 -13.5053 -13.5053 -13.5038 -13.5038 -13.4995 -13.4995 -6.1019 -6.1019 -5.2557 -5.2557 -4.3666 -4.3666 -1.8047 -1.8047 0.0302 0.0302 5.0594 5.0594 5.5656 5.5656 6.1436 6.1436 6.3515 6.3515 6.6103 6.6103 6.7355 6.7355 6.8201 6.8201 7.0320 7.0320 7.7021 7.7021 8.1810 8.1810 9.1561 9.1561 9.3725 9.3725 9.8134 9.8134 11.0243 11.0243 k = 0.0332-0.0741-0.1365 ( 5273 PWs) bands (ev): -16.4885 -16.4885 -16.4877 -16.4877 -16.4812 -16.4812 -16.4795 -16.4795 -13.5226 -13.5226 -13.5185 -13.5185 -13.5066 -13.5066 -13.5054 -13.5054 -13.5037 -13.5037 -13.4995 -13.4995 -6.0906 -6.0906 -5.2466 -5.2466 -4.3594 -4.3594 -1.8073 -1.8073 0.0142 0.0142 5.0189 5.0189 5.4921 5.4921 6.0974 6.0974 6.3090 6.3090 6.5650 6.5650 6.7683 6.7683 6.8793 6.8793 6.9814 6.9814 7.6706 7.6706 8.2478 8.2478 9.1349 9.1349 9.4431 9.4431 9.8967 9.8967 11.0385 11.0385 k = 0.0398-0.0889-0.1638 ( 5269 PWs) bands (ev): -16.4885 -16.4885 -16.4877 -16.4877 -16.4813 -16.4813 -16.4795 -16.4795 -13.5225 -13.5225 -13.5184 -13.5184 -13.5067 -13.5067 -13.5056 -13.5056 -13.5035 -13.5035 -13.4994 -13.4994 -6.0769 -6.0769 -5.2356 -5.2356 -4.3506 -4.3506 -1.8106 -1.8106 -0.0053 -0.0053 4.9729 4.9729 5.4113 5.4113 6.0429 6.0429 6.2548 6.2548 6.5155 6.5155 6.7719 6.7719 6.9465 6.9465 6.9629 6.9629 7.6369 7.6369 8.3147 8.3147 9.1121 9.1121 9.5235 9.5235 9.9876 9.9876 11.0532 11.0532 k = 0.0465-0.1037-0.1911 ( 5265 PWs) bands (ev): -16.4884 -16.4884 -16.4876 -16.4876 -16.4813 -16.4813 -16.4795 -16.4795 -13.5224 -13.5224 -13.5183 -13.5183 -13.5068 -13.5068 -13.5058 -13.5058 -13.5034 -13.5034 -13.4992 -13.4992 -6.0606 -6.0606 -5.2226 -5.2226 -4.3404 -4.3404 -1.8146 -1.8146 -0.0285 -0.0285 4.9226 4.9226 5.3253 5.3253 5.9764 5.9764 6.1924 6.1924 6.4710 6.4710 6.7296 6.7296 6.9779 6.9779 7.0276 7.0276 7.6051 7.6051 8.3774 8.3774 9.0883 9.0883 9.6103 9.6103 10.0835 10.0835 11.0646 11.0646 k = 0.0531-0.1186-0.2184 ( 5261 PWs) bands (ev): -16.4883 -16.4883 -16.4875 -16.4875 -16.4813 -16.4813 -16.4796 -16.4796 -13.5222 -13.5222 -13.5182 -13.5182 -13.5070 -13.5070 -13.5061 -13.5061 -13.5032 -13.5032 -13.4991 -13.4991 -6.0419 -6.0419 -5.2077 -5.2077 -4.3286 -4.3286 -1.8194 -1.8194 -0.0554 -0.0554 4.8695 4.8695 5.2357 5.2357 5.8951 5.8951 6.1285 6.1285 6.4309 6.4309 6.6621 6.6621 7.0171 7.0171 7.1075 7.1075 7.5776 7.5776 8.4333 8.4333 9.0643 9.0643 9.6991 9.6991 10.1827 10.1827 11.0677 11.0677 k = 0.0597-0.1334-0.2456 ( 5257 PWs) bands (ev): -16.4882 -16.4882 -16.4874 -16.4874 -16.4813 -16.4813 -16.4796 -16.4796 -13.5221 -13.5221 -13.5181 -13.5181 -13.5072 -13.5072 -13.5063 -13.5063 -13.5030 -13.5030 -13.4989 -13.4989 -6.0208 -6.0208 -5.1909 -5.1909 -4.3154 -4.3154 -1.8250 -1.8250 -0.0859 -0.0859 4.8146 4.8146 5.1434 5.1434 5.7996 5.7996 6.0671 6.0671 6.3912 6.3912 6.5866 6.5866 7.0611 7.0611 7.1885 7.1885 7.5554 7.5554 8.4812 8.4812 9.0409 9.0409 9.7847 9.7847 10.2849 10.2849 11.0620 11.0620 k = 0.0664-0.1482-0.2729 ( 5259 PWs) bands (ev): -16.4881 -16.4881 -16.4873 -16.4873 -16.4813 -16.4813 -16.4796 -16.4796 -13.5220 -13.5220 -13.5180 -13.5180 -13.5073 -13.5073 -13.5065 -13.5065 -13.5028 -13.5028 -13.4988 -13.4988 -5.9972 -5.9972 -5.1722 -5.1722 -4.3007 -4.3007 -1.8315 -1.8315 -0.1202 -0.1202 4.7590 4.7590 5.0492 5.0492 5.6938 5.6938 6.0080 6.0080 6.3463 6.3463 6.5128 6.5128 7.1047 7.1047 7.2684 7.2684 7.5384 7.5384 8.5201 8.5201 9.0195 9.0195 9.8614 9.8614 10.3911 10.3911 11.0527 11.0527 k = 0.0730-0.1630-0.3002 ( 5255 PWs) bands (ev): -16.4880 -16.4880 -16.4872 -16.4872 -16.4813 -16.4813 -16.4797 -16.4797 -13.5218 -13.5218 -13.5179 -13.5179 -13.5075 -13.5075 -13.5068 -13.5068 -13.5025 -13.5025 -13.4986 -13.4986 -5.9712 -5.9712 -5.1517 -5.1517 -4.2847 -4.2847 -1.8390 -1.8390 -0.1582 -0.1582 4.7033 4.7033 4.9538 4.9538 5.5821 5.5821 5.9488 5.9488 6.2904 6.2904 6.4488 6.4488 7.1459 7.1459 7.3451 7.3451 7.5268 7.5268 8.5491 8.5491 9.0020 9.0020 9.9244 9.9244 10.5027 10.5027 11.0458 11.0458 k = 0.0796-0.1778-0.3275 ( 5263 PWs) bands (ev): -16.4878 -16.4878 -16.4871 -16.4871 -16.4813 -16.4813 -16.4797 -16.4797 -13.5217 -13.5217 -13.5178 -13.5178 -13.5077 -13.5077 -13.5070 -13.5070 -13.5023 -13.5023 -13.4984 -13.4984 -5.9428 -5.9428 -5.1293 -5.1293 -4.2674 -4.2674 -1.8476 -1.8476 -0.1998 -0.1998 4.6480 4.6480 4.8577 4.8577 5.4681 5.4681 5.8872 5.8872 6.2221 6.2221 6.3977 6.3977 7.1833 7.1833 7.4148 7.4148 7.5222 7.5222 8.5676 8.5676 8.9903 8.9903 9.9712 9.9712 10.6200 10.6200 11.0455 11.0455 k = 0.0863-0.1927-0.3548 ( 5263 PWs) bands (ev): -16.4877 -16.4877 -16.4870 -16.4870 -16.4813 -16.4813 -16.4797 -16.4797 -13.5216 -13.5216 -13.5177 -13.5177 -13.5079 -13.5079 -13.5072 -13.5072 -13.5020 -13.5020 -13.4981 -13.4981 -5.9121 -5.9121 -5.1053 -5.1053 -4.2489 -4.2489 -1.8572 -1.8572 -0.2452 -0.2452 4.5931 4.5931 4.7614 4.7614 5.3544 5.3544 5.8215 5.8215 6.1470 6.1470 6.3558 6.3558 7.2159 7.2159 7.4656 7.4656 7.5344 7.5344 8.5757 8.5757 8.9865 8.9865 10.0022 10.0022 10.7412 10.7412 11.0548 11.0548 k = 0.0929-0.2075-0.3821 ( 5255 PWs) bands (ev): -16.4876 -16.4876 -16.4868 -16.4868 -16.4813 -16.4813 -16.4798 -16.4798 -13.5215 -13.5215 -13.5177 -13.5177 -13.5081 -13.5081 -13.5074 -13.5074 -13.5017 -13.5017 -13.4979 -13.4979 -5.8789 -5.8789 -5.0795 -5.0795 -4.2291 -4.2291 -1.8681 -1.8681 -0.2941 -0.2941 4.5382 4.5382 4.6659 4.6659 5.2429 5.2429 5.7510 5.7510 6.0709 6.0709 6.3183 6.3183 7.2429 7.2429 7.4827 7.4827 7.5757 7.5757 8.5750 8.5750 8.9912 8.9912 10.0202 10.0202 10.8599 10.8599 11.0784 11.0784 k = 0.0996-0.2223-0.4094 ( 5247 PWs) bands (ev): -16.4874 -16.4874 -16.4867 -16.4867 -16.4813 -16.4813 -16.4798 -16.4798 -13.5214 -13.5214 -13.5177 -13.5177 -13.5082 -13.5082 -13.5076 -13.5076 -13.5014 -13.5014 -13.4976 -13.4976 -5.8435 -5.8435 -5.0521 -5.0521 -4.2083 -4.2083 -1.8802 -1.8802 -0.3466 -0.3466 4.4812 4.4812 4.5731 4.5731 5.1351 5.1351 5.6760 5.6760 5.9973 5.9973 6.2823 6.2823 7.2635 7.2635 7.4861 7.4861 7.6238 7.6238 8.5689 8.5689 9.0039 9.0039 10.0287 10.0287 10.9606 10.9606 11.1289 11.1289 k = 0.1062-0.2371-0.4367 ( 5245 PWs) bands (ev): -16.4873 -16.4873 -16.4866 -16.4866 -16.4813 -16.4813 -16.4798 -16.4798 -13.5213 -13.5213 -13.5177 -13.5177 -13.5084 -13.5084 -13.5078 -13.5078 -13.5010 -13.5010 -13.4974 -13.4974 -5.8058 -5.8058 -5.0231 -5.0231 -4.1864 -4.1864 -1.8937 -1.8937 -0.4025 -0.4025 4.4165 4.4165 4.4886 4.4886 5.0322 5.0322 5.5975 5.5975 5.9272 5.9272 6.2461 6.2461 7.2768 7.2768 7.4876 7.4876 7.6641 7.6641 8.5621 8.5621 9.0230 9.0230 10.0318 10.0318 11.0263 11.0263 11.2203 11.2203 k = 0.1128-0.2519-0.4640 ( 5245 PWs) bands (ev): -16.4871 -16.4871 -16.4864 -16.4864 -16.4813 -16.4813 -16.4799 -16.4799 -13.5213 -13.5213 -13.5177 -13.5177 -13.5085 -13.5085 -13.5080 -13.5080 -13.5007 -13.5007 -13.4971 -13.4971 -5.7658 -5.7658 -4.9926 -4.9926 -4.1635 -4.1635 -1.9086 -1.9086 -0.4618 -0.4618 4.3368 4.3368 4.4191 4.4191 4.9354 4.9354 5.5176 5.5176 5.8605 5.8605 6.2090 6.2090 7.2821 7.2821 7.4896 7.4896 7.6916 7.6916 8.5592 8.5592 9.0470 9.0470 10.0325 10.0325 11.0691 11.0691 11.3376 11.3376 k = 0.1195-0.2668-0.4913 ( 5247 PWs) bands (ev): -16.4870 -16.4870 -16.4863 -16.4863 -16.4813 -16.4813 -16.4799 -16.4799 -13.5213 -13.5213 -13.5178 -13.5178 -13.5086 -13.5086 -13.5082 -13.5082 -13.5003 -13.5003 -13.4968 -13.4968 -5.7236 -5.7236 -4.9607 -4.9607 -4.1398 -4.1398 -1.9249 -1.9249 -0.5241 -0.5241 4.2460 4.2460 4.3601 4.3601 4.8458 4.8458 5.4383 5.4383 5.7964 5.7964 6.1706 6.1706 7.2787 7.2787 7.4925 7.4925 7.7039 7.7039 8.5643 8.5643 9.0747 9.0747 10.0335 10.0335 11.1054 11.1054 11.4617 11.4617 k = 0.1261-0.2816-0.5186 ( 5249 PWs) bands (ev): -16.4868 -16.4868 -16.4862 -16.4862 -16.4813 -16.4813 -16.4799 -16.4799 -13.5213 -13.5213 -13.5179 -13.5179 -13.5087 -13.5087 -13.5083 -13.5083 -13.5000 -13.5000 -13.4965 -13.4965 -5.6792 -5.6792 -4.9274 -4.9274 -4.1152 -4.1152 -1.9427 -1.9427 -0.5895 -0.5895 4.1511 4.1511 4.3036 4.3036 4.7645 4.7645 5.3617 5.3617 5.7342 5.7342 6.1305 6.1305 7.2663 7.2663 7.4962 7.4962 7.7002 7.7002 8.5796 8.5796 9.1052 9.1052 10.0369 10.0369 11.1409 11.1409 11.5844 11.5844 k = 0.1327-0.2964-0.5459 ( 5239 PWs) bands (ev): -16.4867 -16.4867 -16.4860 -16.4860 -16.4812 -16.4812 -16.4800 -16.4800 -13.5214 -13.5214 -13.5180 -13.5180 -13.5088 -13.5088 -13.5084 -13.5084 -13.4996 -13.4996 -13.4962 -13.4962 -5.6327 -5.6327 -4.8929 -4.8929 -4.0899 -4.0899 -1.9620 -1.9620 -0.6576 -0.6576 4.0553 4.0553 4.2459 4.2459 4.6920 4.6920 5.2893 5.2893 5.6734 5.6734 6.0886 6.0886 7.2449 7.2449 7.5005 7.5005 7.6814 7.6814 8.6054 8.6054 9.1381 9.1381 10.0439 10.0439 11.1773 11.1773 11.7021 11.7021 k = 0.1394-0.3112-0.5732 ( 5241 PWs) bands (ev): -16.4865 -16.4865 -16.4859 -16.4859 -16.4812 -16.4812 -16.4800 -16.4800 -13.5215 -13.5215 -13.5181 -13.5181 -13.5088 -13.5088 -13.5085 -13.5085 -13.4992 -13.4992 -13.4958 -13.4958 -5.5842 -5.5842 -4.8572 -4.8572 -4.0640 -4.0640 -1.9829 -1.9829 -0.7284 -0.7284 3.9598 3.9598 4.1851 4.1851 4.6289 4.6289 5.2228 5.2228 5.6137 5.6137 6.0449 6.0449 7.2147 7.2147 7.5051 7.5051 7.6496 7.6496 8.6404 8.6404 9.1729 9.1729 10.0556 10.0556 11.2151 11.2151 11.8125 11.8125 k = 0.1460-0.3260-0.6005 ( 5239 PWs) bands (ev): -16.4864 -16.4864 -16.4858 -16.4858 -16.4812 -16.4812 -16.4801 -16.4801 -13.5216 -13.5216 -13.5183 -13.5183 -13.5089 -13.5089 -13.5085 -13.5085 -13.4988 -13.4988 -13.4955 -13.4955 -5.5337 -5.5337 -4.8205 -4.8205 -4.0376 -4.0376 -2.0053 -2.0053 -0.8014 -0.8014 3.8655 3.8655 4.1205 4.1205 4.5746 4.5746 5.1631 5.1631 5.5549 5.5549 5.9993 5.9993 7.1763 7.1763 7.5092 7.5092 7.6079 7.6079 8.6827 8.6827 9.2095 9.2095 10.0726 10.0726 11.2544 11.2544 11.9140 11.9140 k = 0.1527-0.3409-0.6278 ( 5235 PWs) bands (ev): -16.4862 -16.4862 -16.4856 -16.4856 -16.4812 -16.4812 -16.4801 -16.4801 -13.5217 -13.5217 -13.5185 -13.5185 -13.5089 -13.5089 -13.5086 -13.5086 -13.4983 -13.4983 -13.4952 -13.4952 -5.4812 -5.4812 -4.7829 -4.7829 -4.0108 -4.0108 -2.0293 -2.0293 -0.8766 -0.8766 3.7730 3.7730 4.0524 4.0524 4.5281 4.5281 5.1112 5.1112 5.4973 5.4973 5.9520 5.9520 7.1303 7.1303 7.5104 7.5104 7.5607 7.5607 8.7303 8.7303 9.2479 9.2479 10.0949 10.0949 11.2952 11.2952 12.0052 12.0052 k = 0.1593-0.3557-0.6551 ( 5241 PWs) bands (ev): -16.4861 -16.4861 -16.4855 -16.4855 -16.4812 -16.4812 -16.4801 -16.4801 -13.5218 -13.5218 -13.5186 -13.5186 -13.5089 -13.5089 -13.5086 -13.5086 -13.4979 -13.4979 -13.4949 -13.4949 -5.4269 -5.4269 -4.7444 -4.7444 -3.9836 -3.9836 -2.0547 -2.0547 -0.9537 -0.9537 3.6827 3.6827 3.9815 3.9815 4.4880 4.4880 5.0676 5.0676 5.4411 5.4411 5.9030 5.9030 7.0778 7.0778 7.4873 7.4873 7.5314 7.5314 8.7813 8.7813 9.2879 9.2879 10.1226 10.1226 11.3375 11.3375 12.0854 12.0854 k = 0.1659-0.3705-0.6823 ( 5237 PWs) bands (ev): -16.4860 -16.4860 -16.4854 -16.4854 -16.4811 -16.4811 -16.4802 -16.4802 -13.5220 -13.5220 -13.5188 -13.5188 -13.5090 -13.5090 -13.5087 -13.5087 -13.4975 -13.4975 -13.4945 -13.4945 -5.3708 -5.3708 -4.7053 -4.7053 -3.9561 -3.9561 -2.0816 -2.0816 -1.0324 -1.0324 3.5951 3.5951 3.9087 3.9087 4.4525 4.4525 5.0326 5.0326 5.3867 5.3867 5.8525 5.8525 7.0196 7.0196 7.4305 7.4305 7.5305 7.5305 8.8342 8.8342 9.3297 9.3297 10.1554 10.1554 11.3810 11.3810 12.1538 12.1538 k = 0.1726-0.3853-0.7096 ( 5239 PWs) bands (ev): -16.4858 -16.4858 -16.4852 -16.4852 -16.4811 -16.4811 -16.4802 -16.4802 -13.5221 -13.5221 -13.5190 -13.5190 -13.5090 -13.5090 -13.5087 -13.5087 -13.4971 -13.4971 -13.4942 -13.4942 -5.3131 -5.3131 -4.6656 -4.6656 -3.9285 -3.9285 -2.1098 -2.1098 -1.1126 -1.1126 3.5106 3.5106 3.8349 3.8349 4.4202 4.4202 5.0061 5.0061 5.3348 5.3348 5.8006 5.8006 6.9570 6.9570 7.3659 7.3659 7.5334 7.5334 8.8879 8.8879 9.3731 9.3731 10.1931 10.1931 11.4258 11.4258 12.2102 12.2102 k = 0.1792-0.4001-0.7369 ( 5249 PWs) bands (ev): -16.4857 -16.4857 -16.4851 -16.4851 -16.4811 -16.4811 -16.4802 -16.4802 -13.5223 -13.5223 -13.5192 -13.5192 -13.5090 -13.5090 -13.5086 -13.5086 -13.4967 -13.4967 -13.4939 -13.4939 -5.2538 -5.2538 -4.6256 -4.6256 -3.9008 -3.9008 -2.1394 -2.1394 -1.1938 -1.1938 3.4296 3.4296 3.7611 3.7611 4.3896 4.3896 4.9878 4.9878 5.2859 5.2859 5.7477 5.7477 6.8908 6.8908 7.2976 7.2976 7.5365 7.5365 8.9413 8.9413 9.4181 9.4181 10.2352 10.2352 11.4716 11.4716 12.2544 12.2544 k = 0.1858-0.4149-0.7642 ( 5243 PWs) bands (ev): -16.4856 -16.4856 -16.4850 -16.4850 -16.4810 -16.4810 -16.4803 -16.4803 -13.5224 -13.5224 -13.5193 -13.5193 -13.5091 -13.5091 -13.5086 -13.5086 -13.4964 -13.4964 -13.4936 -13.4936 -5.1931 -5.1931 -4.5855 -4.5855 -3.8731 -3.8731 -2.1700 -2.1700 -1.2760 -1.2760 3.3523 3.3523 3.6882 3.6882 4.3595 4.3595 4.9770 4.9770 5.2410 5.2410 5.6940 5.6940 6.8222 6.8222 7.2269 7.2269 7.5393 7.5393 8.9937 8.9937 9.4647 9.4647 10.2812 10.2812 11.5183 11.5183 12.2868 12.2868 k = 0.1925-0.4298-0.7915 ( 5233 PWs) bands (ev): -16.4855 -16.4855 -16.4848 -16.4848 -16.4810 -16.4810 -16.4803 -16.4803 -13.5225 -13.5225 -13.5195 -13.5195 -13.5092 -13.5092 -13.5086 -13.5086 -13.4960 -13.4960 -13.4933 -13.4933 -5.1311 -5.1311 -4.5453 -4.5453 -3.8455 -3.8455 -2.2017 -2.2017 -1.3588 -1.3588 3.2791 3.2791 3.6167 3.6167 4.3288 4.3288 4.9727 4.9727 5.2009 5.2009 5.6401 5.6401 6.7521 6.7521 7.1546 7.1546 7.5415 7.5415 9.0443 9.0443 9.5127 9.5127 10.3307 10.3307 11.5659 11.5659 12.3081 12.3081 k = 0.1991-0.4446-0.8188 ( 5237 PWs) bands (ev): -16.4853 -16.4853 -16.4847 -16.4847 -16.4810 -16.4810 -16.4803 -16.4803 -13.5226 -13.5226 -13.5196 -13.5196 -13.5093 -13.5093 -13.5086 -13.5086 -13.4956 -13.4956 -13.4931 -13.4931 -5.0680 -5.0680 -4.5053 -4.5053 -3.8179 -3.8179 -2.2342 -2.2342 -1.4420 -1.4420 3.2103 3.2103 3.5473 3.5473 4.2967 4.2967 4.9737 4.9737 5.1666 5.1666 5.5866 5.5866 6.6811 6.6811 7.0815 7.0815 7.5429 7.5429 9.0925 9.0925 9.5620 9.5620 10.3832 10.3832 11.6140 11.6140 12.3196 12.3196 k = 0.2057-0.4594-0.8461 ( 5239 PWs) bands (ev): -16.4852 -16.4852 -16.4846 -16.4846 -16.4810 -16.4810 -16.4803 -16.4803 -13.5227 -13.5227 -13.5197 -13.5197 -13.5094 -13.5094 -13.5085 -13.5085 -13.4953 -13.4953 -13.4928 -13.4928 -5.0040 -5.0040 -4.4657 -4.4657 -3.7904 -3.7904 -2.2674 -2.2674 -1.5254 -1.5254 3.1460 3.1460 3.4806 3.4806 4.2623 4.2623 4.9783 4.9783 5.1389 5.1389 5.5343 5.5343 6.6101 6.6101 7.0082 7.0082 7.5436 7.5436 9.1380 9.1380 9.6124 9.6124 10.4379 10.4379 11.6625 11.6625 12.3230 12.3230 k = 0.2124-0.4742-0.8734 ( 5245 PWs) bands (ev): -16.4851 -16.4851 -16.4844 -16.4844 -16.4809 -16.4809 -16.4804 -16.4804 -13.5228 -13.5228 -13.5198 -13.5198 -13.5095 -13.5095 -13.5085 -13.5085 -13.4950 -13.4950 -13.4926 -13.4926 -4.9393 -4.9393 -4.4268 -4.4268 -3.7631 -3.7631 -2.3011 -2.3011 -1.6088 -1.6088 3.0863 3.0863 3.4170 3.4170 4.2251 4.2251 4.9848 4.9848 5.1183 5.1183 5.4846 5.4846 6.5396 6.5396 6.9356 6.9356 7.5434 7.5434 9.1802 9.1802 9.6637 9.6637 10.4945 10.4945 11.7111 11.7111 12.3199 12.3199 k = 0.2190-0.4890-0.9007 ( 5247 PWs) bands (ev): -16.4850 -16.4850 -16.4843 -16.4843 -16.4809 -16.4809 -16.4804 -16.4804 -13.5228 -13.5228 -13.5199 -13.5199 -13.5096 -13.5096 -13.5085 -13.5085 -13.4947 -13.4947 -13.4924 -13.4924 -4.8741 -4.8741 -4.3887 -4.3887 -3.7358 -3.7358 -2.3351 -2.3351 -1.6920 -1.6920 3.0316 3.0316 3.3571 3.3571 4.1847 4.1847 4.9912 4.9912 5.1045 5.1045 5.4393 5.4393 6.4702 6.4702 6.8643 6.8643 7.5424 7.5424 9.2188 9.2188 9.7155 9.7155 10.5521 10.5521 11.7591 11.7591 12.3123 12.3123 k = 0.2257-0.5039-0.9280 ( 5241 PWs) bands (ev): -16.4849 -16.4849 -16.4842 -16.4842 -16.4809 -16.4809 -16.4804 -16.4804 -13.5228 -13.5228 -13.5199 -13.5199 -13.5098 -13.5098 -13.5085 -13.5085 -13.4945 -13.4945 -13.4922 -13.4922 -4.8088 -4.8088 -4.3518 -4.3518 -3.7085 -3.7085 -2.3691 -2.3691 -1.7747 -1.7747 2.9818 2.9818 3.3012 3.3012 4.1409 4.1409 4.9957 4.9957 5.0959 5.0959 5.4012 5.4012 6.4024 6.4024 6.7953 6.7953 7.5404 7.5404 9.2536 9.2536 9.7673 9.7673 10.6099 10.6099 11.8058 11.8058 12.3022 12.3022 k = 0.2323-0.5187-0.9553 ( 5243 PWs) bands (ev): -16.4848 -16.4848 -16.4841 -16.4841 -16.4809 -16.4809 -16.4805 -16.4805 -13.5228 -13.5228 -13.5199 -13.5199 -13.5099 -13.5099 -13.5085 -13.5085 -13.4942 -13.4942 -13.4920 -13.4920 -4.7436 -4.7436 -4.3162 -4.3162 -3.6811 -3.6811 -2.4029 -2.4029 -1.8567 -1.8567 2.9371 2.9371 3.2498 3.2498 4.0938 4.0938 4.9964 4.9964 5.0898 5.0898 5.3741 5.3741 6.3365 6.3365 6.7297 6.7297 7.5375 7.5375 9.2844 9.2844 9.8187 9.8187 10.6672 10.6672 11.8502 11.8502 12.2920 12.2920 k = 0.2389-0.5335-0.9826 ( 5241 PWs) bands (ev): -16.4847 -16.4847 -16.4839 -16.4839 -16.4809 -16.4809 -16.4805 -16.4805 -13.5228 -13.5228 -13.5199 -13.5199 -13.5101 -13.5101 -13.5085 -13.5085 -13.4940 -13.4940 -13.4919 -13.4919 -4.6789 -4.6789 -4.2823 -4.2823 -3.6535 -3.6535 -2.4362 -2.4362 -1.9378 -1.9378 2.8976 2.8976 3.2031 3.2031 4.0436 4.0436 4.9900 4.9900 5.0850 5.0850 5.3608 5.3608 6.2729 6.2729 6.6686 6.6686 7.5337 7.5337 9.3111 9.3111 9.8691 9.8691 10.7227 10.7227 11.8907 11.8907 12.2847 12.2847 k = 0.2456-0.5483-1.0099 ( 5237 PWs) bands (ev): -16.4846 -16.4846 -16.4838 -16.4838 -16.4809 -16.4809 -16.4806 -16.4806 -13.5227 -13.5227 -13.5198 -13.5198 -13.5103 -13.5103 -13.5085 -13.5085 -13.4938 -13.4938 -13.4918 -13.4918 -4.6153 -4.6153 -4.2502 -4.2502 -3.6254 -3.6254 -2.4689 -2.4689 -2.0179 -2.0179 2.8633 2.8633 3.1615 3.1615 3.9907 3.9907 4.9721 4.9721 5.0838 5.0838 5.3618 5.3618 6.2120 6.2120 6.6134 6.6134 7.5289 7.5289 9.3337 9.3337 9.9179 9.9179 10.7751 10.7751 11.9253 11.9253 12.2836 12.2836 k = 0.2522-0.5631-1.0372 ( 5223 PWs) bands (ev): -16.4846 -16.4846 -16.4837 -16.4837 -16.4809 -16.4809 -16.4806 -16.4806 -13.5226 -13.5226 -13.5197 -13.5197 -13.5106 -13.5106 -13.5085 -13.5085 -13.4936 -13.4936 -13.4917 -13.4917 -4.5531 -4.5531 -4.2204 -4.2204 -3.5966 -3.5966 -2.5006 -2.5006 -2.0967 -2.0967 2.8341 2.8341 3.1253 3.1253 3.9356 3.9356 4.9418 4.9418 5.0876 5.0876 5.3746 5.3746 6.1543 6.1543 6.5656 6.5656 7.5232 7.5232 9.3522 9.3522 9.9643 9.9643 10.8228 10.8228 11.9526 11.9526 12.2919 12.2919 k = 0.2588-0.5780-1.0645 ( 5225 PWs) bands (ev): -16.4845 -16.4845 -16.4836 -16.4836 -16.4810 -16.4810 -16.4806 -16.4806 -13.5224 -13.5224 -13.5196 -13.5196 -13.5108 -13.5108 -13.5086 -13.5086 -13.4935 -13.4935 -13.4917 -13.4917 -4.4929 -4.4929 -4.1929 -4.1929 -3.5667 -3.5667 -2.5312 -2.5312 -2.1740 -2.1740 2.8102 2.8102 3.0948 3.0948 3.8788 3.8788 4.9023 4.9023 5.0943 5.0943 5.3955 5.3955 6.1002 6.1002 6.5269 6.5269 7.5166 7.5166 9.3665 9.3665 10.0076 10.0076 10.8640 10.8640 11.9725 11.9725 12.3110 12.3110 k = 0.2655-0.5928-1.0918 ( 5223 PWs) bands (ev): -16.4844 -16.4844 -16.4835 -16.4835 -16.4810 -16.4810 -16.4807 -16.4807 -13.5223 -13.5223 -13.5195 -13.5195 -13.5111 -13.5111 -13.5086 -13.5086 -13.4934 -13.4934 -13.4916 -13.4916 -4.4354 -4.4354 -4.1682 -4.1682 -3.5355 -3.5355 -2.5603 -2.5603 -2.2496 -2.2496 2.7914 2.7914 3.0702 3.0702 3.8207 3.8207 4.8575 4.8575 5.1009 5.1009 5.4213 5.4213 6.0507 6.0507 6.4988 6.4988 7.5093 7.5093 9.3767 9.3767 10.0470 10.0470 10.8967 10.8967 11.9874 11.9874 12.3403 12.3403 k = 0.2721-0.6076-1.1190 ( 5222 PWs) bands (ev): -16.4843 -16.4843 -16.4833 -16.4833 -16.4811 -16.4811 -16.4807 -16.4807 -13.5221 -13.5221 -13.5193 -13.5193 -13.5114 -13.5114 -13.5086 -13.5086 -13.4933 -13.4933 -13.4916 -13.4916 -4.3811 -4.3811 -4.1463 -4.1463 -3.5026 -3.5026 -2.5878 -2.5878 -2.3232 -2.3232 2.7778 2.7778 3.0516 3.0516 3.7619 3.7619 4.8100 4.8100 5.1047 5.1047 5.4487 5.4487 6.0075 6.0075 6.4826 6.4826 7.5011 7.5011 9.3829 9.3829 10.0818 10.0818 10.9187 10.9187 12.0016 12.0016 12.3766 12.3766 k = 0.2788-0.6224-1.1463 ( 5216 PWs) bands (ev): -16.4842 -16.4842 -16.4832 -16.4832 -16.4811 -16.4811 -16.4807 -16.4807 -13.5219 -13.5219 -13.5191 -13.5191 -13.5117 -13.5117 -13.5087 -13.5087 -13.4932 -13.4932 -13.4916 -13.4916 -4.3307 -4.3307 -4.1275 -4.1275 -3.4678 -3.4678 -2.6135 -2.6135 -2.3944 -2.3944 2.7693 2.7693 3.0391 3.0391 3.7027 3.7027 4.7613 4.7613 5.1039 5.1039 5.4743 5.4743 5.9731 5.9731 6.4789 6.4789 7.4924 7.4924 9.3852 9.3852 10.1113 10.1113 10.9284 10.9284 12.0189 12.0189 12.4162 12.4162 k = 0.2854-0.6372-1.1736 ( 5220 PWs) bands (ev): -16.4841 -16.4841 -16.4831 -16.4831 -16.4812 -16.4812 -16.4808 -16.4808 -13.5217 -13.5217 -13.5189 -13.5189 -13.5120 -13.5120 -13.5087 -13.5087 -13.4931 -13.4931 -13.4916 -13.4916 -4.2847 -4.2847 -4.1119 -4.1119 -3.4310 -3.4310 -2.6372 -2.6372 -2.4628 -2.4628 2.7660 2.7660 3.0327 3.0327 3.6436 3.6436 4.7126 4.7126 5.0972 5.0972 5.4938 5.4938 5.9518 5.9518 6.4878 6.4878 7.4830 7.4830 9.3835 9.3835 10.1346 10.1346 10.9248 10.9248 12.0422 12.0422 12.4542 12.4542 k = 0.2920-0.6521-1.2009 ( 5228 PWs) bands (ev): -16.4841 -16.4841 -16.4830 -16.4830 -16.4812 -16.4812 -16.4808 -16.4808 -13.5215 -13.5215 -13.5187 -13.5187 -13.5123 -13.5123 -13.5088 -13.5088 -13.4930 -13.4930 -13.4916 -13.4916 -4.2436 -4.2436 -4.0996 -4.0996 -3.3922 -3.3922 -2.6589 -2.6589 -2.5280 -2.5280 2.7676 2.7676 3.0322 3.0322 3.5851 3.5851 4.6644 4.6644 5.0844 5.0844 5.5023 5.5023 5.9484 5.9484 6.5088 6.5088 7.4732 7.4732 9.3781 9.3781 10.1511 10.1511 10.9078 10.9078 12.0730 12.0730 12.4850 12.4850 k = 0.2987-0.6669-1.2282 ( 5224 PWs) bands (ev): -16.4840 -16.4840 -16.4829 -16.4829 -16.4813 -16.4813 -16.4808 -16.4808 -13.5213 -13.5213 -13.5185 -13.5185 -13.5126 -13.5126 -13.5088 -13.5088 -13.4930 -13.4930 -13.4917 -13.4917 -4.2077 -4.2077 -4.0906 -4.0906 -3.3521 -3.3521 -2.6784 -2.6784 -2.5890 -2.5890 2.7743 2.7743 3.0376 3.0376 3.5277 3.5277 4.6174 4.6174 5.0658 5.0658 5.4968 5.4968 5.9659 5.9659 6.5407 6.5407 7.4631 7.4631 9.3689 9.3689 10.1602 10.1602 10.8784 10.8784 12.1109 12.1109 12.5048 12.5048 k = 0.3053-0.6817-1.2555 ( 5220 PWs) bands (ev): -16.4839 -16.4839 -16.4828 -16.4828 -16.4814 -16.4814 -16.4809 -16.4809 -13.5211 -13.5211 -13.5182 -13.5182 -13.5129 -13.5129 -13.5089 -13.5089 -13.4929 -13.4929 -13.4917 -13.4917 -4.1772 -4.1772 -4.0848 -4.0848 -3.3117 -3.3117 -2.6960 -2.6960 -2.6445 -2.6445 2.7859 2.7859 3.0484 3.0484 3.4718 3.4718 4.5719 4.5719 5.0422 5.0422 5.4781 5.4781 6.0033 6.0033 6.5821 6.5821 7.4529 7.4529 9.3560 9.3560 10.1614 10.1614 10.8381 10.8381 12.1549 12.1549 12.5146 12.5146 k = 0.3119-0.6965-1.2828 ( 5214 PWs) bands (ev): -16.4839 -16.4839 -16.4827 -16.4827 -16.4814 -16.4814 -16.4809 -16.4809 -13.5210 -13.5210 -13.5180 -13.5180 -13.5133 -13.5133 -13.5089 -13.5089 -13.4929 -13.4929 -13.4918 -13.4918 -4.1522 -4.1522 -4.0821 -4.0821 -3.2729 -3.2729 -2.7121 -2.7121 -2.6922 -2.6922 2.8022 2.8022 3.0640 3.0640 3.4183 3.4183 4.5282 4.5282 5.0145 5.0145 5.4498 5.4498 6.0568 6.0568 6.6315 6.6315 7.4427 7.4427 9.3395 9.3395 10.1540 10.1540 10.7890 10.7890 12.2028 12.2028 12.5185 12.5185 k = 0.3186-0.7113-1.3101 ( 5222 PWs) bands (ev): -16.4839 -16.4839 -16.4826 -16.4826 -16.4815 -16.4815 -16.4809 -16.4809 -13.5209 -13.5209 -13.5177 -13.5177 -13.5135 -13.5135 -13.5090 -13.5090 -13.4928 -13.4928 -13.4918 -13.4918 -4.1327 -4.1327 -4.0820 -4.0820 -3.2390 -3.2390 -2.7342 -2.7342 -2.7218 -2.7218 2.8229 2.8229 3.0834 3.0834 3.3685 3.3685 4.4866 4.4866 4.9840 4.9840 5.4158 5.4158 6.1224 6.1224 6.6873 6.6873 7.4329 7.4329 9.3194 9.3194 10.1379 10.1379 10.7331 10.7331 12.2521 12.2521 12.5201 12.5201 k = 0.3252-0.7262-1.3374 ( 5230 PWs) bands (ev): -16.4838 -16.4838 -16.4826 -16.4826 -16.4815 -16.4815 -16.4809 -16.4809 -13.5208 -13.5208 -13.5176 -13.5176 -13.5137 -13.5137 -13.5090 -13.5090 -13.4928 -13.4928 -13.4919 -13.4919 -4.1191 -4.1191 -4.0837 -4.0837 -3.2143 -3.2143 -2.7572 -2.7572 -2.7346 -2.7346 2.8473 2.8473 3.1047 3.1047 3.3246 3.3246 4.4471 4.4471 4.9516 4.9516 5.3792 5.3792 6.1965 6.1965 6.7481 6.7481 7.4237 7.4237 9.2957 9.2957 10.1126 10.1126 10.6727 10.6727 12.2993 12.2993 12.5223 12.5223 k = 0.3318-0.7410-1.3647 ( 5232 PWs) bands (ev): -16.4838 -16.4838 -16.4826 -16.4826 -16.4816 -16.4816 -16.4810 -16.4810 -13.5207 -13.5207 -13.5175 -13.5175 -13.5138 -13.5138 -13.5090 -13.5090 -13.4928 -13.4928 -13.4919 -13.4919 -4.1127 -4.1127 -4.0852 -4.0852 -3.2033 -3.2033 -2.7634 -2.7634 -2.7442 -2.7442 2.8740 2.8740 3.1240 3.1240 3.2916 3.2916 4.4100 4.4100 4.9184 4.9184 5.3421 5.3421 6.2766 6.2766 6.8124 6.8124 7.4155 7.4155 9.2684 9.2684 10.0782 10.0782 10.6097 10.6097 12.3398 12.3398 12.5282 12.5282 k = 0.3385-0.7558-1.3920 ( 5224 PWs) bands (ev): -16.4838 -16.4838 -16.4826 -16.4826 -16.4816 -16.4816 -16.4810 -16.4810 -13.5207 -13.5207 -13.5175 -13.5175 -13.5138 -13.5138 -13.5090 -13.5090 -13.4928 -13.4928 -13.4919 -13.4919 -4.1147 -4.1147 -4.0845 -4.0845 -3.2080 -3.2080 -2.7564 -2.7564 -2.7459 -2.7459 2.9002 2.9002 3.1353 3.1353 3.2778 3.2778 4.3753 4.3753 4.8853 4.8853 5.3060 5.3060 6.3607 6.3607 6.8790 6.8790 7.4088 7.4088 9.2374 9.2374 10.0347 10.0347 10.5459 10.5459 12.3676 12.3676 12.5414 12.5414 k = 0.6615-0.6490-1.3284 ( 5224 PWs) bands (ev): -16.4838 -16.4838 -16.4826 -16.4826 -16.4816 -16.4816 -16.4810 -16.4810 -13.5207 -13.5207 -13.5175 -13.5175 -13.5138 -13.5138 -13.5090 -13.5090 -13.4928 -13.4928 -13.4919 -13.4919 -4.1147 -4.1147 -4.0845 -4.0845 -3.2080 -3.2080 -2.7564 -2.7564 -2.7459 -2.7459 2.9002 2.9002 3.1353 3.1353 3.2778 3.2778 4.3753 4.3753 4.8853 4.8853 5.3060 5.3060 6.3607 6.3607 6.8790 6.8790 7.4088 7.4088 9.2374 9.2374 10.0347 10.0347 10.5459 10.5459 12.3676 12.3676 12.5414 12.5414 k = 0.6551-0.6187-1.3284 ( 5218 PWs) bands (ev): -16.4839 -16.4839 -16.4826 -16.4826 -16.4815 -16.4815 -16.4809 -16.4809 -13.5208 -13.5208 -13.5177 -13.5177 -13.5136 -13.5136 -13.5090 -13.5090 -13.4928 -13.4928 -13.4919 -13.4919 -4.1227 -4.1227 -4.0831 -4.0831 -3.2259 -3.2259 -2.7612 -2.7612 -2.7179 -2.7179 2.9202 2.9202 3.1382 3.1382 3.2878 3.2878 4.3441 4.3441 4.8539 4.8539 5.2728 5.2728 6.4445 6.4445 6.9446 6.9446 7.4044 7.4044 9.2036 9.2036 9.9843 9.9843 10.4845 10.4845 12.3788 12.3788 12.5630 12.5630 k = 0.6486-0.5885-1.3284 ( 5216 PWs) bands (ev): -16.4839 -16.4839 -16.4827 -16.4827 -16.4815 -16.4815 -16.4809 -16.4809 -13.5209 -13.5209 -13.5179 -13.5179 -13.5133 -13.5133 -13.5089 -13.5089 -13.4929 -13.4929 -13.4918 -13.4918 -4.1340 -4.1340 -4.0830 -4.0830 -3.2530 -3.2530 -2.7669 -2.7669 -2.6759 -2.6759 2.9272 2.9272 3.1459 3.1459 3.3150 3.3150 4.3153 4.3153 4.8241 4.8241 5.2423 5.2423 6.5286 6.5286 7.0099 7.0099 7.4029 7.4029 9.1662 9.1662 9.9269 9.9269 10.4249 10.4249 12.3753 12.3753 12.5897 12.5897 k = 0.6421-0.5583-1.3284 ( 5214 PWs) bands (ev): -16.4839 -16.4839 -16.4828 -16.4828 -16.4814 -16.4814 -16.4809 -16.4809 -13.5211 -13.5211 -13.5182 -13.5182 -13.5130 -13.5130 -13.5089 -13.5089 -13.4929 -13.4929 -13.4917 -13.4917 -4.1474 -4.1474 -4.0846 -4.0846 -3.2857 -3.2857 -2.7719 -2.7719 -2.6256 -2.6256 2.9171 2.9171 3.1696 3.1696 3.3514 3.3514 4.2892 4.2892 4.7967 4.7967 5.2152 5.2152 6.6108 6.6108 7.0735 7.0735 7.4052 7.4052 9.1251 9.1251 9.8640 9.8640 10.3678 10.3678 12.3602 12.3602 12.6154 12.6154 k = 0.6357-0.5280-1.3284 ( 5214 PWs) bands (ev): -16.4840 -16.4840 -16.4829 -16.4829 -16.4813 -16.4813 -16.4808 -16.4808 -13.5213 -13.5213 -13.5186 -13.5186 -13.5126 -13.5126 -13.5088 -13.5088 -13.4929 -13.4929 -13.4915 -13.4915 -4.1622 -4.1622 -4.0879 -4.0879 -3.3213 -3.3213 -2.7764 -2.7764 -2.5704 -2.5704 2.8937 2.8937 3.2090 3.2090 3.3925 3.3925 4.2656 4.2656 4.7724 4.7724 5.1919 5.1919 6.6889 6.6889 7.1343 7.1343 7.4127 7.4127 9.0802 9.0802 9.7978 9.7978 10.3134 10.3134 12.3363 12.3363 12.6345 12.6345 k = 0.6292-0.4978-1.3284 ( 5212 PWs) bands (ev): -16.4841 -16.4841 -16.4830 -16.4830 -16.4812 -16.4812 -16.4808 -16.4808 -13.5215 -13.5215 -13.5190 -13.5190 -13.5122 -13.5122 -13.5087 -13.5087 -13.4930 -13.4930 -13.4914 -13.4914 -4.1782 -4.1782 -4.0929 -4.0929 -3.3580 -3.3580 -2.7803 -2.7803 -2.5123 -2.5123 2.8630 2.8630 3.2591 3.2591 3.4362 3.4362 4.2448 4.2448 4.7518 4.7518 5.1731 5.1731 6.7605 6.7605 7.1909 7.1909 7.4267 7.4267 9.0317 9.0317 9.7306 9.7306 10.2621 10.2621 12.3047 12.3047 12.6407 12.6407 k = 0.6228-0.4676-1.3284 ( 5224 PWs) bands (ev): -16.4841 -16.4841 -16.4831 -16.4831 -16.4811 -16.4811 -16.4807 -16.4807 -13.5218 -13.5218 -13.5194 -13.5194 -13.5118 -13.5118 -13.5087 -13.5087 -13.4930 -13.4930 -13.4912 -13.4912 -4.1948 -4.1948 -4.0991 -4.0991 -3.3948 -3.3948 -2.7839 -2.7839 -2.4528 -2.4528 2.8291 2.8291 3.3158 3.3158 3.4811 3.4811 4.2267 4.2267 4.7357 4.7357 5.1594 5.1594 6.8226 6.8226 7.2421 7.2421 7.4481 7.4481 8.9801 8.9801 9.6650 9.6650 10.2140 10.2140 12.2664 12.2664 12.6258 12.6258 k = 0.6163-0.4373-1.3284 ( 5220 PWs) bands (ev): -16.4842 -16.4842 -16.4832 -16.4832 -16.4810 -16.4810 -16.4807 -16.4807 -13.5221 -13.5221 -13.5198 -13.5198 -13.5114 -13.5114 -13.5086 -13.5086 -13.4931 -13.4931 -13.4910 -13.4910 -4.2118 -4.2118 -4.1065 -4.1065 -3.4309 -3.4309 -2.7872 -2.7872 -2.3929 -2.3929 2.7942 2.7942 3.3760 3.3760 3.5267 3.5267 4.2117 4.2117 4.7247 4.7247 5.1513 5.1513 6.8733 6.8733 7.2867 7.2867 7.4769 7.4769 8.9261 8.9261 9.6037 9.6037 10.1691 10.1691 12.2218 12.2218 12.5790 12.5790 k = 0.6098-0.4071-1.3284 ( 5220 PWs) bands (ev): -16.4843 -16.4843 -16.4834 -16.4834 -16.4810 -16.4810 -16.4806 -16.4806 -13.5225 -13.5225 -13.5202 -13.5202 -13.5110 -13.5110 -13.5084 -13.5084 -13.4931 -13.4931 -13.4907 -13.4907 -4.2291 -4.2291 -4.1147 -4.1147 -3.4660 -3.4660 -2.7903 -2.7903 -2.3336 -2.3336 2.7595 2.7595 3.4368 3.4368 3.5728 3.5728 4.2001 4.2001 4.7194 4.7194 5.1494 5.1494 6.9115 6.9115 7.3233 7.3233 7.5111 7.5111 8.8716 8.8716 9.5492 9.5492 10.1277 10.1277 12.1716 12.1716 12.4963 12.4963 k = 0.6034-0.3769-1.3284 ( 5210 PWs) bands (ev): -16.4844 -16.4844 -16.4835 -16.4835 -16.4809 -16.4809 -16.4805 -16.4805 -13.5229 -13.5229 -13.5206 -13.5206 -13.5107 -13.5107 -13.5083 -13.5083 -13.4931 -13.4931 -13.4905 -13.4905 -4.2463 -4.2463 -4.1236 -4.1236 -3.4996 -3.4996 -2.7932 -2.7932 -2.2753 -2.2753 2.7257 2.7257 3.4948 3.4948 3.6200 3.6200 4.1926 4.1926 4.7200 4.7200 5.1544 5.1544 6.9377 6.9377 7.3503 7.3503 7.5469 7.5469 8.8193 8.8193 9.5038 9.5038 10.0900 10.0900 12.1163 12.1163 12.3878 12.3878 k = 0.5969-0.3466-1.3284 ( 5204 PWs) bands (ev): -16.4845 -16.4845 -16.4836 -16.4836 -16.4808 -16.4808 -16.4804 -16.4804 -13.5232 -13.5232 -13.5210 -13.5210 -13.5103 -13.5103 -13.5081 -13.5081 -13.4931 -13.4931 -13.4902 -13.4902 -4.2633 -4.2633 -4.1329 -4.1329 -3.5316 -3.5316 -2.7961 -2.7961 -2.2186 -2.2186 2.6931 2.6931 3.5466 3.5466 3.6689 3.6689 4.1904 4.1904 4.7269 4.7269 5.1671 5.1671 6.9533 6.9533 7.3660 7.3660 7.5789 7.5789 8.7730 8.7730 9.4694 9.4694 10.0562 10.0562 12.0563 12.0563 12.2672 12.2672 k = 0.5904-0.3164-1.3284 ( 5200 PWs) bands (ev): -16.4846 -16.4846 -16.4838 -16.4838 -16.4807 -16.4807 -16.4803 -16.4803 -13.5236 -13.5236 -13.5214 -13.5214 -13.5101 -13.5101 -13.5080 -13.5080 -13.4931 -13.4931 -13.4900 -13.4900 -4.2798 -4.2798 -4.1425 -4.1425 -3.5618 -3.5618 -2.7989 -2.7989 -2.1639 -2.1639 2.6620 2.6620 3.5900 3.5900 3.7185 3.7185 4.1953 4.1953 4.7399 4.7399 5.1880 5.1880 6.9603 6.9603 7.3690 7.3690 7.6005 7.6005 8.7376 8.7376 9.4474 9.4474 10.0266 10.0266 11.9921 11.9921 12.1437 12.1437 k = 0.5840-0.2862-1.3284 ( 5202 PWs) bands (ev): -16.4847 -16.4847 -16.4839 -16.4839 -16.4806 -16.4806 -16.4803 -16.4803 -13.5240 -13.5240 -13.5218 -13.5218 -13.5098 -13.5098 -13.5078 -13.5078 -13.4930 -13.4930 -13.4897 -13.4897 -4.2958 -4.2958 -4.1521 -4.1521 -3.5901 -3.5901 -2.8016 -2.8016 -2.1116 -2.1116 2.6327 2.6327 3.6248 3.6248 3.7652 3.7652 4.2094 4.2094 4.7592 4.7592 5.2177 5.2177 6.9600 6.9600 7.3584 7.3584 7.6059 7.6059 8.7172 8.7172 9.4389 9.4389 10.0013 10.0013 11.9241 11.9241 12.0222 12.0222 k = 0.5775-0.2559-1.3284 ( 5204 PWs) bands (ev): -16.4848 -16.4848 -16.4840 -16.4840 -16.4805 -16.4805 -16.4802 -16.4802 -13.5244 -13.5244 -13.5221 -13.5221 -13.5096 -13.5096 -13.5076 -13.5076 -13.4930 -13.4930 -13.4895 -13.4895 -4.3111 -4.3111 -4.1617 -4.1617 -3.6164 -3.6164 -2.8042 -2.8042 -2.0620 -2.0620 2.6052 2.6052 3.6524 3.6524 3.8044 3.8044 4.2348 4.2348 4.7846 4.7846 5.2565 5.2565 6.9535 6.9535 7.3339 7.3339 7.5915 7.5915 8.7143 8.7143 9.4446 9.4446 9.9806 9.9806 11.8526 11.8526 11.9053 11.9053 k = 0.5711-0.2257-1.3284 ( 5206 PWs) bands (ev): -16.4849 -16.4849 -16.4841 -16.4841 -16.4805 -16.4805 -16.4801 -16.4801 -13.5248 -13.5248 -13.5225 -13.5225 -13.5095 -13.5095 -13.5074 -13.5074 -13.4929 -13.4929 -13.4892 -13.4892 -4.3256 -4.3256 -4.1710 -4.1710 -3.6407 -3.6407 -2.8068 -2.8068 -2.0155 -2.0155 2.5797 2.5797 3.6743 3.6743 3.8331 3.8331 4.2718 4.2718 4.8166 4.8166 5.3044 5.3044 6.9410 6.9410 7.2957 7.2957 7.5577 7.5577 8.7278 8.7278 9.4646 9.4646 9.9648 9.9648 11.7769 11.7769 11.7951 11.7951 k = 0.5646-0.1955-1.3284 ( 5206 PWs) bands (ev): -16.4849 -16.4849 -16.4842 -16.4842 -16.4804 -16.4804 -16.4801 -16.4801 -13.5251 -13.5251 -13.5228 -13.5228 -13.5094 -13.5094 -13.5072 -13.5072 -13.4929 -13.4929 -13.4889 -13.4889 -4.3392 -4.3392 -4.1800 -4.1800 -3.6630 -3.6630 -2.8093 -2.8093 -1.9722 -1.9722 2.5562 2.5562 3.6918 3.6918 3.8510 3.8510 4.3179 4.3179 4.8556 4.8556 5.3612 5.3612 6.9220 6.9220 7.2447 7.2447 7.5085 7.5085 8.7539 8.7539 9.4987 9.4987 9.9540 9.9540 11.6862 11.6862 11.7036 11.7036 k = 0.5581-0.1652-1.3284 ( 5210 PWs) bands (ev): -16.4850 -16.4850 -16.4843 -16.4843 -16.4804 -16.4804 -16.4800 -16.4800 -13.5255 -13.5255 -13.5231 -13.5231 -13.5093 -13.5093 -13.5070 -13.5070 -13.4928 -13.4928 -13.4887 -13.4887 -4.3517 -4.3517 -4.1885 -4.1885 -3.6832 -3.6832 -2.8116 -2.8116 -1.9323 -1.9323 2.5348 2.5348 3.7058 3.7058 3.8600 3.8600 4.3685 4.3685 4.9026 4.9026 5.4261 5.4261 6.8953 6.8953 7.1819 7.1819 7.4500 7.4500 8.7873 8.7873 9.5461 9.5461 9.9488 9.9488 11.5876 11.5876 11.6240 11.6240 k = 0.5517-0.1350-1.3284 ( 5200 PWs) bands (ev): -16.4851 -16.4851 -16.4844 -16.4844 -16.4803 -16.4803 -16.4799 -16.4799 -13.5258 -13.5258 -13.5234 -13.5234 -13.5092 -13.5092 -13.5068 -13.5068 -13.4928 -13.4928 -13.4885 -13.4885 -4.3631 -4.3631 -4.1963 -4.1963 -3.7013 -3.7013 -2.8138 -2.8138 -1.8962 -1.8962 2.5155 2.5155 3.7170 3.7170 3.8627 3.8627 4.4189 4.4189 4.9583 4.9583 5.4985 5.4985 6.8590 6.8590 7.1091 7.1091 7.3892 7.3892 8.8230 8.8230 9.6046 9.6046 9.9503 9.9503 11.4921 11.4921 11.5457 11.5457 k = 0.5452-0.1048-1.3284 ( 5198 PWs) bands (ev): -16.4852 -16.4852 -16.4845 -16.4845 -16.4802 -16.4802 -16.4799 -16.4799 -13.5261 -13.5261 -13.5236 -13.5236 -13.5092 -13.5092 -13.5066 -13.5066 -13.4927 -13.4927 -13.4883 -13.4883 -4.3733 -4.3733 -4.2035 -4.2035 -3.7172 -3.7172 -2.8158 -2.8158 -1.8639 -1.8639 2.4984 2.4984 3.7262 3.7262 3.8614 3.8614 4.4653 4.4653 5.0229 5.0229 5.5773 5.5773 6.8109 6.8109 7.0286 7.0286 7.3320 7.3320 8.8572 8.8572 9.6700 9.6700 9.9612 9.9612 11.3969 11.3969 11.4717 11.4717 k = 0.5388-0.0745-1.3284 ( 5202 PWs) bands (ev): -16.4852 -16.4852 -16.4846 -16.4846 -16.4802 -16.4802 -16.4798 -16.4798 -13.5263 -13.5263 -13.5238 -13.5238 -13.5091 -13.5091 -13.5065 -13.5065 -13.4926 -13.4926 -13.4881 -13.4881 -4.3823 -4.3823 -4.2099 -4.2099 -3.7311 -3.7311 -2.8176 -2.8176 -1.8356 -1.8356 2.4836 2.4836 3.7336 3.7336 3.8577 3.8577 4.5053 4.5053 5.0951 5.0951 5.6615 5.6615 6.7500 6.7500 6.9431 6.9431 7.2828 7.2828 8.8877 8.8877 9.7343 9.7343 9.9868 9.9868 11.2987 11.2987 11.4055 11.4055 k = 0.5323-0.0443-1.3284 ( 5204 PWs) bands (ev): -16.4853 -16.4853 -16.4846 -16.4846 -16.4802 -16.4802 -16.4798 -16.4798 -13.5265 -13.5265 -13.5240 -13.5240 -13.5091 -13.5091 -13.5064 -13.5064 -13.4926 -13.4926 -13.4879 -13.4879 -4.3900 -4.3900 -4.2155 -4.2155 -3.7428 -3.7428 -2.8192 -2.8192 -1.8115 -1.8115 2.4710 2.4710 3.7398 3.7398 3.8528 3.8528 4.5383 4.5383 5.1725 5.1725 5.7498 5.7498 6.6771 6.6771 6.8556 6.8556 7.2436 7.2436 8.9134 8.9134 9.7865 9.7865 10.0353 10.0353 11.1960 11.1960 11.3492 11.3492 k = 0.5258-0.0141-1.3284 ( 5206 PWs) bands (ev): -16.4853 -16.4853 -16.4847 -16.4847 -16.4801 -16.4801 -16.4798 -16.4798 -13.5267 -13.5267 -13.5242 -13.5242 -13.5091 -13.5091 -13.5063 -13.5063 -13.4925 -13.4925 -13.4878 -13.4878 -4.3963 -4.3963 -4.2201 -4.2201 -3.7524 -3.7524 -2.8205 -2.8205 -1.7916 -1.7916 2.4606 2.4606 3.7448 3.7448 3.8476 3.8476 4.5642 4.5642 5.2510 5.2510 5.8410 5.8410 6.5953 6.5953 6.7691 6.7691 7.2142 7.2142 8.9340 8.9340 9.8206 9.8206 10.1096 10.1096 11.0890 11.0890 11.3035 11.3035 k = 0.5194 0.0162-1.3284 ( 5210 PWs) bands (ev): -16.4853 -16.4853 -16.4847 -16.4847 -16.4801 -16.4801 -16.4797 -16.4797 -13.5269 -13.5269 -13.5243 -13.5243 -13.5090 -13.5090 -13.5062 -13.5062 -13.4925 -13.4925 -13.4877 -13.4877 -4.4013 -4.4013 -4.2237 -4.2237 -3.7599 -3.7599 -2.8216 -2.8216 -1.7760 -1.7760 2.4526 2.4526 3.7488 3.7488 3.8428 3.8428 4.5836 4.5836 5.3252 5.3252 5.9335 5.9335 6.5094 6.5094 6.6876 6.6876 7.1933 7.1933 8.9496 8.9496 9.8401 9.8401 10.2022 10.2022 10.9797 10.9797 11.2683 11.2683 k = 0.5129 0.0464-1.3284 ( 5210 PWs) bands (ev): -16.4854 -16.4854 -16.4848 -16.4848 -16.4801 -16.4801 -16.4797 -16.4797 -13.5270 -13.5270 -13.5244 -13.5244 -13.5090 -13.5090 -13.5061 -13.5061 -13.4924 -13.4924 -13.4876 -13.4876 -4.4048 -4.4048 -4.2264 -4.2264 -3.7652 -3.7652 -2.8224 -2.8224 -1.7649 -1.7649 2.4468 2.4468 3.7517 3.7517 3.8390 3.8390 4.5971 4.5971 5.3880 5.3880 6.0246 6.0246 6.4242 6.4242 6.6174 6.6174 7.1795 7.1795 8.9604 8.9604 9.8509 9.8509 10.3017 10.3017 10.8724 10.8724 11.2434 11.2434 k = 0.5065 0.0766-1.3284 ( 5226 PWs) bands (ev): -16.4854 -16.4854 -16.4848 -16.4848 -16.4801 -16.4801 -16.4797 -16.4797 -13.5270 -13.5270 -13.5244 -13.5244 -13.5090 -13.5090 -13.5061 -13.5061 -13.4924 -13.4924 -13.4875 -13.4875 -4.4070 -4.4070 -4.2280 -4.2280 -3.7684 -3.7684 -2.8228 -2.8228 -1.7581 -1.7581 2.4433 2.4433 3.7536 3.7536 3.8364 3.8364 4.6050 4.6050 5.4310 5.4310 6.1078 6.1078 6.3460 6.3460 6.5680 6.5680 7.1717 7.1717 8.9667 8.9667 9.8563 9.8563 10.3923 10.3923 10.7784 10.7784 11.2286 11.2286 k = 0.5000 0.1068-1.3284 ( 5218 PWs) bands (ev): -16.4854 -16.4854 -16.4848 -16.4848 -16.4801 -16.4801 -16.4797 -16.4797 -13.5270 -13.5270 -13.5245 -13.5245 -13.5090 -13.5090 -13.5061 -13.5061 -13.4924 -13.4924 -13.4875 -13.4875 -4.4077 -4.4077 -4.2285 -4.2285 -3.7695 -3.7695 -2.8230 -2.8230 -1.7559 -1.7559 2.4422 2.4422 3.7542 3.7542 3.8355 3.8355 4.6076 4.6076 5.4464 5.4464 6.1528 6.1528 6.3032 6.3032 6.5498 6.5498 7.1692 7.1692 8.9688 8.9688 9.8580 9.8580 10.4359 10.4359 10.7339 10.7339 11.2236 11.2236 k = 0.5000 0.1068-1.3284 ( 5218 PWs) bands (ev): -16.4854 -16.4854 -16.4848 -16.4848 -16.4801 -16.4801 -16.4797 -16.4797 -13.5270 -13.5270 -13.5245 -13.5245 -13.5090 -13.5090 -13.5061 -13.5061 -13.4924 -13.4924 -13.4875 -13.4875 -4.4077 -4.4077 -4.2285 -4.2285 -3.7695 -3.7695 -2.8230 -2.8230 -1.7559 -1.7559 2.4422 2.4422 3.7542 3.7542 3.8355 3.8355 4.6076 4.6076 5.4464 5.4464 6.1528 6.1528 6.3032 6.3032 6.5498 6.5498 7.1692 7.1692 8.9688 8.9688 9.8580 9.8580 10.4359 10.4359 10.7339 10.7339 11.2236 11.2236 k = 0.5269 0.1126-1.3178 ( 5217 PWs) bands (ev): -16.4854 -16.4854 -16.4848 -16.4848 -16.4801 -16.4801 -16.4797 -16.4797 -13.5270 -13.5270 -13.5245 -13.5245 -13.5090 -13.5090 -13.5061 -13.5061 -13.4924 -13.4924 -13.4875 -13.4875 -4.4076 -4.4076 -4.2291 -4.2291 -3.7698 -3.7698 -2.8217 -2.8217 -1.7566 -1.7566 2.4411 2.4411 3.7546 3.7546 3.8395 3.8395 4.6087 4.6087 5.4412 5.4412 6.1429 6.1429 6.3018 6.3018 6.5673 6.5673 7.1637 7.1637 8.9707 8.9707 9.8554 9.8554 10.4304 10.4304 10.7391 10.7391 11.2254 11.2254 k = 0.5538 0.1184-1.3072 ( 5213 PWs) bands (ev): -16.4854 -16.4854 -16.4848 -16.4848 -16.4801 -16.4801 -16.4797 -16.4797 -13.5270 -13.5270 -13.5244 -13.5244 -13.5090 -13.5090 -13.5061 -13.5061 -13.4924 -13.4924 -13.4875 -13.4875 -4.4071 -4.4071 -4.2310 -4.2310 -3.7708 -3.7708 -2.8177 -2.8177 -1.7586 -1.7586 2.4381 2.4381 3.7563 3.7563 3.8511 3.8511 4.6120 4.6120 5.4262 5.4262 6.1131 6.1131 6.3049 6.3049 6.6118 6.6118 7.1478 7.1478 8.9757 8.9757 9.8483 9.8483 10.4142 10.4142 10.7541 10.7541 11.2309 11.2309 k = 0.5808 0.1241-1.2966 ( 5212 PWs) bands (ev): -16.4854 -16.4854 -16.4848 -16.4848 -16.4801 -16.4801 -16.4797 -16.4797 -13.5270 -13.5270 -13.5244 -13.5244 -13.5090 -13.5090 -13.5061 -13.5061 -13.4924 -13.4924 -13.4875 -13.4875 -4.4064 -4.4064 -4.2342 -4.2342 -3.7722 -3.7722 -2.8113 -2.8113 -1.7619 -1.7619 2.4332 2.4332 3.7599 3.7599 3.8692 3.8692 4.6175 4.6175 5.4026 5.4026 6.0673 6.0673 6.3189 6.3189 6.6710 6.6710 7.1232 7.1232 8.9815 8.9815 9.8394 9.8394 10.3886 10.3886 10.7772 10.7772 11.2403 11.2403 k = 0.6077 0.1299-1.2860 ( 5207 PWs) bands (ev): -16.4854 -16.4854 -16.4848 -16.4848 -16.4801 -16.4801 -16.4797 -16.4797 -13.5270 -13.5270 -13.5244 -13.5244 -13.5090 -13.5090 -13.5061 -13.5061 -13.4924 -13.4924 -13.4875 -13.4875 -4.4054 -4.4054 -4.2387 -4.2387 -3.7739 -3.7739 -2.8028 -2.8028 -1.7663 -1.7663 2.4266 2.4266 3.7661 3.7661 3.8928 3.8928 4.6251 4.6251 5.3723 5.3723 6.0127 6.0127 6.3414 6.3414 6.7364 6.7364 7.0929 7.0929 8.9848 8.9848 9.8324 9.8324 10.3555 10.3555 10.8061 10.8061 11.2541 11.2541 k = 0.6346 0.1356-1.2754 ( 5202 PWs) bands (ev): -16.4854 -16.4854 -16.4848 -16.4848 -16.4801 -16.4801 -16.4797 -16.4797 -13.5270 -13.5270 -13.5244 -13.5244 -13.5090 -13.5090 -13.5061 -13.5061 -13.4924 -13.4924 -13.4875 -13.4875 -4.4042 -4.4042 -4.2446 -4.2446 -3.7756 -3.7756 -2.7926 -2.7926 -1.7716 -1.7716 2.4185 2.4185 3.7750 3.7750 3.9212 3.9212 4.6348 4.6348 5.3372 5.3372 5.9543 5.9543 6.3680 6.3680 6.8017 6.8017 7.0623 7.0623 8.9822 8.9822 9.8308 9.8308 10.3172 10.3172 10.8391 10.8391 11.2719 11.2719 k = 0.6615 0.1414-1.2648 ( 5201 PWs) bands (ev): -16.4854 -16.4854 -16.4848 -16.4848 -16.4801 -16.4801 -16.4797 -16.4797 -13.5270 -13.5270 -13.5244 -13.5244 -13.5090 -13.5090 -13.5061 -13.5061 -13.4924 -13.4924 -13.4875 -13.4875 -4.4027 -4.4027 -4.2520 -4.2520 -3.7769 -3.7769 -2.7811 -2.7811 -1.7774 -1.7774 2.4093 2.4093 3.7867 3.7867 3.9535 3.9535 4.6465 4.6465 5.2991 5.2991 5.8953 5.8953 6.3939 6.3939 6.8571 6.8571 7.0425 7.0425 8.9704 8.9704 9.8365 9.8365 10.2770 10.2770 10.8745 10.8745 11.2933 11.2933 k = 0.6615 0.1414-1.2648 ( 5201 PWs) bands (ev): -16.4854 -16.4854 -16.4848 -16.4848 -16.4801 -16.4801 -16.4797 -16.4797 -13.5270 -13.5270 -13.5244 -13.5244 -13.5090 -13.5090 -13.5061 -13.5061 -13.4924 -13.4924 -13.4875 -13.4875 -4.4027 -4.4027 -4.2520 -4.2520 -3.7769 -3.7769 -2.7811 -2.7811 -1.7774 -1.7774 2.4093 2.4093 3.7867 3.7867 3.9535 3.9535 4.6465 4.6465 5.2991 5.2991 5.8953 5.8953 6.3939 6.3939 6.8571 6.8571 7.0425 7.0425 8.9704 8.9704 9.8365 9.8365 10.2770 10.2770 10.8745 10.8745 11.2933 11.2933 k = 0.6578 0.1406-1.2340 ( 5201 PWs) bands (ev): -16.4854 -16.4854 -16.4848 -16.4848 -16.4801 -16.4801 -16.4797 -16.4797 -13.5270 -13.5270 -13.5243 -13.5243 -13.5090 -13.5090 -13.5061 -13.5061 -13.4925 -13.4925 -13.4876 -13.4876 -4.4154 -4.4154 -4.2706 -4.2706 -3.7760 -3.7760 -2.7558 -2.7558 -1.7753 -1.7753 2.4302 2.4302 3.7865 3.7865 3.9408 3.9408 4.6554 4.6554 5.2918 5.2918 5.8878 5.8878 6.4153 6.4153 6.8762 6.8762 7.0814 7.0814 8.9442 8.9442 9.8019 9.8019 10.2630 10.2630 10.8834 10.8834 11.3074 11.3074 k = 0.6540 0.1398-1.2031 ( 5205 PWs) bands (ev): -16.4854 -16.4854 -16.4848 -16.4848 -16.4801 -16.4801 -16.4797 -16.4797 -13.5269 -13.5269 -13.5243 -13.5243 -13.5090 -13.5090 -13.5061 -13.5061 -13.4926 -13.4926 -13.4877 -13.4877 -4.4359 -4.4359 -4.2978 -4.2978 -3.7706 -3.7706 -2.7243 -2.7243 -1.7683 -1.7683 2.4547 2.4547 3.7835 3.7835 3.9414 3.9414 4.6675 4.6675 5.2862 5.2862 5.8816 5.8816 6.4365 6.4365 6.8945 6.8945 7.1206 7.1206 8.9193 8.9193 9.7722 9.7722 10.2508 10.2508 10.8913 10.8913 11.3246 11.3246 k = 0.6502 0.1390-1.1722 ( 5205 PWs) bands (ev): -16.4854 -16.4854 -16.4848 -16.4848 -16.4801 -16.4801 -16.4798 -16.4798 -13.5267 -13.5267 -13.5241 -13.5241 -13.5091 -13.5091 -13.5062 -13.5062 -13.4927 -13.4927 -13.4879 -13.4879 -4.4632 -4.4632 -4.3327 -4.3327 -3.7616 -3.7616 -2.6881 -2.6881 -1.7561 -1.7561 2.4824 2.4824 3.7797 3.7797 3.9535 3.9535 4.6826 4.6826 5.2821 5.2821 5.8769 5.8769 6.4575 6.4575 6.9122 6.9122 7.1585 7.1585 8.8963 8.8963 9.7477 9.7477 10.2401 10.2401 10.8981 10.8981 11.3447 11.3447 k = 0.6465 0.1382-1.1413 ( 5211 PWs) bands (ev): -16.4854 -16.4854 -16.4848 -16.4848 -16.4802 -16.4802 -16.4798 -16.4798 -13.5266 -13.5266 -13.5240 -13.5240 -13.5091 -13.5091 -13.5062 -13.5062 -13.4929 -13.4929 -13.4881 -13.4881 -4.4965 -4.4965 -4.3735 -4.3735 -3.7502 -3.7502 -2.6488 -2.6488 -1.7383 -1.7383 2.5130 2.5130 3.7779 3.7779 3.9746 3.9746 4.7008 4.7008 5.2796 5.2796 5.8738 5.8738 6.4785 6.4785 6.9294 6.9294 7.1940 7.1940 8.8759 8.8759 9.7288 9.7288 10.2305 10.2305 10.9040 10.9040 11.3677 11.3677 k = 0.6427 0.1374-1.1104 ( 5213 PWs) bands (ev): -16.4854 -16.4854 -16.4849 -16.4849 -16.4802 -16.4802 -16.4798 -16.4798 -13.5264 -13.5264 -13.5238 -13.5238 -13.5091 -13.5091 -13.5063 -13.5063 -13.4931 -13.4931 -13.4883 -13.4883 -4.5353 -4.5353 -4.4183 -4.4183 -3.7379 -3.7379 -2.6077 -2.6077 -1.7147 -1.7147 2.5462 2.5462 3.7804 3.7804 4.0027 4.0027 4.7221 4.7221 5.2787 5.2787 5.8724 5.8724 6.4995 6.4995 6.9459 6.9459 7.2260 7.2260 8.8587 8.8587 9.7156 9.7156 10.2219 10.2219 10.9087 10.9087 11.3936 11.3936 k = 0.6390 0.1365-1.0795 ( 5213 PWs) bands (ev): -16.4854 -16.4854 -16.4849 -16.4849 -16.4803 -16.4803 -16.4799 -16.4799 -13.5262 -13.5262 -13.5236 -13.5236 -13.5091 -13.5091 -13.5064 -13.5064 -13.4933 -13.4933 -13.4886 -13.4886 -4.5793 -4.5793 -4.4652 -4.4652 -3.7258 -3.7258 -2.5659 -2.5659 -1.6850 -1.6850 2.5818 2.5818 3.7883 3.7883 4.0365 4.0365 4.7464 4.7464 5.2795 5.2795 5.8728 5.8728 6.5206 6.5206 6.9614 6.9614 7.2542 7.2542 8.8451 8.8451 9.7081 9.7081 10.2141 10.2141 10.9123 10.9123 11.4224 11.4224 k = 0.6352 0.1357-1.0486 ( 5215 PWs) bands (ev): -16.4855 -16.4855 -16.4849 -16.4849 -16.4803 -16.4803 -16.4799 -16.4799 -13.5260 -13.5260 -13.5234 -13.5234 -13.5091 -13.5091 -13.5064 -13.5064 -13.4936 -13.4936 -13.4889 -13.4889 -4.6283 -4.6283 -4.5126 -4.5126 -3.7149 -3.7149 -2.5247 -2.5247 -1.6491 -1.6491 2.6198 2.6198 3.8024 3.8024 4.0754 4.0754 4.7738 4.7738 5.2818 5.2818 5.8750 5.8750 6.5418 6.5418 6.9755 6.9755 7.2786 7.2786 8.8351 8.8351 9.7064 9.7064 10.2069 10.2069 10.9146 10.9146 11.4540 11.4540 k = 0.6315 0.1349-1.0177 ( 5219 PWs) bands (ev): -16.4855 -16.4855 -16.4849 -16.4849 -16.4804 -16.4804 -16.4799 -16.4799 -13.5257 -13.5257 -13.5231 -13.5231 -13.5092 -13.5092 -13.5065 -13.5065 -13.4939 -13.4939 -13.4893 -13.4893 -4.6815 -4.6815 -4.5597 -4.5597 -3.7058 -3.7058 -2.4847 -2.4847 -1.6069 -1.6069 2.6602 2.6602 3.8227 3.8227 4.1190 4.1190 4.8042 4.8042 5.2858 5.2858 5.8790 5.8790 6.5631 6.5631 6.9875 6.9875 7.2996 7.2996 8.8283 8.8283 9.7105 9.7105 10.2002 10.2002 10.9156 10.9156 11.4884 11.4884 k = 0.6277 0.1341-0.9868 ( 5225 PWs) bands (ev): -16.4855 -16.4855 -16.4850 -16.4850 -16.4804 -16.4804 -16.4799 -16.4799 -13.5254 -13.5254 -13.5228 -13.5228 -13.5092 -13.5092 -13.5066 -13.5066 -13.4942 -13.4942 -13.4896 -13.4896 -4.7379 -4.7379 -4.6064 -4.6064 -3.6988 -3.6988 -2.4467 -2.4467 -1.5587 -1.5587 2.7030 2.7030 3.8491 3.8491 4.1671 4.1671 4.8376 4.8376 5.2916 5.2916 5.8847 5.8847 6.5844 6.5844 6.9966 6.9966 7.3182 7.3182 8.8241 8.8241 9.7203 9.7203 10.1940 10.1940 10.9154 10.9154 11.5255 11.5255 k = 0.6240 0.1333-0.9559 ( 5221 PWs) bands (ev): -16.4856 -16.4856 -16.4850 -16.4850 -16.4805 -16.4805 -16.4800 -16.4800 -13.5251 -13.5251 -13.5225 -13.5225 -13.5092 -13.5092 -13.5067 -13.5067 -13.4945 -13.4945 -13.4900 -13.4900 -4.7967 -4.7967 -4.6525 -4.6525 -3.6942 -3.6942 -2.4111 -2.4111 -1.5047 -1.5047 2.7484 2.7484 3.8813 3.8813 4.2196 4.2196 4.8739 4.8739 5.2992 5.2992 5.8922 5.8922 6.6056 6.6056 7.0023 7.0023 7.3356 7.3356 8.8215 8.8215 9.7353 9.7353 10.1879 10.1879 10.9139 10.9139 11.5650 11.5650 k = 0.6202 0.1325-0.9250 ( 5231 PWs) bands (ev): -16.4856 -16.4856 -16.4851 -16.4851 -16.4805 -16.4805 -16.4800 -16.4800 -13.5248 -13.5248 -13.5222 -13.5222 -13.5092 -13.5092 -13.5068 -13.5068 -13.4949 -13.4949 -13.4904 -13.4904 -4.8569 -4.8569 -4.6982 -4.6982 -3.6920 -3.6920 -2.3781 -2.3781 -1.4454 -1.4454 2.7967 2.7967 3.9187 3.9187 4.2764 4.2764 4.9130 4.9130 5.3088 5.3088 5.9015 5.9015 6.6264 6.6264 7.0040 7.0040 7.3533 7.3533 8.8197 8.8197 9.7551 9.7551 10.1819 10.1819 10.9114 10.9114 11.6068 11.6068 k = 0.6164 0.1317-0.8941 ( 5228 PWs) bands (ev): -16.4856 -16.4856 -16.4851 -16.4851 -16.4806 -16.4806 -16.4800 -16.4800 -13.5245 -13.5245 -13.5219 -13.5219 -13.5093 -13.5093 -13.5070 -13.5070 -13.4952 -13.4952 -13.4909 -13.4909 -4.9177 -4.9177 -4.7435 -4.7435 -3.6923 -3.6923 -2.3479 -2.3479 -1.3813 -1.3813 2.8482 2.8482 3.9607 3.9607 4.3373 4.3373 4.9548 4.9548 5.3207 5.3207 5.9124 5.9124 6.6466 6.6466 7.0018 7.0018 7.3723 7.3723 8.8175 8.8175 9.7788 9.7788 10.1758 10.1758 10.9081 10.9081 11.6505 11.6505 k = 0.6127 0.1309-0.8632 ( 5229 PWs) bands (ev): -16.4857 -16.4857 -16.4852 -16.4852 -16.4807 -16.4807 -16.4800 -16.4800 -13.5242 -13.5242 -13.5215 -13.5215 -13.5093 -13.5093 -13.5071 -13.5071 -13.4956 -13.4956 -13.4913 -13.4913 -4.9786 -4.9786 -4.7885 -4.7885 -3.6949 -3.6949 -2.3205 -2.3205 -1.3131 -1.3131 2.9031 2.9031 4.0066 4.0066 4.4022 4.4022 4.9990 4.9990 5.3351 5.3351 5.9250 5.9250 6.6657 6.6657 6.9962 6.9962 7.3935 7.3935 8.8139 8.8139 9.8051 9.8051 10.1695 10.1695 10.9045 10.9045 11.6956 11.6956 k = 0.6089 0.1301-0.8323 ( 5235 PWs) bands (ev): -16.4858 -16.4858 -16.4853 -16.4853 -16.4808 -16.4808 -16.4801 -16.4801 -13.5239 -13.5239 -13.5212 -13.5212 -13.5093 -13.5093 -13.5072 -13.5072 -13.4960 -13.4960 -13.4918 -13.4918 -5.0391 -5.0391 -4.8330 -4.8330 -3.6997 -3.6997 -2.2957 -2.2957 -1.2415 -1.2415 2.9619 2.9619 4.0558 4.0558 4.4708 4.4708 5.0453 5.0453 5.3526 5.3526 5.9392 5.9392 6.6831 6.6831 6.9883 6.9883 7.4172 7.4172 8.8083 8.8083 9.8325 9.8325 10.1627 10.1627 10.9012 10.9012 11.7411 11.7411 k = 0.6052 0.1293-0.8014 ( 5239 PWs) bands (ev): -16.4858 -16.4858 -16.4853 -16.4853 -16.4808 -16.4808 -16.4801 -16.4801 -13.5235 -13.5235 -13.5208 -13.5208 -13.5093 -13.5093 -13.5073 -13.5073 -13.4964 -13.4964 -13.4922 -13.4922 -5.0990 -5.0990 -4.8771 -4.8771 -3.7064 -3.7064 -2.2736 -2.2736 -1.1670 -1.1670 3.0247 3.0247 4.1076 4.1076 4.5426 4.5426 5.0932 5.0932 5.3739 5.3739 5.9550 5.9550 6.6979 6.6979 6.9798 6.9798 7.4435 7.4435 8.7999 8.7999 9.8592 9.8592 10.1551 10.1551 10.8988 10.8988 11.7861 11.7861 k = 0.6014 0.1285-0.7706 ( 5241 PWs) bands (ev): -16.4859 -16.4859 -16.4854 -16.4854 -16.4809 -16.4809 -16.4801 -16.4801 -13.5232 -13.5232 -13.5205 -13.5205 -13.5093 -13.5093 -13.5075 -13.5075 -13.4968 -13.4968 -13.4927 -13.4927 -5.1578 -5.1578 -4.9206 -4.9206 -3.7150 -3.7150 -2.2539 -2.2539 -1.0905 -1.0905 3.0919 3.0919 4.1615 4.1615 4.6171 4.6171 5.1417 5.1417 5.4001 5.4001 5.9723 5.9723 6.7091 6.7091 6.9728 6.9728 7.4722 7.4722 8.7885 8.7885 9.8831 9.8831 10.1463 10.1463 10.8983 10.8983 11.8284 11.8284 k = 0.5977 0.1277-0.7397 ( 5239 PWs) bands (ev): -16.4860 -16.4860 -16.4855 -16.4855 -16.4809 -16.4809 -16.4801 -16.4801 -13.5229 -13.5229 -13.5201 -13.5201 -13.5093 -13.5093 -13.5076 -13.5076 -13.4972 -13.4972 -13.4932 -13.4932 -5.2155 -5.2155 -4.9634 -4.9634 -3.7252 -3.7252 -2.2365 -2.2365 -1.0123 -1.0123 3.1638 3.1638 4.2168 4.2168 4.6936 4.6936 5.1898 5.1898 5.4324 5.4324 5.9912 5.9912 6.7159 6.7159 6.9691 6.9691 7.5029 7.5029 8.7737 8.7737 9.9023 9.9023 10.1355 10.1355 10.9005 10.9005 11.8653 11.8653 k = 0.5939 0.1269-0.7088 ( 5242 PWs) bands (ev): -16.4861 -16.4861 -16.4856 -16.4856 -16.4810 -16.4810 -16.4801 -16.4801 -13.5226 -13.5226 -13.5198 -13.5198 -13.5092 -13.5092 -13.5077 -13.5077 -13.4977 -13.4977 -13.4937 -13.4937 -5.2717 -5.2717 -5.0055 -5.0055 -3.7367 -3.7367 -2.2213 -2.2213 -0.9333 -0.9333 3.2404 3.2404 4.2730 4.2730 4.7711 4.7711 5.2365 5.2365 5.4720 5.4720 6.0117 6.0117 6.7181 6.7181 6.9701 6.9701 7.5352 7.5352 8.7554 8.7554 9.9153 9.9153 10.1219 10.1219 10.9059 10.9059 11.8920 11.8920 k = 0.5901 0.1261-0.6779 ( 5229 PWs) bands (ev): -16.4863 -16.4863 -16.4857 -16.4857 -16.4810 -16.4810 -16.4800 -16.4800 -13.5224 -13.5224 -13.5194 -13.5194 -13.5092 -13.5092 -13.5078 -13.5078 -13.4981 -13.4981 -13.4941 -13.4941 -5.3264 -5.3264 -5.0466 -5.0466 -3.7494 -3.7494 -2.2082 -2.2082 -0.8538 -0.8538 3.3219 3.3219 4.3299 4.3299 4.8486 4.8486 5.2813 5.2813 5.5197 5.5197 6.0339 6.0339 6.7162 6.7162 6.9762 6.9762 7.5688 7.5688 8.7336 8.7336 9.9210 9.9210 10.1045 10.1045 10.9147 10.9147 11.9027 11.9027 k = 0.5864 0.1253-0.6470 ( 5236 PWs) bands (ev): -16.4864 -16.4864 -16.4858 -16.4858 -16.4811 -16.4811 -16.4800 -16.4800 -13.5221 -13.5221 -13.5191 -13.5191 -13.5092 -13.5092 -13.5079 -13.5079 -13.4985 -13.4985 -13.4946 -13.4946 -5.3794 -5.3794 -5.0868 -5.0868 -3.7630 -3.7630 -2.1970 -2.1970 -0.7743 -0.7743 3.4084 3.4084 4.3868 4.3868 4.9250 4.9250 5.3246 5.3246 5.5751 5.5751 6.0580 6.0580 6.7118 6.7118 6.9867 6.9867 7.6033 7.6033 8.7084 8.7084 9.9188 9.9188 10.0821 10.0821 10.9262 10.9262 11.8913 11.8913 k = 0.5826 0.1245-0.6161 ( 5243 PWs) bands (ev): -16.4865 -16.4865 -16.4859 -16.4859 -16.4811 -16.4811 -16.4800 -16.4800 -13.5219 -13.5219 -13.5188 -13.5188 -13.5091 -13.5091 -13.5080 -13.5080 -13.4989 -13.4989 -13.4950 -13.4950 -5.4307 -5.4307 -5.1258 -5.1258 -3.7773 -3.7773 -2.1875 -2.1875 -0.6953 -0.6953 3.4999 3.4999 4.4434 4.4434 4.9988 4.9988 5.3677 5.3677 5.6368 5.6368 6.0845 6.0845 6.7072 6.7072 7.0006 7.0006 7.6383 7.6383 8.6798 8.6798 9.9086 9.9086 10.0544 10.0544 10.9388 10.9388 11.8543 11.8543 k = 0.5789 0.1237-0.5852 ( 5246 PWs) bands (ev): -16.4866 -16.4866 -16.4860 -16.4860 -16.4812 -16.4812 -16.4800 -16.4800 -13.5217 -13.5217 -13.5186 -13.5186 -13.5090 -13.5090 -13.5080 -13.5080 -13.4993 -13.4993 -13.4955 -13.4955 -5.4801 -5.4801 -5.1637 -5.1637 -3.7922 -3.7922 -2.1797 -2.1797 -0.6172 -0.6172 3.5963 3.5963 4.4992 4.4992 5.0689 5.0689 5.4127 5.4127 5.7021 5.7021 6.1138 6.1138 6.7047 6.7047 7.0165 7.0165 7.6733 7.6733 8.6481 8.6481 9.8896 9.8896 10.0217 10.0217 10.9499 10.9499 11.7919 11.7919 k = 0.5751 0.1229-0.5543 ( 5246 PWs) bands (ev): -16.4868 -16.4868 -16.4861 -16.4861 -16.4812 -16.4812 -16.4800 -16.4800 -13.5216 -13.5216 -13.5183 -13.5183 -13.5089 -13.5089 -13.5080 -13.5080 -13.4997 -13.4997 -13.4959 -13.4959 -5.5276 -5.5276 -5.2003 -5.2003 -3.8075 -3.8075 -2.1733 -2.1733 -0.5404 -0.5404 3.6976 3.6976 4.5537 4.5537 5.1341 5.1341 5.4614 5.4614 5.7681 5.7681 6.1465 6.1465 6.7068 6.7068 7.0334 7.0334 7.7079 7.7079 8.6134 8.6134 9.8608 9.8608 9.9857 9.9857 10.9560 10.9560 11.7105 11.7105 k = 0.5714 0.1221-0.5234 ( 5237 PWs) bands (ev): -16.4869 -16.4869 -16.4863 -16.4863 -16.4812 -16.4812 -16.4799 -16.4799 -13.5215 -13.5215 -13.5181 -13.5181 -13.5088 -13.5088 -13.5080 -13.5080 -13.5001 -13.5001 -13.4963 -13.4963 -5.5731 -5.5731 -5.2356 -5.2356 -3.8230 -3.8230 -2.1684 -2.1684 -0.4652 -0.4652 3.8035 3.8035 4.6065 4.6065 5.1938 5.1938 5.5153 5.5153 5.8316 5.8316 6.1831 6.1831 6.7161 6.7161 7.0504 7.0504 7.7415 7.7415 8.5762 8.5762 9.8205 9.8205 9.9489 9.9489 10.9523 10.9523 11.6216 11.6216 k = 0.5676 0.1213-0.4925 ( 5240 PWs) bands (ev): -16.4871 -16.4871 -16.4864 -16.4864 -16.4812 -16.4812 -16.4799 -16.4799 -13.5214 -13.5214 -13.5180 -13.5180 -13.5087 -13.5087 -13.5079 -13.5079 -13.5004 -13.5004 -13.4967 -13.4967 -5.6164 -5.6164 -5.2694 -5.2694 -3.8385 -3.8385 -2.1646 -2.1646 -0.3920 -0.3920 3.9137 3.9137 4.6571 4.6571 5.2483 5.2483 5.5749 5.5749 5.8893 5.8893 6.2234 6.2234 6.7353 6.7353 7.0665 7.0665 7.7735 7.7735 8.5370 8.5370 9.7674 9.7674 9.9133 9.9133 10.9335 10.9335 11.5364 11.5364 k = 0.5639 0.1205-0.4616 ( 5242 PWs) bands (ev): -16.4872 -16.4872 -16.4865 -16.4865 -16.4813 -16.4813 -16.4799 -16.4799 -13.5214 -13.5214 -13.5179 -13.5179 -13.5085 -13.5085 -13.5078 -13.5078 -13.5008 -13.5008 -13.4970 -13.4970 -5.6577 -5.6577 -5.3018 -5.3018 -3.8539 -3.8539 -2.1620 -2.1620 -0.3210 -0.3210 4.0280 4.0280 4.7048 4.7048 5.2987 5.2987 5.6398 5.6398 5.9397 5.9397 6.2657 6.2657 6.7674 6.7674 7.0813 7.0813 7.8031 7.8031 8.4963 8.4963 9.7022 9.7022 9.8795 9.8795 10.8952 10.8952 11.4636 11.4636 k = 0.5601 0.1197-0.4307 ( 5236 PWs) bands (ev): -16.4873 -16.4873 -16.4866 -16.4866 -16.4813 -16.4813 -16.4798 -16.4798 -13.5214 -13.5214 -13.5178 -13.5178 -13.5084 -13.5084 -13.5077 -13.5077 -13.5011 -13.5011 -13.4974 -13.4974 -5.6968 -5.6968 -5.3326 -5.3326 -3.8691 -3.8691 -2.1602 -2.1602 -0.2526 -0.2526 4.1458 4.1458 4.7494 4.7494 5.3466 5.3466 5.7092 5.7092 5.9823 5.9823 6.3072 6.3072 6.8143 6.8143 7.0942 7.0942 7.8291 7.8291 8.4552 8.4552 9.6264 9.6264 9.8472 9.8472 10.8360 10.8360 11.4070 11.4070 k = 0.5563 0.1189-0.3998 ( 5244 PWs) bands (ev): -16.4875 -16.4875 -16.4868 -16.4868 -16.4813 -16.4813 -16.4798 -16.4798 -13.5215 -13.5215 -13.5177 -13.5177 -13.5082 -13.5082 -13.5075 -13.5075 -13.5014 -13.5014 -13.4977 -13.4977 -5.7337 -5.7337 -5.3618 -5.3618 -3.8840 -3.8840 -2.1594 -2.1594 -0.1869 -0.1869 4.2663 4.2663 4.7909 4.7909 5.3934 5.3934 5.7817 5.7817 6.0185 6.0185 6.3454 6.3454 6.8764 6.8764 7.1048 7.1048 7.8503 7.8503 8.4150 8.4150 9.5416 9.5416 9.8161 9.8161 10.7593 10.7593 11.3649 11.3649 k = 0.5526 0.1181-0.3689 ( 5240 PWs) bands (ev): -16.4876 -16.4876 -16.4869 -16.4869 -16.4813 -16.4813 -16.4798 -16.4798 -13.5216 -13.5216 -13.5177 -13.5177 -13.5081 -13.5081 -13.5074 -13.5074 -13.5017 -13.5017 -13.4979 -13.4979 -5.7684 -5.7684 -5.3893 -5.3893 -3.8984 -3.8984 -2.1592 -2.1592 -0.1244 -0.1244 4.3883 4.3883 4.8298 4.8298 5.4404 5.4404 5.8564 5.8564 6.0500 6.0500 6.3789 6.3789 6.9509 6.9509 7.1138 7.1138 7.8646 7.8646 8.3774 8.3774 9.4496 9.4496 9.7864 9.7864 10.6711 10.6711 11.3329 11.3329 k = 0.5488 0.1173-0.3380 ( 5244 PWs) bands (ev): -16.4878 -16.4878 -16.4870 -16.4870 -16.4813 -16.4813 -16.4797 -16.4797 -13.5217 -13.5217 -13.5178 -13.5178 -13.5079 -13.5079 -13.5071 -13.5071 -13.5020 -13.5020 -13.4982 -13.4982 -5.8008 -5.8008 -5.4151 -5.4151 -3.9122 -3.9122 -2.1596 -2.1596 -0.0651 -0.0651 4.5096 4.5096 4.8677 4.8677 5.4882 5.4882 5.9318 5.9318 6.0791 6.0791 6.4079 6.4079 7.0289 7.0289 7.1264 7.1264 7.8699 7.8699 8.3446 8.3446 9.3520 9.3520 9.7584 9.7584 10.5773 10.5773 11.3064 11.3064 k = 0.5451 0.1165-0.3072 ( 5248 PWs) bands (ev): -16.4879 -16.4879 -16.4871 -16.4871 -16.4813 -16.4813 -16.4797 -16.4797 -13.5218 -13.5218 -13.5178 -13.5178 -13.5077 -13.5077 -13.5069 -13.5069 -13.5023 -13.5023 -13.4985 -13.4985 -5.8309 -5.8309 -5.4392 -5.4392 -3.9253 -3.9253 -2.1604 -2.1604 -0.0093 -0.0093 4.6253 4.6253 4.9092 4.9092 5.5371 5.5371 6.0062 6.0062 6.1084 6.1084 6.4336 6.4336 7.0776 7.0776 7.1703 7.1703 7.8640 7.8640 8.3186 8.3186 9.2512 9.2512 9.7325 9.7325 10.4824 10.4824 11.2821 11.2821 k = 0.5413 0.1157-0.2763 ( 5244 PWs) bands (ev): -16.4880 -16.4880 -16.4872 -16.4872 -16.4813 -16.4813 -16.4797 -16.4797 -13.5219 -13.5219 -13.5179 -13.5179 -13.5075 -13.5075 -13.5067 -13.5067 -13.5025 -13.5025 -13.4987 -13.4987 -5.8586 -5.8586 -5.4615 -5.4615 -3.9377 -3.9377 -2.1616 -2.1616 0.0428 0.0428 4.7251 4.7251 4.9642 4.9642 5.5867 5.5867 6.0747 6.0747 6.1432 6.1432 6.4572 6.4572 7.0838 7.0838 7.2540 7.2540 7.8457 7.8457 8.3007 8.3007 9.1500 9.1500 9.7092 9.7092 10.3890 10.3890 11.2582 11.2582 k = 0.5376 0.1149-0.2454 ( 5250 PWs) bands (ev): -16.4881 -16.4881 -16.4873 -16.4873 -16.4812 -16.4812 -16.4797 -16.4797 -13.5220 -13.5220 -13.5180 -13.5180 -13.5073 -13.5073 -13.5065 -13.5065 -13.5027 -13.5027 -13.4989 -13.4989 -5.8840 -5.8840 -5.4819 -5.4819 -3.9492 -3.9492 -2.1631 -2.1631 0.0911 0.0911 4.7959 4.7959 5.0456 5.0456 5.6363 5.6363 6.1274 6.1274 6.1937 6.1937 6.4799 6.4799 7.0754 7.0754 7.3434 7.3434 7.8163 7.8163 8.2899 8.2899 9.0523 9.0523 9.6886 9.6886 10.2991 10.2991 11.2332 11.2332 k = 0.5338 0.1141-0.2145 ( 5243 PWs) bands (ev): -16.4882 -16.4882 -16.4874 -16.4874 -16.4812 -16.4812 -16.4796 -16.4796 -13.5222 -13.5222 -13.5181 -13.5181 -13.5072 -13.5072 -13.5062 -13.5062 -13.5029 -13.5029 -13.4990 -13.4990 -5.9071 -5.9071 -5.5005 -5.5005 -3.9599 -3.9599 -2.1647 -2.1647 0.1352 0.1352 4.8376 4.8376 5.1533 5.1533 5.6850 5.6850 6.1658 6.1658 6.2580 6.2580 6.5032 6.5032 7.0602 7.0602 7.4228 7.4228 7.7803 7.7803 8.2838 8.2838 8.9637 8.9637 9.6708 9.6708 10.2139 10.2139 11.2054 11.2054 k = 0.5300 0.1133-0.1836 ( 5245 PWs) bands (ev): -16.4883 -16.4883 -16.4875 -16.4875 -16.4812 -16.4812 -16.4796 -16.4796 -13.5223 -13.5223 -13.5182 -13.5182 -13.5070 -13.5070 -13.5060 -13.5060 -13.5031 -13.5031 -13.4992 -13.4992 -5.9277 -5.9277 -5.5172 -5.5172 -3.9696 -3.9696 -2.1664 -2.1664 0.1752 0.1752 4.8615 4.8615 5.2751 5.2751 5.7314 5.7314 6.2014 6.2014 6.3230 6.3230 6.5294 6.5294 7.0402 7.0402 7.4773 7.4773 7.7478 7.7478 8.2786 8.2786 8.8908 8.8908 9.6552 9.6552 10.1346 10.1346 11.1701 11.1701 k = 0.5263 0.1125-0.1527 ( 5251 PWs) bands (ev): -16.4884 -16.4884 -16.4876 -16.4876 -16.4812 -16.4812 -16.4796 -16.4796 -13.5224 -13.5224 -13.5183 -13.5183 -13.5068 -13.5068 -13.5058 -13.5058 -13.5033 -13.5033 -13.4993 -13.4993 -5.9460 -5.9460 -5.5320 -5.5320 -3.9783 -3.9783 -2.1680 -2.1680 0.2107 0.2107 4.8761 4.8761 5.4017 5.4017 5.7745 5.7745 6.2394 6.2394 6.3805 6.3805 6.5616 6.5616 7.0169 7.0169 7.4872 7.4872 7.7328 7.7328 8.2721 8.2721 8.8408 8.8408 9.6406 9.6406 10.0624 10.0624 11.1187 11.1187 k = 0.5225 0.1117-0.1218 ( 5249 PWs) bands (ev): -16.4885 -16.4885 -16.4877 -16.4877 -16.4812 -16.4812 -16.4796 -16.4796 -13.5225 -13.5225 -13.5184 -13.5184 -13.5067 -13.5067 -13.5056 -13.5056 -13.5035 -13.5035 -13.4994 -13.4994 -5.9618 -5.9618 -5.5449 -5.5449 -3.9859 -3.9859 -2.1696 -2.1696 0.2419 0.2419 4.8854 4.8854 5.5275 5.5275 5.8130 5.8130 6.2816 6.2816 6.4249 6.4249 6.6028 6.6028 6.9923 6.9923 7.4494 7.4494 7.7331 7.7331 8.2648 8.2648 8.8186 8.8186 9.6252 9.6252 9.9992 9.9992 11.0490 11.0490 k = 0.5188 0.1109-0.0909 ( 5261 PWs) bands (ev): -16.4885 -16.4885 -16.4877 -16.4877 -16.4812 -16.4812 -16.4795 -16.4795 -13.5226 -13.5226 -13.5185 -13.5185 -13.5065 -13.5065 -13.5054 -13.5054 -13.5036 -13.5036 -13.4995 -13.4995 -5.9753 -5.9753 -5.5558 -5.5558 -3.9924 -3.9924 -2.1710 -2.1710 0.2684 0.2684 4.8914 4.8914 5.6478 5.6478 5.8467 5.8467 6.3285 6.3285 6.4548 6.4548 6.6522 6.6522 6.9691 6.9691 7.3818 7.3818 7.7275 7.7275 8.2605 8.2605 8.8236 8.8236 9.6061 9.6061 9.9475 9.9475 10.9720 10.9720 k = 0.5150 0.1101-0.0600 ( 5261 PWs) bands (ev): -16.4886 -16.4886 -16.4878 -16.4878 -16.4812 -16.4812 -16.4795 -16.4795 -13.5227 -13.5227 -13.5186 -13.5186 -13.5064 -13.5064 -13.5052 -13.5052 -13.5038 -13.5038 -13.4996 -13.4996 -5.9863 -5.9863 -5.5647 -5.5647 -3.9978 -3.9978 -2.1723 -2.1723 0.2902 0.2902 4.8953 4.8953 5.7569 5.7569 5.8764 5.8764 6.3789 6.3789 6.4731 6.4731 6.7044 6.7044 6.9516 6.9516 7.2984 7.2984 7.7058 7.7058 8.2619 8.2619 8.8501 8.8501 9.5809 9.5809 9.9095 9.9095 10.8973 10.8973 k = 0.5113 0.1093-0.0291 ( 5269 PWs) bands (ev): -16.4886 -16.4886 -16.4878 -16.4878 -16.4812 -16.4812 -16.4795 -16.4795 -13.5228 -13.5228 -13.5186 -13.5186 -13.5063 -13.5063 -13.5051 -13.5051 -13.5039 -13.5039 -13.4997 -13.4997 -5.9948 -5.9948 -5.5717 -5.5717 -4.0020 -4.0020 -2.1733 -2.1733 0.3072 0.3072 4.8977 4.8977 5.8427 5.8427 5.9092 5.9092 6.4293 6.4293 6.4831 6.4831 6.7545 6.7545 6.9444 6.9444 7.2065 7.2065 7.6718 7.6718 8.2678 8.2678 8.8894 8.8894 9.5499 9.5499 9.8856 9.8856 10.8315 10.8315 k = 0.5075 0.1085 0.0018 ( 5285 PWs) bands (ev): -16.4887 -16.4887 -16.4878 -16.4878 -16.4812 -16.4812 -16.4795 -16.4795 -13.5229 -13.5229 -13.5187 -13.5187 -13.5063 -13.5063 -13.5050 -13.5050 -13.5040 -13.5040 -13.4997 -13.4997 -6.0009 -6.0009 -5.5767 -5.5767 -4.0050 -4.0050 -2.1741 -2.1741 0.3195 0.3195 4.8991 4.8991 5.8845 5.8845 5.9595 5.9595 6.4718 6.4718 6.4888 6.4888 6.8033 6.8033 6.9487 6.9487 7.1111 7.1111 7.6356 7.6356 8.2747 8.2747 8.9309 8.9309 9.5174 9.5174 9.8730 9.8730 10.7799 10.7799 k = 0.5038 0.1077 0.0327 ( 5298 PWs) bands (ev): -16.4887 -16.4887 -16.4879 -16.4879 -16.4812 -16.4812 -16.4795 -16.4795 -13.5229 -13.5229 -13.5187 -13.5187 -13.5063 -13.5063 -13.5049 -13.5049 -13.5040 -13.5040 -13.4998 -13.4998 -6.0046 -6.0046 -5.5797 -5.5797 -4.0068 -4.0068 -2.1745 -2.1745 0.3268 0.3268 4.8999 4.8999 5.8991 5.8991 6.0043 6.0043 6.4846 6.4846 6.5065 6.5065 6.8597 6.8597 6.9583 6.9583 7.0176 7.0176 7.6082 7.6082 8.2800 8.2800 8.9632 8.9632 9.4916 9.4916 9.8679 9.8679 10.7468 10.7468 k = 0.5000 0.1068 0.0636 ( 5284 PWs) bands (ev): -16.4887 -16.4887 -16.4879 -16.4879 -16.4812 -16.4812 -16.4795 -16.4795 -13.5229 -13.5229 -13.5187 -13.5187 -13.5062 -13.5062 -13.5049 -13.5049 -13.5041 -13.5041 -13.4998 -13.4998 -6.0058 -6.0058 -5.5807 -5.5807 -4.0074 -4.0074 -2.1747 -2.1747 0.3293 0.3293 4.9001 4.9001 5.9031 5.9031 6.0210 6.0210 6.4850 6.4850 6.5163 6.5163 6.9249 6.9249 6.9382 6.9382 6.9631 6.9631 7.5980 7.5980 8.2819 8.2819 8.9755 8.9755 9.4816 9.4816 9.8666 9.8666 10.7353 10.7353 k = 0.5000-1.1164-0.6642 ( 5210 PWs) bands (ev): -16.4854 -16.4854 -16.4848 -16.4848 -16.4801 -16.4801 -16.4797 -16.4797 -13.5271 -13.5271 -13.5244 -13.5244 -13.5090 -13.5090 -13.5061 -13.5061 -13.4924 -13.4924 -13.4875 -13.4875 -4.3704 -4.3704 -4.2802 -4.2802 -3.7777 -3.7777 -2.7415 -2.7415 -1.8269 -1.8269 2.2528 2.2528 3.9320 3.9320 4.4540 4.4540 4.7839 4.7839 5.0655 5.0655 5.4915 5.4915 5.8506 5.8506 6.9759 6.9759 7.5781 7.5781 8.5449 8.5449 9.7156 9.7156 10.8342 10.8342 11.0661 11.0661 11.4817 11.4817 k = 0.5294-1.1067-0.6584 ( 5216 PWs) bands (ev): -16.4854 -16.4854 -16.4848 -16.4848 -16.4801 -16.4801 -16.4797 -16.4797 -13.5271 -13.5271 -13.5244 -13.5244 -13.5090 -13.5090 -13.5061 -13.5061 -13.4924 -13.4924 -13.4875 -13.4875 -4.3707 -4.3707 -4.2798 -4.2798 -3.7777 -3.7777 -2.7420 -2.7420 -1.8264 -1.8264 2.2545 2.2545 3.9300 3.9300 4.4474 4.4474 4.7814 4.7814 5.0651 5.0651 5.4947 5.4947 5.8654 5.8654 6.9721 6.9721 7.5687 7.5687 8.5537 8.5537 9.7205 9.7205 10.8128 10.8128 11.0715 11.0715 11.4781 11.4781 k = 0.5587-1.0970-0.6526 ( 5215 PWs) bands (ev): -16.4854 -16.4854 -16.4848 -16.4848 -16.4801 -16.4801 -16.4797 -16.4797 -13.5271 -13.5271 -13.5244 -13.5244 -13.5090 -13.5090 -13.5061 -13.5061 -13.4924 -13.4924 -13.4875 -13.4875 -4.3717 -4.3717 -4.2789 -4.2789 -3.7778 -3.7778 -2.7433 -2.7433 -1.8248 -1.8248 2.2597 2.2597 3.9238 3.9238 4.4276 4.4276 4.7740 4.7740 5.0653 5.0653 5.5051 5.5051 5.9072 5.9072 6.9610 6.9610 7.5415 7.5415 8.5789 8.5789 9.7350 9.7350 10.7563 10.7563 11.0809 11.0809 11.4683 11.4683 k = 0.5881-1.0873-0.6469 ( 5218 PWs) bands (ev): -16.4854 -16.4854 -16.4848 -16.4848 -16.4801 -16.4801 -16.4797 -16.4797 -13.5271 -13.5271 -13.5244 -13.5244 -13.5090 -13.5090 -13.5061 -13.5061 -13.4924 -13.4924 -13.4875 -13.4875 -4.3733 -4.3733 -4.2773 -4.2773 -3.7779 -3.7779 -2.7455 -2.7455 -1.8221 -1.8221 2.2682 2.2682 3.9141 3.9141 4.3951 4.3951 4.7628 4.7628 5.0688 5.0688 5.5234 5.5234 5.9701 5.9701 6.9435 6.9435 7.4993 7.4993 8.6176 8.6176 9.7581 9.7581 10.6775 10.6775 11.0848 11.0848 11.4543 11.4543 k = 0.6175-1.0776-0.6411 ( 5220 PWs) bands (ev): -16.4854 -16.4854 -16.4848 -16.4848 -16.4801 -16.4801 -16.4797 -16.4797 -13.5271 -13.5271 -13.5244 -13.5244 -13.5090 -13.5090 -13.5061 -13.5061 -13.4924 -13.4924 -13.4875 -13.4875 -4.3755 -4.3755 -4.2751 -4.2751 -3.7780 -3.7780 -2.7485 -2.7485 -1.8185 -1.8185 2.2799 2.2799 3.9014 3.9014 4.3514 4.3514 4.7488 4.7488 5.0783 5.0783 5.5498 5.5498 6.0472 6.0472 6.9211 6.9211 7.4452 7.4452 8.6660 8.6660 9.7883 9.7883 10.5857 10.5857 11.0793 11.0793 11.4380 11.4380 k = 0.6468-1.0679-0.6353 ( 5218 PWs) bands (ev): -16.4854 -16.4854 -16.4848 -16.4848 -16.4801 -16.4801 -16.4797 -16.4797 -13.5271 -13.5271 -13.5244 -13.5244 -13.5090 -13.5090 -13.5061 -13.5061 -13.4924 -13.4924 -13.4875 -13.4875 -4.3782 -4.3782 -4.2725 -4.2725 -3.7781 -3.7781 -2.7522 -2.7522 -1.8140 -1.8140 2.2943 2.2943 3.8863 3.8863 4.2986 4.2986 4.7334 4.7334 5.0949 5.0949 5.5837 5.5837 6.1317 6.1317 6.8961 6.8961 7.3826 7.3826 8.7204 8.7204 9.8234 9.8234 10.4881 10.4881 11.0644 11.0644 11.4204 11.4204 k = 0.6762-1.0582-0.6295 ( 5216 PWs) bands (ev): -16.4854 -16.4854 -16.4848 -16.4848 -16.4801 -16.4801 -16.4797 -16.4797 -13.5271 -13.5271 -13.5244 -13.5244 -13.5090 -13.5090 -13.5061 -13.5061 -13.4924 -13.4924 -13.4875 -13.4875 -4.3814 -4.3814 -4.2695 -4.2695 -3.7782 -3.7782 -2.7564 -2.7564 -1.8089 -1.8089 2.3111 2.3111 3.8696 3.8696 4.2397 4.2397 4.7173 4.7173 5.1184 5.1184 5.6243 5.6243 6.2171 6.2171 6.8720 6.8720 7.3140 7.3140 8.7770 8.7770 9.8595 9.8595 10.3924 10.3924 11.0418 11.0418 11.4014 11.4014 k = 0.7056-1.0484-0.6238 ( 5214 PWs) bands (ev): -16.4854 -16.4854 -16.4848 -16.4848 -16.4801 -16.4801 -16.4797 -16.4797 -13.5271 -13.5271 -13.5244 -13.5244 -13.5090 -13.5090 -13.5061 -13.5061 -13.4924 -13.4924 -13.4875 -13.4875 -4.3850 -4.3850 -4.2662 -4.2662 -3.7782 -3.7782 -2.7610 -2.7610 -1.8031 -1.8031 2.3299 2.3299 3.8522 3.8522 4.1780 4.1780 4.7013 4.7013 5.1479 5.1479 5.6706 5.6706 6.2956 6.2956 6.8538 6.8538 7.2419 7.2419 8.8324 8.8324 9.8902 9.8902 10.3083 10.3083 11.0134 11.0134 11.3810 11.3810 k = 0.7349-1.0387-0.6180 ( 5209 PWs) bands (ev): -16.4854 -16.4854 -16.4848 -16.4848 -16.4801 -16.4801 -16.4797 -16.4797 -13.5271 -13.5271 -13.5244 -13.5244 -13.5090 -13.5090 -13.5061 -13.5061 -13.4924 -13.4924 -13.4875 -13.4875 -4.3890 -4.3890 -4.2627 -4.2627 -3.7781 -3.7781 -2.7660 -2.7660 -1.7969 -1.7969 2.3499 2.3499 3.8346 3.8346 4.1161 4.1161 4.6859 4.6859 5.1821 5.1821 5.7217 5.7217 6.3579 6.3579 6.8482 6.8482 7.1690 7.1690 8.8829 8.8829 9.9049 9.9049 10.2497 10.2497 10.9812 10.9812 11.3594 11.3594 k = 0.7643-1.0290-0.6122 ( 5209 PWs) bands (ev): -16.4854 -16.4854 -16.4848 -16.4848 -16.4801 -16.4801 -16.4797 -16.4797 -13.5271 -13.5271 -13.5244 -13.5244 -13.5090 -13.5090 -13.5061 -13.5061 -13.4924 -13.4924 -13.4875 -13.4875 -4.3933 -4.3933 -4.2591 -4.2591 -3.7779 -3.7779 -2.7711 -2.7711 -1.7905 -1.7905 2.3704 2.3704 3.8174 3.8174 4.0567 4.0567 4.6715 4.6715 5.2196 5.2196 5.7767 5.7767 6.3950 6.3950 6.8590 6.8590 7.0998 7.0998 8.9248 8.9248 9.8942 9.8942 10.2295 10.2295 10.9466 10.9466 11.3369 11.3369 k = 0.7937-1.0193-0.6064 ( 5206 PWs) bands (ev): -16.4854 -16.4854 -16.4848 -16.4848 -16.4801 -16.4801 -16.4797 -16.4797 -13.5270 -13.5270 -13.5244 -13.5244 -13.5090 -13.5090 -13.5061 -13.5061 -13.4924 -13.4924 -13.4875 -13.4875 -4.3979 -4.3979 -4.2555 -4.2555 -3.7775 -3.7775 -2.7762 -2.7762 -1.7839 -1.7839 2.3905 2.3905 3.8013 3.8013 4.0019 4.0019 4.6582 4.6582 5.2591 5.2591 5.8349 5.8349 6.4048 6.4048 6.8745 6.8745 7.0475 7.0475 8.9547 8.9547 9.8654 9.8654 10.2439 10.2439 10.9107 10.9107 11.3145 11.3145 k = 0.8230-1.0096-0.6006 ( 5201 PWs) bands (ev): -16.4854 -16.4854 -16.4848 -16.4848 -16.4801 -16.4801 -16.4797 -16.4797 -13.5270 -13.5270 -13.5244 -13.5244 -13.5090 -13.5090 -13.5061 -13.5061 -13.4924 -13.4924 -13.4875 -13.4875 -4.4027 -4.4027 -4.2520 -4.2520 -3.7769 -3.7769 -2.7811 -2.7811 -1.7774 -1.7774 2.4093 2.4093 3.7867 3.7867 3.9535 3.9535 4.6465 4.6465 5.2991 5.2991 5.8953 5.8953 6.3939 6.3939 6.8571 6.8571 7.0425 7.0425 8.9704 8.9704 9.8365 9.8365 10.2770 10.2770 10.8745 10.8745 11.2933 11.2933 Writing output data file Bi2TeSe2.save init_run : 0.84s CPU 1.10s WALL ( 1 calls) electrons : 440.04s CPU 442.73s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.18s CPU 0.25s WALL ( 1 calls) Called by electrons: c_bands : 440.02s CPU 442.71s WALL ( 1 calls) v_of_rho : 0.06s CPU 0.06s WALL ( 1 calls) v_h : 0.01s CPU 0.00s WALL ( 1 calls) v_xc : 0.05s CPU 0.06s WALL ( 1 calls) newd : 0.13s CPU 0.23s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.07s WALL ( 282 calls) cegterg : 393.38s CPU 395.51s WALL ( 286 calls) Called by sum_band: Called by *egterg: h_psi : 369.79s CPU 371.48s WALL ( 5672 calls) s_psi : 4.07s CPU 4.13s WALL ( 5672 calls) g_psi : 0.29s CPU 0.24s WALL ( 5104 calls) cdiaghg : 41.58s CPU 42.28s WALL ( 5386 calls) cegterg:over : 6.56s CPU 6.56s WALL ( 5104 calls) cegterg:upda : 5.78s CPU 5.85s WALL ( 5104 calls) cegterg:last : 2.96s CPU 2.98s WALL ( 850 calls) cdiaghg:chol : 2.27s CPU 2.47s WALL ( 5386 calls) cdiaghg:inve : 1.52s CPU 1.63s WALL ( 5386 calls) cdiaghg:para : 2.62s CPU 2.59s WALL ( 10772 calls) Called by h_psi: h_psi:vloc : 359.21s CPU 360.89s WALL ( 5672 calls) h_psi:vnl : 10.32s CPU 10.33s WALL ( 5672 calls) add_vuspsi : 4.84s CPU 4.82s WALL ( 5672 calls) General routines calbec : 5.44s CPU 5.49s WALL ( 5672 calls) fft : 0.06s CPU 0.06s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 300.23s CPU 301.85s WALL ( 636064 calls) interpolate : 0.02s CPU 0.02s WALL ( 4 calls) davcio : 0.18s CPU 0.25s WALL ( 564 calls) Parallel routines fft_scatter : 50.03s CPU 50.59s WALL ( 636087 calls) PWSCF : 7m38.86s CPU 7m58.15s WALL This run was terminated on: 14:46: 6 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=