Program PWSCF v.5.4.0 starts on 28Mar2017 at 17:12:41 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 & OpenMP), running on 144 processor cores Number of MPI processes: 72 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 72 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: ./HgI.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S renormalized file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 66 27 7 1892 491 76 Max 67 28 8 1895 511 80 Sum 4789 1975 575 136327 36229 5673 bravais-lattice index = 14 lattice parameter (alat) = 12.8133 a.u. unit-cell volume = 950.7136 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 38.00 number of Kohn-Sham states= 46 kinetic-energy cutoff = 43.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.813346 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.736747 celldm(5)= -0.736747 celldm(6)= 0.473495 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.473495 0.880797 0.000000 ) a(3) = ( -0.736747 -0.440398 0.513082 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.537575 0.974504 ) b(2) = ( 0.000000 1.135336 0.974504 ) b(3) = ( 0.000000 0.000000 1.949008 ) PseudoPot. # 1 for Hg read from file: /users/gautes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for I read from file: /users/gautes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1247 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 Hg 12.00 200.59000 Hg( 1.00) I 7.00 126.90450 I( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 300 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 2) = ( 0.0000000 0.0000000 0.0211849), wk = 0.0033333 k( 3) = ( 0.0000000 0.0000000 0.0423697), wk = 0.0033333 k( 4) = ( 0.0000000 0.0000000 0.0635546), wk = 0.0033333 k( 5) = ( 0.0000000 0.0000000 0.0847395), wk = 0.0033333 k( 6) = ( 0.0000000 0.0000000 0.1059243), wk = 0.0033333 k( 7) = ( 0.0000000 0.0000000 0.1271092), wk = 0.0033333 k( 8) = ( 0.0000000 0.0000000 0.1482941), wk = 0.0033333 k( 9) = ( 0.0000000 0.0000000 0.1694789), wk = 0.0033333 k( 10) = ( 0.0000000 0.0000000 0.1906638), wk = 0.0033333 k( 11) = ( 0.0000000 0.0000000 0.2118487), wk = 0.0033333 k( 12) = ( 0.0000000 0.0000000 0.2330336), wk = 0.0033333 k( 13) = ( 0.0000000 0.0000000 0.2542184), wk = 0.0033333 k( 14) = ( 0.0000000 0.0000000 0.2754033), wk = 0.0033333 k( 15) = ( 0.0000000 0.0000000 0.2965882), wk = 0.0033333 k( 16) = ( 0.0000000 0.0000000 0.3177730), wk = 0.0033333 k( 17) = ( 0.0000000 0.0000000 0.3389579), wk = 0.0033333 k( 18) = ( 0.0000000 0.0000000 0.3601428), wk = 0.0033333 k( 19) = ( 0.0000000 0.0000000 0.3813276), wk = 0.0033333 k( 20) = ( 0.0000000 0.0000000 0.4025125), wk = 0.0033333 k( 21) = ( 0.0000000 0.0000000 0.4236974), wk = 0.0033333 k( 22) = ( 0.0000000 0.0000000 0.4448822), wk = 0.0033333 k( 23) = ( 0.0000000 0.0000000 0.4660671), wk = 0.0033333 k( 24) = ( 0.0000000 0.0000000 0.4872520), wk = 0.0033333 k( 25) = ( 0.0000000 0.0000000 0.5084369), wk = 0.0033333 k( 26) = ( 0.0000000 0.0000000 0.5296217), wk = 0.0033333 k( 27) = ( 0.0000000 0.0000000 0.5508066), wk = 0.0033333 k( 28) = ( 0.0000000 0.0000000 0.5719914), wk = 0.0033333 k( 29) = ( 0.0000000 0.0000000 0.5931763), wk = 0.0033333 k( 30) = ( 0.0000000 0.0000000 0.6143612), wk = 0.0033333 k( 31) = ( 0.0000000 0.0000000 0.6355461), wk = 0.0033333 k( 32) = ( 0.0000000 0.0000000 0.6567309), wk = 0.0033333 k( 33) = ( 0.0000000 0.0000000 0.6779158), wk = 0.0033333 k( 34) = ( 0.0000000 0.0000000 0.6991007), wk = 0.0033333 k( 35) = ( 0.0000000 0.0000000 0.7202855), wk = 0.0033333 k( 36) = ( 0.0000000 0.0000000 0.7414704), wk = 0.0033333 k( 37) = ( 0.0000000 0.0000000 0.7626553), wk = 0.0033333 k( 38) = ( 0.0000000 0.0000000 0.7838401), wk = 0.0033333 k( 39) = ( 0.0000000 0.0000000 0.8050250), wk = 0.0033333 k( 40) = ( 0.0000000 0.0000000 0.8262099), wk = 0.0033333 k( 41) = ( 0.0000000 0.0000000 0.8473947), wk = 0.0033333 k( 42) = ( 0.0000000 0.0000000 0.8685796), wk = 0.0033333 k( 43) = ( 0.0000000 0.0000000 0.8897645), wk = 0.0033333 k( 44) = ( 0.0000000 0.0000000 0.9109493), wk = 0.0033333 k( 45) = ( 0.0000000 0.0000000 0.9321342), wk = 0.0033333 k( 46) = ( 0.0000000 0.0000000 0.9533191), wk = 0.0033333 k( 47) = ( 0.0000000 0.0000000 0.9745039), wk = 0.0033333 k( 48) = ( 0.0000000 0.0000000 0.9745039), wk = 0.0033333 k( 49) = ( -0.0099255 0.0166045 0.9745039), wk = 0.0033333 k( 50) = ( -0.0198510 0.0332089 0.9745039), wk = 0.0033333 k( 51) = ( -0.0297765 0.0498134 0.9745039), wk = 0.0033333 k( 52) = ( -0.0397019 0.0664178 0.9745039), wk = 0.0033333 k( 53) = ( -0.0496274 0.0830223 0.9745039), wk = 0.0033333 k( 54) = ( -0.0595529 0.0996267 0.9745039), wk = 0.0033333 k( 55) = ( -0.0694784 0.1162312 0.9745039), wk = 0.0033333 k( 56) = ( -0.0794039 0.1328356 0.9745039), wk = 0.0033333 k( 57) = ( -0.0893294 0.1494401 0.9745039), wk = 0.0033333 k( 58) = ( -0.0893294 0.1494401 0.9745039), wk = 0.0033333 k( 59) = ( -0.0969344 0.1621626 0.9596817), wk = 0.0033333 k( 60) = ( -0.1045394 0.1748851 0.9448595), wk = 0.0033333 k( 61) = ( -0.1121444 0.1876076 0.9300373), wk = 0.0033333 k( 62) = ( -0.1197494 0.2003301 0.9152150), wk = 0.0033333 k( 63) = ( -0.1273544 0.2130526 0.9003928), wk = 0.0033333 k( 64) = ( -0.1349594 0.2257752 0.8855706), wk = 0.0033333 k( 65) = ( -0.1425645 0.2384977 0.8707484), wk = 0.0033333 k( 66) = ( -0.1501695 0.2512202 0.8559261), wk = 0.0033333 k( 67) = ( -0.1577745 0.2639427 0.8411039), wk = 0.0033333 k( 68) = ( -0.1653795 0.2766652 0.8262817), wk = 0.0033333 k( 69) = ( -0.1729845 0.2893877 0.8114594), wk = 0.0033333 k( 70) = ( -0.1805895 0.3021102 0.7966372), wk = 0.0033333 k( 71) = ( -0.1881945 0.3148327 0.7818150), wk = 0.0033333 k( 72) = ( -0.1957995 0.3275552 0.7669928), wk = 0.0033333 k( 73) = ( -0.2034045 0.3402777 0.7521705), wk = 0.0033333 k( 74) = ( -0.2110095 0.3530002 0.7373483), wk = 0.0033333 k( 75) = ( -0.2186146 0.3657228 0.7225261), wk = 0.0033333 k( 76) = ( -0.2262196 0.3784453 0.7077038), wk = 0.0033333 k( 77) = ( -0.2338246 0.3911678 0.6928816), wk = 0.0033333 k( 78) = ( -0.2414296 0.4038903 0.6780594), wk = 0.0033333 k( 79) = ( -0.2490346 0.4166128 0.6632372), wk = 0.0033333 k( 80) = ( -0.2566396 0.4293353 0.6484149), wk = 0.0033333 k( 81) = ( -0.2642446 0.4420578 0.6335927), wk = 0.0033333 k( 82) = ( -0.2718496 0.4547803 0.6187705), wk = 0.0033333 k( 83) = ( -0.2794547 0.4675028 0.6039483), wk = 0.0033333 k( 84) = ( -0.2870597 0.4802253 0.5891260), wk = 0.0033333 k( 85) = ( -0.2946647 0.4929478 0.5743038), wk = 0.0033333 k( 86) = ( -0.2946647 0.4929478 0.5743038), wk = 0.0033333 k( 87) = ( -0.2869103 0.4799755 0.5591905), wk = 0.0033333 k( 88) = ( -0.2791560 0.4670032 0.5440773), wk = 0.0033333 k( 89) = ( -0.2714017 0.4540309 0.5289640), wk = 0.0033333 k( 90) = ( -0.2636474 0.4410586 0.5138508), wk = 0.0033333 k( 91) = ( -0.2558930 0.4280863 0.4987375), wk = 0.0033333 k( 92) = ( -0.2481387 0.4151140 0.4836242), wk = 0.0033333 k( 93) = ( -0.2403843 0.4021417 0.4685110), wk = 0.0033333 k( 94) = ( -0.2326300 0.3891693 0.4533977), wk = 0.0033333 k( 95) = ( -0.2248757 0.3761970 0.4382845), wk = 0.0033333 k( 96) = ( -0.2171213 0.3632247 0.4231712), wk = 0.0033333 k( 97) = ( -0.2093670 0.3502524 0.4080580), wk = 0.0033333 k( 98) = ( -0.2016127 0.3372801 0.3929447), wk = 0.0033333 k( 99) = ( -0.1938583 0.3243078 0.3778314), wk = 0.0033333 k( 100) = ( -0.1861040 0.3113355 0.3627182), wk = 0.0033333 k( 101) = ( -0.1783497 0.2983632 0.3476049), wk = 0.0033333 k( 102) = ( -0.1705953 0.2853908 0.3324917), wk = 0.0033333 k( 103) = ( -0.1628410 0.2724185 0.3173784), wk = 0.0033333 k( 104) = ( -0.1550867 0.2594462 0.3022652), wk = 0.0033333 k( 105) = ( -0.1473323 0.2464739 0.2871519), wk = 0.0033333 k( 106) = ( -0.1395780 0.2335016 0.2720386), wk = 0.0033333 k( 107) = ( -0.1318237 0.2205293 0.2569254), wk = 0.0033333 k( 108) = ( -0.1240693 0.2075570 0.2418121), wk = 0.0033333 k( 109) = ( -0.1163150 0.1945847 0.2266989), wk = 0.0033333 k( 110) = ( -0.1085607 0.1816124 0.2115856), wk = 0.0033333 k( 111) = ( -0.1008063 0.1686401 0.1964724), wk = 0.0033333 k( 112) = ( -0.0930520 0.1556677 0.1813591), wk = 0.0033333 k( 113) = ( -0.0852977 0.1426954 0.1662458), wk = 0.0033333 k( 114) = ( -0.0775433 0.1297231 0.1511326), wk = 0.0033333 k( 115) = ( -0.0697890 0.1167508 0.1360193), wk = 0.0033333 k( 116) = ( -0.0620347 0.1037785 0.1209061), wk = 0.0033333 k( 117) = ( -0.0542803 0.0908062 0.1057928), wk = 0.0033333 k( 118) = ( -0.0465260 0.0778339 0.0906795), wk = 0.0033333 k( 119) = ( -0.0387717 0.0648616 0.0755663), wk = 0.0033333 k( 120) = ( -0.0310173 0.0518893 0.0604530), wk = 0.0033333 k( 121) = ( -0.0232630 0.0389169 0.0453398), wk = 0.0033333 k( 122) = ( -0.0155087 0.0259446 0.0302265), wk = 0.0033333 k( 123) = ( -0.0077543 0.0129723 0.0151133), wk = 0.0033333 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 126) = ( 0.0185185 0.0110696 -0.0000000), wk = 0.0033333 k( 127) = ( 0.0370370 0.0221393 -0.0000000), wk = 0.0033333 k( 128) = ( 0.0555556 0.0332089 -0.0000000), wk = 0.0033333 k( 129) = ( 0.0740741 0.0442785 -0.0000000), wk = 0.0033333 k( 130) = ( 0.0925926 0.0553482 -0.0000000), wk = 0.0033333 k( 131) = ( 0.1111111 0.0664178 -0.0000000), wk = 0.0033333 k( 132) = ( 0.1296296 0.0774875 -0.0000000), wk = 0.0033333 k( 133) = ( 0.1481482 0.0885571 -0.0000000), wk = 0.0033333 k( 134) = ( 0.1666667 0.0996267 -0.0000000), wk = 0.0033333 k( 135) = ( 0.1851852 0.1106964 -0.0000000), wk = 0.0033333 k( 136) = ( 0.2037037 0.1217660 -0.0000000), wk = 0.0033333 k( 137) = ( 0.2222222 0.1328356 -0.0000000), wk = 0.0033333 k( 138) = ( 0.2407407 0.1439053 -0.0000000), wk = 0.0033333 k( 139) = ( 0.2592593 0.1549749 -0.0000000), wk = 0.0033333 k( 140) = ( 0.2777778 0.1660445 -0.0000000), wk = 0.0033333 k( 141) = ( 0.2962963 0.1771142 -0.0000000), wk = 0.0033333 k( 142) = ( 0.3148148 0.1881838 -0.0000000), wk = 0.0033333 k( 143) = ( 0.3333333 0.1992535 -0.0000000), wk = 0.0033333 k( 144) = ( 0.3518519 0.2103231 -0.0000000), wk = 0.0033333 k( 145) = ( 0.3703704 0.2213927 -0.0000000), wk = 0.0033333 k( 146) = ( 0.3888889 0.2324624 -0.0000000), wk = 0.0033333 k( 147) = ( 0.4074074 0.2435320 -0.0000000), wk = 0.0033333 k( 148) = ( 0.4259259 0.2546016 -0.0000000), wk = 0.0033333 k( 149) = ( 0.4444444 0.2656713 -0.0000000), wk = 0.0033333 k( 150) = ( 0.4629630 0.2767409 -0.0000000), wk = 0.0033333 k( 151) = ( 0.4814815 0.2878105 -0.0000000), wk = 0.0033333 k( 152) = ( 0.5000000 0.2988802 -0.0000000), wk = 0.0033333 k( 153) = ( 0.5000000 0.2988802 -0.0000000), wk = 0.0033333 k( 154) = ( 0.4923950 0.3116027 0.0148222), wk = 0.0033333 k( 155) = ( 0.4847900 0.3243252 0.0296444), wk = 0.0033333 k( 156) = ( 0.4771850 0.3370477 0.0444667), wk = 0.0033333 k( 157) = ( 0.4695800 0.3497702 0.0592889), wk = 0.0033333 k( 158) = ( 0.4619749 0.3624927 0.0741111), wk = 0.0033333 k( 159) = ( 0.4543699 0.3752152 0.0889334), wk = 0.0033333 k( 160) = ( 0.4467649 0.3879377 0.1037556), wk = 0.0033333 k( 161) = ( 0.4391599 0.4006603 0.1185778), wk = 0.0033333 k( 162) = ( 0.4315549 0.4133828 0.1334001), wk = 0.0033333 k( 163) = ( 0.4239499 0.4261053 0.1482223), wk = 0.0033333 k( 164) = ( 0.4163449 0.4388278 0.1630445), wk = 0.0033333 k( 165) = ( 0.4087399 0.4515503 0.1778667), wk = 0.0033333 k( 166) = ( 0.4011348 0.4642728 0.1926890), wk = 0.0033333 k( 167) = ( 0.3935298 0.4769953 0.2075112), wk = 0.0033333 k( 168) = ( 0.3859248 0.4897178 0.2223334), wk = 0.0033333 k( 169) = ( 0.3783198 0.5024403 0.2371557), wk = 0.0033333 k( 170) = ( 0.3707148 0.5151628 0.2519779), wk = 0.0033333 k( 171) = ( 0.3631098 0.5278853 0.2668001), wk = 0.0033333 k( 172) = ( 0.3555048 0.5406079 0.2816223), wk = 0.0033333 k( 173) = ( 0.3478998 0.5533304 0.2964445), wk = 0.0033333 k( 174) = ( 0.3402947 0.5660529 0.3112668), wk = 0.0033333 k( 175) = ( 0.3326897 0.5787754 0.3260890), wk = 0.0033333 k( 176) = ( 0.3250847 0.5914979 0.3409112), wk = 0.0033333 k( 177) = ( 0.3174797 0.6042204 0.3557335), wk = 0.0033333 k( 178) = ( 0.3098747 0.6169429 0.3705557), wk = 0.0033333 k( 179) = ( 0.3022697 0.6296654 0.3853779), wk = 0.0033333 k( 180) = ( 0.2946647 0.6423879 0.4002002), wk = 0.0033333 k( 181) = ( 0.2946647 0.6423879 0.4002002), wk = 0.0033333 k( 182) = ( 0.2750204 0.6374066 0.4060036), wk = 0.0033333 k( 183) = ( 0.2553761 0.6324253 0.4118071), wk = 0.0033333 k( 184) = ( 0.2357317 0.6274439 0.4176105), wk = 0.0033333 k( 185) = ( 0.2160874 0.6224626 0.4234140), wk = 0.0033333 k( 186) = ( 0.1964431 0.6174812 0.4292174), wk = 0.0033333 k( 187) = ( 0.1767988 0.6124999 0.4350209), wk = 0.0033333 k( 188) = ( 0.1571545 0.6075186 0.4408243), wk = 0.0033333 k( 189) = ( 0.1375102 0.6025372 0.4466278), wk = 0.0033333 k( 190) = ( 0.1178659 0.5975559 0.4524313), wk = 0.0033333 k( 191) = ( 0.0982216 0.5925746 0.4582347), wk = 0.0033333 k( 192) = ( 0.0785773 0.5875932 0.4640381), wk = 0.0033333 k( 193) = ( 0.0589329 0.5826119 0.4698416), wk = 0.0033333 k( 194) = ( 0.0392886 0.5776306 0.4756451), wk = 0.0033333 k( 195) = ( 0.0196443 0.5726492 0.4814485), wk = 0.0033333 k( 196) = ( 0.0000000 0.5676679 0.4872520), wk = 0.0033333 k( 197) = ( 0.0000000 0.5676679 0.4872520), wk = 0.0033333 k( 198) = ( 0.0078125 0.5545983 0.5024786), wk = 0.0033333 k( 199) = ( 0.0156250 0.5415286 0.5177052), wk = 0.0033333 k( 200) = ( 0.0234375 0.5284590 0.5329318), wk = 0.0033333 k( 201) = ( 0.0312500 0.5153894 0.5481585), wk = 0.0033333 k( 202) = ( 0.0390625 0.5023198 0.5633851), wk = 0.0033333 k( 203) = ( 0.0468750 0.4892502 0.5786117), wk = 0.0033333 k( 204) = ( 0.0546875 0.4761806 0.5938383), wk = 0.0033333 k( 205) = ( 0.0625000 0.4631109 0.6090650), wk = 0.0033333 k( 206) = ( 0.0703125 0.4500413 0.6242916), wk = 0.0033333 k( 207) = ( 0.0781250 0.4369717 0.6395182), wk = 0.0033333 k( 208) = ( 0.0859375 0.4239021 0.6547448), wk = 0.0033333 k( 209) = ( 0.0937500 0.4108325 0.6699715), wk = 0.0033333 k( 210) = ( 0.1015625 0.3977628 0.6851981), wk = 0.0033333 k( 211) = ( 0.1093750 0.3846932 0.7004247), wk = 0.0033333 k( 212) = ( 0.1171875 0.3716236 0.7156513), wk = 0.0033333 k( 213) = ( 0.1250000 0.3585540 0.7308780), wk = 0.0033333 k( 214) = ( 0.1328125 0.3454844 0.7461046), wk = 0.0033333 k( 215) = ( 0.1406250 0.3324148 0.7613312), wk = 0.0033333 k( 216) = ( 0.1484375 0.3193451 0.7765578), wk = 0.0033333 k( 217) = ( 0.1562500 0.3062755 0.7917845), wk = 0.0033333 k( 218) = ( 0.1640625 0.2932059 0.8070111), wk = 0.0033333 k( 219) = ( 0.1718750 0.2801363 0.8222377), wk = 0.0033333 k( 220) = ( 0.1796875 0.2670667 0.8374643), wk = 0.0033333 k( 221) = ( 0.1875000 0.2539970 0.8526910), wk = 0.0033333 k( 222) = ( 0.1953125 0.2409274 0.8679176), wk = 0.0033333 k( 223) = ( 0.2031250 0.2278578 0.8831442), wk = 0.0033333 k( 224) = ( 0.2109375 0.2147882 0.8983708), wk = 0.0033333 k( 225) = ( 0.2187500 0.2017186 0.9135974), wk = 0.0033333 k( 226) = ( 0.2265625 0.1886489 0.9288241), wk = 0.0033333 k( 227) = ( 0.2343750 0.1755793 0.9440507), wk = 0.0033333 k( 228) = ( 0.2421875 0.1625097 0.9592773), wk = 0.0033333 k( 229) = ( 0.2500000 0.1494401 0.9745039), wk = 0.0033333 k( 230) = ( 0.2500000 0.1494401 0.9745039), wk = 0.0033333 k( 231) = ( 0.2656250 0.1587801 0.9636225), wk = 0.0033333 k( 232) = ( 0.2812500 0.1681201 0.9527410), wk = 0.0033333 k( 233) = ( 0.2968750 0.1774601 0.9418595), wk = 0.0033333 k( 234) = ( 0.3125000 0.1868001 0.9309780), wk = 0.0033333 k( 235) = ( 0.3281250 0.1961401 0.9200966), wk = 0.0033333 k( 236) = ( 0.3437500 0.2054801 0.9092151), wk = 0.0033333 k( 237) = ( 0.3593750 0.2148201 0.8983336), wk = 0.0033333 k( 238) = ( 0.3750000 0.2241601 0.8874521), wk = 0.0033333 k( 239) = ( 0.3906250 0.2335001 0.8765706), wk = 0.0033333 k( 240) = ( 0.4062500 0.2428402 0.8656892), wk = 0.0033333 k( 241) = ( 0.4218750 0.2521802 0.8548077), wk = 0.0033333 k( 242) = ( 0.4375000 0.2615202 0.8439262), wk = 0.0033333 k( 243) = ( 0.4531250 0.2708602 0.8330447), wk = 0.0033333 k( 244) = ( 0.4687500 0.2802002 0.8221633), wk = 0.0033333 k( 245) = ( 0.4843750 0.2895402 0.8112818), wk = 0.0033333 k( 246) = ( 0.5000000 0.2988802 0.8004003), wk = 0.0033333 k( 247) = ( 0.5000000 0.2988802 0.8004003), wk = 0.0033333 k( 248) = ( 0.5000000 0.2988802 0.7793371), wk = 0.0033333 k( 249) = ( 0.5000000 0.2988802 0.7582740), wk = 0.0033333 k( 250) = ( 0.5000000 0.2988802 0.7372108), wk = 0.0033333 k( 251) = ( 0.5000000 0.2988802 0.7161477), wk = 0.0033333 k( 252) = ( 0.5000000 0.2988802 0.6950845), wk = 0.0033333 k( 253) = ( 0.5000000 0.2988802 0.6740213), wk = 0.0033333 k( 254) = ( 0.5000000 0.2988802 0.6529581), wk = 0.0033333 k( 255) = ( 0.5000000 0.2988802 0.6318950), wk = 0.0033333 k( 256) = ( 0.5000000 0.2988802 0.6108318), wk = 0.0033333 k( 257) = ( 0.5000000 0.2988802 0.5897686), wk = 0.0033333 k( 258) = ( 0.5000000 0.2988802 0.5687055), wk = 0.0033333 k( 259) = ( 0.5000000 0.2988802 0.5476423), wk = 0.0033333 k( 260) = ( 0.5000000 0.2988802 0.5265792), wk = 0.0033333 k( 261) = ( 0.5000000 0.2988802 0.5055160), wk = 0.0033333 k( 262) = ( 0.5000000 0.2988802 0.4844528), wk = 0.0033333 k( 263) = ( 0.5000000 0.2988802 0.4633896), wk = 0.0033333 k( 264) = ( 0.5000000 0.2988802 0.4423265), wk = 0.0033333 k( 265) = ( 0.5000000 0.2988802 0.4212633), wk = 0.0033333 k( 266) = ( 0.5000000 0.2988802 0.4002002), wk = 0.0033333 k( 267) = ( 0.5000000 0.2988802 0.3791370), wk = 0.0033333 k( 268) = ( 0.5000000 0.2988802 0.3580738), wk = 0.0033333 k( 269) = ( 0.5000000 0.2988802 0.3370107), wk = 0.0033333 k( 270) = ( 0.5000000 0.2988802 0.3159475), wk = 0.0033333 k( 271) = ( 0.5000000 0.2988802 0.2948843), wk = 0.0033333 k( 272) = ( 0.5000000 0.2988802 0.2738212), wk = 0.0033333 k( 273) = ( 0.5000000 0.2988802 0.2527580), wk = 0.0033333 k( 274) = ( 0.5000000 0.2988802 0.2316948), wk = 0.0033333 k( 275) = ( 0.5000000 0.2988802 0.2106317), wk = 0.0033333 k( 276) = ( 0.5000000 0.2988802 0.1895685), wk = 0.0033333 k( 277) = ( 0.5000000 0.2988802 0.1685053), wk = 0.0033333 k( 278) = ( 0.5000000 0.2988802 0.1474422), wk = 0.0033333 k( 279) = ( 0.5000000 0.2988802 0.1263790), wk = 0.0033333 k( 280) = ( 0.5000000 0.2988802 0.1053158), wk = 0.0033333 k( 281) = ( 0.5000000 0.2988802 0.0842527), wk = 0.0033333 k( 282) = ( 0.5000000 0.2988802 0.0631895), wk = 0.0033333 k( 283) = ( 0.5000000 0.2988802 0.0421263), wk = 0.0033333 k( 284) = ( 0.5000000 0.2988802 0.0210632), wk = 0.0033333 k( 285) = ( 0.5000000 0.2988802 -0.0000000), wk = 0.0033333 k( 286) = ( 0.0000000 0.0000000 0.9745039), wk = 0.0033333 k( 287) = ( 0.0178571 0.0106743 0.9745039), wk = 0.0033333 k( 288) = ( 0.0357143 0.0213486 0.9745039), wk = 0.0033333 k( 289) = ( 0.0535714 0.0320229 0.9745039), wk = 0.0033333 k( 290) = ( 0.0714286 0.0426972 0.9745039), wk = 0.0033333 k( 291) = ( 0.0892857 0.0533715 0.9745039), wk = 0.0033333 k( 292) = ( 0.1071429 0.0640458 0.9745039), wk = 0.0033333 k( 293) = ( 0.1250000 0.0747200 0.9745039), wk = 0.0033333 k( 294) = ( 0.1428571 0.0853943 0.9745039), wk = 0.0033333 k( 295) = ( 0.1607143 0.0960686 0.9745039), wk = 0.0033333 k( 296) = ( 0.1785714 0.1067429 0.9745039), wk = 0.0033333 k( 297) = ( 0.1964286 0.1174172 0.9745039), wk = 0.0033333 k( 298) = ( 0.2142857 0.1280915 0.9745039), wk = 0.0033333 k( 299) = ( 0.2321429 0.1387658 0.9745039), wk = 0.0033333 k( 300) = ( 0.2500000 0.1494401 0.9745039), wk = 0.0033333 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 2) = ( 0.0000000 0.0000000 0.0108696), wk = 0.0033333 k( 3) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0033333 k( 4) = ( 0.0000000 0.0000000 0.0326087), wk = 0.0033333 k( 5) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0033333 k( 6) = ( 0.0000000 0.0000000 0.0543478), wk = 0.0033333 k( 7) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0033333 k( 8) = ( 0.0000000 0.0000000 0.0760870), wk = 0.0033333 k( 9) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0033333 k( 10) = ( 0.0000000 0.0000000 0.0978261), wk = 0.0033333 k( 11) = ( 0.0000000 0.0000000 0.1086957), wk = 0.0033333 k( 12) = ( 0.0000000 0.0000000 0.1195652), wk = 0.0033333 k( 13) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0033333 k( 14) = ( 0.0000000 0.0000000 0.1413043), wk = 0.0033333 k( 15) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0033333 k( 16) = ( 0.0000000 0.0000000 0.1630435), wk = 0.0033333 k( 17) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0033333 k( 18) = ( 0.0000000 0.0000000 0.1847826), wk = 0.0033333 k( 19) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0033333 k( 20) = ( 0.0000000 0.0000000 0.2065217), wk = 0.0033333 k( 21) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0033333 k( 22) = ( 0.0000000 0.0000000 0.2282609), wk = 0.0033333 k( 23) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0033333 k( 24) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0033333 k( 25) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0033333 k( 26) = ( 0.0000000 0.0000000 0.2717391), wk = 0.0033333 k( 27) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0033333 k( 28) = ( 0.0000000 0.0000000 0.2934783), wk = 0.0033333 k( 29) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0033333 k( 30) = ( 0.0000000 0.0000000 0.3152174), wk = 0.0033333 k( 31) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0033333 k( 32) = ( 0.0000000 0.0000000 0.3369565), wk = 0.0033333 k( 33) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0033333 k( 34) = ( 0.0000000 0.0000000 0.3586956), wk = 0.0033333 k( 35) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0033333 k( 36) = ( 0.0000000 0.0000000 0.3804348), wk = 0.0033333 k( 37) = ( 0.0000000 0.0000000 0.3913044), wk = 0.0033333 k( 38) = ( 0.0000000 0.0000000 0.4021739), wk = 0.0033333 k( 39) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0033333 k( 40) = ( 0.0000000 0.0000000 0.4239130), wk = 0.0033333 k( 41) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0033333 k( 42) = ( 0.0000000 0.0000000 0.4456522), wk = 0.0033333 k( 43) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0033333 k( 44) = ( 0.0000000 0.0000000 0.4673913), wk = 0.0033333 k( 45) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0033333 k( 46) = ( 0.0000000 0.0000000 0.4891304), wk = 0.0033333 k( 47) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033333 k( 48) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033333 k( 49) = ( -0.0099255 0.0099255 0.5000000), wk = 0.0033333 k( 50) = ( -0.0198510 0.0198510 0.5000000), wk = 0.0033333 k( 51) = ( -0.0297765 0.0297765 0.5000000), wk = 0.0033333 k( 52) = ( -0.0397019 0.0397019 0.5000000), wk = 0.0033333 k( 53) = ( -0.0496274 0.0496274 0.5000000), wk = 0.0033333 k( 54) = ( -0.0595529 0.0595529 0.5000000), wk = 0.0033333 k( 55) = ( -0.0694784 0.0694784 0.5000000), wk = 0.0033333 k( 56) = ( -0.0794039 0.0794039 0.5000000), wk = 0.0033333 k( 57) = ( -0.0893294 0.0893294 0.5000000), wk = 0.0033333 k( 58) = ( -0.0893294 0.0893294 0.5000000), wk = 0.0033333 k( 59) = ( -0.0969344 0.0969344 0.4923950), wk = 0.0033333 k( 60) = ( -0.1045394 0.1045394 0.4847900), wk = 0.0033333 k( 61) = ( -0.1121444 0.1121444 0.4771850), wk = 0.0033333 k( 62) = ( -0.1197494 0.1197494 0.4695799), wk = 0.0033333 k( 63) = ( -0.1273544 0.1273544 0.4619749), wk = 0.0033333 k( 64) = ( -0.1349594 0.1349594 0.4543699), wk = 0.0033333 k( 65) = ( -0.1425645 0.1425645 0.4467649), wk = 0.0033333 k( 66) = ( -0.1501695 0.1501695 0.4391599), wk = 0.0033333 k( 67) = ( -0.1577745 0.1577745 0.4315549), wk = 0.0033333 k( 68) = ( -0.1653795 0.1653795 0.4239499), wk = 0.0033333 k( 69) = ( -0.1729845 0.1729845 0.4163449), wk = 0.0033333 k( 70) = ( -0.1805895 0.1805895 0.4087399), wk = 0.0033333 k( 71) = ( -0.1881945 0.1881945 0.4011348), wk = 0.0033333 k( 72) = ( -0.1957995 0.1957995 0.3935298), wk = 0.0033333 k( 73) = ( -0.2034045 0.2034045 0.3859248), wk = 0.0033333 k( 74) = ( -0.2110095 0.2110096 0.3783198), wk = 0.0033333 k( 75) = ( -0.2186146 0.2186146 0.3707148), wk = 0.0033333 k( 76) = ( -0.2262196 0.2262196 0.3631098), wk = 0.0033333 k( 77) = ( -0.2338246 0.2338246 0.3555048), wk = 0.0033333 k( 78) = ( -0.2414296 0.2414296 0.3478998), wk = 0.0033333 k( 79) = ( -0.2490346 0.2490346 0.3402947), wk = 0.0033333 k( 80) = ( -0.2566396 0.2566396 0.3326897), wk = 0.0033333 k( 81) = ( -0.2642446 0.2642446 0.3250847), wk = 0.0033333 k( 82) = ( -0.2718496 0.2718496 0.3174797), wk = 0.0033333 k( 83) = ( -0.2794547 0.2794547 0.3098747), wk = 0.0033333 k( 84) = ( -0.2870597 0.2870597 0.3022697), wk = 0.0033333 k( 85) = ( -0.2946647 0.2946647 0.2946647), wk = 0.0033333 k( 86) = ( -0.2946647 0.2946647 0.2946647), wk = 0.0033333 k( 87) = ( -0.2869103 0.2869103 0.2869103), wk = 0.0033333 k( 88) = ( -0.2791560 0.2791560 0.2791560), wk = 0.0033333 k( 89) = ( -0.2714017 0.2714017 0.2714017), wk = 0.0033333 k( 90) = ( -0.2636474 0.2636474 0.2636474), wk = 0.0033333 k( 91) = ( -0.2558930 0.2558930 0.2558930), wk = 0.0033333 k( 92) = ( -0.2481387 0.2481387 0.2481387), wk = 0.0033333 k( 93) = ( -0.2403843 0.2403843 0.2403843), wk = 0.0033333 k( 94) = ( -0.2326300 0.2326300 0.2326300), wk = 0.0033333 k( 95) = ( -0.2248757 0.2248757 0.2248757), wk = 0.0033333 k( 96) = ( -0.2171213 0.2171213 0.2171214), wk = 0.0033333 k( 97) = ( -0.2093670 0.2093670 0.2093670), wk = 0.0033333 k( 98) = ( -0.2016127 0.2016127 0.2016127), wk = 0.0033333 k( 99) = ( -0.1938583 0.1938583 0.1938583), wk = 0.0033333 k( 100) = ( -0.1861040 0.1861040 0.1861040), wk = 0.0033333 k( 101) = ( -0.1783497 0.1783497 0.1783497), wk = 0.0033333 k( 102) = ( -0.1705953 0.1705953 0.1705953), wk = 0.0033333 k( 103) = ( -0.1628410 0.1628410 0.1628410), wk = 0.0033333 k( 104) = ( -0.1550867 0.1550867 0.1550867), wk = 0.0033333 k( 105) = ( -0.1473323 0.1473323 0.1473323), wk = 0.0033333 k( 106) = ( -0.1395780 0.1395780 0.1395780), wk = 0.0033333 k( 107) = ( -0.1318237 0.1318237 0.1318237), wk = 0.0033333 k( 108) = ( -0.1240693 0.1240693 0.1240693), wk = 0.0033333 k( 109) = ( -0.1163150 0.1163150 0.1163150), wk = 0.0033333 k( 110) = ( -0.1085607 0.1085607 0.1085607), wk = 0.0033333 k( 111) = ( -0.1008063 0.1008063 0.1008063), wk = 0.0033333 k( 112) = ( -0.0930520 0.0930520 0.0930520), wk = 0.0033333 k( 113) = ( -0.0852977 0.0852977 0.0852977), wk = 0.0033333 k( 114) = ( -0.0775433 0.0775433 0.0775433), wk = 0.0033333 k( 115) = ( -0.0697890 0.0697890 0.0697890), wk = 0.0033333 k( 116) = ( -0.0620347 0.0620347 0.0620347), wk = 0.0033333 k( 117) = ( -0.0542803 0.0542803 0.0542803), wk = 0.0033333 k( 118) = ( -0.0465260 0.0465260 0.0465260), wk = 0.0033333 k( 119) = ( -0.0387717 0.0387717 0.0387717), wk = 0.0033333 k( 120) = ( -0.0310173 0.0310173 0.0310173), wk = 0.0033333 k( 121) = ( -0.0232630 0.0232630 0.0232630), wk = 0.0033333 k( 122) = ( -0.0155087 0.0155087 0.0155087), wk = 0.0033333 k( 123) = ( -0.0077543 0.0077543 0.0077543), wk = 0.0033333 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 126) = ( 0.0185185 0.0185185 -0.0185185), wk = 0.0033333 k( 127) = ( 0.0370370 0.0370370 -0.0370370), wk = 0.0033333 k( 128) = ( 0.0555556 0.0555556 -0.0555556), wk = 0.0033333 k( 129) = ( 0.0740741 0.0740741 -0.0740741), wk = 0.0033333 k( 130) = ( 0.0925926 0.0925926 -0.0925926), wk = 0.0033333 k( 131) = ( 0.1111111 0.1111111 -0.1111111), wk = 0.0033333 k( 132) = ( 0.1296296 0.1296296 -0.1296296), wk = 0.0033333 k( 133) = ( 0.1481482 0.1481482 -0.1481482), wk = 0.0033333 k( 134) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0033333 k( 135) = ( 0.1851852 0.1851852 -0.1851852), wk = 0.0033333 k( 136) = ( 0.2037037 0.2037037 -0.2037037), wk = 0.0033333 k( 137) = ( 0.2222222 0.2222222 -0.2222222), wk = 0.0033333 k( 138) = ( 0.2407407 0.2407407 -0.2407407), wk = 0.0033333 k( 139) = ( 0.2592593 0.2592593 -0.2592593), wk = 0.0033333 k( 140) = ( 0.2777778 0.2777778 -0.2777778), wk = 0.0033333 k( 141) = ( 0.2962963 0.2962963 -0.2962963), wk = 0.0033333 k( 142) = ( 0.3148148 0.3148148 -0.3148148), wk = 0.0033333 k( 143) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0033333 k( 144) = ( 0.3518519 0.3518519 -0.3518518), wk = 0.0033333 k( 145) = ( 0.3703704 0.3703704 -0.3703704), wk = 0.0033333 k( 146) = ( 0.3888889 0.3888889 -0.3888889), wk = 0.0033333 k( 147) = ( 0.4074074 0.4074074 -0.4074074), wk = 0.0033333 k( 148) = ( 0.4259259 0.4259259 -0.4259259), wk = 0.0033333 k( 149) = ( 0.4444444 0.4444444 -0.4444444), wk = 0.0033333 k( 150) = ( 0.4629630 0.4629630 -0.4629630), wk = 0.0033333 k( 151) = ( 0.4814815 0.4814815 -0.4814815), wk = 0.0033333 k( 152) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0033333 k( 153) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0033333 k( 154) = ( 0.4923950 0.5076050 -0.4923950), wk = 0.0033333 k( 155) = ( 0.4847900 0.5152100 -0.4847900), wk = 0.0033333 k( 156) = ( 0.4771850 0.5228150 -0.4771850), wk = 0.0033333 k( 157) = ( 0.4695800 0.5304201 -0.4695800), wk = 0.0033333 k( 158) = ( 0.4619749 0.5380251 -0.4619749), wk = 0.0033333 k( 159) = ( 0.4543699 0.5456301 -0.4543699), wk = 0.0033333 k( 160) = ( 0.4467649 0.5532351 -0.4467649), wk = 0.0033333 k( 161) = ( 0.4391599 0.5608401 -0.4391599), wk = 0.0033333 k( 162) = ( 0.4315549 0.5684451 -0.4315549), wk = 0.0033333 k( 163) = ( 0.4239499 0.5760501 -0.4239499), wk = 0.0033333 k( 164) = ( 0.4163449 0.5836551 -0.4163449), wk = 0.0033333 k( 165) = ( 0.4087399 0.5912601 -0.4087399), wk = 0.0033333 k( 166) = ( 0.4011348 0.5988651 -0.4011348), wk = 0.0033333 k( 167) = ( 0.3935298 0.6064702 -0.3935298), wk = 0.0033333 k( 168) = ( 0.3859248 0.6140752 -0.3859248), wk = 0.0033333 k( 169) = ( 0.3783198 0.6216802 -0.3783198), wk = 0.0033333 k( 170) = ( 0.3707148 0.6292852 -0.3707148), wk = 0.0033333 k( 171) = ( 0.3631098 0.6368902 -0.3631098), wk = 0.0033333 k( 172) = ( 0.3555048 0.6444952 -0.3555048), wk = 0.0033333 k( 173) = ( 0.3478998 0.6521002 -0.3478998), wk = 0.0033333 k( 174) = ( 0.3402947 0.6597053 -0.3402947), wk = 0.0033333 k( 175) = ( 0.3326897 0.6673103 -0.3326897), wk = 0.0033333 k( 176) = ( 0.3250847 0.6749153 -0.3250847), wk = 0.0033333 k( 177) = ( 0.3174797 0.6825203 -0.3174797), wk = 0.0033333 k( 178) = ( 0.3098747 0.6901253 -0.3098747), wk = 0.0033333 k( 179) = ( 0.3022697 0.6977303 -0.3022697), wk = 0.0033333 k( 180) = ( 0.2946647 0.7053353 -0.2946647), wk = 0.0033333 k( 181) = ( 0.2946647 0.7053353 -0.2946647), wk = 0.0033333 k( 182) = ( 0.2750204 0.6916463 -0.2750204), wk = 0.0033333 k( 183) = ( 0.2553761 0.6779573 -0.2553761), wk = 0.0033333 k( 184) = ( 0.2357317 0.6642683 -0.2357318), wk = 0.0033333 k( 185) = ( 0.2160874 0.6505792 -0.2160874), wk = 0.0033333 k( 186) = ( 0.1964431 0.6368902 -0.1964431), wk = 0.0033333 k( 187) = ( 0.1767988 0.6232012 -0.1767988), wk = 0.0033333 k( 188) = ( 0.1571545 0.6095122 -0.1571545), wk = 0.0033333 k( 189) = ( 0.1375102 0.5958231 -0.1375102), wk = 0.0033333 k( 190) = ( 0.1178659 0.5821341 -0.1178659), wk = 0.0033333 k( 191) = ( 0.0982216 0.5684451 -0.0982216), wk = 0.0033333 k( 192) = ( 0.0785773 0.5547561 -0.0785773), wk = 0.0033333 k( 193) = ( 0.0589329 0.5410671 -0.0589329), wk = 0.0033333 k( 194) = ( 0.0392886 0.5273780 -0.0392886), wk = 0.0033333 k( 195) = ( 0.0196443 0.5136890 -0.0196443), wk = 0.0033333 k( 196) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033333 k( 197) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033333 k( 198) = ( 0.0078125 0.4921875 0.0078125), wk = 0.0033333 k( 199) = ( 0.0156250 0.4843750 0.0156250), wk = 0.0033333 k( 200) = ( 0.0234375 0.4765625 0.0234375), wk = 0.0033333 k( 201) = ( 0.0312500 0.4687500 0.0312500), wk = 0.0033333 k( 202) = ( 0.0390625 0.4609375 0.0390625), wk = 0.0033333 k( 203) = ( 0.0468750 0.4531250 0.0468750), wk = 0.0033333 k( 204) = ( 0.0546875 0.4453125 0.0546875), wk = 0.0033333 k( 205) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0033333 k( 206) = ( 0.0703125 0.4296875 0.0703125), wk = 0.0033333 k( 207) = ( 0.0781250 0.4218750 0.0781250), wk = 0.0033333 k( 208) = ( 0.0859375 0.4140625 0.0859375), wk = 0.0033333 k( 209) = ( 0.0937500 0.4062500 0.0937500), wk = 0.0033333 k( 210) = ( 0.1015625 0.3984375 0.1015625), wk = 0.0033333 k( 211) = ( 0.1093750 0.3906250 0.1093750), wk = 0.0033333 k( 212) = ( 0.1171875 0.3828125 0.1171875), wk = 0.0033333 k( 213) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0033333 k( 214) = ( 0.1328125 0.3671875 0.1328125), wk = 0.0033333 k( 215) = ( 0.1406250 0.3593750 0.1406250), wk = 0.0033333 k( 216) = ( 0.1484375 0.3515625 0.1484375), wk = 0.0033333 k( 217) = ( 0.1562500 0.3437500 0.1562500), wk = 0.0033333 k( 218) = ( 0.1640625 0.3359375 0.1640625), wk = 0.0033333 k( 219) = ( 0.1718750 0.3281250 0.1718750), wk = 0.0033333 k( 220) = ( 0.1796875 0.3203125 0.1796875), wk = 0.0033333 k( 221) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0033333 k( 222) = ( 0.1953125 0.3046875 0.1953125), wk = 0.0033333 k( 223) = ( 0.2031250 0.2968750 0.2031250), wk = 0.0033333 k( 224) = ( 0.2109375 0.2890625 0.2109375), wk = 0.0033333 k( 225) = ( 0.2187500 0.2812500 0.2187500), wk = 0.0033333 k( 226) = ( 0.2265625 0.2734375 0.2265625), wk = 0.0033333 k( 227) = ( 0.2343750 0.2656250 0.2343750), wk = 0.0033333 k( 228) = ( 0.2421875 0.2578125 0.2421875), wk = 0.0033333 k( 229) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0033333 k( 230) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0033333 k( 231) = ( 0.2656250 0.2656250 0.2287919), wk = 0.0033333 k( 232) = ( 0.2812500 0.2812500 0.2075838), wk = 0.0033333 k( 233) = ( 0.2968750 0.2968750 0.1863757), wk = 0.0033333 k( 234) = ( 0.3125000 0.3125000 0.1651677), wk = 0.0033333 k( 235) = ( 0.3281250 0.3281250 0.1439596), wk = 0.0033333 k( 236) = ( 0.3437500 0.3437500 0.1227515), wk = 0.0033333 k( 237) = ( 0.3593750 0.3593750 0.1015434), wk = 0.0033333 k( 238) = ( 0.3750000 0.3750000 0.0803353), wk = 0.0033333 k( 239) = ( 0.3906250 0.3906250 0.0591272), wk = 0.0033333 k( 240) = ( 0.4062500 0.4062500 0.0379191), wk = 0.0033333 k( 241) = ( 0.4218750 0.4218750 0.0167111), wk = 0.0033333 k( 242) = ( 0.4375000 0.4375000 -0.0044970), wk = 0.0033333 k( 243) = ( 0.4531250 0.4531250 -0.0257051), wk = 0.0033333 k( 244) = ( 0.4687500 0.4687500 -0.0469132), wk = 0.0033333 k( 245) = ( 0.4843750 0.4843750 -0.0681213), wk = 0.0033333 k( 246) = ( 0.5000000 0.5000000 -0.0893294), wk = 0.0033333 k( 247) = ( 0.5000000 0.5000000 -0.0893294), wk = 0.0033333 k( 248) = ( 0.5000000 0.5000000 -0.1001365), wk = 0.0033333 k( 249) = ( 0.5000000 0.5000000 -0.1109436), wk = 0.0033333 k( 250) = ( 0.5000000 0.5000000 -0.1217507), wk = 0.0033333 k( 251) = ( 0.5000000 0.5000000 -0.1325578), wk = 0.0033333 k( 252) = ( 0.5000000 0.5000000 -0.1433650), wk = 0.0033333 k( 253) = ( 0.5000000 0.5000000 -0.1541721), wk = 0.0033333 k( 254) = ( 0.5000000 0.5000000 -0.1649792), wk = 0.0033333 k( 255) = ( 0.5000000 0.5000000 -0.1757863), wk = 0.0033333 k( 256) = ( 0.5000000 0.5000000 -0.1865935), wk = 0.0033333 k( 257) = ( 0.5000000 0.5000000 -0.1974006), wk = 0.0033333 k( 258) = ( 0.5000000 0.5000000 -0.2082077), wk = 0.0033333 k( 259) = ( 0.5000000 0.5000000 -0.2190148), wk = 0.0033333 k( 260) = ( 0.5000000 0.5000000 -0.2298219), wk = 0.0033333 k( 261) = ( 0.5000000 0.5000000 -0.2406291), wk = 0.0033333 k( 262) = ( 0.5000000 0.5000000 -0.2514362), wk = 0.0033333 k( 263) = ( 0.5000000 0.5000000 -0.2622433), wk = 0.0033333 k( 264) = ( 0.5000000 0.5000000 -0.2730504), wk = 0.0033333 k( 265) = ( 0.5000000 0.5000000 -0.2838576), wk = 0.0033333 k( 266) = ( 0.5000000 0.5000000 -0.2946647), wk = 0.0033333 k( 267) = ( 0.5000000 0.5000000 -0.3054718), wk = 0.0033333 k( 268) = ( 0.5000000 0.5000000 -0.3162789), wk = 0.0033333 k( 269) = ( 0.5000000 0.5000000 -0.3270860), wk = 0.0033333 k( 270) = ( 0.5000000 0.5000000 -0.3378932), wk = 0.0033333 k( 271) = ( 0.5000000 0.5000000 -0.3487003), wk = 0.0033333 k( 272) = ( 0.5000000 0.5000000 -0.3595074), wk = 0.0033333 k( 273) = ( 0.5000000 0.5000000 -0.3703145), wk = 0.0033333 k( 274) = ( 0.5000000 0.5000000 -0.3811217), wk = 0.0033333 k( 275) = ( 0.5000000 0.5000000 -0.3919288), wk = 0.0033333 k( 276) = ( 0.5000000 0.5000000 -0.4027359), wk = 0.0033333 k( 277) = ( 0.5000000 0.5000000 -0.4135430), wk = 0.0033333 k( 278) = ( 0.5000000 0.5000000 -0.4243501), wk = 0.0033333 k( 279) = ( 0.5000000 0.5000000 -0.4351573), wk = 0.0033333 k( 280) = ( 0.5000000 0.5000000 -0.4459644), wk = 0.0033333 k( 281) = ( 0.5000000 0.5000000 -0.4567715), wk = 0.0033333 k( 282) = ( 0.5000000 0.5000000 -0.4675786), wk = 0.0033333 k( 283) = ( 0.5000000 0.5000000 -0.4783858), wk = 0.0033333 k( 284) = ( 0.5000000 0.5000000 -0.4891929), wk = 0.0033333 k( 285) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0033333 k( 286) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033333 k( 287) = ( 0.0178571 0.0178571 0.4821429), wk = 0.0033333 k( 288) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0033333 k( 289) = ( 0.0535714 0.0535714 0.4464286), wk = 0.0033333 k( 290) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0033333 k( 291) = ( 0.0892857 0.0892857 0.4107143), wk = 0.0033333 k( 292) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0033333 k( 293) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0033333 k( 294) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0033333 k( 295) = ( 0.1607143 0.1607143 0.3392857), wk = 0.0033333 k( 296) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0033333 k( 297) = ( 0.1964286 0.1964286 0.3035714), wk = 0.0033333 k( 298) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0033333 k( 299) = ( 0.2321429 0.2321429 0.2678571), wk = 0.0033333 k( 300) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0033333 Dense grid: 136327 G-vectors FFT dimensions: ( 90, 90, 90) Smooth grid: 36229 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 136, 46) NL pseudopotentials 0.14 Mb ( 68, 136) Each V/rho on FFT grid 0.25 Mb ( 16200) Each G-vector array 0.01 Mb ( 1893) G-vector shells 0.01 Mb ( 912) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.38 Mb ( 136, 184) Each subspace H/S matrix 0.01 Mb ( 30, 30) Each matrix 0.19 Mb ( 136, 2, 46) The potential is recalculated from file : ./HgI.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.7 secs Computing kpt #: 2 total cpu time spent up to now is 8.4 secs Computing kpt #: 3 total cpu time spent up to now is 10.4 secs Computing kpt #: 4 total cpu time spent up to now is 12.4 secs Computing kpt #: 5 total cpu time spent up to now is 14.7 secs Computing kpt #: 6 total cpu time spent up to now is 16.4 secs Computing kpt #: 7 total cpu time spent up to now is 18.1 secs Computing kpt #: 8 total cpu time spent up to now is 20.2 secs Computing kpt #: 9 total cpu time spent up to now is 21.9 secs Computing kpt #: 10 total cpu time spent up to now is 23.7 secs Computing kpt #: 11 total cpu time spent up to now is 25.6 secs Computing kpt #: 12 total cpu time spent up to now is 27.4 secs Computing kpt #: 13 total cpu time spent up to now is 30.3 secs Computing kpt #: 14 total cpu time spent up to now is 32.1 secs Computing kpt #: 15 total cpu time spent up to now is 33.7 secs Computing kpt #: 16 total cpu time spent up to now is 35.3 secs Computing kpt #: 17 total cpu time spent up to now is 36.7 secs Computing kpt #: 18 total cpu time spent up to now is 38.1 secs Computing kpt #: 19 total cpu time spent up to now is 39.4 secs Computing kpt #: 20 total cpu time spent up to now is 40.8 secs Computing kpt #: 21 total cpu time spent up to now is 42.1 secs Computing kpt #: 22 total cpu time spent up to now is 43.6 secs Computing kpt #: 23 total cpu time spent up to now is 44.9 secs Computing kpt #: 24 total cpu time spent up to now is 46.5 secs Computing kpt #: 25 total cpu time spent up to now is 48.0 secs Computing kpt #: 26 total cpu time spent up to now is 49.5 secs Computing kpt #: 27 total cpu time spent up to now is 50.8 secs Computing kpt #: 28 total cpu time spent up to now is 52.1 secs Computing kpt #: 29 total cpu time spent up to now is 53.6 secs Computing kpt #: 30 total cpu time spent up to now is 54.9 secs Computing kpt #: 31 total cpu time spent up to now is 56.6 secs Computing kpt #: 32 total cpu time spent up to now is 58.1 secs Computing kpt #: 33 total cpu time spent up to now is 59.5 secs Computing kpt #: 34 total cpu time spent up to now is 61.1 secs Computing kpt #: 35 total cpu time spent up to now is 62.5 secs Computing kpt #: 36 total cpu time spent up to now is 63.9 secs Computing kpt #: 37 total cpu time spent up to now is 65.3 secs Computing kpt #: 38 total cpu time spent up to now is 66.9 secs Computing kpt #: 39 total cpu time spent up to now is 68.5 secs Computing kpt #: 40 total cpu time spent up to now is 70.5 secs Computing kpt #: 41 total cpu time spent up to now is 72.2 secs Computing kpt #: 42 total cpu time spent up to now is 73.5 secs Computing kpt #: 43 total cpu time spent up to now is 74.8 secs Computing kpt #: 44 total cpu time spent up to now is 76.2 secs Computing kpt #: 45 total cpu time spent up to now is 77.6 secs Computing kpt #: 46 total cpu time spent up to now is 78.9 secs Computing kpt #: 47 total cpu time spent up to now is 80.5 secs Computing kpt #: 48 total cpu time spent up to now is 82.2 secs Computing kpt #: 49 total cpu time spent up to now is 83.8 secs Computing kpt #: 50 total cpu time spent up to now is 86.9 secs Computing kpt #: 51 total cpu time spent up to now is 88.4 secs Computing kpt #: 52 total cpu time spent up to now is 89.9 secs Computing kpt #: 53 total cpu time spent up to now is 91.6 secs Computing kpt #: 54 total cpu time spent up to now is 93.3 secs Computing kpt #: 55 total cpu time spent up to now is 95.6 secs Computing kpt #: 56 total cpu time spent up to now is 97.3 secs Computing kpt #: 57 total cpu time spent up to now is 98.8 secs Computing kpt #: 58 total cpu time spent up to now is 100.3 secs Computing kpt #: 59 total cpu time spent up to now is 101.7 secs Computing kpt #: 60 total cpu time spent up to now is 103.2 secs Computing kpt #: 61 total cpu time spent up to now is 104.8 secs Computing kpt #: 62 total cpu time spent up to now is 106.2 secs Computing kpt #: 63 total cpu time spent up to now is 107.7 secs Computing kpt #: 64 total cpu time spent up to now is 109.1 secs Computing kpt #: 65 total cpu time spent up to now is 110.7 secs Computing kpt #: 66 total cpu time spent up to now is 112.2 secs Computing kpt #: 67 total cpu time spent up to now is 113.7 secs Computing kpt #: 68 total cpu time spent up to now is 115.2 secs Computing kpt #: 69 total cpu time spent up to now is 116.7 secs Computing kpt #: 70 total cpu time spent up to now is 118.2 secs Computing kpt #: 71 total cpu time spent up to now is 119.7 secs Computing kpt #: 72 total cpu time spent up to now is 121.6 secs Computing kpt #: 73 total cpu time spent up to now is 123.1 secs Computing kpt #: 74 total cpu time spent up to now is 124.6 secs Computing kpt #: 75 total cpu time spent up to now is 126.2 secs Computing kpt #: 76 total cpu time spent up to now is 127.7 secs Computing kpt #: 77 total cpu time spent up to now is 129.3 secs Computing kpt #: 78 total cpu time spent up to now is 130.7 secs Computing kpt #: 79 total cpu time spent up to now is 132.7 secs Computing kpt #: 80 total cpu time spent up to now is 134.0 secs Computing kpt #: 81 total cpu time spent up to now is 135.3 secs Computing kpt #: 82 total cpu time spent up to now is 136.7 secs Computing kpt #: 83 total cpu time spent up to now is 138.1 secs Computing kpt #: 84 total cpu time spent up to now is 139.4 secs Computing kpt #: 85 total cpu time spent up to now is 140.7 secs Computing kpt #: 86 total cpu time spent up to now is 142.0 secs Computing kpt #: 87 total cpu time spent up to now is 143.2 secs Computing kpt #: 88 total cpu time spent up to now is 144.4 secs Computing kpt #: 89 total cpu time spent up to now is 146.0 secs Computing kpt #: 90 total cpu time spent up to now is 147.1 secs Computing kpt #: 91 total cpu time spent up to now is 148.2 secs Computing kpt #: 92 total cpu time spent up to now is 149.5 secs Computing kpt #: 93 total cpu time spent up to now is 150.6 secs Computing kpt #: 94 total cpu time spent up to now is 152.0 secs Computing kpt #: 95 total cpu time spent up to now is 153.3 secs Computing kpt #: 96 total cpu time spent up to now is 154.5 secs Computing kpt #: 97 total cpu time spent up to now is 155.9 secs Computing kpt #: 98 total cpu time spent up to now is 157.2 secs Computing kpt #: 99 total cpu time spent up to now is 158.7 secs Computing kpt #: 100 total cpu time spent up to now is 160.0 secs Computing kpt #: 101 total cpu time spent up to now is 161.5 secs Computing kpt #: 102 total cpu time spent up to now is 163.4 secs Computing kpt #: 103 total cpu time spent up to now is 164.6 secs Computing kpt #: 104 total cpu time spent up to now is 165.6 secs Computing kpt #: 105 total cpu time spent up to now is 166.9 secs Computing kpt #: 106 total cpu time spent up to now is 168.3 secs Computing kpt #: 107 total cpu time spent up to now is 169.9 secs Computing kpt #: 108 total cpu time spent up to now is 171.4 secs Computing kpt #: 109 total cpu time spent up to now is 172.9 secs Computing kpt #: 110 total cpu time spent up to now is 174.3 secs Computing kpt #: 111 total cpu time spent up to now is 175.7 secs Computing kpt #: 112 total cpu time spent up to now is 177.3 secs Computing kpt #: 113 total cpu time spent up to now is 178.9 secs Computing kpt #: 114 total cpu time spent up to now is 180.9 secs Computing kpt #: 115 total cpu time spent up to now is 182.5 secs Computing kpt #: 116 total cpu time spent up to now is 184.4 secs Computing kpt #: 117 total cpu time spent up to now is 186.1 secs Computing kpt #: 118 total cpu time spent up to now is 189.0 secs Computing kpt #: 119 total cpu time spent up to now is 190.9 secs Computing kpt #: 120 total cpu time spent up to now is 194.7 secs Computing kpt #: 121 total cpu time spent up to now is 196.5 secs Computing kpt #: 122 total cpu time spent up to now is 198.4 secs Computing kpt #: 123 total cpu time spent up to now is 200.2 secs Computing kpt #: 124 total cpu time spent up to now is 202.3 secs Computing kpt #: 125 total cpu time spent up to now is 204.5 secs Computing kpt #: 126 total cpu time spent up to now is 206.3 secs Computing kpt #: 127 total cpu time spent up to now is 208.1 secs Computing kpt #: 128 total cpu time spent up to now is 210.3 secs Computing kpt #: 129 total cpu time spent up to now is 212.4 secs Computing kpt #: 130 total cpu time spent up to now is 214.0 secs Computing kpt #: 131 total cpu time spent up to now is 215.7 secs Computing kpt #: 132 total cpu time spent up to now is 217.5 secs Computing kpt #: 133 total cpu time spent up to now is 219.2 secs Computing kpt #: 134 total cpu time spent up to now is 221.0 secs Computing kpt #: 135 total cpu time spent up to now is 222.5 secs Computing kpt #: 136 total cpu time spent up to now is 224.1 secs Computing kpt #: 137 total cpu time spent up to now is 227.1 secs Computing kpt #: 138 total cpu time spent up to now is 228.6 secs Computing kpt #: 139 total cpu time spent up to now is 230.1 secs Computing kpt #: 140 total cpu time spent up to now is 231.6 secs Computing kpt #: 141 total cpu time spent up to now is 233.5 secs Computing kpt #: 142 total cpu time spent up to now is 235.4 secs Computing kpt #: 143 total cpu time spent up to now is 237.1 secs Computing kpt #: 144 total cpu time spent up to now is 238.5 secs Computing kpt #: 145 total cpu time spent up to now is 239.9 secs Computing kpt #: 146 total cpu time spent up to now is 241.9 secs Computing kpt #: 147 total cpu time spent up to now is 243.4 secs Computing kpt #: 148 total cpu time spent up to now is 244.8 secs Computing kpt #: 149 total cpu time spent up to now is 246.3 secs Computing kpt #: 150 total cpu time spent up to now is 247.6 secs Computing kpt #: 151 total cpu time spent up to now is 249.0 secs Computing kpt #: 152 total cpu time spent up to now is 250.5 secs Computing kpt #: 153 total cpu time spent up to now is 251.8 secs Computing kpt #: 154 total cpu time spent up to now is 253.3 secs Computing kpt #: 155 total cpu time spent up to now is 254.7 secs Computing kpt #: 156 total cpu time spent up to now is 256.2 secs Computing kpt #: 157 total cpu time spent up to now is 257.5 secs Computing kpt #: 158 total cpu time spent up to now is 259.0 secs Computing kpt #: 159 total cpu time spent up to now is 260.3 secs Computing kpt #: 160 total cpu time spent up to now is 262.1 secs Computing kpt #: 161 total cpu time spent up to now is 263.8 secs Computing kpt #: 162 total cpu time spent up to now is 265.9 secs Computing kpt #: 163 total cpu time spent up to now is 268.3 secs Computing kpt #: 164 total cpu time spent up to now is 270.3 secs Computing kpt #: 165 total cpu time spent up to now is 272.3 secs Computing kpt #: 166 total cpu time spent up to now is 274.0 secs Computing kpt #: 167 total cpu time spent up to now is 275.7 secs Computing kpt #: 168 total cpu time spent up to now is 277.7 secs Computing kpt #: 169 total cpu time spent up to now is 279.4 secs Computing kpt #: 170 total cpu time spent up to now is 280.9 secs Computing kpt #: 171 total cpu time spent up to now is 282.7 secs Computing kpt #: 172 total cpu time spent up to now is 284.7 secs Computing kpt #: 173 total cpu time spent up to now is 287.2 secs Computing kpt #: 174 total cpu time spent up to now is 288.7 secs Computing kpt #: 175 total cpu time spent up to now is 289.8 secs Computing kpt #: 176 total cpu time spent up to now is 291.4 secs Computing kpt #: 177 total cpu time spent up to now is 292.9 secs Computing kpt #: 178 total cpu time spent up to now is 294.3 secs Computing kpt #: 179 total cpu time spent up to now is 295.7 secs Computing kpt #: 180 total cpu time spent up to now is 297.1 secs Computing kpt #: 181 total cpu time spent up to now is 299.6 secs Computing kpt #: 182 total cpu time spent up to now is 300.8 secs Computing kpt #: 183 total cpu time spent up to now is 302.1 secs Computing kpt #: 184 total cpu time spent up to now is 304.7 secs Computing kpt #: 185 total cpu time spent up to now is 306.2 secs Computing kpt #: 186 total cpu time spent up to now is 307.7 secs Computing kpt #: 187 total cpu time spent up to now is 308.9 secs Computing kpt #: 188 total cpu time spent up to now is 310.3 secs Computing kpt #: 189 total cpu time spent up to now is 311.9 secs Computing kpt #: 190 total cpu time spent up to now is 313.2 secs Computing kpt #: 191 total cpu time spent up to now is 314.5 secs Computing kpt #: 192 total cpu time spent up to now is 315.6 secs Computing kpt #: 193 total cpu time spent up to now is 316.9 secs Computing kpt #: 194 total cpu time spent up to now is 318.2 secs Computing kpt #: 195 total cpu time spent up to now is 319.6 secs Computing kpt #: 196 total cpu time spent up to now is 321.3 secs Computing kpt #: 197 total cpu time spent up to now is 322.8 secs Computing kpt #: 198 total cpu time spent up to now is 324.3 secs Computing kpt #: 199 total cpu time spent up to now is 325.7 secs Computing kpt #: 200 total cpu time spent up to now is 327.1 secs Computing kpt #: 201 total cpu time spent up to now is 328.4 secs Computing kpt #: 202 total cpu time spent up to now is 329.8 secs Computing kpt #: 203 total cpu time spent up to now is 331.2 secs Computing kpt #: 204 total cpu time spent up to now is 332.6 secs Computing kpt #: 205 total cpu time spent up to now is 335.4 secs Computing kpt #: 206 total cpu time spent up to now is 337.0 secs Computing kpt #: 207 total cpu time spent up to now is 338.4 secs Computing kpt #: 208 total cpu time spent up to now is 339.9 secs Computing kpt #: 209 total cpu time spent up to now is 341.2 secs Computing kpt #: 210 total cpu time spent up to now is 342.8 secs Computing kpt #: 211 total cpu time spent up to now is 344.7 secs Computing kpt #: 212 total cpu time spent up to now is 346.7 secs Computing kpt #: 213 total cpu time spent up to now is 348.4 secs Computing kpt #: 214 total cpu time spent up to now is 350.3 secs Computing kpt #: 215 total cpu time spent up to now is 352.4 secs Computing kpt #: 216 total cpu time spent up to now is 354.5 secs Computing kpt #: 217 total cpu time spent up to now is 356.4 secs Computing kpt #: 218 total cpu time spent up to now is 358.7 secs Computing kpt #: 219 total cpu time spent up to now is 360.8 secs Computing kpt #: 220 total cpu time spent up to now is 362.9 secs Computing kpt #: 221 total cpu time spent up to now is 365.0 secs Computing kpt #: 222 total cpu time spent up to now is 367.2 secs Computing kpt #: 223 total cpu time spent up to now is 369.8 secs Computing kpt #: 224 total cpu time spent up to now is 372.2 secs Computing kpt #: 225 total cpu time spent up to now is 374.4 secs Computing kpt #: 226 total cpu time spent up to now is 376.8 secs Computing kpt #: 227 total cpu time spent up to now is 379.0 secs Computing kpt #: 228 total cpu time spent up to now is 381.0 secs Computing kpt #: 229 total cpu time spent up to now is 382.5 secs Computing kpt #: 230 total cpu time spent up to now is 385.3 secs Computing kpt #: 231 total cpu time spent up to now is 387.8 secs Computing kpt #: 232 total cpu time spent up to now is 389.9 secs Computing kpt #: 233 total cpu time spent up to now is 392.2 secs Computing kpt #: 234 total cpu time spent up to now is 394.1 secs Computing kpt #: 235 total cpu time spent up to now is 395.9 secs Computing kpt #: 236 total cpu time spent up to now is 397.5 secs Computing kpt #: 237 total cpu time spent up to now is 399.2 secs Computing kpt #: 238 total cpu time spent up to now is 402.4 secs Computing kpt #: 239 total cpu time spent up to now is 403.9 secs Computing kpt #: 240 total cpu time spent up to now is 405.5 secs Computing kpt #: 241 total cpu time spent up to now is 407.1 secs Computing kpt #: 242 total cpu time spent up to now is 408.5 secs Computing kpt #: 243 total cpu time spent up to now is 410.0 secs Computing kpt #: 244 total cpu time spent up to now is 411.6 secs Computing kpt #: 245 total cpu time spent up to now is 413.2 secs Computing kpt #: 246 total cpu time spent up to now is 414.5 secs Computing kpt #: 247 total cpu time spent up to now is 417.6 secs Computing kpt #: 248 total cpu time spent up to now is 419.1 secs Computing kpt #: 249 total cpu time spent up to now is 420.9 secs Computing kpt #: 250 total cpu time spent up to now is 422.5 secs Computing kpt #: 251 total cpu time spent up to now is 424.1 secs Computing kpt #: 252 total cpu time spent up to now is 425.7 secs Computing kpt #: 253 total cpu time spent up to now is 427.2 secs Computing kpt #: 254 total cpu time spent up to now is 428.9 secs Computing kpt #: 255 total cpu time spent up to now is 430.4 secs Computing kpt #: 256 total cpu time spent up to now is 432.9 secs Computing kpt #: 257 total cpu time spent up to now is 434.6 secs Computing kpt #: 258 total cpu time spent up to now is 436.1 secs Computing kpt #: 259 total cpu time spent up to now is 437.6 secs Computing kpt #: 260 total cpu time spent up to now is 439.2 secs Computing kpt #: 261 total cpu time spent up to now is 441.0 secs Computing kpt #: 262 total cpu time spent up to now is 443.0 secs Computing kpt #: 263 total cpu time spent up to now is 445.0 secs Computing kpt #: 264 total cpu time spent up to now is 447.9 secs Computing kpt #: 265 total cpu time spent up to now is 449.9 secs Computing kpt #: 266 total cpu time spent up to now is 451.6 secs Computing kpt #: 267 total cpu time spent up to now is 453.6 secs Computing kpt #: 268 total cpu time spent up to now is 455.8 secs Computing kpt #: 269 total cpu time spent up to now is 457.5 secs Computing kpt #: 270 total cpu time spent up to now is 459.4 secs Computing kpt #: 271 total cpu time spent up to now is 461.2 secs Computing kpt #: 272 total cpu time spent up to now is 463.2 secs Computing kpt #: 273 total cpu time spent up to now is 464.7 secs Computing kpt #: 274 total cpu time spent up to now is 466.4 secs Computing kpt #: 275 total cpu time spent up to now is 468.2 secs Computing kpt #: 276 total cpu time spent up to now is 469.7 secs Computing kpt #: 277 total cpu time spent up to now is 471.3 secs Computing kpt #: 278 total cpu time spent up to now is 472.7 secs Computing kpt #: 279 total cpu time spent up to now is 474.1 secs Computing kpt #: 280 total cpu time spent up to now is 475.5 secs Computing kpt #: 281 total cpu time spent up to now is 477.0 secs Computing kpt #: 282 total cpu time spent up to now is 479.8 secs Computing kpt #: 283 total cpu time spent up to now is 481.3 secs Computing kpt #: 284 total cpu time spent up to now is 482.6 secs Computing kpt #: 285 total cpu time spent up to now is 484.2 secs Computing kpt #: 286 total cpu time spent up to now is 485.6 secs Computing kpt #: 287 total cpu time spent up to now is 487.0 secs Computing kpt #: 288 total cpu time spent up to now is 488.4 secs Computing kpt #: 289 total cpu time spent up to now is 489.9 secs Computing kpt #: 290 total cpu time spent up to now is 491.1 secs Computing kpt #: 291 total cpu time spent up to now is 492.6 secs Computing kpt #: 292 total cpu time spent up to now is 495.3 secs Computing kpt #: 293 total cpu time spent up to now is 496.8 secs Computing kpt #: 294 total cpu time spent up to now is 498.3 secs Computing kpt #: 295 total cpu time spent up to now is 499.9 secs Computing kpt #: 296 total cpu time spent up to now is 501.8 secs Computing kpt #: 297 total cpu time spent up to now is 503.5 secs Computing kpt #: 298 total cpu time spent up to now is 505.4 secs Computing kpt #: 299 total cpu time spent up to now is 507.8 secs Computing kpt #: 300 total cpu time spent up to now is 510.1 secs ethr = 2.63E-08, avg # of iterations = 32.5 total cpu time spent up to now is 510.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4567 PWs) bands (ev): -7.3855 -7.3855 -6.5042 -6.5042 -2.3084 -2.3084 -1.7752 -1.7752 -1.6543 -1.6543 -1.5977 -1.5977 -0.4437 -0.4437 -0.1373 -0.1373 0.1794 0.1794 0.3158 0.3158 0.3360 0.3360 0.3639 0.3639 1.5310 1.5310 2.1304 2.1304 2.2149 2.2149 3.0867 3.0867 3.4795 3.4795 3.7465 3.7465 4.1200 4.1200 7.8788 7.8788 9.5117 9.5117 10.4817 10.4817 10.8818 10.8818 k = 0.0000 0.0000 0.0212 ( 4567 PWs) bands (ev): -7.3851 -7.3851 -6.5043 -6.5043 -2.3083 -2.3083 -1.7753 -1.7753 -1.6543 -1.6543 -1.5977 -1.5977 -0.4437 -0.4437 -0.1374 -0.1374 0.1792 0.1792 0.3156 0.3156 0.3361 0.3361 0.3636 0.3636 1.5299 1.5299 2.1246 2.1246 2.2155 2.2155 3.0892 3.0892 3.4823 3.4823 3.7491 3.7491 4.1226 4.1226 7.8790 7.8790 9.5042 9.5042 10.4685 10.4685 10.8834 10.8834 k = 0.0000 0.0000 0.0424 ( 4559 PWs) bands (ev): -7.3839 -7.3839 -6.5046 -6.5046 -2.3082 -2.3082 -1.7757 -1.7757 -1.6545 -1.6545 -1.5979 -1.5979 -0.4439 -0.4439 -0.1377 -0.1377 0.1785 0.1785 0.3151 0.3151 0.3361 0.3361 0.3628 0.3628 1.5263 1.5263 2.1090 2.1090 2.2161 2.2161 3.0967 3.0967 3.4905 3.4905 3.7573 3.7573 4.1304 4.1304 7.8795 7.8795 9.4818 9.4818 10.4313 10.4313 10.8880 10.8880 k = 0.0000 0.0000 0.0636 ( 4547 PWs) bands (ev): -7.3819 -7.3819 -6.5052 -6.5052 -2.3080 -2.3080 -1.7763 -1.7763 -1.6548 -1.6548 -1.5981 -1.5981 -0.4443 -0.4443 -0.1382 -0.1382 0.1773 0.1773 0.3142 0.3142 0.3361 0.3361 0.3616 0.3616 1.5202 1.5202 2.0868 2.0868 2.2147 2.2147 3.1083 3.1083 3.5026 3.5026 3.7713 3.7713 4.1437 4.1437 7.8804 7.8804 9.4451 9.4451 10.3763 10.3763 10.8957 10.8957 k = 0.0000 0.0000 0.0847 ( 4541 PWs) bands (ev): -7.3791 -7.3791 -6.5061 -6.5061 -2.3077 -2.3077 -1.7772 -1.7772 -1.6551 -1.6551 -1.5983 -1.5983 -0.4447 -0.4447 -0.1390 -0.1390 0.1757 0.1757 0.3129 0.3129 0.3361 0.3361 0.3601 0.3601 1.5113 1.5113 2.0608 2.0608 2.2106 2.2106 3.1230 3.1230 3.5168 3.5168 3.7916 3.7916 4.1628 4.1628 7.8817 7.8817 9.3948 9.3948 10.3103 10.3103 10.9063 10.9063 k = 0.0000 0.0000 0.1059 ( 4533 PWs) bands (ev): -7.3756 -7.3756 -6.5071 -6.5071 -2.3073 -2.3073 -1.7783 -1.7783 -1.6556 -1.6556 -1.5986 -1.5986 -0.4453 -0.4453 -0.1399 -0.1399 0.1737 0.1737 0.3111 0.3111 0.3360 0.3360 0.3584 0.3584 1.4996 1.4996 2.0329 2.0329 2.2041 2.2041 3.1392 3.1392 3.5315 3.5315 3.8185 3.8185 4.1880 4.1880 7.8835 7.8835 9.3322 9.3322 10.2391 10.2391 10.9197 10.9197 k = 0.0000 0.0000 0.1271 ( 4533 PWs) bands (ev): -7.3713 -7.3713 -6.5085 -6.5085 -2.3068 -2.3068 -1.7797 -1.7797 -1.6561 -1.6561 -1.5990 -1.5990 -0.4461 -0.4461 -0.1410 -0.1410 0.1712 0.1712 0.3088 0.3088 0.3357 0.3357 0.3569 0.3569 1.4847 1.4847 2.0047 2.0047 2.1960 2.1960 3.1553 3.1553 3.5452 3.5452 3.8519 3.8519 4.2193 4.2193 7.8859 7.8859 9.2590 9.2590 10.1670 10.1670 10.9354 10.9354 k = 0.0000 0.0000 0.1483 ( 4541 PWs) bands (ev): -7.3662 -7.3662 -6.5100 -6.5100 -2.3062 -2.3062 -1.7813 -1.7813 -1.6566 -1.6566 -1.5994 -1.5994 -0.4469 -0.4469 -0.1423 -0.1423 0.1682 0.1682 0.3058 0.3058 0.3353 0.3353 0.3555 0.3555 1.4668 1.4668 1.9771 1.9771 2.1876 2.1876 3.1699 3.1699 3.5571 3.5571 3.8914 3.8914 4.2564 4.2564 7.8888 7.8888 9.1773 9.1773 10.0969 10.0969 10.9530 10.9530 k = 0.0000 0.0000 0.1695 ( 4539 PWs) bands (ev): -7.3605 -7.3605 -6.5119 -6.5119 -2.3056 -2.3056 -1.7832 -1.7832 -1.6572 -1.6572 -1.5998 -1.5998 -0.4478 -0.4478 -0.1438 -0.1438 0.1649 0.1649 0.3022 0.3022 0.3348 0.3348 0.3546 0.3546 1.4459 1.4459 1.9508 1.9508 2.1798 2.1798 3.1817 3.1817 3.5666 3.5666 3.9366 3.9366 4.2985 4.2985 7.8925 7.8925 9.0896 9.0896 10.0305 10.0305 10.9715 10.9715 k = 0.0000 0.0000 0.1907 ( 4535 PWs) bands (ev): -7.3541 -7.3541 -6.5139 -6.5139 -2.3049 -2.3049 -1.7853 -1.7853 -1.6577 -1.6577 -1.6002 -1.6002 -0.4489 -0.4489 -0.1454 -0.1454 0.1612 0.1612 0.2979 0.2979 0.3342 0.3342 0.3542 0.3542 1.4223 1.4223 1.9264 1.9264 2.1736 2.1736 3.1899 3.1899 3.5736 3.5736 3.9868 3.9868 4.3442 4.3442 7.8969 7.8969 8.9986 8.9986 9.9687 9.9687 10.9892 10.9892 k = 0.0000 0.0000 0.2118 ( 4531 PWs) bands (ev): -7.3470 -7.3470 -6.5163 -6.5163 -2.3041 -2.3041 -1.7877 -1.7877 -1.6582 -1.6582 -1.6006 -1.6006 -0.4500 -0.4500 -0.1472 -0.1472 0.1572 0.1572 0.2929 0.2929 0.3338 0.3338 0.3542 0.3542 1.3964 1.3964 1.9038 1.9038 2.1697 2.1697 3.1942 3.1942 3.5780 3.5780 4.0414 4.0414 4.3918 4.3918 7.9023 7.9023 8.9073 8.9073 9.9117 9.9117 11.0027 11.0027 k = 0.0000 0.0000 0.2330 ( 4527 PWs) bands (ev): -7.3394 -7.3394 -6.5188 -6.5188 -2.3032 -2.3032 -1.7903 -1.7903 -1.6586 -1.6586 -1.6010 -1.6010 -0.4513 -0.4513 -0.1492 -0.1492 0.1529 0.1529 0.2873 0.2873 0.3334 0.3334 0.3546 0.3546 1.3689 1.3689 1.8831 1.8831 2.1686 2.1686 3.1946 3.1946 3.5796 3.5796 4.0994 4.0994 4.4394 4.4394 7.9086 7.9086 8.8185 8.8185 9.8598 9.8598 11.0056 11.0056 k = 0.0000 0.0000 0.2542 ( 4527 PWs) bands (ev): -7.3312 -7.3312 -6.5217 -6.5217 -2.3023 -2.3023 -1.7931 -1.7931 -1.6589 -1.6589 -1.6013 -1.6013 -0.4525 -0.4525 -0.1513 -0.1513 0.1484 0.1484 0.2813 0.2813 0.3333 0.3333 0.3553 0.3553 1.3403 1.3403 1.8644 1.8644 2.1704 2.1704 3.1912 3.1912 3.5786 3.5786 4.1600 4.1600 4.4848 4.4848 7.9160 7.9160 8.7353 8.7353 9.8126 9.8126 10.9895 10.9895 k = 0.0000 0.0000 0.2754 ( 4524 PWs) bands (ev): -7.3224 -7.3224 -6.5248 -6.5248 -2.3014 -2.3014 -1.7961 -1.7961 -1.6592 -1.6592 -1.6015 -1.6015 -0.4539 -0.4539 -0.1535 -0.1535 0.1438 0.1438 0.2751 0.2751 0.3335 0.3335 0.3563 0.3563 1.3113 1.3113 1.8476 1.8476 2.1751 2.1751 3.1845 3.1845 3.5752 3.5752 4.2220 4.2220 4.5260 4.5260 7.9245 7.9245 8.6603 8.6603 9.7700 9.7700 10.9504 10.9504 k = 0.0000 0.0000 0.2966 ( 4522 PWs) bands (ev): -7.3132 -7.3132 -6.5281 -6.5281 -2.3004 -2.3004 -1.7993 -1.7993 -1.6593 -1.6593 -1.6016 -1.6016 -0.4553 -0.4553 -0.1558 -0.1558 0.1391 0.1391 0.2686 0.2686 0.3339 0.3339 0.3576 0.3576 1.2826 1.2826 1.8326 1.8326 2.1827 2.1827 3.1749 3.1749 3.5694 3.5694 4.2841 4.2841 4.5610 4.5610 7.9340 7.9340 8.5961 8.5961 9.7319 9.7319 10.8913 10.8913 k = 0.0000 0.0000 0.3178 ( 4526 PWs) bands (ev): -7.3036 -7.3036 -6.5317 -6.5317 -2.2994 -2.2994 -1.8026 -1.8026 -1.6593 -1.6593 -1.6016 -1.6016 -0.4568 -0.4568 -0.1582 -0.1582 0.1346 0.1346 0.2621 0.2621 0.3346 0.3346 0.3590 0.3590 1.2544 1.2544 1.8196 1.8196 2.1929 2.1929 3.1627 3.1627 3.5615 3.5615 4.3447 4.3447 4.5883 4.5883 7.9443 7.9443 8.5451 8.5451 9.6981 9.6981 10.8178 10.8178 k = 0.0000 0.0000 0.3390 ( 4530 PWs) bands (ev): -7.2936 -7.2936 -6.5355 -6.5355 -2.2983 -2.2983 -1.8061 -1.8061 -1.6591 -1.6591 -1.6013 -1.6013 -0.4582 -0.4582 -0.1606 -0.1606 0.1302 0.1302 0.2557 0.2557 0.3355 0.3355 0.3607 0.3607 1.2274 1.2274 1.8085 1.8085 2.2053 2.2053 3.1485 3.1485 3.5518 3.5518 4.4016 4.4016 4.6073 4.6073 7.9551 7.9551 8.5093 8.5093 9.6684 9.6684 10.7343 10.7343 k = 0.0000 0.0000 0.3601 ( 4532 PWs) bands (ev): -7.2832 -7.2832 -6.5395 -6.5395 -2.2972 -2.2972 -1.8097 -1.8097 -1.6588 -1.6588 -1.6009 -1.6009 -0.4597 -0.4597 -0.1631 -0.1631 0.1261 0.1261 0.2495 0.2495 0.3366 0.3366 0.3626 0.3626 1.2018 1.2018 1.7995 1.7995 2.2198 2.2198 3.1324 3.1324 3.5403 3.5403 4.4513 4.4513 4.6193 4.6193 7.9661 7.9661 8.4905 8.4905 9.6428 9.6428 10.6448 10.6448 k = 0.0000 0.0000 0.3813 ( 4528 PWs) bands (ev): -7.2726 -7.2726 -6.5438 -6.5438 -2.2961 -2.2961 -1.8133 -1.8133 -1.6583 -1.6583 -1.6002 -1.6002 -0.4612 -0.4612 -0.1657 -0.1657 0.1224 0.1224 0.2435 0.2435 0.3380 0.3380 0.3648 0.3648 1.1778 1.1778 1.7925 1.7925 2.2360 2.2360 3.1149 3.1149 3.5272 3.5272 4.4867 4.4867 4.6294 4.6294 7.9768 7.9768 8.4895 8.4895 9.6211 9.6211 10.5529 10.5529 k = 0.0000 0.0000 0.4025 ( 4532 PWs) bands (ev): -7.2618 -7.2618 -6.5482 -6.5482 -2.2950 -2.2950 -1.8170 -1.8170 -1.6577 -1.6577 -1.5992 -1.5992 -0.4626 -0.4626 -0.1682 -0.1682 0.1192 0.1192 0.2379 0.2379 0.3395 0.3395 0.3671 0.3671 1.1557 1.1557 1.7877 1.7877 2.2534 2.2534 3.0962 3.0962 3.5128 3.5128 4.4971 4.4971 4.6470 4.6470 7.9867 7.9867 8.5068 8.5068 9.6033 9.6033 10.4621 10.4621 k = 0.0000 0.0000 0.4237 ( 4530 PWs) bands (ev): -7.2508 -7.2508 -6.5529 -6.5529 -2.2939 -2.2939 -1.8207 -1.8207 -1.6569 -1.6569 -1.5980 -1.5980 -0.4640 -0.4640 -0.1708 -0.1708 0.1166 0.1166 0.2326 0.2326 0.3413 0.3413 0.3697 0.3697 1.1356 1.1356 1.7850 1.7850 2.2720 2.2720 3.0766 3.0766 3.4971 3.4971 4.4795 4.4795 4.6746 4.6746 7.9954 7.9954 8.5419 8.5419 9.5894 9.5894 10.3755 10.3755 k = 0.0000 0.0000 0.4449 ( 4526 PWs) bands (ev): -7.2397 -7.2397 -6.5577 -6.5577 -2.2929 -2.2929 -1.8244 -1.8244 -1.6560 -1.6560 -1.5965 -1.5965 -0.4653 -0.4653 -0.1732 -0.1732 0.1147 0.1147 0.2278 0.2278 0.3432 0.3432 0.3725 0.3725 1.1175 1.1175 1.7847 1.7847 2.2912 2.2912 3.0562 3.0562 3.4804 3.4804 4.4405 4.4405 4.7053 4.7053 8.0026 8.0026 8.5936 8.5936 9.5794 9.5794 10.2961 10.2961 k = 0.0000 0.0000 0.4661 ( 4530 PWs) bands (ev): -7.2285 -7.2285 -6.5626 -6.5626 -2.2918 -2.2918 -1.8280 -1.8280 -1.6549 -1.6549 -1.5946 -1.5946 -0.4665 -0.4665 -0.1756 -0.1756 0.1135 0.1135 0.2234 0.2234 0.3453 0.3453 0.3755 0.3755 1.1016 1.1016 1.7867 1.7867 2.3108 2.3108 3.0353 3.0353 3.4627 3.4627 4.3863 4.3863 4.7334 4.7334 8.0075 8.0075 8.6603 8.6603 9.5735 9.5735 10.2262 10.2262 k = 0.0000 0.0000 0.4873 ( 4540 PWs) bands (ev): -7.2174 -7.2174 -6.5677 -6.5677 -2.2908 -2.2908 -1.8316 -1.8316 -1.6537 -1.6537 -1.5924 -1.5924 -0.4675 -0.4675 -0.1780 -0.1780 0.1131 0.1131 0.2195 0.2195 0.3475 0.3475 0.3788 0.3788 1.0879 1.0879 1.7910 1.7910 2.3304 2.3304 3.0141 3.0141 3.4442 3.4442 4.3205 4.3205 4.7562 4.7562 8.0096 8.0096 8.7400 8.7400 9.5719 9.5719 10.1681 10.1681 k = 0.0000 0.0000 0.5084 ( 4538 PWs) bands (ev): -7.2063 -7.2063 -6.5729 -6.5729 -2.2898 -2.2898 -1.8351 -1.8351 -1.6524 -1.6524 -1.5899 -1.5899 -0.4685 -0.4685 -0.1802 -0.1802 0.1135 0.1135 0.2162 0.2162 0.3498 0.3498 0.3823 0.3823 1.0763 1.0763 1.7977 1.7977 2.3498 2.3498 2.9926 2.9926 3.4249 3.4249 4.2458 4.2458 4.7720 4.7720 8.0082 8.0082 8.8304 8.8304 9.5751 9.5751 10.1232 10.1232 k = 0.0000 0.0000 0.5296 ( 4534 PWs) bands (ev): -7.1953 -7.1953 -6.5782 -6.5782 -2.2889 -2.2889 -1.8384 -1.8384 -1.6510 -1.6510 -1.5871 -1.5871 -0.4693 -0.4693 -0.1823 -0.1823 0.1147 0.1147 0.2135 0.2135 0.3522 0.3522 0.3861 0.3861 1.0670 1.0670 1.8069 1.8069 2.3685 2.3685 2.9711 2.9711 3.4049 3.4049 4.1643 4.1643 4.7803 4.7803 8.0027 8.0027 8.9284 8.9284 9.5842 9.5842 10.0924 10.0924 k = 0.0000 0.0000 0.5508 ( 4526 PWs) bands (ev): -7.1845 -7.1845 -6.5835 -6.5835 -2.2880 -2.2880 -1.8416 -1.8416 -1.6494 -1.6494 -1.5839 -1.5839 -0.4699 -0.4699 -0.1842 -0.1842 0.1165 0.1165 0.2115 0.2115 0.3547 0.3547 0.3900 0.3900 1.0599 1.0599 1.8184 1.8184 2.3862 2.3862 2.9495 2.9495 3.3842 3.3842 4.0781 4.0781 4.7804 4.7804 7.9928 7.9928 9.0306 9.0306 9.6006 9.6006 10.0761 10.0761 k = 0.0000 0.0000 0.5720 ( 4530 PWs) bands (ev): -7.1739 -7.1739 -6.5889 -6.5889 -2.2871 -2.2871 -1.8447 -1.8447 -1.6478 -1.6478 -1.5805 -1.5805 -0.4703 -0.4703 -0.1860 -0.1860 0.1190 0.1190 0.2102 0.2102 0.3572 0.3572 0.3942 0.3942 1.0550 1.0550 1.8323 1.8323 2.4026 2.4026 2.9280 2.9280 3.3629 3.3629 3.9891 3.9891 4.7725 4.7725 7.9784 7.9784 9.1319 9.1319 9.6274 9.6274 10.0736 10.0736 k = 0.0000 0.0000 0.5932 ( 4536 PWs) bands (ev): -7.1636 -7.1636 -6.5942 -6.5942 -2.2863 -2.2863 -1.8476 -1.8476 -1.6460 -1.6460 -1.5768 -1.5768 -0.4705 -0.4705 -0.1875 -0.1875 0.1220 0.1220 0.2097 0.2097 0.3598 0.3598 0.3984 0.3984 1.0524 1.0524 1.8485 1.8485 2.4171 2.4171 2.9064 2.9064 3.3408 3.3408 3.8993 3.8993 4.7565 4.7565 7.9601 7.9601 9.2258 9.2258 9.6692 9.6692 10.0835 10.0835 k = 0.0000 0.0000 0.6144 ( 4536 PWs) bands (ev): -7.1535 -7.1535 -6.5995 -6.5995 -2.2856 -2.2856 -1.8504 -1.8504 -1.6443 -1.6443 -1.5728 -1.5728 -0.4705 -0.4705 -0.1889 -0.1889 0.1252 0.1252 0.2101 0.2101 0.3624 0.3624 0.4028 0.4028 1.0522 1.0522 1.8669 1.8669 2.4294 2.4294 2.8847 2.8847 3.3180 3.3180 3.8105 3.8105 4.7329 4.7329 7.9382 7.9382 9.3049 9.3049 9.7309 9.7309 10.1036 10.1036 k = 0.0000 0.0000 0.6355 ( 4540 PWs) bands (ev): -7.1439 -7.1439 -6.6047 -6.6047 -2.2849 -2.2849 -1.8529 -1.8529 -1.6424 -1.6424 -1.5686 -1.5686 -0.4703 -0.4703 -0.1901 -0.1901 0.1286 0.1286 0.2115 0.2115 0.3650 0.3650 0.4073 0.4073 1.0543 1.0543 1.8873 1.8873 2.4389 2.4389 2.8626 2.8626 3.2941 3.2941 3.7250 3.7250 4.7020 4.7020 7.9138 7.9138 9.3653 9.3653 9.8139 9.8139 10.1318 10.1318 k = 0.0000 0.0000 0.6567 ( 4534 PWs) bands (ev): -7.1346 -7.1346 -6.6098 -6.6098 -2.2843 -2.2843 -1.8553 -1.8553 -1.6406 -1.6406 -1.5643 -1.5643 -0.4699 -0.4699 -0.1911 -0.1911 0.1320 0.1320 0.2140 0.2140 0.3677 0.3677 0.4118 0.4118 1.0588 1.0588 1.9095 1.9095 2.4452 2.4452 2.8400 2.8400 3.2692 3.2692 3.6447 3.6447 4.6646 4.6646 7.8876 7.8876 9.4089 9.4089 9.9125 9.9125 10.1670 10.1670 k = 0.0000 0.0000 0.6779 ( 4526 PWs) bands (ev): -7.1257 -7.1257 -6.6148 -6.6148 -2.2837 -2.2837 -1.8575 -1.8575 -1.6388 -1.6388 -1.5599 -1.5599 -0.4694 -0.4694 -0.1919 -0.1919 0.1350 0.1350 0.2176 0.2176 0.3703 0.3703 0.4162 0.4162 1.0659 1.0659 1.9331 1.9331 2.4477 2.4477 2.8163 2.8163 3.2431 3.2431 3.5718 3.5718 4.6213 4.6213 7.8606 7.8606 9.4404 9.4404 10.0146 10.0146 10.2113 10.2113 k = 0.0000 0.0000 0.6991 ( 4522 PWs) bands (ev): -7.1173 -7.1173 -6.6195 -6.6195 -2.2832 -2.2832 -1.8596 -1.8596 -1.6369 -1.6369 -1.5554 -1.5554 -0.4687 -0.4687 -0.1925 -0.1925 0.1377 0.1377 0.2223 0.2223 0.3730 0.3730 0.4206 0.4206 1.0756 1.0756 1.9575 1.9575 2.4459 2.4459 2.7915 2.7915 3.2160 3.2160 3.5079 3.5079 4.5731 4.5731 7.8335 7.8335 9.4645 9.4645 10.1018 10.1018 10.2748 10.2748 k = 0.0000 0.0000 0.7203 ( 4524 PWs) bands (ev): -7.1095 -7.1095 -6.6241 -6.6241 -2.2827 -2.2827 -1.8614 -1.8614 -1.6351 -1.6351 -1.5509 -1.5509 -0.4679 -0.4679 -0.1929 -0.1929 0.1400 0.1400 0.2280 0.2280 0.3757 0.3757 0.4248 0.4248 1.0879 1.0879 1.9819 1.9819 2.4395 2.4395 2.7654 2.7654 3.1888 3.1888 3.4539 3.4539 4.5210 4.5210 7.8071 7.8071 9.4838 9.4838 10.1601 10.1601 10.3649 10.3649 k = 0.0000 0.0000 0.7415 ( 4526 PWs) bands (ev): -7.1021 -7.1021 -6.6285 -6.6285 -2.2823 -2.2823 -1.8631 -1.8631 -1.6334 -1.6334 -1.5465 -1.5465 -0.4670 -0.4670 -0.1932 -0.1932 0.1418 0.1418 0.2344 0.2344 0.3783 0.3783 0.4289 0.4289 1.1030 1.1030 2.0050 2.0050 2.4285 2.4285 2.7387 2.7387 3.1628 3.1628 3.4098 3.4098 4.4660 4.4660 7.7817 7.7817 9.5000 9.5000 10.1971 10.1971 10.4693 10.4693 k = 0.0000 0.0000 0.7627 ( 4526 PWs) bands (ev): -7.0953 -7.0953 -6.6326 -6.6326 -2.2819 -2.2819 -1.8647 -1.8647 -1.6318 -1.6318 -1.5422 -1.5422 -0.4660 -0.4660 -0.1933 -0.1933 0.1432 0.1432 0.2414 0.2414 0.3809 0.3809 0.4327 0.4327 1.1209 1.1209 2.0248 2.0248 2.4136 2.4136 2.7123 2.7123 3.1392 3.1392 3.3744 3.3744 4.4091 4.4091 7.7580 7.7580 9.5141 9.5141 10.2241 10.2241 10.5719 10.5719 k = 0.0000 0.0000 0.7838 ( 4518 PWs) bands (ev): -7.0891 -7.0891 -6.6363 -6.6363 -2.2816 -2.2816 -1.8660 -1.8660 -1.6302 -1.6302 -1.5381 -1.5381 -0.4651 -0.4651 -0.1933 -0.1933 0.1442 0.1442 0.2487 0.2487 0.3834 0.3834 0.4363 0.4363 1.1415 1.1415 2.0387 2.0387 2.3973 2.3973 2.6874 2.6874 3.1193 3.1193 3.3463 3.3463 4.3517 4.3517 7.7361 7.7361 9.5266 9.5266 10.2466 10.2466 10.6617 10.6617 k = 0.0000 0.0000 0.8050 ( 4526 PWs) bands (ev): -7.0835 -7.0835 -6.6398 -6.6398 -2.2813 -2.2813 -1.8672 -1.8672 -1.6288 -1.6288 -1.5343 -1.5343 -0.4641 -0.4641 -0.1932 -0.1932 0.1450 0.1450 0.2560 0.2560 0.3858 0.3858 0.4396 0.4396 1.1648 1.1648 2.0430 2.0430 2.3833 2.3833 2.6648 2.6648 3.1032 3.1032 3.3240 3.3240 4.2949 4.2949 7.7162 7.7162 9.5377 9.5377 10.2675 10.2675 10.7307 10.7307 k = 0.0000 0.0000 0.8262 ( 4526 PWs) bands (ev): -7.0785 -7.0785 -6.6429 -6.6429 -2.2811 -2.2811 -1.8683 -1.8683 -1.6275 -1.6275 -1.5307 -1.5307 -0.4632 -0.4632 -0.1931 -0.1931 0.1455 0.1455 0.2630 0.2630 0.3882 0.3882 0.4425 0.4425 1.1906 1.1906 2.0347 2.0347 2.3760 2.3760 2.6450 2.6450 3.0909 3.0909 3.3063 3.3063 4.2400 4.2400 7.6986 7.6986 9.5475 9.5475 10.2878 10.2878 10.7736 10.7736 k = 0.0000 0.0000 0.8474 ( 4526 PWs) bands (ev): -7.0742 -7.0742 -6.6457 -6.6457 -2.2809 -2.2809 -1.8691 -1.8691 -1.6263 -1.6263 -1.5275 -1.5275 -0.4624 -0.4624 -0.1928 -0.1928 0.1459 0.1459 0.2695 0.2695 0.3903 0.3903 0.4451 0.4451 1.2184 1.2184 2.0131 2.0131 2.3777 2.3777 2.6278 2.6278 3.0818 3.0818 3.2923 3.2923 4.1884 4.1884 7.6832 7.6832 9.5561 9.5561 10.3084 10.3084 10.7906 10.7906 k = 0.0000 0.0000 0.8686 ( 4522 PWs) bands (ev): -7.0705 -7.0705 -6.6480 -6.6480 -2.2807 -2.2807 -1.8699 -1.8699 -1.6253 -1.6253 -1.5248 -1.5248 -0.4616 -0.4616 -0.1926 -0.1926 0.1462 0.1462 0.2753 0.2753 0.3923 0.3923 0.4474 0.4474 1.2475 1.2475 1.9812 1.9812 2.3874 2.3874 2.6128 2.6128 3.0751 3.0751 3.2813 3.2813 4.1414 4.1414 7.6702 7.6702 9.5634 9.5634 10.3294 10.3294 10.7874 10.7874 k = 0.0000 0.0000 0.8898 ( 4526 PWs) bands (ev): -7.0674 -7.0674 -6.6500 -6.6500 -2.2805 -2.2805 -1.8705 -1.8705 -1.6244 -1.6244 -1.5224 -1.5224 -0.4610 -0.4610 -0.1924 -0.1924 0.1463 0.1463 0.2803 0.2803 0.3939 0.3939 0.4492 0.4492 1.2766 1.2766 1.9441 1.9441 2.4019 2.4019 2.5996 2.5996 3.0704 3.0704 3.2729 3.2729 4.1005 4.1005 7.6596 7.6596 9.5695 9.5695 10.3502 10.3502 10.7716 10.7716 k = 0.0000 0.0000 0.9109 ( 4530 PWs) bands (ev): -7.0651 -7.0651 -6.6515 -6.6515 -2.2804 -2.2804 -1.8710 -1.8710 -1.6238 -1.6238 -1.5206 -1.5206 -0.4604 -0.4604 -0.1922 -0.1922 0.1465 0.1465 0.2842 0.2842 0.3953 0.3953 0.4506 0.4506 1.3041 1.3041 1.9071 1.9071 2.4180 2.4180 2.5881 2.5881 3.0673 3.0673 3.2667 3.2667 4.0669 4.0669 7.6513 7.6513 9.5742 9.5742 10.3701 10.3701 10.7505 10.7505 k = 0.0000 0.0000 0.9321 ( 4530 PWs) bands (ev): -7.0634 -7.0634 -6.6526 -6.6526 -2.2804 -2.2804 -1.8713 -1.8713 -1.6233 -1.6233 -1.5192 -1.5192 -0.4601 -0.4601 -0.1920 -0.1920 0.1465 0.1465 0.2871 0.2871 0.3963 0.3963 0.4517 0.4517 1.3274 1.3274 1.8753 1.8753 2.4326 2.4326 2.5787 2.5787 3.0652 3.0652 3.2625 3.2625 4.0420 4.0420 7.6454 7.6454 9.5777 9.5777 10.3871 10.3871 10.7299 10.7299 k = 0.0000 0.0000 0.9533 ( 4530 PWs) bands (ev): -7.0623 -7.0623 -6.6533 -6.6533 -2.2803 -2.2803 -1.8715 -1.8715 -1.6230 -1.6230 -1.5184 -1.5184 -0.4598 -0.4598 -0.1919 -0.1919 0.1466 0.1466 0.2889 0.2889 0.3970 0.3970 0.4523 0.4523 1.3434 1.3434 1.8537 1.8537 2.4430 2.4430 2.5721 2.5721 3.0641 3.0641 3.2600 3.2600 4.0266 4.0266 7.6418 7.6418 9.5797 9.5797 10.3991 10.3991 10.7150 10.7150 k = 0.0000 0.0000 0.9745 ( 4546 PWs) bands (ev): -7.0620 -7.0620 -6.6535 -6.6535 -2.2803 -2.2803 -1.8716 -1.8716 -1.6229 -1.6229 -1.5181 -1.5181 -0.4598 -0.4598 -0.1919 -0.1919 0.1466 0.1466 0.2895 0.2895 0.3972 0.3972 0.4525 0.4525 1.3492 1.3492 1.8459 1.8459 2.4468 2.4468 2.5697 2.5697 3.0637 3.0637 3.2592 3.2592 4.0213 4.0213 7.6407 7.6407 9.5804 9.5804 10.4034 10.4034 10.7095 10.7095 k = 0.0000 0.0000 0.9745 ( 4546 PWs) bands (ev): -7.0620 -7.0620 -6.6535 -6.6535 -2.2803 -2.2803 -1.8716 -1.8716 -1.6229 -1.6229 -1.5181 -1.5181 -0.4598 -0.4598 -0.1919 -0.1919 0.1466 0.1466 0.2895 0.2895 0.3972 0.3972 0.4525 0.4525 1.3492 1.3492 1.8459 1.8459 2.4468 2.4468 2.5697 2.5697 3.0637 3.0637 3.2592 3.2592 4.0213 4.0213 7.6407 7.6407 9.5804 9.5804 10.4034 10.4034 10.7095 10.7095 k =-0.0099 0.0166 0.9745 ( 4534 PWs) bands (ev): -7.0618 -7.0618 -6.6538 -6.6538 -2.2803 -2.2803 -1.8716 -1.8716 -1.6231 -1.6231 -1.5183 -1.5183 -0.4598 -0.4598 -0.1919 -0.1919 0.1463 0.1463 0.2892 0.2892 0.3966 0.3966 0.4525 0.4525 1.3463 1.3463 1.8469 1.8469 2.4313 2.4313 2.5883 2.5883 3.0577 3.0577 3.2714 3.2714 4.0220 4.0220 7.6406 7.6406 9.5716 9.5716 10.4053 10.4053 10.7101 10.7101 k =-0.0199 0.0332 0.9745 ( 4534 PWs) bands (ev): -7.0613 -7.0613 -6.6547 -6.6547 -2.2802 -2.2802 -1.8717 -1.8717 -1.6236 -1.6236 -1.5188 -1.5188 -0.4600 -0.4600 -0.1918 -0.1918 0.1453 0.1453 0.2882 0.2882 0.3950 0.3950 0.4525 0.4525 1.3378 1.3378 1.8496 1.8496 2.3992 2.3992 2.6293 2.6293 3.0437 3.0437 3.3041 3.3041 4.0238 4.0238 7.6406 7.6406 9.5456 9.5456 10.4106 10.4106 10.7119 10.7119 k =-0.0298 0.0498 0.9745 ( 4534 PWs) bands (ev): -7.0605 -7.0605 -6.6562 -6.6562 -2.2800 -2.2800 -1.8718 -1.8718 -1.6244 -1.6244 -1.5196 -1.5196 -0.4603 -0.4603 -0.1916 -0.1916 0.1438 0.1438 0.2867 0.2867 0.3923 0.3923 0.4524 0.4524 1.3242 1.3242 1.8540 1.8540 2.3640 2.3640 2.6789 2.6789 3.0282 3.0282 3.3509 3.3509 4.0269 4.0269 7.6404 7.6404 9.5043 9.5043 10.4177 10.4177 10.7149 10.7149 k =-0.0397 0.0664 0.9745 ( 4528 PWs) bands (ev): -7.0594 -7.0594 -6.6583 -6.6583 -2.2798 -2.2798 -1.8721 -1.8721 -1.6255 -1.6255 -1.5207 -1.5207 -0.4607 -0.4607 -0.1914 -0.1914 0.1416 0.1416 0.2845 0.2845 0.3887 0.3887 0.4523 0.4523 1.3060 1.3060 1.8600 1.8600 2.3297 2.3297 2.7315 2.7315 3.0160 3.0160 3.4074 3.4074 4.0312 4.0312 7.6403 7.6403 9.4498 9.4498 10.4249 10.4249 10.7190 10.7190 k =-0.0496 0.0830 0.9745 ( 4536 PWs) bands (ev): -7.0580 -7.0580 -6.6610 -6.6610 -2.2796 -2.2796 -1.8723 -1.8723 -1.6270 -1.6270 -1.5221 -1.5221 -0.4613 -0.4613 -0.1911 -0.1911 0.1387 0.1387 0.2818 0.2818 0.3843 0.3843 0.4521 0.4521 1.2839 1.2839 1.8672 1.8672 2.2979 2.2979 2.7834 2.7834 3.0111 3.0111 3.4713 3.4713 4.0368 4.0368 7.6403 7.6403 9.3844 9.3844 10.4303 10.4303 10.7240 10.7240 k =-0.0596 0.0996 0.9745 ( 4520 PWs) bands (ev): -7.0562 -7.0562 -6.6642 -6.6642 -2.2792 -2.2792 -1.8727 -1.8727 -1.6287 -1.6287 -1.5237 -1.5237 -0.4619 -0.4619 -0.1907 -0.1907 0.1353 0.1353 0.2786 0.2786 0.3791 0.3791 0.4519 0.4519 1.2588 1.2588 1.8755 1.8755 2.2690 2.2690 2.8295 2.8295 3.0184 3.0184 3.5410 3.5410 4.0436 4.0436 7.6403 7.6403 9.3104 9.3104 10.4324 10.4324 10.7299 10.7299 k =-0.0695 0.1162 0.9745 ( 4512 PWs) bands (ev): -7.0542 -7.0542 -6.6680 -6.6680 -2.2789 -2.2789 -1.8731 -1.8731 -1.6306 -1.6306 -1.5257 -1.5257 -0.4626 -0.4626 -0.1903 -0.1903 0.1312 0.1312 0.2748 0.2748 0.3732 0.3732 0.4515 0.4515 1.2316 1.2316 1.8846 1.8846 2.2432 2.2432 2.8634 2.8634 3.0437 3.0437 3.6156 3.6156 4.0519 4.0519 7.6405 7.6405 9.2298 9.2298 10.4302 10.4302 10.7364 10.7364 k =-0.0794 0.1328 0.9745 ( 4520 PWs) bands (ev): -7.0519 -7.0519 -6.6724 -6.6724 -2.2784 -2.2784 -1.8735 -1.8735 -1.6328 -1.6328 -1.5279 -1.5279 -0.4634 -0.4634 -0.1899 -0.1899 0.1265 0.1265 0.2705 0.2705 0.3669 0.3669 0.4510 0.4510 1.2029 1.2029 1.8943 1.8943 2.2208 2.2208 2.8834 2.8834 3.0883 3.0883 3.6941 3.6941 4.0615 4.0615 7.6409 7.6409 9.1442 9.1442 10.4229 10.4229 10.7434 10.7434 k =-0.0893 0.1494 0.9745 ( 4512 PWs) bands (ev): -7.0493 -7.0493 -6.6773 -6.6773 -2.2780 -2.2780 -1.8741 -1.8741 -1.6352 -1.6352 -1.5303 -1.5303 -0.4642 -0.4642 -0.1894 -0.1894 0.1212 0.1212 0.2659 0.2659 0.3603 0.3603 0.4505 0.4505 1.1734 1.1734 1.9043 1.9043 2.2018 2.2018 2.8946 2.8946 3.1465 3.1465 3.7755 3.7755 4.0728 4.0728 7.6416 7.6416 9.0554 9.0554 10.4102 10.4102 10.7507 10.7507 k =-0.0893 0.1494 0.9745 ( 4512 PWs) bands (ev): -7.0493 -7.0493 -6.6773 -6.6773 -2.2780 -2.2780 -1.8741 -1.8741 -1.6352 -1.6352 -1.5303 -1.5303 -0.4642 -0.4642 -0.1894 -0.1894 0.1212 0.1212 0.2659 0.2659 0.3603 0.3603 0.4505 0.4505 1.1734 1.1734 1.9043 1.9043 2.2018 2.2018 2.8946 2.8946 3.1465 3.1465 3.7755 3.7755 4.0728 4.0728 7.6416 7.6416 9.0554 9.0554 10.4102 10.4102 10.7507 10.7507 k =-0.0969 0.1622 0.9597 ( 4516 PWs) bands (ev): -7.0473 -7.0473 -6.6813 -6.6813 -2.2776 -2.2776 -1.8745 -1.8745 -1.6372 -1.6372 -1.5325 -1.5325 -0.4650 -0.4650 -0.1891 -0.1891 0.1168 0.1168 0.2618 0.2618 0.3550 0.3550 0.4500 0.4500 1.1489 1.1489 1.9144 1.9144 2.1896 2.1896 2.9006 2.9006 3.1965 3.1965 3.8393 3.8393 4.0854 4.0854 7.6430 7.6430 8.9855 8.9855 10.3945 10.3945 10.7585 10.7585 k =-0.1045 0.1749 0.9449 ( 4518 PWs) bands (ev): -7.0455 -7.0455 -6.6854 -6.6854 -2.2772 -2.2772 -1.8749 -1.8749 -1.6394 -1.6394 -1.5350 -1.5350 -0.4658 -0.4658 -0.1888 -0.1888 0.1120 0.1120 0.2570 0.2570 0.3496 0.3496 0.4492 0.4492 1.1211 1.1211 1.9278 1.9278 2.1803 2.1803 2.9061 2.9061 3.2488 3.2488 3.9036 3.9036 4.1048 4.1048 7.6460 7.6460 8.9141 8.9141 10.3718 10.3718 10.7695 10.7695 k =-0.1121 0.1876 0.9300 ( 4520 PWs) bands (ev): -7.0439 -7.0439 -6.6895 -6.6895 -2.2768 -2.2768 -1.8752 -1.8752 -1.6417 -1.6417 -1.5378 -1.5378 -0.4668 -0.4668 -0.1885 -0.1885 0.1069 0.1069 0.2516 0.2516 0.3441 0.3441 0.4481 0.4481 1.0911 1.0911 1.9421 1.9421 2.1757 2.1757 2.9121 2.9121 3.3024 3.3024 3.9673 3.9673 4.1317 4.1317 7.6505 7.6505 8.8417 8.8417 10.3430 10.3430 10.7812 10.7812 k =-0.1197 0.2003 0.9152 ( 4522 PWs) bands (ev): -7.0425 -7.0425 -6.6937 -6.6937 -2.2764 -2.2764 -1.8756 -1.8756 -1.6441 -1.6441 -1.5409 -1.5409 -0.4678 -0.4678 -0.1883 -0.1883 0.1014 0.1014 0.2457 0.2457 0.3386 0.3386 0.4469 0.4469 1.0595 1.0595 1.9540 1.9540 2.1782 2.1782 2.9187 2.9187 3.3566 3.3566 4.0286 4.0286 4.1669 4.1669 7.6566 7.6566 8.7689 8.7689 10.3093 10.3093 10.7910 10.7910 k =-0.1274 0.2131 0.9004 ( 4520 PWs) bands (ev): -7.0412 -7.0412 -6.6979 -6.6979 -2.2760 -2.2760 -1.8759 -1.8759 -1.6466 -1.6466 -1.5442 -1.5442 -0.4690 -0.4690 -0.1881 -0.1881 0.0957 0.0957 0.2394 0.2394 0.3333 0.3333 0.4455 0.4455 1.0272 1.0272 1.9605 1.9605 2.1903 2.1903 2.9265 2.9265 3.4110 3.4110 4.0861 4.0861 4.2110 4.2110 7.6645 7.6645 8.6963 8.6963 10.2714 10.2714 10.7957 10.7957 k =-0.1350 0.2258 0.8856 ( 4520 PWs) bands (ev): -7.0400 -7.0400 -6.7020 -6.7020 -2.2756 -2.2756 -1.8762 -1.8762 -1.6492 -1.6492 -1.5478 -1.5478 -0.4703 -0.4703 -0.1880 -0.1880 0.0896 0.0896 0.2327 0.2327 0.3281 0.3281 0.4440 0.4440 0.9947 0.9947 1.9599 1.9599 2.2130 2.2130 2.9353 2.9353 3.4652 3.4652 4.1394 4.1394 4.2633 4.2633 7.6742 7.6742 8.6244 8.6244 10.2302 10.2302 10.7918 10.7918 k =-0.1426 0.2385 0.8707 ( 4517 PWs) bands (ev): -7.0390 -7.0390 -6.7061 -6.7061 -2.2752 -2.2752 -1.8765 -1.8765 -1.6519 -1.6519 -1.5515 -1.5515 -0.4718 -0.4718 -0.1878 -0.1878 0.0833 0.0833 0.2257 0.2257 0.3231 0.3231 0.4423 0.4423 0.9626 0.9626 1.9529 1.9529 2.2451 2.2451 2.9455 2.9455 3.5192 3.5192 4.1895 4.1895 4.3217 4.3217 7.6858 7.6858 8.5539 8.5539 10.1861 10.1861 10.7762 10.7762 k =-0.1502 0.2512 0.8559 ( 4519 PWs) bands (ev): -7.0382 -7.0382 -6.7102 -6.7102 -2.2747 -2.2747 -1.8768 -1.8768 -1.6546 -1.6546 -1.5554 -1.5554 -0.4733 -0.4733 -0.1878 -0.1878 0.0768 0.0768 0.2186 0.2186 0.3183 0.3183 0.4404 0.4404 0.9312 0.9312 1.9409 1.9409 2.2846 2.2846 2.9572 2.9572 3.5729 3.5729 4.2380 4.2380 4.3833 4.3833 7.6993 7.6993 8.4856 8.4856 10.1397 10.1397 10.7465 10.7465 k =-0.1578 0.2639 0.8411 ( 4514 PWs) bands (ev): -7.0374 -7.0374 -6.7142 -6.7142 -2.2743 -2.2743 -1.8771 -1.8771 -1.6573 -1.6573 -1.5594 -1.5594 -0.4750 -0.4750 -0.1877 -0.1877 0.0702 0.0702 0.2114 0.2114 0.3139 0.3139 0.4385 0.4385 0.9009 0.9009 1.9258 1.9258 2.3290 2.3290 2.9705 2.9705 3.6262 3.6262 4.2860 4.2860 4.4457 4.4457 7.7148 7.7148 8.4201 8.4201 10.0912 10.0912 10.7022 10.7022 k =-0.1654 0.2767 0.8263 ( 4513 PWs) bands (ev): -7.0368 -7.0368 -6.7181 -6.7181 -2.2739 -2.2739 -1.8774 -1.8774 -1.6601 -1.6601 -1.5635 -1.5635 -0.4768 -0.4768 -0.1877 -0.1877 0.0634 0.0634 0.2042 0.2042 0.3098 0.3098 0.4364 0.4364 0.8719 0.8719 1.9088 1.9088 2.3766 2.3766 2.9858 2.9858 3.6791 3.6791 4.3337 4.3337 4.5070 4.5070 7.7324 7.7324 8.3582 8.3582 10.0411 10.0411 10.6440 10.6440 k =-0.1730 0.2894 0.8115 ( 4519 PWs) bands (ev): -7.0363 -7.0363 -6.7220 -6.7220 -2.2735 -2.2735 -1.8776 -1.8776 -1.6628 -1.6628 -1.5675 -1.5675 -0.4787 -0.4787 -0.1877 -0.1877 0.0566 0.0566 0.1970 0.1970 0.3059 0.3059 0.4342 0.4342 0.8444 0.8444 1.8906 1.8906 2.4258 2.4258 3.0034 3.0034 3.7314 3.7314 4.3810 4.3810 4.5661 4.5661 7.7520 7.7520 8.3010 8.3010 9.9895 9.9895 10.5739 10.5739 k =-0.1806 0.3021 0.7966 ( 4523 PWs) bands (ev): -7.0359 -7.0359 -6.7257 -6.7257 -2.2731 -2.2731 -1.8778 -1.8778 -1.6654 -1.6654 -1.5716 -1.5716 -0.4807 -0.4807 -0.1878 -0.1878 0.0497 0.0497 0.1900 0.1900 0.3025 0.3025 0.4320 0.4320 0.8186 0.8186 1.8720 1.8720 2.4752 2.4752 3.0238 3.0238 3.7831 3.7831 4.4274 4.4274 4.6220 4.6220 7.7735 7.7735 8.2491 8.2491 9.9366 9.9366 10.4941 10.4941 k =-0.1882 0.3148 0.7818 ( 4527 PWs) bands (ev): -7.0356 -7.0356 -6.7292 -6.7292 -2.2727 -2.2727 -1.8780 -1.8780 -1.6680 -1.6680 -1.5756 -1.5756 -0.4828 -0.4828 -0.1878 -0.1878 0.0429 0.0429 0.1833 0.1833 0.2993 0.2993 0.4297 0.4297 0.7944 0.7944 1.8533 1.8533 2.5234 2.5234 3.0476 3.0476 3.8340 3.8340 4.4724 4.4724 4.6737 4.6737 7.7970 7.7970 8.2037 8.2037 9.8827 9.8827 10.4072 10.4072 k =-0.1958 0.3276 0.7670 ( 4529 PWs) bands (ev): -7.0353 -7.0353 -6.7327 -6.7327 -2.2724 -2.2724 -1.8782 -1.8782 -1.6705 -1.6705 -1.5795 -1.5795 -0.4849 -0.4849 -0.1879 -0.1879 0.0363 0.0363 0.1767 0.1767 0.2965 0.2965 0.4274 0.4274 0.7720 0.7720 1.8350 1.8350 2.5691 2.5691 3.0754 3.0754 3.8839 3.8839 4.5152 4.5152 4.7207 4.7207 7.8221 7.8221 8.1655 8.1655 9.8279 9.8279 10.3155 10.3155 k =-0.2034 0.3403 0.7522 ( 4529 PWs) bands (ev): -7.0351 -7.0351 -6.7359 -6.7359 -2.2720 -2.2720 -1.8784 -1.8784 -1.6729 -1.6729 -1.5833 -1.5833 -0.4871 -0.4871 -0.1880 -0.1880 0.0299 0.0299 0.1706 0.1706 0.2940 0.2940 0.4251 0.4251 0.7514 0.7514 1.8173 1.8173 2.6113 2.6113 3.1075 3.1075 3.9325 3.9325 4.5550 4.5550 4.7626 4.7626 7.8486 7.8486 8.1354 8.1354 9.7725 9.7725 10.2209 10.2209 k =-0.2110 0.3530 0.7373 ( 4533 PWs) bands (ev): -7.0350 -7.0350 -6.7389 -6.7389 -2.2717 -2.2717 -1.8786 -1.8786 -1.6751 -1.6751 -1.5869 -1.5869 -0.4893 -0.4893 -0.1880 -0.1880 0.0237 0.0237 0.1647 0.1647 0.2918 0.2918 0.4229 0.4229 0.7326 0.7326 1.8004 1.8004 2.6491 2.6491 3.1442 3.1442 3.9794 3.9794 4.5909 4.5909 4.7993 4.7993 7.8759 7.8759 8.1143 8.1143 9.7167 9.7167 10.1251 10.1251 k =-0.2186 0.3657 0.7225 ( 4528 PWs) bands (ev): -7.0349 -7.0349 -6.7418 -6.7418 -2.2714 -2.2714 -1.8788 -1.8788 -1.6773 -1.6773 -1.5904 -1.5904 -0.4914 -0.4914 -0.1881 -0.1881 0.0178 0.0178 0.1593 0.1593 0.2900 0.2900 0.4206 0.4206 0.7155 0.7155 1.7845 1.7845 2.6820 2.6820 3.1853 3.1853 4.0244 4.0244 4.6221 4.6221 4.8310 4.8310 7.9034 7.9034 8.1029 8.1029 9.6610 9.6610 10.0294 10.0294 k =-0.2262 0.3784 0.7077 ( 4522 PWs) bands (ev): -7.0349 -7.0349 -6.7444 -6.7444 -2.2711 -2.2711 -1.8789 -1.8789 -1.6792 -1.6792 -1.5935 -1.5935 -0.4935 -0.4935 -0.1881 -0.1881 0.0124 0.0124 0.1543 0.1543 0.2883 0.2883 0.4185 0.4185 0.7003 0.7003 1.7697 1.7697 2.7099 2.7099 3.2300 3.2300 4.0669 4.0669 4.6477 4.6477 4.8583 4.8583 7.9302 7.9302 8.1016 8.1016 9.6061 9.6061 9.9348 9.9348 k =-0.2338 0.3912 0.6929 ( 4516 PWs) bands (ev): -7.0349 -7.0349 -6.7467 -6.7467 -2.2708 -2.2708 -1.8791 -1.8791 -1.6810 -1.6810 -1.5965 -1.5965 -0.4956 -0.4956 -0.1881 -0.1881 0.0073 0.0073 0.1498 0.1498 0.2870 0.2870 0.4164 0.4164 0.6868 0.6868 1.7562 1.7562 2.7331 2.7331 3.2773 3.2773 4.1066 4.1066 4.6669 4.6669 4.8819 4.8819 7.9552 7.9552 8.1106 8.1106 9.5527 9.5527 9.8420 9.8420 k =-0.2414 0.4039 0.6781 ( 4522 PWs) bands (ev): -7.0349 -7.0349 -6.7489 -6.7489 -2.2706 -2.2706 -1.8792 -1.8792 -1.6826 -1.6826 -1.5991 -1.5991 -0.4975 -0.4975 -0.1882 -0.1882 0.0028 0.0028 0.1458 0.1458 0.2858 0.2858 0.4145 0.4145 0.6750 0.6750 1.7441 1.7441 2.7520 2.7520 3.3255 3.3255 4.1430 4.1430 4.6793 4.6793 4.9024 4.9024 7.9782 7.9782 8.1288 8.1288 9.5018 9.5018 9.7522 9.7522 k =-0.2490 0.4166 0.6632 ( 4520 PWs) bands (ev): -7.0349 -7.0349 -6.7507 -6.7507 -2.2704 -2.2704 -1.8793 -1.8793 -1.6841 -1.6841 -1.6015 -1.6015 -0.4992 -0.4992 -0.1882 -0.1882 -0.0013 -0.0013 0.1423 0.1423 0.2849 0.2849 0.4127 0.4127 0.6648 0.6648 1.7334 1.7334 2.7671 2.7671 3.3731 3.3731 4.1756 4.1756 4.6854 4.6854 4.9204 4.9204 7.9990 7.9990 8.1542 8.1542 9.4547 9.4547 9.6665 9.6665 k =-0.2566 0.4293 0.6484 ( 4520 PWs) bands (ev): -7.0350 -7.0350 -6.7523 -6.7523 -2.2702 -2.2702 -1.8794 -1.8794 -1.6853 -1.6853 -1.6035 -1.6035 -0.5007 -0.5007 -0.1882 -0.1882 -0.0047 -0.0047 0.1393 0.1393 0.2842 0.2842 0.4112 0.4112 0.6563 0.6563 1.7242 1.7242 2.7791 2.7791 3.4182 3.4182 4.2039 4.2039 4.6860 4.6860 4.9362 4.9362 8.0180 8.0180 8.1841 8.1841 9.4125 9.4125 9.5865 9.5865 k =-0.2642 0.4421 0.6336 ( 4524 PWs) bands (ev): -7.0350 -7.0350 -6.7536 -6.7536 -2.2700 -2.2700 -1.8795 -1.8795 -1.6863 -1.6863 -1.6051 -1.6051 -0.5020 -0.5020 -0.1882 -0.1882 -0.0076 -0.0076 0.1368 0.1368 0.2836 0.2836 0.4099 0.4099 0.6494 0.6494 1.7167 1.7167 2.7883 2.7883 3.4589 3.4589 4.2277 4.2277 4.6827 4.6827 4.9496 4.9496 8.0351 8.0351 8.2154 8.2154 9.3765 9.3765 9.5144 9.5144 k =-0.2718 0.4548 0.6188 ( 4527 PWs) bands (ev): -7.0351 -7.0351 -6.7547 -6.7547 -2.2699 -2.2699 -1.8795 -1.8795 -1.6871 -1.6871 -1.6065 -1.6065 -0.5031 -0.5031 -0.1882 -0.1882 -0.0098 -0.0098 0.1348 0.1348 0.2832 0.2832 0.4089 0.4089 0.6440 0.6440 1.7107 1.7107 2.7951 2.7951 3.4932 3.4932 4.2466 4.2466 4.6772 4.6772 4.9603 4.9603 8.0495 8.0495 8.2450 8.2450 9.3477 9.3477 9.4527 9.4527 k =-0.2795 0.4675 0.6039 ( 4527 PWs) bands (ev): -7.0351 -7.0351 -6.7554 -6.7554 -2.2698 -2.2698 -1.8796 -1.8796 -1.6877 -1.6877 -1.6074 -1.6074 -0.5038 -0.5038 -0.1882 -0.1882 -0.0115 -0.0115 0.1334 0.1334 0.2829 0.2829 0.4081 0.4081 0.6402 0.6402 1.7065 1.7065 2.7998 2.7998 3.5193 3.5193 4.2602 4.2602 4.6716 4.6716 4.9683 4.9683 8.0606 8.0606 8.2695 8.2695 9.3274 9.3274 9.4043 9.4043 k =-0.2871 0.4802 0.5891 ( 4523 PWs) bands (ev): -7.0351 -7.0351 -6.7558 -6.7558 -2.2698 -2.2698 -1.8796 -1.8796 -1.6880 -1.6880 -1.6080 -1.6080 -0.5043 -0.5043 -0.1882 -0.1882 -0.0125 -0.0125 0.1326 0.1326 0.2828 0.2828 0.4076 0.4076 0.6379 0.6379 1.7039 1.7039 2.8026 2.8026 3.5356 3.5356 4.2684 4.2684 4.6675 4.6675 4.9731 4.9731 8.0676 8.0676 8.2858 8.2858 9.3158 9.3158 9.3728 9.3728 k =-0.2947 0.4929 0.5743 ( 4522 PWs) bands (ev): -7.0351 -7.0351 -6.7560 -6.7560 -2.2698 -2.2698 -1.8796 -1.8796 -1.6881 -1.6881 -1.6082 -1.6082 -0.5045 -0.5045 -0.1882 -0.1882 -0.0128 -0.0128 0.1323 0.1323 0.2827 0.2827 0.4075 0.4075 0.6372 0.6372 1.7031 1.7031 2.8035 2.8035 3.5412 3.5412 4.2712 4.2712 4.6660 4.6660 4.9748 4.9748 8.0700 8.0700 8.2915 8.2915 9.3122 9.3122 9.3616 9.3616 k =-0.2947 0.4929 0.5743 ( 4522 PWs) bands (ev): -7.0351 -7.0351 -6.7560 -6.7560 -2.2698 -2.2698 -1.8796 -1.8796 -1.6881 -1.6881 -1.6082 -1.6082 -0.5045 -0.5045 -0.1882 -0.1882 -0.0128 -0.0128 0.1323 0.1323 0.2827 0.2827 0.4075 0.4075 0.6372 0.6372 1.7031 1.7031 2.8035 2.8035 3.5412 3.5412 4.2712 4.2712 4.6660 4.6660 4.9748 4.9748 8.0700 8.0700 8.2915 8.2915 9.3122 9.3122 9.3616 9.3616 k =-0.2869 0.4800 0.5592 ( 4510 PWs) bands (ev): -7.0441 -7.0441 -6.7429 -6.7429 -2.2705 -2.2705 -1.8771 -1.8771 -1.6881 -1.6881 -1.6091 -1.6091 -0.5057 -0.5057 -0.1879 -0.1879 -0.0112 -0.0112 0.1342 0.1342 0.2812 0.2812 0.4036 0.4036 0.6349 0.6349 1.6806 1.6806 2.7786 2.7786 3.5780 3.5780 4.2637 4.2637 4.7049 4.7049 4.9726 4.9726 8.0584 8.0584 8.2295 8.2295 9.2690 9.2690 9.3487 9.3487 k =-0.2792 0.4670 0.5441 ( 4510 PWs) bands (ev): -7.0535 -7.0535 -6.7299 -6.7299 -2.2713 -2.2713 -1.8745 -1.8745 -1.6879 -1.6879 -1.6100 -1.6100 -0.5064 -0.5064 -0.1876 -0.1876 -0.0093 -0.0093 0.1367 0.1367 0.2799 0.2799 0.3999 0.3999 0.6347 0.6347 1.6604 1.6604 2.7522 2.7522 3.6134 3.6134 4.2517 4.2517 4.7420 4.7420 4.9700 4.9700 8.0250 8.0250 8.1883 8.1883 9.2055 9.2055 9.3700 9.3700 k =-0.2714 0.4540 0.5290 ( 4514 PWs) bands (ev): -7.0634 -7.0634 -6.7170 -6.7170 -2.2722 -2.2722 -1.8717 -1.8717 -1.6877 -1.6877 -1.6108 -1.6108 -0.5064 -0.5064 -0.1872 -0.1872 -0.0069 -0.0069 0.1397 0.1397 0.2789 0.2789 0.3964 0.3964 0.6364 0.6364 1.6425 1.6425 2.7245 2.7245 3.6471 3.6471 4.2359 4.2359 4.7747 4.7747 4.9684 4.9684 7.9753 7.9753 8.1636 8.1636 9.1453 9.1453 9.4021 9.4021 k =-0.2636 0.4411 0.5139 ( 4510 PWs) bands (ev): -7.0737 -7.0737 -6.7044 -6.7044 -2.2732 -2.2732 -1.8689 -1.8689 -1.6873 -1.6873 -1.6114 -1.6114 -0.5059 -0.5059 -0.1868 -0.1868 -0.0039 -0.0039 0.1432 0.1432 0.2781 0.2781 0.3932 0.3932 0.6403 0.6403 1.6268 1.6268 2.6958 2.6958 3.6786 3.6786 4.2168 4.2168 4.7996 4.7996 4.9702 4.9702 7.9203 7.9203 8.1459 8.1459 9.0908 9.0908 9.4426 9.4426 k =-0.2559 0.4281 0.4987 ( 4530 PWs) bands (ev): -7.0844 -7.0844 -6.6919 -6.6919 -2.2743 -2.2743 -1.8658 -1.8658 -1.6868 -1.6868 -1.6120 -1.6120 -0.5049 -0.5049 -0.1864 -0.1864 -0.0004 -0.0004 0.1472 0.1472 0.2776 0.2776 0.3901 0.3901 0.6462 0.6462 1.6135 1.6135 2.6661 2.6661 3.7077 3.7077 4.1949 4.1949 4.8133 4.8133 4.9777 4.9777 7.8670 7.8670 8.1299 8.1299 9.0425 9.0425 9.4905 9.4905 k =-0.2481 0.4151 0.4836 ( 4534 PWs) bands (ev): -7.0955 -7.0955 -6.6798 -6.6798 -2.2754 -2.2754 -1.8627 -1.8627 -1.6863 -1.6863 -1.6124 -1.6124 -0.5035 -0.5035 -0.1858 -0.1858 0.0038 0.0038 0.1516 0.1516 0.2774 0.2774 0.3872 0.3872 0.6543 0.6543 1.6025 1.6025 2.6357 2.6357 3.7339 3.7339 4.1706 4.1706 4.8145 4.8145 4.9913 4.9913 7.8189 7.8189 8.1137 8.1137 9.0010 9.0010 9.5449 9.5449 k =-0.2404 0.4021 0.4685 ( 4532 PWs) bands (ev): -7.1070 -7.1070 -6.6679 -6.6679 -2.2766 -2.2766 -1.8594 -1.8594 -1.6856 -1.6856 -1.6127 -1.6127 -0.5016 -0.5016 -0.1852 -0.1852 0.0086 0.0086 0.1566 0.1566 0.2774 0.2774 0.3845 0.3845 0.6647 0.6647 1.5938 1.5938 2.6049 2.6049 3.7569 3.7569 4.1443 4.1443 4.8053 4.8053 5.0082 5.0082 7.7779 7.7779 8.0972 8.0972 8.9664 8.9664 9.6048 9.6048 k =-0.2326 0.3892 0.4534 ( 4536 PWs) bands (ev): -7.1187 -7.1187 -6.6564 -6.6564 -2.2778 -2.2778 -1.8560 -1.8560 -1.6848 -1.6848 -1.6129 -1.6129 -0.4994 -0.4994 -0.1844 -0.1844 0.0140 0.0140 0.1619 0.1619 0.2776 0.2776 0.3820 0.3820 0.6775 0.6775 1.5873 1.5873 2.5736 2.5736 3.7764 3.7764 4.1163 4.1163 4.7885 4.7885 5.0249 5.0249 7.7452 7.7452 8.0806 8.0806 8.9391 8.9391 9.6694 9.6694 k =-0.2249 0.3762 0.4383 ( 4536 PWs) bands (ev): -7.1307 -7.1307 -6.6452 -6.6452 -2.2791 -2.2791 -1.8525 -1.8525 -1.6839 -1.6839 -1.6130 -1.6130 -0.4969 -0.4969 -0.1835 -0.1835 0.0201 0.0201 0.1677 0.1677 0.2781 0.2781 0.3795 0.3795 0.6928 0.6928 1.5831 1.5831 2.5422 2.5422 3.7921 3.7921 4.0871 4.0871 4.7661 4.7661 5.0387 5.0387 7.7216 7.7216 8.0642 8.0642 8.9191 8.9191 9.7380 9.7380 k =-0.2171 0.3632 0.4232 ( 4536 PWs) bands (ev): -7.1430 -7.1430 -6.6344 -6.6344 -2.2805 -2.2805 -1.8489 -1.8489 -1.6830 -1.6830 -1.6130 -1.6130 -0.4942 -0.4942 -0.1824 -0.1824 0.0267 0.0267 0.1739 0.1739 0.2787 0.2787 0.3772 0.3772 0.7105 0.7105 1.5812 1.5812 2.5108 2.5108 3.8034 3.8034 4.0572 4.0572 4.7396 4.7396 5.0478 5.0478 7.7079 7.7079 8.0484 8.0484 8.9065 8.9065 9.8098 9.8098 k =-0.2094 0.3503 0.4081 ( 4528 PWs) bands (ev): -7.1554 -7.1554 -6.6240 -6.6240 -2.2819 -2.2819 -1.8453 -1.8453 -1.6819 -1.6819 -1.6128 -1.6128 -0.4914 -0.4914 -0.1812 -0.1812 0.0339 0.0339 0.1804 0.1804 0.2796 0.2796 0.3751 0.3751 0.7309 0.7309 1.5814 1.5814 2.4796 2.4796 3.8099 3.8099 4.0272 4.0272 4.7097 4.7097 5.0509 5.0509 7.7044 7.7044 8.0334 8.0334 8.9016 8.9016 9.8843 9.8843 k =-0.2016 0.3373 0.3929 ( 4516 PWs) bands (ev): -7.1679 -7.1679 -6.6141 -6.6141 -2.2833 -2.2833 -1.8416 -1.8416 -1.6808 -1.6808 -1.6126 -1.6126 -0.4884 -0.4884 -0.1799 -0.1799 0.0414 0.0414 0.1873 0.1873 0.2806 0.2806 0.3730 0.3730 0.7539 0.7539 1.5839 1.5839 2.4486 2.4486 3.8109 3.8109 3.9980 3.9980 4.6770 4.6770 5.0475 5.0475 7.7113 7.7113 8.0195 8.0195 8.9042 8.9042 9.9609 9.9609 k =-0.1939 0.3243 0.3778 ( 4508 PWs) bands (ev): -7.1805 -7.1805 -6.6046 -6.6046 -2.2847 -2.2847 -1.8378 -1.8378 -1.6796 -1.6796 -1.6123 -1.6123 -0.4854 -0.4854 -0.1784 -0.1784 0.0493 0.0493 0.1946 0.1946 0.2818 0.2818 0.3710 0.3710 0.7796 0.7796 1.5885 1.5885 2.4182 2.4182 3.8056 3.8056 3.9707 3.9707 4.6418 4.6418 5.0373 5.0373 7.7286 7.7286 8.0070 8.0070 8.9143 8.9143 10.0391 10.0391 k =-0.1861 0.3113 0.3627 ( 4506 PWs) bands (ev): -7.1932 -7.1932 -6.5956 -6.5956 -2.2862 -2.2862 -1.8340 -1.8340 -1.6783 -1.6783 -1.6118 -1.6118 -0.4824 -0.4824 -0.1767 -0.1767 0.0575 0.0575 0.2022 0.2022 0.2831 0.2831 0.3691 0.3691 0.8079 0.8079 1.5952 1.5952 2.3884 2.3884 3.7933 3.7933 3.9461 3.9461 4.6045 4.6045 5.0203 5.0203 7.7559 7.7559 7.9960 7.9960 8.9319 8.9319 10.1183 10.1183 k =-0.1783 0.2984 0.3476 ( 4510 PWs) bands (ev): -7.2059 -7.2059 -6.5870 -6.5870 -2.2876 -2.2876 -1.8302 -1.8302 -1.6770 -1.6770 -1.6113 -1.6113 -0.4795 -0.4795 -0.1749 -0.1749 0.0658 0.0658 0.2100 0.2100 0.2845 0.2845 0.3673 0.3673 0.8389 0.8389 1.6040 1.6040 2.3595 2.3595 3.7738 3.7738 3.9247 3.9247 4.5653 4.5653 4.9966 4.9966 7.7923 7.7923 7.9871 7.9871 8.9566 8.9566 10.1980 10.1980 k =-0.1706 0.2854 0.3325 ( 4516 PWs) bands (ev): -7.2185 -7.2185 -6.5790 -6.5790 -2.2891 -2.2891 -1.8264 -1.8264 -1.6757 -1.6757 -1.6107 -1.6107 -0.4766 -0.4766 -0.1730 -0.1730 0.0741 0.0741 0.2182 0.2182 0.2860 0.2860 0.3655 0.3655 0.8724 0.8724 1.6149 1.6149 2.3316 2.3316 3.7481 3.7481 3.9059 3.9059 4.5245 4.5245 4.9667 4.9667 7.8358 7.8358 7.9816 7.9816 8.9885 8.9885 10.2778 10.2778 k =-0.1628 0.2724 0.3174 ( 4518 PWs) bands (ev): -7.2309 -7.2309 -6.5713 -6.5713 -2.2906 -2.2906 -1.8227 -1.8227 -1.6743 -1.6743 -1.6100 -1.6100 -0.4738 -0.4738 -0.1710 -0.1710 0.0824 0.0824 0.2266 0.2266 0.2876 0.2876 0.3638 0.3638 0.9083 0.9083 1.6278 1.6278 2.3049 2.3049 3.7176 3.7176 3.8886 3.8886 4.4823 4.4823 4.9312 4.9312 7.8813 7.8813 7.9841 7.9841 9.0271 9.0271 10.3570 10.3570 k =-0.1551 0.2594 0.3023 ( 4522 PWs) bands (ev): -7.2432 -7.2432 -6.5642 -6.5642 -2.2920 -2.2920 -1.8189 -1.8189 -1.6729 -1.6729 -1.6093 -1.6093 -0.4710 -0.4710 -0.1689 -0.1689 0.0906 0.0906 0.2352 0.2352 0.2892 0.2892 0.3623 0.3623 0.9464 0.9464 1.6426 1.6426 2.2797 2.2797 3.6837 3.6837 3.8717 3.8717 4.4390 4.4390 4.8907 4.8907 7.9135 7.9135 8.0090 8.0090 9.0721 9.0721 10.4350 10.4350 k =-0.1473 0.2465 0.2872 ( 4511 PWs) bands (ev): -7.2553 -7.2553 -6.5576 -6.5576 -2.2934 -2.2934 -1.8152 -1.8152 -1.6715 -1.6715 -1.6086 -1.6086 -0.4684 -0.4684 -0.1667 -0.1667 0.0986 0.0986 0.2439 0.2439 0.2909 0.2909 0.3608 0.3608 0.9866 0.9866 1.6593 1.6593 2.2561 2.2561 3.6476 3.6476 3.8544 3.8544 4.3947 4.3947 4.8459 4.8459 7.9233 7.9233 8.0646 8.0646 9.1232 9.1232 10.5111 10.5111 k =-0.1396 0.2335 0.2720 ( 4513 PWs) bands (ev): -7.2671 -7.2671 -6.5514 -6.5514 -2.2948 -2.2948 -1.8116 -1.8116 -1.6700 -1.6700 -1.6078 -1.6078 -0.4659 -0.4659 -0.1644 -0.1644 0.1064 0.1064 0.2526 0.2526 0.2927 0.2927 0.3594 0.3594 1.0285 1.0285 1.6777 1.6777 2.2345 2.2345 3.6101 3.6101 3.8363 3.8363 4.3497 4.3497 4.7975 4.7975 7.9231 7.9231 8.1375 8.1375 9.1801 9.1801 10.5844 10.5844 k =-0.1318 0.2205 0.2569 ( 4515 PWs) bands (ev): -7.2786 -7.2786 -6.5456 -6.5456 -2.2961 -2.2961 -1.8081 -1.8081 -1.6686 -1.6686 -1.6070 -1.6070 -0.4636 -0.4636 -0.1621 -0.1621 0.1138 0.1138 0.2613 0.2613 0.2946 0.2946 0.3581 0.3581 1.0719 1.0719 1.6977 1.6977 2.2150 2.2150 3.5718 3.5718 3.8172 3.8172 4.3042 4.3042 4.7464 4.7464 7.9200 7.9200 8.2197 8.2197 9.2422 9.2422 10.6541 10.6541 k =-0.1241 0.2076 0.2418 ( 4515 PWs) bands (ev): -7.2897 -7.2897 -6.5403 -6.5403 -2.2974 -2.2974 -1.8047 -1.8047 -1.6672 -1.6672 -1.6061 -1.6061 -0.4613 -0.4613 -0.1599 -0.1599 0.1210 0.1210 0.2698 0.2698 0.2966 0.2966 0.3569 0.3569 1.1162 1.1162 1.7192 1.7192 2.1980 2.1980 3.5330 3.5330 3.7971 3.7971 4.2583 4.2583 4.6932 4.6932 7.9162 7.9162 8.3081 8.3081 9.3093 9.3093 10.7191 10.7191 k =-0.1163 0.1946 0.2267 ( 4517 PWs) bands (ev): -7.3003 -7.3003 -6.5355 -6.5355 -2.2987 -2.2987 -1.8014 -1.8014 -1.6659 -1.6659 -1.6053 -1.6053 -0.4592 -0.4592 -0.1576 -0.1576 0.1278 0.1278 0.2779 0.2779 0.2989 0.2989 0.3558 0.3558 1.1610 1.1610 1.7421 1.7421 2.1837 2.1837 3.4940 3.4940 3.7760 3.7760 4.2124 4.2124 4.6387 4.6387 7.9122 7.9122 8.4012 8.4012 9.3807 9.3807 10.7782 10.7782 k =-0.1086 0.1816 0.2116 ( 4531 PWs) bands (ev): -7.3106 -7.3106 -6.5311 -6.5311 -2.2999 -2.2999 -1.7983 -1.7983 -1.6646 -1.6646 -1.6045 -1.6045 -0.4572 -0.4572 -0.1554 -0.1554 0.1343 0.1343 0.2853 0.2853 0.3015 0.3015 0.3548 0.3548 1.2057 1.2057 1.7662 1.7662 2.1725 2.1725 3.4550 3.4550 3.7540 3.7540 4.1666 4.1666 4.5838 4.5838 7.9083 7.9083 8.4979 8.4979 9.4561 9.4561 10.8300 10.8300 k =-0.1008 0.1686 0.1965 ( 4527 PWs) bands (ev): -7.3203 -7.3203 -6.5270 -6.5270 -2.3010 -2.3010 -1.7953 -1.7953 -1.6633 -1.6633 -1.6037 -1.6037 -0.4554 -0.4554 -0.1532 -0.1532 0.1403 0.1403 0.2917 0.2917 0.3049 0.3049 0.3539 0.3539 1.2498 1.2498 1.7914 1.7914 2.1646 2.1646 3.4164 3.4164 3.7313 3.7313 4.1212 4.1212 4.5291 4.5291 7.9046 7.9046 8.5969 8.5969 9.5349 9.5349 10.8734 10.8734 k =-0.0931 0.1557 0.1814 ( 4531 PWs) bands (ev): -7.3294 -7.3294 -6.5234 -6.5234 -2.3020 -2.3020 -1.7925 -1.7925 -1.6621 -1.6621 -1.6029 -1.6029 -0.4536 -0.4536 -0.1511 -0.1511 0.1460 0.1460 0.2965 0.2965 0.3093 0.3093 0.3532 0.3532 1.2925 1.2925 1.8176 1.8176 2.1602 2.1602 3.3782 3.3782 3.7080 3.7080 4.0763 4.0763 4.4754 4.4754 7.9011 7.9011 8.6973 8.6973 9.6168 9.6168 10.9072 10.9072 k =-0.0853 0.1427 0.1662 ( 4539 PWs) bands (ev): -7.3380 -7.3380 -6.5201 -6.5201 -2.3030 -2.3030 -1.7898 -1.7898 -1.6609 -1.6609 -1.6021 -1.6021 -0.4521 -0.4521 -0.1491 -0.1491 0.1512 0.1512 0.3000 0.3000 0.3145 0.3145 0.3528 0.3528 1.3330 1.3330 1.8448 1.8448 2.1593 2.1593 3.3408 3.3408 3.6843 3.6843 4.0324 4.0324 4.4236 4.4236 7.8978 7.8978 8.7980 8.7980 9.7011 9.7011 10.9307 10.9307 k =-0.0775 0.1297 0.1511 ( 4543 PWs) bands (ev): -7.3460 -7.3460 -6.5172 -6.5172 -2.3039 -2.3039 -1.7874 -1.7874 -1.6598 -1.6598 -1.6014 -1.6014 -0.4506 -0.4506 -0.1472 -0.1472 0.1561 0.1561 0.3027 0.3027 0.3198 0.3198 0.3525 0.3525 1.3706 1.3706 1.8730 1.8730 2.1618 2.1618 3.3043 3.3043 3.6602 3.6602 3.9897 3.9897 4.3742 4.3742 7.8948 7.8948 8.8977 8.8977 9.7874 9.7874 10.9442 10.9442 k =-0.0698 0.1168 0.1360 ( 4547 PWs) bands (ev): -7.3533 -7.3533 -6.5146 -6.5146 -2.3047 -2.3047 -1.7851 -1.7851 -1.6588 -1.6588 -1.6008 -1.6008 -0.4493 -0.4493 -0.1454 -0.1454 0.1605 0.1605 0.3049 0.3049 0.3247 0.3247 0.3527 0.3527 1.4045 1.4045 1.9023 1.9023 2.1674 2.1674 3.2691 3.2691 3.6360 3.6360 3.9487 3.9487 4.3280 4.3280 7.8919 7.8919 8.9951 8.9951 9.8750 9.8750 10.9487 10.9487 k =-0.0620 0.1038 0.1209 ( 4539 PWs) bands (ev): -7.3599 -7.3599 -6.5123 -6.5123 -2.3055 -2.3055 -1.7831 -1.7831 -1.6579 -1.6579 -1.6002 -1.6002 -0.4481 -0.4481 -0.1438 -0.1438 0.1644 0.1644 0.3069 0.3069 0.3288 0.3288 0.3533 0.3533 1.4344 1.4344 1.9327 1.9327 2.1753 2.1753 3.2355 3.2355 3.6119 3.6119 3.9099 3.9099 4.2856 4.2856 7.8893 7.8893 9.0889 9.0889 9.9634 9.9634 10.9460 10.9460 k =-0.0543 0.0908 0.1058 ( 4535 PWs) bands (ev): -7.3658 -7.3658 -6.5103 -6.5103 -2.3062 -2.3062 -1.7813 -1.7813 -1.6571 -1.6571 -1.5996 -1.5996 -0.4471 -0.4471 -0.1423 -0.1423 0.1679 0.1679 0.3087 0.3087 0.3319 0.3319 0.3544 0.3544 1.4598 1.4598 1.9640 1.9640 2.1847 2.1847 3.2041 3.2041 3.5879 3.5879 3.8740 3.8740 4.2475 4.2475 7.8870 7.8870 9.1773 9.1773 10.0516 10.0516 10.9383 10.9383 k =-0.0465 0.0778 0.0907 ( 4543 PWs) bands (ev): -7.3710 -7.3710 -6.5086 -6.5086 -2.3067 -2.3067 -1.7797 -1.7797 -1.6563 -1.6563 -1.5991 -1.5991 -0.4462 -0.4462 -0.1410 -0.1410 0.1710 0.1710 0.3104 0.3104 0.3339 0.3339 0.3560 0.3560 1.4808 1.4808 1.9958 1.9958 2.1945 2.1945 3.1752 3.1752 3.5646 3.5646 3.8415 3.8415 4.2140 4.2140 7.8849 7.8849 9.2587 9.2587 10.1387 10.1387 10.9278 10.9278 k =-0.0388 0.0649 0.0756 ( 4539 PWs) bands (ev): -7.3754 -7.3754 -6.5072 -6.5072 -2.3072 -2.3072 -1.7783 -1.7783 -1.6557 -1.6557 -1.5987 -1.5987 -0.4454 -0.4454 -0.1399 -0.1399 0.1735 0.1735 0.3119 0.3119 0.3352 0.3352 0.3579 0.3579 1.4975 1.4975 2.0274 2.0274 2.2034 2.2034 3.1495 3.1495 3.5423 3.5423 3.8132 3.8132 4.1854 4.1854 7.8831 7.8831 9.3315 9.3315 10.2229 10.2229 10.9163 10.9163 k =-0.0310 0.0519 0.0605 ( 4545 PWs) bands (ev): -7.3790 -7.3790 -6.5061 -6.5061 -2.3077 -2.3077 -1.7772 -1.7772 -1.6552 -1.6552 -1.5983 -1.5983 -0.4448 -0.4448 -0.1390 -0.1390 0.1756 0.1756 0.3132 0.3132 0.3358 0.3358 0.3598 0.3598 1.5104 1.5104 2.0577 2.0577 2.2104 2.2104 3.1276 3.1276 3.5220 3.5220 3.7894 3.7894 4.1619 4.1619 7.8816 7.8816 9.3939 9.3939 10.3021 10.3021 10.9051 10.9051 k =-0.0233 0.0389 0.0453 ( 4545 PWs) bands (ev): -7.3818 -7.3818 -6.5052 -6.5052 -2.3080 -2.3080 -1.7763 -1.7763 -1.6548 -1.6548 -1.5981 -1.5981 -0.4443 -0.4443 -0.1383 -0.1383 0.1773 0.1773 0.3143 0.3143 0.3360 0.3360 0.3615 0.3615 1.5198 1.5198 2.0854 2.0854 2.2147 2.2147 3.1100 3.1100 3.5045 3.5045 3.7707 3.7707 4.1436 4.1436 7.8804 7.8804 9.4443 9.4443 10.3727 10.3727 10.8955 10.8955 k =-0.0155 0.0259 0.0302 ( 4557 PWs) bands (ev): -7.3839 -7.3839 -6.5046 -6.5046 -2.3082 -2.3082 -1.7757 -1.7757 -1.6545 -1.6545 -1.5979 -1.5979 -0.4439 -0.4439 -0.1377 -0.1377 0.1785 0.1785 0.3151 0.3151 0.3361 0.3361 0.3628 0.3628 1.5261 1.5261 2.1085 2.1085 2.2161 2.2161 3.0971 3.0971 3.4910 3.4910 3.7573 3.7573 4.1305 4.1305 7.8795 7.8795 9.4814 9.4814 10.4301 10.4301 10.8880 10.8880 k =-0.0078 0.0130 0.0151 ( 4567 PWs) bands (ev): -7.3851 -7.3851 -6.5043 -6.5043 -2.3083 -2.3083 -1.7753 -1.7753 -1.6543 -1.6543 -1.5978 -1.5978 -0.4437 -0.4437 -0.1374 -0.1374 0.1792 0.1792 0.3156 0.3156 0.3361 0.3361 0.3636 0.3636 1.5298 1.5298 2.1245 2.1245 2.2155 2.2155 3.0893 3.0893 3.4824 3.4824 3.7492 3.7492 4.1226 4.1226 7.8790 7.8790 9.5040 9.5040 10.4682 10.4682 10.8834 10.8834 k = 0.0000 0.0000 0.0000 ( 4567 PWs) bands (ev): -7.3855 -7.3855 -6.5042 -6.5042 -2.3084 -2.3084 -1.7752 -1.7752 -1.6543 -1.6543 -1.5977 -1.5977 -0.4437 -0.4437 -0.1373 -0.1373 0.1794 0.1794 0.3158 0.3158 0.3360 0.3360 0.3639 0.3639 1.5310 1.5310 2.1304 2.1304 2.2149 2.2149 3.0867 3.0867 3.4795 3.4795 3.7465 3.7465 4.1200 4.1200 7.8788 7.8788 9.5117 9.5117 10.4817 10.4817 10.8818 10.8818 k = 0.0000 0.0000 0.0000 ( 4567 PWs) bands (ev): -7.3855 -7.3855 -6.5042 -6.5042 -2.3084 -2.3084 -1.7752 -1.7752 -1.6543 -1.6543 -1.5977 -1.5977 -0.4437 -0.4437 -0.1373 -0.1373 0.1794 0.1794 0.3158 0.3158 0.3360 0.3360 0.3639 0.3639 1.5310 1.5310 2.1304 2.1304 2.2149 2.2149 3.0867 3.0867 3.4795 3.4795 3.7465 3.7465 4.1200 4.1200 7.8788 7.8788 9.5117 9.5117 10.4817 10.4817 10.8818 10.8818 k = 0.0185 0.0111-0.0000 ( 4567 PWs) bands (ev): -7.3848 -7.3848 -6.5052 -6.5052 -2.3072 -2.3072 -1.7756 -1.7756 -1.6544 -1.6544 -1.5976 -1.5976 -0.4429 -0.4429 -0.1376 -0.1376 0.1794 0.1794 0.3163 0.3163 0.3361 0.3361 0.3584 0.3584 1.5310 1.5310 2.0661 2.0661 2.2886 2.2886 3.0846 3.0846 3.4834 3.4834 3.7419 3.7419 4.1243 4.1243 7.8633 7.8633 9.5140 9.5140 10.4850 10.4850 10.8772 10.8772 k = 0.0370 0.0221-0.0000 ( 4567 PWs) bands (ev): -7.3825 -7.3825 -6.5082 -6.5082 -2.3038 -2.3038 -1.7769 -1.7769 -1.6547 -1.6547 -1.5974 -1.5974 -0.4407 -0.4407 -0.1384 -0.1384 0.1795 0.1795 0.3177 0.3177 0.3364 0.3364 0.3421 0.3421 1.5306 1.5306 1.9833 1.9833 2.3992 2.3992 3.0794 3.0794 3.4951 3.4951 3.7288 3.7288 4.1366 4.1366 7.8179 7.8179 9.5210 9.5210 10.4948 10.4948 10.8637 10.8637 k = 0.0556 0.0332-0.0000 ( 4551 PWs) bands (ev): -7.3787 -7.3787 -6.5131 -6.5131 -2.2982 -2.2982 -1.7790 -1.7790 -1.6552 -1.6552 -1.5970 -1.5970 -0.4370 -0.4370 -0.1397 -0.1397 0.1795 0.1795 0.3160 0.3160 0.3199 0.3199 0.3370 0.3370 1.5287 1.5287 1.9112 1.9112 2.5158 2.5158 3.0737 3.0737 3.5139 3.5139 3.7088 3.7088 4.1554 4.1554 7.7449 7.7449 9.5330 9.5330 10.5110 10.5110 10.8427 10.8427 k = 0.0741 0.0443-0.0000 ( 4559 PWs) bands (ev): -7.3734 -7.3734 -6.5200 -6.5200 -2.2906 -2.2906 -1.7819 -1.7819 -1.6558 -1.6558 -1.5965 -1.5965 -0.4319 -0.4319 -0.1415 -0.1415 0.1796 0.1796 0.2811 0.2811 0.3226 0.3226 0.3381 0.3381 1.5234 1.5234 1.8537 1.8537 2.6300 2.6300 3.0729 3.0729 3.5393 3.5393 3.6834 3.6834 4.1790 4.1790 7.6481 7.6481 9.5503 9.5503 10.5336 10.5336 10.8159 10.8159 k = 0.0926 0.0553-0.0000 ( 4539 PWs) bands (ev): -7.3666 -7.3666 -6.5286 -6.5286 -2.2814 -2.2814 -1.7858 -1.7858 -1.6567 -1.6567 -1.5959 -1.5959 -0.4253 -0.4253 -0.1438 -0.1438 0.1796 0.1796 0.2390 0.2390 0.3256 0.3256 0.3400 0.3400 1.5125 1.5125 1.8131 1.8131 2.7293 2.7293 3.0881 3.0881 3.5715 3.5715 3.6543 3.6543 4.2059 4.2059 7.5316 7.5316 9.5730 9.5730 10.5625 10.5625 10.7852 10.7852 k = 0.1111 0.0664-0.0000 ( 4547 PWs) bands (ev): -7.3584 -7.3584 -6.5390 -6.5390 -2.2708 -2.2708 -1.7906 -1.7906 -1.6576 -1.6576 -1.5952 -1.5952 -0.4173 -0.4173 -0.1464 -0.1464 0.1797 0.1797 0.1917 0.1917 0.3282 0.3282 0.3433 0.3433 1.4948 1.4948 1.7901 1.7901 2.7949 2.7949 3.1353 3.1353 3.6116 3.6116 3.6226 3.6226 4.2349 4.2349 7.3999 7.3999 9.6012 9.6012 10.5975 10.5975 10.7518 10.7518 k = 0.1296 0.0775-0.0000 ( 4539 PWs) bands (ev): -7.3488 -7.3488 -6.5511 -6.5511 -2.2592 -2.2592 -1.7964 -1.7964 -1.6587 -1.6587 -1.5944 -1.5944 -0.4079 -0.4079 -0.1494 -0.1494 0.1410 0.1410 0.1797 0.1797 0.3300 0.3300 0.3481 0.3481 1.4709 1.4709 1.7832 1.7832 2.8202 2.8202 3.2169 3.2169 3.5892 3.5892 3.6626 3.6626 4.2653 4.2653 7.2569 7.2569 9.6347 9.6347 10.6383 10.6383 10.7174 10.7174 k = 0.1481 0.0886-0.0000 ( 4551 PWs) bands (ev): -7.3378 -7.3378 -6.5647 -6.5647 -2.2472 -2.2472 -1.8031 -1.8031 -1.6599 -1.6599 -1.5936 -1.5936 -0.3973 -0.3973 -0.1526 -0.1526 0.0888 0.0888 0.1798 0.1798 0.3312 0.3312 0.3543 0.3543 1.4432 1.4432 1.7891 1.7891 2.8186 2.8186 3.3128 3.3128 3.5549 3.5549 3.7299 3.7299 4.2963 4.2963 7.1066 7.1066 9.6732 9.6732 10.6746 10.6746 10.6927 10.6927 k = 0.1667 0.0996-0.0000 ( 4551 PWs) bands (ev): -7.3255 -7.3255 -6.5796 -6.5796 -2.2351 -2.2351 -1.8108 -1.8108 -1.6612 -1.6612 -1.5927 -1.5927 -0.3857 -0.3857 -0.1561 -0.1561 0.0371 0.0371 0.1798 0.1798 0.3320 0.3320 0.3617 0.3617 1.4140 1.4140 1.8046 1.8046 2.8038 2.8038 3.4020 3.4020 3.5200 3.5200 3.8195 3.8195 4.3276 4.3276 6.9524 6.9524 9.7164 9.7164 10.6449 10.6449 10.7401 10.7401 k = 0.1852 0.1107-0.0000 ( 4543 PWs) bands (ev): -7.3121 -7.3121 -6.5958 -6.5958 -2.2235 -2.2235 -1.8193 -1.8193 -1.6625 -1.6625 -1.5918 -1.5918 -0.3732 -0.3732 -0.1597 -0.1597 -0.0126 -0.0126 0.1798 0.1798 0.3326 0.3326 0.3697 0.3697 1.3850 1.3850 1.8273 1.8273 2.7828 2.7828 3.4741 3.4741 3.4850 3.4850 3.9329 3.9329 4.3588 4.3588 6.7980 6.7980 9.7638 9.7638 10.6106 10.6106 10.7981 10.7981 k = 0.2037 0.1218-0.0000 ( 4527 PWs) bands (ev): -7.2974 -7.2974 -6.6131 -6.6131 -2.2130 -2.2130 -1.8285 -1.8285 -1.6639 -1.6639 -1.5908 -1.5908 -0.3603 -0.3603 -0.1634 -0.1634 -0.0584 -0.0584 0.1797 0.1797 0.3330 0.3330 0.3784 0.3784 1.3568 1.3568 1.8557 1.8557 2.7589 2.7589 3.4503 3.4503 3.5292 3.5292 4.0643 4.0643 4.3896 4.3896 6.6470 6.6470 9.8148 9.8148 10.5771 10.5771 10.8617 10.8617 k = 0.2222 0.1328-0.0000 ( 4539 PWs) bands (ev): -7.2817 -7.2817 -6.6315 -6.6315 -2.2039 -2.2039 -1.8383 -1.8383 -1.6652 -1.6652 -1.5899 -1.5899 -0.3480 -0.3480 -0.1672 -0.1672 -0.0988 -0.0988 0.1797 0.1797 0.3334 0.3334 0.3875 0.3875 1.3299 1.3299 1.8889 1.8889 2.7340 2.7340 3.4162 3.4162 3.5717 3.5717 4.2045 4.2045 4.4197 4.4197 6.5038 6.5038 9.8687 9.8687 10.5449 10.5449 10.9303 10.9303 k = 0.2407 0.1439-0.0000 ( 4543 PWs) bands (ev): -7.2649 -7.2649 -6.6507 -6.6507 -2.1969 -2.1969 -1.8482 -1.8482 -1.6666 -1.6666 -1.5890 -1.5890 -0.3374 -0.3374 -0.1709 -0.1709 -0.1318 -0.1318 0.1796 0.1796 0.3338 0.3338 0.3968 0.3968 1.3044 1.3044 1.9263 1.9263 2.7091 2.7091 3.3828 3.3828 3.6052 3.6052 4.3443 4.3443 4.4489 4.4489 6.3739 6.3739 9.9242 9.9242 10.5142 10.5142 11.0037 11.0037 k = 0.2593 0.1550-0.0000 ( 4543 PWs) bands (ev): -7.2472 -7.2472 -6.6707 -6.6707 -2.1923 -2.1923 -1.8581 -1.8581 -1.6680 -1.6680 -1.5881 -1.5881 -0.3307 -0.3307 -0.1746 -0.1746 -0.1551 -0.1551 0.1795 0.1795 0.3340 0.3340 0.4063 0.4063 1.2803 1.2803 1.9672 1.9672 2.6851 2.6851 3.3506 3.3506 3.6320 3.6320 4.4741 4.4741 4.4772 4.4772 6.2646 6.2646 9.9801 9.9801 10.4852 10.4852 11.0816 11.0816 k = 0.2778 0.1660-0.0000 ( 4543 PWs) bands (ev): -7.2286 -7.2286 -6.6913 -6.6913 -2.1904 -2.1904 -1.8674 -1.8674 -1.6693 -1.6693 -1.5872 -1.5872 -0.3298 -0.3298 -0.1782 -0.1782 -0.1669 -0.1669 0.1793 0.1793 0.3343 0.3343 0.4157 0.4157 1.2576 1.2576 2.0114 2.0114 2.6626 2.6626 3.3196 3.3196 3.6531 3.6531 4.5041 4.5041 4.5834 4.5834 6.1855 6.1855 10.0341 10.0341 10.4580 10.4580 11.1634 11.1634 k = 0.2963 0.1771-0.0000 ( 4551 PWs) bands (ev): -7.2093 -7.2093 -6.7125 -6.7125 -2.1914 -2.1914 -1.8759 -1.8759 -1.6705 -1.6705 -1.5864 -1.5864 -0.3351 -0.3351 -0.1816 -0.1816 -0.1671 -0.1671 0.1792 0.1792 0.3346 0.3346 0.4250 0.4250 1.2362 1.2362 2.0582 2.0582 2.6426 2.6426 3.2902 3.2902 3.6689 3.6689 4.5297 4.5297 4.6611 4.6611 6.1474 6.1474 10.0828 10.0828 10.4328 10.4328 11.2136 11.2136 k = 0.3148 0.1882-0.0000 ( 4535 PWs) bands (ev): -7.1892 -7.1892 -6.7342 -6.7342 -2.1951 -2.1951 -1.8832 -1.8832 -1.6717 -1.6717 -1.5857 -1.5857 -0.3444 -0.3444 -0.1849 -0.1849 -0.1583 -0.1583 0.1791 0.1791 0.3348 0.3348 0.4340 0.4340 1.2161 1.2161 2.1068 2.1068 2.6258 2.6258 3.2626 3.2626 3.6790 3.6790 4.5537 4.5537 4.6989 4.6989 6.1586 6.1586 10.1200 10.1200 10.4096 10.4096 11.0696 11.0696 k = 0.3333 0.1993-0.0000 ( 4543 PWs) bands (ev): -7.1685 -7.1685 -6.7562 -6.7562 -2.2013 -2.2013 -1.8893 -1.8893 -1.6728 -1.6728 -1.5849 -1.5849 -0.3552 -0.3552 -0.1879 -0.1879 -0.1439 -0.1439 0.1790 0.1790 0.3350 0.3350 0.4426 0.4426 1.1974 1.1974 2.1561 2.1561 2.6135 2.6135 3.2368 3.2368 3.6829 3.6829 4.5759 4.5759 4.6968 4.6968 6.2197 6.2197 10.1351 10.1351 10.3884 10.3884 10.9347 10.9347 k = 0.3519 0.2103-0.0000 ( 4531 PWs) bands (ev): -7.1474 -7.1474 -6.7785 -6.7785 -2.2094 -2.2094 -1.8941 -1.8941 -1.6739 -1.6739 -1.5843 -1.5843 -0.3656 -0.3656 -0.1907 -0.1907 -0.1266 -0.1266 0.1788 0.1788 0.3352 0.3352 0.4507 0.4507 1.1802 1.1802 2.2042 2.2042 2.6075 2.6075 3.2133 3.2133 3.6798 3.6798 4.5963 4.5963 4.6633 4.6633 6.3225 6.3225 10.1118 10.1118 10.3694 10.3694 10.8287 10.8287 k = 0.3704 0.2214-0.0000 ( 4527 PWs) bands (ev): -7.1257 -7.1257 -6.8011 -6.8011 -2.2188 -2.2188 -1.8978 -1.8978 -1.6748 -1.6748 -1.5837 -1.5837 -0.3747 -0.3747 -0.1932 -0.1932 -0.1083 -0.1083 0.1787 0.1787 0.3353 0.3353 0.4582 0.4582 1.1644 1.1644 2.2486 2.2486 2.6099 2.6099 3.1920 3.1920 3.6688 3.6688 4.6110 4.6110 4.6146 4.6146 6.4547 6.4547 10.0368 10.0368 10.3526 10.3526 10.7685 10.7685 k = 0.3889 0.2325-0.0000 ( 4527 PWs) bands (ev): -7.1037 -7.1037 -6.8238 -6.8238 -2.2287 -2.2287 -1.9005 -1.9005 -1.6756 -1.6756 -1.5832 -1.5832 -0.3824 -0.3824 -0.1955 -0.1955 -0.0901 -0.0901 0.1786 0.1786 0.3355 0.3355 0.4649 0.4649 1.1503 1.1503 2.2861 2.2861 2.6231 2.6231 3.1732 3.1732 3.6490 3.6490 4.5518 4.5518 4.6308 4.6308 6.6042 6.6042 9.9152 9.9152 10.3379 10.3379 10.7520 10.7520 k = 0.4074 0.2435-0.0000 ( 4527 PWs) bands (ev): -7.0815 -7.0815 -6.8466 -6.8466 -2.2385 -2.2385 -1.9024 -1.9024 -1.6763 -1.6763 -1.5828 -1.5828 -0.3885 -0.3885 -0.1974 -0.1974 -0.0732 -0.0732 0.1785 0.1785 0.3356 0.3356 0.4707 0.4707 1.1380 1.1380 2.3144 2.3144 2.6482 2.6482 3.1570 3.1570 3.6205 3.6205 4.4943 4.4943 4.6447 4.6447 6.7606 6.7606 9.7671 9.7671 10.3255 10.3255 10.7626 10.7626 k = 0.4259 0.2546-0.0000 ( 4515 PWs) bands (ev): -7.0591 -7.0591 -6.8694 -6.8694 -2.2474 -2.2474 -1.9037 -1.9037 -1.6769 -1.6769 -1.5824 -1.5824 -0.3932 -0.3932 -0.1990 -0.1990 -0.0582 -0.0582 0.1784 0.1784 0.3357 0.3357 0.4756 0.4756 1.1276 1.1276 2.3331 2.3331 2.6836 2.6836 3.1436 3.1436 3.5847 3.5847 4.4444 4.4444 4.6563 4.6563 6.9143 6.9143 9.6125 9.6125 10.3153 10.3153 10.7848 10.7848 k = 0.4444 0.2657-0.0000 ( 4511 PWs) bands (ev): -7.0368 -7.0368 -6.8920 -6.8920 -2.2550 -2.2550 -1.9046 -1.9046 -1.6774 -1.6774 -1.5821 -1.5821 -0.3966 -0.3966 -0.2002 -0.2002 -0.0459 -0.0459 0.1783 0.1783 0.3358 0.3358 0.4795 0.4795 1.1193 1.1193 2.3442 2.3442 2.7241 2.7241 3.1330 3.1330 3.5452 3.5452 4.4049 4.4049 4.6654 4.6654 7.0552 7.0552 9.4676 9.4676 10.3074 10.3074 10.8089 10.8089 k = 0.4630 0.2767-0.0000 ( 4495 PWs) bands (ev): -7.0148 -7.0148 -6.9142 -6.9142 -2.2607 -2.2607 -1.9051 -1.9051 -1.6777 -1.6777 -1.5819 -1.5819 -0.3989 -0.3989 -0.2011 -0.2011 -0.0367 -0.0367 0.1783 0.1783 0.3358 0.3358 0.4824 0.4824 1.1133 1.1133 2.3501 2.3501 2.7626 2.7626 3.1254 3.1254 3.5078 3.5078 4.3771 4.3771 4.6719 4.6719 7.1714 7.1714 9.3472 9.3472 10.3017 10.3017 10.8292 10.8292 k = 0.4815 0.2878-0.0000 ( 4494 PWs) bands (ev): -6.9946 -6.9946 -6.9345 -6.9345 -2.2643 -2.2643 -1.9054 -1.9054 -1.6779 -1.6779 -1.5818 -1.5818 -0.4002 -0.4002 -0.2017 -0.2017 -0.0310 -0.0310 0.1783 0.1783 0.3359 0.3359 0.4841 0.4841 1.1096 1.1096 2.3528 2.3528 2.7907 2.7907 3.1209 3.1209 3.4804 3.4804 4.3607 4.3607 4.6758 4.6758 7.2494 7.2494 9.2663 9.2663 10.2983 10.2983 10.8425 10.8425 k = 0.5000 0.2989-0.0000 ( 4490 PWs) bands (ev): -6.9835 -6.9835 -6.9456 -6.9456 -2.2655 -2.2655 -1.9055 -1.9055 -1.6780 -1.6780 -1.5818 -1.5818 -0.4007 -0.4007 -0.2018 -0.2018 -0.0291 -0.0291 0.1782 0.1782 0.3359 0.3359 0.4847 0.4847 1.1084 1.1084 2.3536 2.3536 2.8011 2.8011 3.1193 3.1193 3.4702 3.4702 4.3553 4.3553 4.6771 4.6771 7.2771 7.2771 9.2375 9.2375 10.2971 10.2971 10.8471 10.8471 k = 0.5000 0.2989-0.0000 ( 4490 PWs) bands (ev): -6.9835 -6.9835 -6.9456 -6.9456 -2.2655 -2.2655 -1.9055 -1.9055 -1.6780 -1.6780 -1.5818 -1.5818 -0.4007 -0.4007 -0.2018 -0.2018 -0.0291 -0.0291 0.1782 0.1782 0.3359 0.3359 0.4847 0.4847 1.1084 1.1084 2.3536 2.3536 2.8011 2.8011 3.1193 3.1193 3.4702 3.4702 4.3553 4.3553 4.6771 4.6771 7.2771 7.2771 9.2375 9.2375 10.2971 10.2971 10.8471 10.8471 k = 0.4924 0.3116 0.0148 ( 4492 PWs) bands (ev): -6.9831 -6.9831 -6.9457 -6.9457 -2.2655 -2.2655 -1.9055 -1.9055 -1.6780 -1.6780 -1.5818 -1.5818 -0.4009 -0.4009 -0.2018 -0.2018 -0.0291 -0.0291 0.1781 0.1781 0.3358 0.3358 0.4845 0.4845 1.1063 1.1063 2.3542 2.3542 2.7991 2.7991 3.1196 3.1196 3.4732 3.4732 4.3560 4.3560 4.6783 4.6783 7.2789 7.2789 9.2379 9.2379 10.2960 10.2960 10.8443 10.8443 k = 0.4848 0.3243 0.0296 ( 4500 PWs) bands (ev): -6.9819 -6.9819 -6.9459 -6.9459 -2.2655 -2.2655 -1.9054 -1.9054 -1.6781 -1.6781 -1.5820 -1.5820 -0.4018 -0.4018 -0.2016 -0.2016 -0.0289 -0.0289 0.1775 0.1775 0.3354 0.3354 0.4841 0.4841 1.0999 1.0999 2.3557 2.3557 2.7933 2.7933 3.1205 3.1205 3.4820 3.4820 4.3582 4.3582 4.6816 4.6816 7.2844 7.2844 9.2392 9.2392 10.2922 10.2922 10.8364 10.8364 k = 0.4772 0.3370 0.0445 ( 4502 PWs) bands (ev): -6.9800 -6.9800 -6.9462 -6.9462 -2.2655 -2.2655 -1.9053 -1.9053 -1.6783 -1.6783 -1.5823 -1.5823 -0.4032 -0.4032 -0.2013 -0.2013 -0.0287 -0.0287 0.1766 0.1766 0.3347 0.3347 0.4835 0.4835 1.0896 1.0896 2.3576 2.3576 2.7846 2.7846 3.1220 3.1220 3.4963 3.4963 4.3618 4.3618 4.6872 4.6872 7.2936 7.2936 9.2414 9.2414 10.2844 10.2844 10.8250 10.8250 k = 0.4696 0.3498 0.0593 ( 4506 PWs) bands (ev): -6.9772 -6.9772 -6.9467 -6.9467 -2.2655 -2.2655 -1.9051 -1.9051 -1.6785 -1.6785 -1.5826 -1.5826 -0.4051 -0.4051 -0.2009 -0.2009 -0.0284 -0.0284 0.1754 0.1754 0.3338 0.3338 0.4825 0.4825 1.0757 1.0757 2.3590 2.3590 2.7742 2.7742 3.1244 3.1244 3.5154 3.5154 4.3666 4.3666 4.6949 4.6949 7.3063 7.3063 9.2444 9.2444 10.2705 10.2705 10.8126 10.8126 k = 0.4620 0.3625 0.0741 ( 4510 PWs) bands (ev): -6.9737 -6.9737 -6.9474 -6.9474 -2.2655 -2.2655 -1.9048 -1.9048 -1.6787 -1.6787 -1.5831 -1.5831 -0.4076 -0.4076 -0.2004 -0.2004 -0.0280 -0.0280 0.1739 0.1739 0.3326 0.3326 0.4813 0.4813 1.0584 1.0584 2.3586 2.3586 2.7638 2.7638 3.1277 3.1277 3.5387 3.5387 4.3724 4.3724 4.7046 4.7046 7.3226 7.3226 9.2481 9.2481 10.2477 10.2477 10.8020 10.8020 k = 0.4544 0.3752 0.0889 ( 4516 PWs) bands (ev): -6.9695 -6.9695 -6.9482 -6.9482 -2.2655 -2.2655 -1.9045 -1.9045 -1.6790 -1.6790 -1.5837 -1.5837 -0.4106 -0.4106 -0.1998 -0.1998 -0.0275 -0.0275 0.1720 0.1720 0.3312 0.3312 0.4799 0.4799 1.0383 1.0383 2.3549 2.3549 2.7552 2.7552 3.1317 3.1317 3.5655 3.5655 4.3791 4.3791 4.7162 4.7162 7.3423 7.3423 9.2527 9.2527 10.2139 10.2139 10.7953 10.7953 k = 0.4468 0.3879 0.1038 ( 4518 PWs) bands (ev): -6.9645 -6.9645 -6.9492 -6.9492 -2.2655 -2.2655 -1.9042 -1.9042 -1.6794 -1.6794 -1.5844 -1.5844 -0.4140 -0.4140 -0.1991 -0.1991 -0.0269 -0.0269 0.1698 0.1698 0.3296 0.3296 0.4782 0.4782 1.0159 1.0159 2.3465 2.3465 2.7504 2.7504 3.1363 3.1363 3.5954 3.5954 4.3864 4.3864 4.7296 4.7296 7.3654 7.3654 9.2580 9.2580 10.1675 10.1675 10.7933 10.7933 k = 0.4392 0.4007 0.1186 ( 4518 PWs) bands (ev): -6.9588 -6.9588 -6.9504 -6.9504 -2.2655 -2.2655 -1.9038 -1.9038 -1.6798 -1.6798 -1.5851 -1.5851 -0.4179 -0.4179 -0.1984 -0.1984 -0.0263 -0.0263 0.1674 0.1674 0.3278 0.3278 0.4763 0.4763 0.9917 0.9917 2.3325 2.3325 2.7506 2.7506 3.1414 3.1414 3.6280 3.6280 4.3941 4.3941 4.7445 4.7445 7.3918 7.3918 9.2640 9.2640 10.1087 10.1087 10.7941 10.7941 k = 0.4316 0.4134 0.1334 ( 4530 PWs) bands (ev): -6.9525 -6.9525 -6.9517 -6.9517 -2.2655 -2.2655 -1.9033 -1.9033 -1.6802 -1.6802 -1.5860 -1.5860 -0.4221 -0.4221 -0.1977 -0.1977 -0.0256 -0.0256 0.1648 0.1648 0.3258 0.3258 0.4742 0.4742 0.9662 0.9662 2.3125 2.3125 2.7563 2.7563 3.1468 3.1468 3.6631 3.6631 4.4021 4.4021 4.7607 4.7607 7.4212 7.4212 9.2706 9.2706 10.0386 10.0386 10.7931 10.7931 k = 0.4239 0.4261 0.1482 ( 4522 PWs) bands (ev): -6.9534 -6.9534 -6.9454 -6.9454 -2.2655 -2.2655 -1.9027 -1.9027 -1.6807 -1.6807 -1.5870 -1.5870 -0.4268 -0.4268 -0.1969 -0.1969 -0.0249 -0.0249 0.1620 0.1620 0.3236 0.3236 0.4718 0.4718 0.9398 0.9398 2.2869 2.2869 2.7673 2.7673 3.1525 3.1525 3.7004 3.7004 4.4102 4.4102 4.7779 4.7779 7.4535 7.4535 9.2777 9.2777 9.9588 9.9588 10.7831 10.7831 k = 0.4163 0.4388 0.1630 ( 4528 PWs) bands (ev): -6.9552 -6.9552 -6.9377 -6.9377 -2.2655 -2.2655 -1.9021 -1.9021 -1.6812 -1.6812 -1.5880 -1.5880 -0.4317 -0.4317 -0.1961 -0.1961 -0.0242 -0.0242 0.1590 0.1590 0.3214 0.3214 0.4692 0.4692 0.9130 0.9130 2.2565 2.2565 2.7826 2.7826 3.1583 3.1583 3.7397 3.7397 4.4183 4.4183 4.7958 4.7958 7.4885 7.4885 9.2852 9.2852 9.8712 9.8712 10.7567 10.7567 k = 0.4087 0.4516 0.1779 ( 4528 PWs) bands (ev): -6.9574 -6.9574 -6.9294 -6.9294 -2.2655 -2.2655 -1.9014 -1.9014 -1.6818 -1.6818 -1.5891 -1.5891 -0.4369 -0.4369 -0.1953 -0.1953 -0.0234 -0.0234 0.1560 0.1560 0.3190 0.3190 0.4664 0.4664 0.8861 0.8861 2.2225 2.2225 2.8012 2.8012 3.1646 3.1646 3.7808 3.7808 4.4262 4.4262 4.8141 4.8141 7.5261 7.5261 9.2930 9.2930 9.7774 9.7774 10.7086 10.7087 k = 0.4011 0.4643 0.1927 ( 4528 PWs) bands (ev): -6.9598 -6.9598 -6.9205 -6.9205 -2.2656 -2.2656 -1.9007 -1.9007 -1.6823 -1.6823 -1.5903 -1.5903 -0.4423 -0.4423 -0.1946 -0.1946 -0.0226 -0.0226 0.1528 0.1528 0.3165 0.3165 0.4634 0.4634 0.8596 0.8596 2.1858 2.1858 2.8216 2.8216 3.1716 3.1716 3.8235 3.8235 4.4340 4.4340 4.8325 4.8325 7.5659 7.5659 9.3008 9.3008 9.6789 9.6789 10.6393 10.6393 k = 0.3935 0.4770 0.2075 ( 4520 PWs) bands (ev): -6.9625 -6.9625 -6.9110 -6.9110 -2.2656 -2.2656 -1.8998 -1.8998 -1.6829 -1.6829 -1.5915 -1.5915 -0.4478 -0.4478 -0.1939 -0.1939 -0.0218 -0.0218 0.1497 0.1497 0.3139 0.3139 0.4601 0.4601 0.8338 0.8338 2.1474 2.1474 2.8424 2.8424 3.1798 3.1798 3.8675 3.8675 4.4415 4.4415 4.8507 4.8507 7.6076 7.6076 9.3085 9.3085 9.5771 9.5771 10.5537 10.5537 k = 0.3859 0.4897 0.2223 ( 4508 PWs) bands (ev): -6.9656 -6.9656 -6.9010 -6.9010 -2.2657 -2.2657 -1.8989 -1.8989 -1.6835 -1.6835 -1.5928 -1.5928 -0.4535 -0.4535 -0.1932 -0.1932 -0.0211 -0.0211 0.1466 0.1466 0.3113 0.3113 0.4567 0.4567 0.8089 0.8089 2.1080 2.1080 2.8624 2.8624 3.1899 3.1899 3.9125 3.9125 4.4489 4.4489 4.8685 4.8685 7.6509 7.6509 9.3156 9.3156 9.4729 9.4729 10.4592 10.4592 k = 0.3783 0.5024 0.2372 ( 4504 PWs) bands (ev): -6.9690 -6.9690 -6.8906 -6.8906 -2.2658 -2.2658 -1.8979 -1.8979 -1.6841 -1.6841 -1.5941 -1.5941 -0.4591 -0.4591 -0.1926 -0.1926 -0.0204 -0.0204 0.1436 0.1436 0.3086 0.3086 0.4531 0.4531 0.7852 0.7852 2.0682 2.0682 2.8800 2.8800 3.2026 3.2026 3.9583 3.9583 4.4561 4.4561 4.8856 4.8856 7.6954 7.6954 9.3205 9.3205 9.3686 9.3686 10.3615 10.3615 k = 0.3707 0.5152 0.2520 ( 4508 PWs) bands (ev): -6.9728 -6.9728 -6.8797 -6.8797 -2.2659 -2.2659 -1.8968 -1.8968 -1.6846 -1.6846 -1.5955 -1.5955 -0.4647 -0.4647 -0.1920 -0.1920 -0.0197 -0.0197 0.1408 0.1408 0.3059 0.3059 0.4493 0.4493 0.7629 0.7629 2.0286 2.0286 2.8940 2.8940 3.2188 3.2188 4.0043 4.0043 4.4633 4.4633 4.9017 4.9017 7.7406 7.7406 9.2580 9.2580 9.3298 9.3298 10.2627 10.2627 k = 0.3631 0.5279 0.2668 ( 4510 PWs) bands (ev): -6.9771 -6.9771 -6.8684 -6.8684 -2.2661 -2.2661 -1.8956 -1.8956 -1.6852 -1.6852 -1.5968 -1.5968 -0.4702 -0.4702 -0.1914 -0.1914 -0.0190 -0.0190 0.1382 0.1382 0.3032 0.3032 0.4454 0.4454 0.7421 0.7421 1.9895 1.9895 2.9035 2.9035 3.2389 3.2389 4.0499 4.0499 4.4708 4.4708 4.9166 4.9166 7.7861 7.7861 9.1521 9.1521 9.3326 9.3326 10.1633 10.1633 k = 0.3555 0.5406 0.2816 ( 4498 PWs) bands (ev): -6.9817 -6.9817 -6.8567 -6.8567 -2.2663 -2.2663 -1.8943 -1.8943 -1.6857 -1.6857 -1.5982 -1.5982 -0.4756 -0.4756 -0.1909 -0.1909 -0.0184 -0.0184 0.1359 0.1359 0.3006 0.3006 0.4413 0.4413 0.7230 0.7230 1.9514 1.9514 2.9081 2.9081 3.2632 3.2632 4.0945 4.0945 4.4789 4.4789 4.9301 4.9301 7.8313 7.8313 9.0460 9.0460 9.3340 9.3340 10.0640 10.0640 k = 0.3479 0.5533 0.2964 ( 4514 PWs) bands (ev): -6.9867 -6.9867 -6.8448 -6.8448 -2.2665 -2.2665 -1.8929 -1.8929 -1.6862 -1.6862 -1.5996 -1.5996 -0.4807 -0.4807 -0.1905 -0.1905 -0.0179 -0.0179 0.1338 0.1338 0.2980 0.2980 0.4371 0.4371 0.7057 0.7057 1.9143 1.9143 2.9078 2.9078 3.2913 3.2913 4.1370 4.1370 4.4885 4.4885 4.9421 4.9421 7.8755 7.8755 8.9409 8.9409 9.3333 9.3333 9.9654 9.9654 k = 0.3403 0.5661 0.3113 ( 4518 PWs) bands (ev): -6.9922 -6.9922 -6.8325 -6.8325 -2.2668 -2.2668 -1.8914 -1.8914 -1.6867 -1.6867 -1.6009 -1.6009 -0.4854 -0.4854 -0.1901 -0.1901 -0.0173 -0.0173 0.1322 0.1322 0.2954 0.2954 0.4328 0.4328 0.6902 0.6902 1.8787 1.8787 2.9028 2.9028 3.3227 3.3227 4.1760 4.1760 4.5004 4.5004 4.9524 4.9524 7.9178 7.9178 8.8373 8.8373 9.3302 9.3302 9.8682 9.8682 k = 0.3327 0.5788 0.3261 ( 4518 PWs) bands (ev): -6.9982 -6.9982 -6.8201 -6.8201 -2.2671 -2.2671 -1.8897 -1.8897 -1.6871 -1.6871 -1.6023 -1.6023 -0.4898 -0.4898 -0.1897 -0.1897 -0.0168 -0.0168 0.1310 0.1310 0.2929 0.2929 0.4285 0.4285 0.6766 0.6766 1.8447 1.8447 2.8937 2.8937 3.3566 3.3566 4.2100 4.2100 4.5159 4.5159 4.9609 4.9609 7.9574 7.9574 8.7360 8.7360 9.3252 9.3252 9.7733 9.7733 k = 0.3251 0.5915 0.3409 ( 4520 PWs) bands (ev): -7.0046 -7.0046 -6.8074 -6.8074 -2.2675 -2.2675 -1.8880 -1.8880 -1.6875 -1.6875 -1.6036 -1.6036 -0.4938 -0.4938 -0.1893 -0.1893 -0.0163 -0.0163 0.1302 0.1302 0.2906 0.2906 0.4241 0.4241 0.6649 0.6649 1.8124 1.8124 2.8810 2.8810 3.3924 3.3924 4.2375 4.2375 4.5362 4.5362 4.9674 4.9674 7.9932 7.9932 8.6374 8.6374 9.3194 9.3194 9.6812 9.6812 k = 0.3175 0.6042 0.3557 ( 4516 PWs) bands (ev): -7.0115 -7.0115 -6.7946 -6.7946 -2.2680 -2.2680 -1.8861 -1.8861 -1.6877 -1.6877 -1.6048 -1.6048 -0.4973 -0.4973 -0.1890 -0.1890 -0.0156 -0.0156 0.1300 0.1300 0.2884 0.2884 0.4198 0.4198 0.6552 0.6552 1.7821 1.7821 2.8653 2.8653 3.4293 3.4293 4.2572 4.2572 4.5620 4.5620 4.9721 4.9721 8.0241 8.0241 8.5423 8.5423 9.3143 9.3143 9.5926 9.5926 k = 0.3099 0.6169 0.3706 ( 4522 PWs) bands (ev): -7.0189 -7.0189 -6.7818 -6.7818 -2.2685 -2.2685 -1.8840 -1.8840 -1.6879 -1.6879 -1.6060 -1.6060 -0.5002 -0.5002 -0.1887 -0.1887 -0.0149 -0.0149 0.1302 0.1302 0.2863 0.2863 0.4156 0.4156 0.6473 0.6473 1.7536 1.7536 2.8469 2.8469 3.4668 3.4668 4.2689 4.2689 4.5931 4.5931 4.9748 4.9748 8.0486 8.0486 8.4516 8.4516 9.3116 9.3116 9.5081 9.5081 k = 0.3023 0.6297 0.3854 ( 4522 PWs) bands (ev): -7.0268 -7.0268 -6.7689 -6.7689 -2.2691 -2.2691 -1.8819 -1.8819 -1.6881 -1.6881 -1.6071 -1.6071 -0.5026 -0.5026 -0.1885 -0.1885 -0.0140 -0.0140 0.1310 0.1310 0.2844 0.2844 0.4114 0.4114 0.6413 0.6413 1.7273 1.7273 2.8262 2.8262 3.5042 3.5042 4.2732 4.2732 4.6283 4.6283 4.9756 4.9756 8.0649 8.0649 8.3671 8.3671 9.3124 9.3124 9.4289 9.4289 k = 0.2947 0.6424 0.4002 ( 4522 PWs) bands (ev): -7.0351 -7.0351 -6.7560 -6.7560 -2.2698 -2.2698 -1.8796 -1.8796 -1.6881 -1.6881 -1.6082 -1.6082 -0.5045 -0.5045 -0.1882 -0.1882 -0.0128 -0.0128 0.1323 0.1323 0.2827 0.2827 0.4075 0.4075 0.6372 0.6372 1.7031 1.7031 2.8035 2.8035 3.5412 3.5412 4.2712 4.2712 4.6660 4.6660 4.9748 4.9748 8.0700 8.0700 8.2915 8.2915 9.3122 9.3122 9.3616 9.3616 k = 0.2947 0.6424 0.4002 ( 4522 PWs) bands (ev): -7.0351 -7.0351 -6.7560 -6.7560 -2.2698 -2.2698 -1.8796 -1.8796 -1.6881 -1.6881 -1.6082 -1.6082 -0.5045 -0.5045 -0.1882 -0.1882 -0.0128 -0.0128 0.1323 0.1323 0.2827 0.2827 0.4075 0.4075 0.6372 0.6372 1.7031 1.7031 2.8035 2.8035 3.5412 3.5412 4.2712 4.2712 4.6660 4.6660 4.9748 4.9748 8.0700 8.0700 8.2915 8.2915 9.3122 9.3122 9.3616 9.3616 k = 0.2750 0.6374 0.4060 ( 4522 PWs) bands (ev): -7.0387 -7.0387 -6.7508 -6.7508 -2.2690 -2.2690 -1.8788 -1.8788 -1.6881 -1.6881 -1.6086 -1.6086 -0.5044 -0.5044 -0.1883 -0.1883 -0.0128 -0.0128 0.1324 0.1324 0.2821 0.2821 0.4053 0.4053 0.6372 0.6372 1.6856 1.6856 2.8056 2.8056 3.5564 3.5564 4.2685 4.2685 4.6817 4.6817 4.9720 4.9720 8.0548 8.0548 8.2599 8.2599 9.3055 9.3055 9.3524 9.3524 k = 0.2554 0.6324 0.4118 ( 4529 PWs) bands (ev): -7.0425 -7.0425 -6.7456 -6.7456 -2.2664 -2.2664 -1.8782 -1.8782 -1.6880 -1.6880 -1.6090 -1.6090 -0.5029 -0.5029 -0.1889 -0.1889 -0.0140 -0.0140 0.1314 0.1314 0.2814 0.2814 0.4020 0.4020 0.6397 0.6397 1.6526 1.6526 2.8295 2.8295 3.5730 3.5730 4.2642 4.2642 4.6982 4.6982 4.9653 4.9653 8.0134 8.0134 8.2208 8.2208 9.2871 9.2871 9.3667 9.3667 k = 0.2357 0.6274 0.4176 ( 4527 PWs) bands (ev): -7.0465 -7.0465 -6.7404 -6.7404 -2.2619 -2.2619 -1.8779 -1.8779 -1.6878 -1.6878 -1.6095 -1.6095 -0.4999 -0.4999 -0.1900 -0.1900 -0.0163 -0.0163 0.1293 0.1293 0.2807 0.2807 0.3976 0.3976 0.6445 0.6445 1.6068 1.6068 2.8724 2.8724 3.5908 3.5908 4.2586 4.2586 4.7145 4.7145 4.9554 4.9554 7.9489 7.9489 8.1808 8.1808 9.2650 9.2650 9.3887 9.3887 k = 0.2161 0.6225 0.4234 ( 4525 PWs) bands (ev): -7.0505 -7.0505 -6.7355 -6.7355 -2.2558 -2.2558 -1.8779 -1.8779 -1.6876 -1.6876 -1.6100 -1.6100 -0.4954 -0.4954 -0.1918 -0.1918 -0.0197 -0.0197 0.1263 0.1263 0.2801 0.2801 0.3922 0.3922 0.6516 0.6516 1.5521 1.5521 2.9307 2.9307 3.6095 3.6095 4.2520 4.2520 4.7286 4.7286 4.9439 4.9439 7.8653 7.8653 8.1449 8.1449 9.2435 9.2435 9.4081 9.4081 k = 0.1964 0.6175 0.4292 ( 4522 PWs) bands (ev): -7.0543 -7.0543 -6.7309 -6.7309 -2.2483 -2.2483 -1.8782 -1.8782 -1.6873 -1.6873 -1.6105 -1.6105 -0.4894 -0.4894 -0.1944 -0.1944 -0.0242 -0.0242 0.1226 0.1226 0.2795 0.2795 0.3860 0.3860 0.6608 0.6608 1.4922 1.4922 3.0004 3.0004 3.6289 3.6289 4.2447 4.2447 4.7376 4.7376 4.9332 4.9332 7.7692 7.7692 8.1142 8.1142 9.2239 9.2239 9.4212 9.4212 k = 0.1768 0.6125 0.4350 ( 4526 PWs) bands (ev): -7.0579 -7.0579 -6.7267 -6.7267 -2.2397 -2.2397 -1.8787 -1.8787 -1.6870 -1.6870 -1.6110 -1.6110 -0.4817 -0.4817 -0.1980 -0.1980 -0.0298 -0.0298 0.1185 0.1185 0.2790 0.2790 0.3791 0.3791 0.6720 0.6720 1.4300 1.4300 3.0780 3.0780 3.6486 3.6486 4.2372 4.2372 4.7375 4.7375 4.9270 4.9270 7.6672 7.6672 8.0881 8.0881 9.2065 9.2065 9.4280 9.4280 k = 0.1572 0.6075 0.4408 ( 4530 PWs) bands (ev): -7.0612 -7.0612 -6.7229 -6.7229 -2.2303 -2.2303 -1.8794 -1.8794 -1.6867 -1.6867 -1.6115 -1.6115 -0.4724 -0.4724 -0.2028 -0.2028 -0.0364 -0.0364 0.1143 0.1143 0.2788 0.2788 0.3719 0.3719 0.6848 0.6848 1.3680 1.3680 3.1604 3.1604 3.6682 3.6682 4.2304 4.2304 4.7250 4.7250 4.9282 4.9282 7.5645 7.5645 8.0660 8.0660 9.1913 9.1913 9.4294 9.4294 k = 0.1375 0.6025 0.4466 ( 4529 PWs) bands (ev): -7.0641 -7.0641 -6.7196 -6.7196 -2.2205 -2.2205 -1.8804 -1.8804 -1.6864 -1.6864 -1.6120 -1.6120 -0.4616 -0.4616 -0.2091 -0.2091 -0.0438 -0.0438 0.1103 0.1103 0.2787 0.2787 0.3646 0.3646 0.6992 0.6992 1.3081 1.3081 3.2448 3.2448 3.6872 3.6872 4.2250 4.2250 4.6996 4.6996 4.9368 4.9368 7.4651 7.4651 8.0472 8.0472 9.1784 9.1784 9.4270 9.4270 k = 0.1179 0.5976 0.4524 ( 4530 PWs) bands (ev): -7.0668 -7.0668 -6.7168 -6.7168 -2.2107 -2.2107 -1.8815 -1.8815 -1.6860 -1.6860 -1.6124 -1.6124 -0.4491 -0.4491 -0.2170 -0.2170 -0.0516 -0.0516 0.1066 0.1066 0.2789 0.2789 0.3574 0.3574 0.7149 0.7149 1.2516 1.2516 3.3285 3.3285 3.7047 3.7047 4.2224 4.2224 4.6634 4.6634 4.9505 4.9505 7.3724 7.3724 8.0315 8.0315 9.1676 9.1676 9.4221 9.4221 k = 0.0982 0.5926 0.4582 ( 4527 PWs) bands (ev): -7.0690 -7.0690 -6.7144 -6.7144 -2.2014 -2.2014 -1.8827 -1.8827 -1.6857 -1.6857 -1.6128 -1.6128 -0.4354 -0.4354 -0.2268 -0.2268 -0.0592 -0.0592 0.1036 0.1036 0.2794 0.2794 0.3506 0.3506 0.7315 0.7315 1.1997 1.1997 3.4089 3.4089 3.7197 3.7197 4.2241 4.2241 4.6193 4.6193 4.9664 4.9664 7.2889 7.2889 8.0185 8.0185 9.1589 9.1589 9.4161 9.4161 k = 0.0786 0.5876 0.4640 ( 4527 PWs) bands (ev): -7.0708 -7.0708 -6.7125 -6.7125 -2.1930 -2.1930 -1.8839 -1.8839 -1.6855 -1.6855 -1.6132 -1.6132 -0.4207 -0.4207 -0.2383 -0.2383 -0.0662 -0.0662 0.1011 0.1011 0.2800 0.2800 0.3445 0.3445 0.7483 0.7483 1.1535 1.1535 3.4833 3.4833 3.7312 3.7312 4.2322 4.2322 4.5694 4.5694 4.9821 4.9821 7.2170 7.2170 8.0082 8.0082 9.1520 9.1520 9.4099 9.4099 k = 0.0589 0.5826 0.4698 ( 4528 PWs) bands (ev): -7.0723 -7.0723 -6.7110 -6.7110 -2.1860 -2.1860 -1.8850 -1.8850 -1.6853 -1.6853 -1.6135 -1.6135 -0.4057 -0.4057 -0.2509 -0.2509 -0.0720 -0.0720 0.0992 0.0992 0.2808 0.2808 0.3392 0.3392 0.7646 0.7646 1.1142 1.1142 3.5488 3.5488 3.7376 3.7376 4.2484 4.2484 4.5158 4.5158 4.9959 4.9959 7.1588 7.1588 8.0003 8.0003 9.1468 9.1468 9.4043 9.4043 k = 0.0393 0.5776 0.4756 ( 4528 PWs) bands (ev): -7.0733 -7.0733 -6.7100 -6.7100 -2.1806 -2.1806 -1.8859 -1.8859 -1.6851 -1.6851 -1.6137 -1.6137 -0.3917 -0.3917 -0.2634 -0.2634 -0.0763 -0.0763 0.0979 0.0979 0.2816 0.2816 0.3352 0.3352 0.7788 0.7788 1.0835 1.0835 3.6028 3.6028 3.7379 3.7379 4.2744 4.2744 4.4605 4.4605 5.0068 5.0068 7.1159 7.1159 7.9948 7.9948 9.1433 9.1433 9.3998 9.3998 k = 0.0196 0.5726 0.4814 ( 4532 PWs) bands (ev): -7.0739 -7.0739 -6.7094 -6.7094 -2.1773 -2.1773 -1.8864 -1.8864 -1.6850 -1.6850 -1.6138 -1.6138 -0.3809 -0.3809 -0.2734 -0.2734 -0.0789 -0.0789 0.0972 0.0972 0.2821 0.2821 0.3326 0.3326 0.7888 0.7888 1.0636 1.0636 3.6415 3.6415 3.7329 3.7329 4.3102 4.3102 4.4061 4.4061 5.0137 5.0137 7.0896 7.0896 7.9915 7.9915 9.1412 9.1412 9.3970 9.3970 k = 0.0000 0.5677 0.4873 ( 4520 PWs) bands (ev): -7.0741 -7.0741 -6.7092 -6.7092 -2.1762 -2.1762 -1.8866 -1.8866 -1.6849 -1.6849 -1.6138 -1.6138 -0.3767 -0.3767 -0.2773 -0.2773 -0.0798 -0.0798 0.0969 0.0969 0.2823 0.2823 0.3317 0.3317 0.7925 0.7925 1.0566 1.0566 3.6571 3.6571 3.7289 3.7289 4.3511 4.3511 4.3589 4.3589 5.0160 5.0160 7.0808 7.0808 7.9904 7.9904 9.1405 9.1405 9.3960 9.3960 k = 0.0000 0.5677 0.4873 ( 4520 PWs) bands (ev): -7.0741 -7.0741 -6.7092 -6.7092 -2.1762 -2.1762 -1.8866 -1.8866 -1.6849 -1.6849 -1.6138 -1.6138 -0.3767 -0.3767 -0.2773 -0.2773 -0.0798 -0.0798 0.0969 0.0969 0.2823 0.2823 0.3317 0.3317 0.7925 0.7925 1.0566 1.0566 3.6571 3.6571 3.7289 3.7289 4.3511 4.3511 4.3589 4.3589 5.0160 5.0160 7.0808 7.0808 7.9904 7.9904 9.1405 9.1405 9.3960 9.3960 k = 0.0078 0.5546 0.5025 ( 4540 PWs) bands (ev): -7.0740 -7.0740 -6.7091 -6.7091 -2.1762 -2.1762 -1.8866 -1.8866 -1.6848 -1.6848 -1.6136 -1.6136 -0.3769 -0.3769 -0.2768 -0.2768 -0.0798 -0.0798 0.0974 0.0974 0.2824 0.2824 0.3321 0.3321 0.7933 0.7933 1.0574 1.0574 3.6458 3.6458 3.7341 3.7341 4.3291 4.3291 4.3768 4.3768 5.0141 5.0141 7.0797 7.0797 7.9932 7.9932 9.1293 9.1293 9.4164 9.4164 k = 0.0156 0.5415 0.5177 ( 4536 PWs) bands (ev): -7.0738 -7.0738 -6.7089 -6.7089 -2.1763 -2.1763 -1.8867 -1.8867 -1.6844 -1.6844 -1.6130 -1.6130 -0.3775 -0.3775 -0.2754 -0.2754 -0.0799 -0.0799 0.0988 0.0988 0.2825 0.2825 0.3335 0.3335 0.7957 0.7957 1.0597 1.0597 3.6186 3.6186 3.7432 3.7432 4.2999 4.2999 4.3940 4.3940 5.0084 5.0084 7.0761 7.0761 8.0018 8.0018 9.1040 9.1040 9.4689 9.4689 k = 0.0234 0.5285 0.5329 ( 4538 PWs) bands (ev): -7.0735 -7.0735 -6.7086 -6.7086 -2.1764 -2.1764 -1.8867 -1.8867 -1.6837 -1.6837 -1.6119 -1.6119 -0.3784 -0.3784 -0.2730 -0.2730 -0.0801 -0.0801 0.1011 0.1011 0.2829 0.2829 0.3357 0.3357 0.7999 0.7999 1.0636 1.0636 3.5823 3.5823 3.7493 3.7493 4.2676 4.2676 4.4071 4.4071 4.9988 4.9988 7.0692 7.0692 8.0171 8.0171 9.0771 9.0771 9.5412 9.5412 k = 0.0312 0.5154 0.5482 ( 4530 PWs) bands (ev): -7.0729 -7.0729 -6.7081 -6.7081 -2.1766 -2.1766 -1.8868 -1.8868 -1.6827 -1.6827 -1.6104 -1.6104 -0.3797 -0.3797 -0.2698 -0.2698 -0.0804 -0.0804 0.1042 0.1042 0.2834 0.2834 0.3386 0.3386 0.8057 0.8057 1.0690 1.0690 3.5395 3.5395 3.7494 3.7494 4.2331 4.2331 4.4162 4.4162 4.9851 4.9851 7.0582 7.0582 8.0401 8.0401 9.0550 9.0550 9.6259 9.6259 k = 0.0391 0.5023 0.5634 ( 4532 PWs) bands (ev): -7.0723 -7.0723 -6.7075 -6.7075 -2.1769 -2.1769 -1.8868 -1.8868 -1.6814 -1.6814 -1.6086 -1.6086 -0.3811 -0.3811 -0.2660 -0.2660 -0.0807 -0.0807 0.1083 0.1083 0.2843 0.2843 0.3422 0.3422 0.8133 0.8133 1.0759 1.0759 3.4916 3.4916 3.7421 3.7421 4.1978 4.1978 4.4216 4.4216 4.9672 4.9672 7.0420 7.0420 8.0721 8.0721 9.0408 9.0408 9.7197 9.7197 k = 0.0469 0.4893 0.5786 ( 4532 PWs) bands (ev): -7.0715 -7.0715 -6.7067 -6.7067 -2.1772 -2.1772 -1.8869 -1.8869 -1.6799 -1.6799 -1.6063 -1.6063 -0.3827 -0.3827 -0.2615 -0.2615 -0.0811 -0.0811 0.1132 0.1132 0.2854 0.2854 0.3463 0.3463 0.8227 0.8227 1.0844 1.0844 3.4392 3.4392 3.7263 3.7263 4.1629 4.1629 4.4234 4.4234 4.9451 4.9451 7.0201 7.0201 8.1139 8.1139 9.0357 9.0357 9.8204 9.8204 k = 0.0547 0.4762 0.5938 ( 4528 PWs) bands (ev): -7.0706 -7.0706 -6.7059 -6.7059 -2.1776 -2.1776 -1.8870 -1.8870 -1.6781 -1.6781 -1.6037 -1.6037 -0.3843 -0.3843 -0.2565 -0.2565 -0.0815 -0.0815 0.1189 0.1189 0.2870 0.2870 0.3509 0.3509 0.8340 0.8340 1.0944 1.0944 3.3831 3.3831 3.7016 3.7016 4.1297 4.1297 4.4219 4.4219 4.9191 4.9191 6.9923 6.9923 8.1658 8.1658 9.0399 9.0399 9.9267 9.9267 k = 0.0625 0.4631 0.6091 ( 4526 PWs) bands (ev): -7.0696 -7.0696 -6.7049 -6.7049 -2.1780 -2.1780 -1.8871 -1.8871 -1.6761 -1.6761 -1.6008 -1.6008 -0.3860 -0.3860 -0.2512 -0.2512 -0.0820 -0.0820 0.1253 0.1253 0.2890 0.2890 0.3558 0.3558 0.8473 0.8473 1.1059 1.1059 3.3239 3.3239 3.6676 3.6676 4.0987 4.0987 4.4169 4.4169 4.8896 4.8896 6.9588 6.9588 8.2275 8.2275 9.0533 9.0533 10.0376 10.0376 k = 0.0703 0.4500 0.6243 ( 4524 PWs) bands (ev): -7.0685 -7.0685 -6.7038 -6.7038 -2.1784 -2.1784 -1.8872 -1.8872 -1.6738 -1.6738 -1.5975 -1.5975 -0.3876 -0.3876 -0.2456 -0.2456 -0.0826 -0.0826 0.1324 0.1324 0.2914 0.2914 0.3608 0.3608 0.8626 0.8626 1.1189 1.1189 3.2621 3.2621 3.6249 3.6249 4.0704 4.0704 4.4084 4.4084 4.8573 4.8573 6.9205 6.9205 8.2986 8.2986 9.0753 9.0753 10.1521 10.1521 k = 0.0781 0.4370 0.6395 ( 4524 PWs) bands (ev): -7.0673 -7.0673 -6.7027 -6.7027 -2.1789 -2.1789 -1.8873 -1.8873 -1.6714 -1.6714 -1.5940 -1.5940 -0.3891 -0.3891 -0.2397 -0.2397 -0.0832 -0.0832 0.1401 0.1401 0.2943 0.2943 0.3660 0.3660 0.8801 0.8801 1.1333 1.1333 3.1983 3.1983 3.5744 3.5744 4.0442 4.0442 4.3962 4.3962 4.8232 4.8232 6.8781 6.8781 8.3779 8.3779 9.1053 9.1053 10.2697 10.2697 k = 0.0859 0.4239 0.6547 ( 4522 PWs) bands (ev): -7.0660 -7.0660 -6.7015 -6.7015 -2.1794 -2.1794 -1.8875 -1.8875 -1.6688 -1.6688 -1.5902 -1.5902 -0.3906 -0.3906 -0.2337 -0.2337 -0.0838 -0.0838 0.1484 0.1484 0.2977 0.2977 0.3713 0.3713 0.8999 0.8999 1.1491 1.1491 3.1331 3.1331 3.5174 3.5174 4.0194 4.0194 4.3797 4.3797 4.7885 4.7885 6.8329 6.8329 8.4643 8.4643 9.1425 9.1425 10.3895 10.3895 k = 0.0938 0.4108 0.6700 ( 4520 PWs) bands (ev): -7.0647 -7.0647 -6.7002 -6.7002 -2.1800 -2.1800 -1.8876 -1.8876 -1.6661 -1.6661 -1.5862 -1.5862 -0.3920 -0.3920 -0.2277 -0.2277 -0.0845 -0.0845 0.1571 0.1571 0.3015 0.3015 0.3765 0.3765 0.9220 0.9220 1.1663 1.1663 3.0669 3.0669 3.4552 3.4552 3.9954 3.9954 4.3584 4.3584 4.7546 4.7546 6.7858 6.7858 8.5566 8.5566 9.1858 9.1858 10.5110 10.5110 k = 0.1016 0.3978 0.6852 ( 4522 PWs) bands (ev): -7.0632 -7.0632 -6.6988 -6.6988 -2.1805 -2.1805 -1.8877 -1.8877 -1.6632 -1.6632 -1.5821 -1.5821 -0.3932 -0.3932 -0.2216 -0.2216 -0.0853 -0.0853 0.1663 0.1663 0.3057 0.3057 0.3816 0.3816 0.9464 0.9464 1.1847 1.1847 3.0004 3.0004 3.3890 3.3890 3.9714 3.9714 4.3318 4.3318 4.7229 4.7229 6.7378 6.7378 8.6534 8.6534 9.2342 9.2342 10.6335 10.6335 k = 0.1094 0.3847 0.7004 ( 4524 PWs) bands (ev): -7.0618 -7.0618 -6.6974 -6.6974 -2.1811 -2.1811 -1.8878 -1.8878 -1.6602 -1.6602 -1.5778 -1.5778 -0.3944 -0.3944 -0.2156 -0.2156 -0.0862 -0.0862 0.1758 0.1758 0.3103 0.3103 0.3865 0.3865 0.9733 0.9733 1.2044 1.2044 2.9339 2.9339 3.3199 3.3199 3.9468 3.9468 4.2996 4.2996 4.6945 4.6945 6.6897 6.6897 8.7534 8.7534 9.2869 9.2869 10.7565 10.7565 k = 0.1172 0.3716 0.7157 ( 4528 PWs) bands (ev): -7.0603 -7.0603 -6.6960 -6.6960 -2.1817 -2.1817 -1.8879 -1.8879 -1.6572 -1.6572 -1.5734 -1.5734 -0.3954 -0.3954 -0.2096 -0.2096 -0.0871 -0.0871 0.1856 0.1856 0.3153 0.3153 0.3912 0.3912 1.0027 1.0027 1.2251 1.2251 2.8678 2.8678 3.2486 3.2486 3.9214 3.9214 4.2620 4.2620 4.6701 4.6701 6.6422 6.6422 8.8554 8.8554 9.3428 9.3428 10.8793 10.8793 k = 0.1250 0.3586 0.7309 ( 4528 PWs) bands (ev): -7.0588 -7.0588 -6.6946 -6.6946 -2.1823 -2.1823 -1.8880 -1.8880 -1.6541 -1.6541 -1.5689 -1.5689 -0.3963 -0.3963 -0.2036 -0.2036 -0.0882 -0.0882 0.1956 0.1956 0.3206 0.3206 0.3957 0.3957 1.0345 1.0345 1.2468 1.2468 2.8026 2.8026 3.1759 3.1759 3.8949 3.8949 4.2196 4.2196 4.6498 4.6498 6.5961 6.5961 8.9581 8.9581 9.4009 9.4009 11.0011 11.0011 k = 0.1328 0.3455 0.7461 ( 4526 PWs) bands (ev): -7.0573 -7.0573 -6.6931 -6.6931 -2.1828 -2.1828 -1.8881 -1.8881 -1.6510 -1.6510 -1.5645 -1.5645 -0.3971 -0.3971 -0.1978 -0.1978 -0.0893 -0.0893 0.2056 0.2056 0.3262 0.3262 0.3999 0.3999 1.0689 1.0689 1.2694 1.2694 2.7387 2.7387 3.1024 3.1024 3.8674 3.8674 4.1735 4.1735 4.6335 4.6335 6.5517 6.5517 9.0601 9.0601 9.4606 9.4606 11.1210 11.1210 k = 0.1406 0.3324 0.7613 ( 4520 PWs) bands (ev): -7.0558 -7.0558 -6.6917 -6.6917 -2.1834 -2.1834 -1.8882 -1.8882 -1.6479 -1.6479 -1.5600 -1.5600 -0.3978 -0.3978 -0.1921 -0.1921 -0.0906 -0.0906 0.2157 0.2157 0.3319 0.3319 0.4038 0.4038 1.1056 1.1056 1.2927 1.2927 2.6764 2.6764 3.0285 3.0285 3.8388 3.8388 4.1248 4.1248 4.6207 4.6207 6.5095 6.5095 9.1602 9.1602 9.5208 9.5208 11.2379 11.2379 k = 0.1484 0.3193 0.7766 ( 4524 PWs) bands (ev): -7.0543 -7.0543 -6.6903 -6.6903 -2.1839 -2.1839 -1.8882 -1.8882 -1.6449 -1.6449 -1.5557 -1.5557 -0.3985 -0.3985 -0.1866 -0.1866 -0.0919 -0.0919 0.2257 0.2257 0.3378 0.3378 0.4073 0.4073 1.1447 1.1447 1.3166 1.3166 2.6159 2.6159 2.9545 2.9545 3.8094 3.8094 4.0747 4.0747 4.6107 4.6107 6.4698 6.4698 9.2573 9.2573 9.5810 9.5810 11.3505 11.3505 k = 0.1562 0.3063 0.7918 ( 4518 PWs) bands (ev): -7.0529 -7.0529 -6.6889 -6.6889 -2.1845 -2.1845 -1.8883 -1.8883 -1.6419 -1.6419 -1.5514 -1.5514 -0.3990 -0.3990 -0.1811 -0.1811 -0.0934 -0.0934 0.2355 0.2355 0.3437 0.3437 0.4106 0.4106 1.1862 1.1862 1.3407 1.3407 2.5576 2.5576 2.8810 2.8810 3.7794 3.7794 4.0245 4.0245 4.6030 4.6030 6.4328 6.4328 9.3500 9.3500 9.6403 9.6403 11.4570 11.4570 k = 0.1641 0.2932 0.8070 ( 4518 PWs) bands (ev): -7.0515 -7.0515 -6.6876 -6.6876 -2.1850 -2.1850 -1.8884 -1.8884 -1.6391 -1.6391 -1.5473 -1.5473 -0.3994 -0.3994 -0.1759 -0.1759 -0.0951 -0.0951 0.2451 0.2451 0.3496 0.3496 0.4135 0.4135 1.2297 1.2297 1.3649 1.3649 2.5016 2.5016 2.8082 2.8082 3.7493 3.7493 3.9751 3.9751 4.5971 4.5971 6.3987 6.3987 9.4375 9.4375 9.6981 9.6981 11.5551 11.5551 k = 0.1719 0.2801 0.8222 ( 4528 PWs) bands (ev): -7.0502 -7.0502 -6.6864 -6.6864 -2.1855 -2.1855 -1.8884 -1.8884 -1.6364 -1.6364 -1.5434 -1.5434 -0.3998 -0.3998 -0.1707 -0.1707 -0.0968 -0.0968 0.2543 0.2543 0.3554 0.3554 0.4161 0.4161 1.2752 1.2752 1.3890 1.3890 2.4482 2.4482 2.7366 2.7366 3.7194 3.7194 3.9274 3.9274 4.5928 4.5928 6.3676 6.3676 9.5188 9.5188 9.7536 9.7536 11.6415 11.6415 k = 0.1797 0.2671 0.8375 ( 4526 PWs) bands (ev): -7.0490 -7.0490 -6.6852 -6.6852 -2.1859 -2.1859 -1.8885 -1.8885 -1.6338 -1.6338 -1.5398 -1.5398 -0.4001 -0.4001 -0.1658 -0.1658 -0.0988 -0.0988 0.2630 0.2630 0.3610 0.3610 0.4184 0.4184 1.3225 1.3225 1.4126 1.4126 2.3975 2.3975 2.6666 2.6666 3.6903 3.6903 3.8821 3.8821 4.5896 4.5896 6.3395 6.3395 9.5932 9.5932 9.8062 9.8062 11.7133 11.7133 k = 0.1875 0.2540 0.8527 ( 4524 PWs) bands (ev): -7.0479 -7.0479 -6.6842 -6.6842 -2.1863 -2.1863 -1.8885 -1.8885 -1.6315 -1.6315 -1.5364 -1.5364 -0.4004 -0.4004 -0.1609 -0.1609 -0.1008 -0.1008 0.2712 0.2712 0.3663 0.3663 0.4204 0.4204 1.3711 1.3711 1.4355 1.4355 2.3495 2.3495 2.5989 2.5989 3.6625 3.6625 3.8399 3.8399 4.5872 4.5872 6.3145 6.3145 9.6602 9.6602 9.8552 9.8552 11.7691 11.7691 k = 0.1953 0.2409 0.8679 ( 4524 PWs) bands (ev): -7.0469 -7.0469 -6.6832 -6.6832 -2.1867 -2.1867 -1.8885 -1.8885 -1.6293 -1.6293 -1.5333 -1.5333 -0.4006 -0.4006 -0.1563 -0.1563 -0.1030 -0.1030 0.2787 0.2787 0.3712 0.3712 0.4221 0.4221 1.4206 1.4206 1.4574 1.4574 2.3042 2.3042 2.5342 2.5342 3.6365 3.6365 3.8013 3.8013 4.5856 4.5856 6.2925 6.2925 9.7196 9.7196 9.8997 9.8997 11.8109 11.8109 k = 0.2031 0.2279 0.8831 ( 4524 PWs) bands (ev): -7.0460 -7.0460 -6.6823 -6.6823 -2.1870 -2.1870 -1.8886 -1.8886 -1.6274 -1.6274 -1.5305 -1.5305 -0.4008 -0.4008 -0.1519 -0.1519 -0.1054 -0.1054 0.2855 0.2855 0.3756 0.3756 0.4236 0.4236 1.4682 1.4682 1.4800 1.4800 2.2612 2.2612 2.4737 2.4737 3.6128 3.6128 3.7669 3.7669 4.5845 4.5845 6.2735 6.2735 9.7711 9.7711 9.9392 9.9392 11.8412 11.8412 k = 0.2109 0.2148 0.8984 ( 4530 PWs) bands (ev): -7.0452 -7.0452 -6.6816 -6.6816 -2.1873 -2.1873 -1.8886 -1.8886 -1.6258 -1.6258 -1.5282 -1.5282 -0.4009 -0.4009 -0.1477 -0.1477 -0.1078 -0.1078 0.2915 0.2915 0.3796 0.3796 0.4248 0.4248 1.4936 1.4936 1.5226 1.5226 2.2204 2.2204 2.4188 2.4188 3.5919 3.5919 3.7369 3.7369 4.5838 4.5838 6.2576 6.2576 9.8149 9.8149 9.9732 9.9732 11.8616 11.8616 k = 0.2188 0.2017 0.9136 ( 4540 PWs) bands (ev): -7.0445 -7.0445 -6.6810 -6.6810 -2.1875 -2.1875 -1.8886 -1.8886 -1.6244 -1.6244 -1.5262 -1.5262 -0.4010 -0.4010 -0.1437 -0.1437 -0.1103 -0.1103 0.2965 0.2965 0.3829 0.3829 0.4258 0.4258 1.5097 1.5097 1.5703 1.5703 2.1814 2.1814 2.3713 2.3713 3.5743 3.5743 3.7118 3.7118 4.5833 4.5833 6.2446 6.2446 9.8508 9.8508 10.0012 10.0012 11.8740 11.8740 k = 0.2266 0.1886 0.9288 ( 4536 PWs) bands (ev): -7.0440 -7.0440 -6.6805 -6.6805 -2.1877 -2.1877 -1.8886 -1.8886 -1.6233 -1.6233 -1.5246 -1.5246 -0.4011 -0.4011 -0.1401 -0.1401 -0.1127 -0.1127 0.3004 0.3004 0.3855 0.3855 0.4265 0.4265 1.5226 1.5226 1.6148 1.6148 2.1449 2.1449 2.3331 2.3331 3.5602 3.5602 3.6919 3.6919 4.5830 4.5830 6.2346 6.2346 9.8788 9.8788 10.0230 10.0230 11.8805 11.8805 k = 0.2344 0.1756 0.9441 ( 4538 PWs) bands (ev): -7.0437 -7.0437 -6.6801 -6.6801 -2.1878 -2.1878 -1.8886 -1.8886 -1.6225 -1.6225 -1.5235 -1.5235 -0.4012 -0.4012 -0.1370 -0.1370 -0.1150 -0.1150 0.3033 0.3033 0.3874 0.3874 0.4270 0.4270 1.5321 1.5321 1.6525 1.6525 2.1131 2.1131 2.3053 2.3053 3.5500 3.5500 3.6775 3.6775 4.5829 4.5829 6.2274 6.2274 9.8989 9.8989 10.0387 10.0387 11.8834 11.8834 k = 0.2422 0.1625 0.9593 ( 4532 PWs) bands (ev): -7.0434 -7.0434 -6.6799 -6.6799 -2.1879 -2.1879 -1.8886 -1.8886 -1.6220 -1.6220 -1.5228 -1.5228 -0.4012 -0.4012 -0.1348 -0.1348 -0.1167 -0.1167 0.3051 0.3051 0.3885 0.3885 0.4274 0.4274 1.5380 1.5380 1.6787 1.6787 2.0903 2.0903 2.2886 2.2886 3.5437 3.5437 3.6687 3.6687 4.5828 4.5828 6.2232 6.2232 9.9109 9.9109 10.0480 10.0480 11.8844 11.8844 k = 0.2500 0.1494 0.9745 ( 4536 PWs) bands (ev): -7.0434 -7.0434 -6.6798 -6.6798 -2.1879 -2.1879 -1.8886 -1.8886 -1.6219 -1.6219 -1.5226 -1.5226 -0.4012 -0.4012 -0.1339 -0.1339 -0.1174 -0.1174 0.3057 0.3057 0.3889 0.3889 0.4275 0.4275 1.5400 1.5400 1.6883 1.6883 2.0819 2.0819 2.2831 2.2831 3.5417 3.5417 3.6658 3.6658 4.5828 4.5828 6.2217 6.2217 9.9150 9.9150 10.0511 10.0511 11.8846 11.8846 k = 0.2500 0.1494 0.9745 ( 4536 PWs) bands (ev): -7.0434 -7.0434 -6.6798 -6.6798 -2.1879 -2.1879 -1.8886 -1.8886 -1.6219 -1.6219 -1.5226 -1.5226 -0.4012 -0.4012 -0.1339 -0.1339 -0.1174 -0.1174 0.3057 0.3057 0.3889 0.3889 0.4275 0.4275 1.5400 1.5400 1.6883 1.6883 2.0819 2.0819 2.2831 2.2831 3.5417 3.5417 3.6658 3.6658 4.5828 4.5828 6.2217 6.2217 9.9150 9.9150 10.0511 10.0511 11.8846 11.8846 k = 0.2656 0.1588 0.9636 ( 4532 PWs) bands (ev): -7.0436 -7.0436 -6.6796 -6.6796 -2.1889 -2.1889 -1.8884 -1.8884 -1.6219 -1.6219 -1.5226 -1.5226 -0.4021 -0.4021 -0.1406 -0.1406 -0.1085 -0.1085 0.3055 0.3055 0.3888 0.3888 0.4277 0.4277 1.5336 1.5336 1.6940 1.6940 2.0797 2.0797 2.2899 2.2899 3.5366 3.5366 3.6699 3.6699 4.5685 4.5685 6.2393 6.2393 9.8997 9.8997 10.0663 10.0663 11.8674 11.8674 k = 0.2812 0.1681 0.9527 ( 4529 PWs) bands (ev): -7.0441 -7.0441 -6.6789 -6.6789 -2.1918 -2.1918 -1.8878 -1.8878 -1.6221 -1.6221 -1.5226 -1.5226 -0.4047 -0.4047 -0.1500 -0.1500 -0.0926 -0.0926 0.3050 0.3050 0.3885 0.3885 0.4284 0.4284 1.5170 1.5170 1.7093 1.7093 2.0725 2.0725 2.3106 2.3106 3.5237 3.5237 3.6796 3.6796 4.5281 4.5281 6.2897 6.2897 9.8637 9.8637 10.1016 10.1016 11.8189 11.8189 k = 0.2969 0.1775 0.9419 ( 4527 PWs) bands (ev): -7.0450 -7.0450 -6.6779 -6.6779 -2.1964 -2.1964 -1.8867 -1.8867 -1.6224 -1.6224 -1.5226 -1.5226 -0.4087 -0.4087 -0.1581 -0.1581 -0.0741 -0.0741 0.3041 0.3041 0.3879 0.3879 0.4295 0.4295 1.4944 1.4944 1.7303 1.7303 2.0616 2.0616 2.3433 2.3433 3.5065 3.5065 3.6908 3.6908 4.4676 4.4676 6.3674 6.3674 9.8187 9.8187 10.1453 10.1453 11.7460 11.7460 k = 0.3125 0.1868 0.9310 ( 4531 PWs) bands (ev): -7.0461 -7.0461 -6.6766 -6.6766 -2.2025 -2.2025 -1.8854 -1.8854 -1.6228 -1.6228 -1.5227 -1.5227 -0.4139 -0.4139 -0.1649 -0.1649 -0.0537 -0.0537 0.3029 0.3029 0.3871 0.3871 0.4310 0.4310 1.4685 1.4685 1.7547 1.7547 2.0491 2.0491 2.3855 2.3855 3.4868 3.4868 3.7005 3.7005 4.3947 4.3947 6.4659 6.4659 9.7690 9.7690 10.1924 10.1924 11.6549 11.6549 k = 0.3281 0.1961 0.9201 ( 4531 PWs) bands (ev): -7.0473 -7.0473 -6.6752 -6.6752 -2.2098 -2.2098 -1.8839 -1.8839 -1.6234 -1.6234 -1.5228 -1.5228 -0.4196 -0.4196 -0.1703 -0.1703 -0.0322 -0.0322 0.3013 0.3013 0.3860 0.3860 0.4328 0.4328 1.4411 1.4411 1.7810 1.7810 2.0373 2.0373 2.4346 2.4346 3.4654 3.4654 3.7061 3.7061 4.3173 4.3173 6.5791 6.5791 9.7162 9.7162 10.2412 10.2412 11.5505 11.5505 k = 0.3438 0.2055 0.9092 ( 4532 PWs) bands (ev): -7.0485 -7.0485 -6.6738 -6.6738 -2.2180 -2.2180 -1.8823 -1.8823 -1.6240 -1.6240 -1.5229 -1.5229 -0.4258 -0.4258 -0.1748 -0.1748 -0.0101 -0.0101 0.2994 0.2994 0.3848 0.3848 0.4349 0.4349 1.4131 1.4131 1.8077 1.8077 2.0282 2.0282 2.4887 2.4887 3.4416 3.4416 3.7056 3.7056 4.2429 4.2429 6.7019 6.7019 9.6610 9.6610 10.2903 10.2903 11.4363 11.4363 k = 0.3594 0.2148 0.8983 ( 4530 PWs) bands (ev): -7.0498 -7.0498 -6.6724 -6.6724 -2.2268 -2.2268 -1.8807 -1.8807 -1.6248 -1.6248 -1.5231 -1.5231 -0.4319 -0.4319 -0.1785 -0.1785 0.0121 0.0121 0.2970 0.2970 0.3834 0.3834 0.4372 0.4372 1.3850 1.3850 1.8331 1.8331 2.0242 2.0242 2.5463 2.5463 3.4139 3.4139 3.6978 3.6978 4.1782 4.1782 6.8300 6.8300 9.6038 9.6038 10.3388 10.3388 11.3161 11.3161 k = 0.3750 0.2242 0.8875 ( 4526 PWs) bands (ev): -7.0508 -7.0508 -6.6712 -6.6712 -2.2356 -2.2356 -1.8792 -1.8792 -1.6257 -1.6257 -1.5234 -1.5234 -0.4378 -0.4378 -0.1814 -0.1814 0.0336 0.0336 0.2942 0.2942 0.3818 0.3818 0.4395 0.4395 1.3572 1.3572 1.8549 1.8549 2.0281 2.0281 2.6059 2.6059 3.3798 3.3798 3.6837 3.6837 4.1282 4.1282 6.9597 6.9597 9.5446 9.5446 10.3856 10.3856 11.1937 11.1937 k = 0.3906 0.2335 0.8766 ( 4530 PWs) bands (ev): -7.0518 -7.0518 -6.6702 -6.6702 -2.2443 -2.2443 -1.8778 -1.8778 -1.6266 -1.6266 -1.5238 -1.5238 -0.4433 -0.4433 -0.1838 -0.1838 0.0540 0.0540 0.2910 0.2910 0.3800 0.3800 0.4419 0.4419 1.3300 1.3300 1.8708 1.8708 2.0419 2.0419 2.6664 2.6664 3.3370 3.3370 3.6674 3.6674 4.0940 4.0940 7.0879 7.0879 9.4838 9.4838 10.4290 10.4290 11.0735 11.0735 k = 0.4062 0.2428 0.8657 ( 4527 PWs) bands (ev): -7.0524 -7.0524 -6.6697 -6.6697 -2.2526 -2.2526 -1.8766 -1.8766 -1.6276 -1.6276 -1.5243 -1.5243 -0.4483 -0.4483 -0.1857 -0.1857 0.0726 0.0726 0.2874 0.2874 0.3780 0.3780 0.4441 0.4441 1.3036 1.3036 1.8803 1.8803 2.0657 2.0657 2.7260 2.7260 3.2849 3.2849 3.6548 3.6548 4.0736 4.0736 7.2112 7.2112 9.4216 9.4216 10.4665 10.4665 10.9608 10.9608 k = 0.4219 0.2522 0.8548 ( 4525 PWs) bands (ev): -7.0528 -7.0528 -6.6696 -6.6696 -2.2600 -2.2600 -1.8756 -1.8756 -1.6288 -1.6288 -1.5250 -1.5250 -0.4526 -0.4526 -0.1872 -0.1872 0.0889 0.0889 0.2836 0.2836 0.3758 0.3758 0.4461 0.4461 1.2783 1.2783 1.8854 1.8854 2.0966 2.0966 2.7829 2.7829 3.2268 3.2268 3.6503 3.6503 4.0633 4.0633 7.3264 7.3264 9.3581 9.3581 10.4936 10.4936 10.8631 10.8631 k = 0.4375 0.2615 0.8439 ( 4524 PWs) bands (ev): -7.0528 -7.0528 -6.6700 -6.6700 -2.2664 -2.2664 -1.8748 -1.8748 -1.6299 -1.6299 -1.5258 -1.5258 -0.4564 -0.4564 -0.1883 -0.1883 0.1025 0.1025 0.2797 0.2797 0.3733 0.3733 0.4479 0.4479 1.2542 1.2542 1.8885 1.8885 2.1304 2.1304 2.8338 2.8338 3.1697 3.1697 3.6559 3.6559 4.0595 4.0595 7.4296 7.4296 9.2940 9.2940 10.5026 10.5026 10.7909 10.7909 k = 0.4531 0.2709 0.8330 ( 4519 PWs) bands (ev): -7.0524 -7.0524 -6.6710 -6.6710 -2.2715 -2.2715 -1.8742 -1.8742 -1.6312 -1.6312 -1.5267 -1.5267 -0.4594 -0.4594 -0.1891 -0.1891 0.1128 0.1128 0.2758 0.2758 0.3705 0.3705 0.4492 0.4492 1.2315 1.2315 1.8912 1.8912 2.1628 2.1628 2.8729 2.8729 3.1247 3.1247 3.6718 3.6718 4.0597 4.0597 7.5169 7.5169 9.2302 9.2302 10.4875 10.4875 10.7529 10.7529 k = 0.4688 0.2802 0.8222 ( 4518 PWs) bands (ev): -7.0517 -7.0517 -6.6725 -6.6725 -2.2753 -2.2753 -1.8739 -1.8739 -1.6325 -1.6325 -1.5278 -1.5278 -0.4618 -0.4618 -0.1895 -0.1895 0.1195 0.1195 0.2721 0.2721 0.3674 0.3674 0.4501 0.4501 1.2104 1.2104 1.8946 1.8946 2.1887 2.1887 2.8925 2.8925 3.1054 3.1054 3.6976 3.6976 4.0625 4.0625 7.5840 7.5840 9.1680 9.1680 10.4566 10.4566 10.7431 10.7431 k = 0.4844 0.2895 0.8113 ( 4520 PWs) bands (ev): -7.0507 -7.0507 -6.6747 -6.6747 -2.2774 -2.2774 -1.8739 -1.8739 -1.6338 -1.6338 -1.5290 -1.5290 -0.4634 -0.4634 -0.1896 -0.1896 0.1224 0.1224 0.2688 0.2688 0.3640 0.3640 0.4506 0.4506 1.1910 1.1910 1.8990 1.8990 2.2030 2.2030 2.8943 2.8943 3.1164 3.1164 3.7325 3.7325 4.0669 4.0669 7.6266 7.6266 9.1091 9.1091 10.4270 10.4270 10.7459 10.7459 k = 0.5000 0.2989 0.8004 ( 4512 PWs) bands (ev): -7.0493 -7.0493 -6.6773 -6.6773 -2.2780 -2.2780 -1.8741 -1.8741 -1.6352 -1.6352 -1.5303 -1.5303 -0.4642 -0.4642 -0.1894 -0.1894 0.1212 0.1212 0.2659 0.2659 0.3603 0.3603 0.4505 0.4505 1.1734 1.1734 1.9044 1.9044 2.2018 2.2018 2.8946 2.8946 3.1465 3.1465 3.7755 3.7755 4.0728 4.0728 7.6416 7.6416 9.0554 9.0554 10.4102 10.4102 10.7508 10.7508 k = 0.5000 0.2989 0.8004 ( 4512 PWs) bands (ev): -7.0493 -7.0493 -6.6773 -6.6773 -2.2780 -2.2780 -1.8741 -1.8741 -1.6352 -1.6352 -1.5303 -1.5303 -0.4642 -0.4642 -0.1894 -0.1894 0.1212 0.1212 0.2659 0.2659 0.3603 0.3603 0.4505 0.4505 1.1734 1.1734 1.9044 1.9044 2.2018 2.2018 2.8946 2.8946 3.1465 3.1465 3.7755 3.7755 4.0728 4.0728 7.6416 7.6416 9.0554 9.0554 10.4102 10.4102 10.7508 10.7508 k = 0.5000 0.2989 0.7793 ( 4518 PWs) bands (ev): -7.0462 -7.0462 -6.6833 -6.6833 -2.2774 -2.2774 -1.8747 -1.8747 -1.6380 -1.6380 -1.5332 -1.5332 -0.4652 -0.4652 -0.1889 -0.1889 0.1148 0.1148 0.2603 0.2603 0.3528 0.3528 0.4498 0.4498 1.1412 1.1412 1.9153 1.9153 2.1853 2.1853 2.9026 2.9026 3.2186 3.2186 3.8661 3.8661 4.0873 4.0873 7.6429 7.6429 8.9565 8.9565 10.3900 10.3900 10.7588 10.7588 k = 0.5000 0.2989 0.7583 ( 4526 PWs) bands (ev): -7.0429 -7.0429 -6.6899 -6.6899 -2.2768 -2.2768 -1.8754 -1.8754 -1.6409 -1.6409 -1.5364 -1.5364 -0.4662 -0.4662 -0.1884 -0.1884 0.1079 0.1079 0.2543 0.2543 0.3453 0.3453 0.4491 0.4491 1.1096 1.1096 1.9257 1.9257 2.1733 2.1733 2.9099 2.9099 3.2953 3.2953 3.9567 3.9567 4.1053 4.1053 7.6447 7.6447 8.8570 8.8570 10.3634 10.3634 10.7666 10.7666 k = 0.5000 0.2989 0.7372 ( 4514 PWs) bands (ev): -7.0394 -7.0394 -6.6970 -6.6970 -2.2762 -2.2762 -1.8762 -1.8762 -1.6440 -1.6440 -1.5397 -1.5397 -0.4672 -0.4672 -0.1879 -0.1879 0.1004 0.1004 0.2479 0.2479 0.3380 0.3380 0.4483 0.4483 1.0790 1.0790 1.9352 1.9352 2.1662 2.1662 2.9178 2.9178 3.3742 3.3742 4.0420 4.0420 4.1310 4.1310 7.6473 7.6473 8.7587 8.7587 10.3307 10.3307 10.7738 10.7738 k = 0.5000 0.2989 0.7161 ( 4522 PWs) bands (ev): -7.0356 -7.0356 -6.7047 -6.7047 -2.2755 -2.2755 -1.8771 -1.8771 -1.6471 -1.6471 -1.5431 -1.5431 -0.4682 -0.4682 -0.1874 -0.1874 0.0925 0.0925 0.2411 0.2411 0.3309 0.3309 0.4475 0.4475 1.0499 1.0499 1.9436 1.9436 2.1641 2.1641 2.9268 2.9268 3.4537 3.4537 4.1046 4.1046 4.1808 4.1808 7.6507 7.6507 8.6633 8.6633 10.2923 10.2923 10.7798 10.7798 k = 0.5000 0.2989 0.6951 ( 4522 PWs) bands (ev): -7.0317 -7.0317 -6.7130 -6.7130 -2.2748 -2.2748 -1.8780 -1.8780 -1.6502 -1.6502 -1.5467 -1.5467 -0.4692 -0.4692 -0.1869 -0.1869 0.0842 0.0842 0.2340 0.2340 0.3243 0.3243 0.4468 0.4468 1.0226 1.0226 1.9505 1.9505 2.1670 2.1670 2.9373 2.9373 3.5323 3.5323 4.1397 4.1397 4.2583 4.2583 7.6551 7.6551 8.5725 8.5725 10.2490 10.2490 10.7841 10.7841 k = 0.5000 0.2989 0.6740 ( 4518 PWs) bands (ev): -7.0276 -7.0276 -6.7217 -6.7217 -2.2741 -2.2741 -1.8791 -1.8791 -1.6534 -1.6534 -1.5503 -1.5503 -0.4701 -0.4701 -0.1865 -0.1865 0.0758 0.0758 0.2266 0.2266 0.3183 0.3183 0.4460 0.4460 0.9973 0.9973 1.9561 1.9561 2.1747 2.1747 2.9490 2.9490 3.6088 3.6088 4.1680 4.1680 4.3418 4.3418 7.6606 7.6606 8.4880 8.4880 10.2014 10.2014 10.7861 10.7861 k = 0.5000 0.2989 0.6530 ( 4514 PWs) bands (ev): -7.0234 -7.0234 -6.7309 -6.7309 -2.2734 -2.2734 -1.8801 -1.8801 -1.6564 -1.6564 -1.5539 -1.5539 -0.4709 -0.4708 -0.1861 -0.1861 0.0673 0.0673 0.2191 0.2191 0.3129 0.3129 0.4453 0.4453 0.9742 0.9742 1.9608 1.9608 2.1866 2.1866 2.9619 2.9619 3.6819 3.6819 4.1971 4.1971 4.4226 4.4226 7.6672 7.6672 8.4119 8.4119 10.1500 10.1500 10.7850 10.7850 k = 0.5000 0.2989 0.6319 ( 4522 PWs) bands (ev): -7.0192 -7.0192 -6.7405 -6.7405 -2.2727 -2.2727 -1.8813 -1.8813 -1.6594 -1.6594 -1.5575 -1.5575 -0.4715 -0.4715 -0.1858 -0.1858 0.0589 0.0589 0.2116 0.2116 0.3083 0.3083 0.4447 0.4447 0.9534 0.9534 1.9650 1.9650 2.2022 2.2022 2.9759 2.9759 3.7503 3.7503 4.2291 4.2291 4.4974 4.4974 7.6749 7.6749 8.3462 8.3462 10.0955 10.0955 10.7804 10.7804 k = 0.5000 0.2989 0.6108 ( 4524 PWs) bands (ev): -7.0148 -7.0148 -6.7504 -6.7504 -2.2720 -2.2720 -1.8824 -1.8824 -1.6622 -1.6622 -1.5611 -1.5611 -0.4720 -0.4720 -0.1856 -0.1856 0.0506 0.0506 0.2041 0.2041 0.3044 0.3044 0.4443 0.4443 0.9348 0.9348 1.9693 1.9693 2.2208 2.2208 2.9908 2.9908 3.8127 3.8127 4.2647 4.2647 4.5642 4.5642 7.6835 7.6835 8.2928 8.2928 10.0387 10.0387 10.7717 10.7717 k = 0.5000 0.2989 0.5898 ( 4526 PWs) bands (ev): -7.0105 -7.0105 -6.7608 -6.7608 -2.2713 -2.2713 -1.8837 -1.8837 -1.6649 -1.6649 -1.5645 -1.5645 -0.4724 -0.4724 -0.1854 -0.1854 0.0427 0.0427 0.1968 0.1968 0.3013 0.3013 0.4439 0.4439 0.9184 0.9184 1.9740 1.9740 2.2417 2.2417 3.0064 3.0064 3.8682 3.8682 4.3043 4.3043 4.6212 4.6212 7.6929 7.6929 8.2539 8.2539 9.9800 9.9800 10.7586 10.7586 k = 0.5000 0.2989 0.5687 ( 4530 PWs) bands (ev): -7.0062 -7.0062 -6.7713 -6.7713 -2.2706 -2.2706 -1.8849 -1.8849 -1.6674 -1.6674 -1.5678 -1.5678 -0.4725 -0.4725 -0.1854 -0.1854 0.0351 0.0351 0.1899 0.1899 0.2989 0.2989 0.4438 0.4438 0.9043 0.9043 1.9796 1.9796 2.2645 2.2645 3.0226 3.0226 3.9163 3.9163 4.3473 4.3473 4.6671 4.6671 7.7024 7.7024 8.2314 8.2314 9.9201 9.9201 10.7407 10.7407 k = 0.5000 0.2989 0.5476 ( 4534 PWs) bands (ev): -7.0019 -7.0019 -6.7822 -6.7822 -2.2700 -2.2700 -1.8862 -1.8862 -1.6697 -1.6697 -1.5709 -1.5709 -0.4724 -0.4724 -0.1854 -0.1854 0.0279 0.0279 0.1833 0.1833 0.2972 0.2972 0.4438 0.4438 0.8924 0.8924 1.9864 1.9864 2.2887 2.2887 3.0391 3.0391 3.9571 3.9571 4.3926 4.3926 4.7010 4.7010 7.7116 7.7116 8.2270 8.2270 9.8597 9.8597 10.7166 10.7166 k = 0.5000 0.2989 0.5266 ( 4526 PWs) bands (ev): -6.9976 -6.9976 -6.7932 -6.7932 -2.2694 -2.2694 -1.8875 -1.8875 -1.6717 -1.6717 -1.5738 -1.5738 -0.4719 -0.4719 -0.1855 -0.1855 0.0213 0.0213 0.1773 0.1773 0.2961 0.2961 0.4441 0.4441 0.8825 0.8825 1.9946 1.9946 2.3140 2.3140 3.0558 3.0558 3.9910 3.9910 4.4384 4.4384 4.7229 4.7229 7.7197 7.7197 8.2416 8.2416 9.7995 9.7995 10.6813 10.6813 k = 0.5000 0.2989 0.5055 ( 4518 PWs) bands (ev): -6.9935 -6.9935 -6.8044 -6.8044 -2.2688 -2.2688 -1.8888 -1.8888 -1.6736 -1.6736 -1.5764 -1.5764 -0.4712 -0.4712 -0.1858 -0.1858 0.0153 0.0153 0.1720 0.1720 0.2957 0.2957 0.4445 0.4445 0.8747 0.8747 2.0043 2.0043 2.3401 2.3401 3.0724 3.0724 4.0187 4.0187 4.4823 4.4823 4.7335 4.7335 7.7261 7.7261 8.2757 8.2757 9.7405 9.7405 10.6267 10.6267 k = 0.5000 0.2989 0.4845 ( 4518 PWs) bands (ev): -6.9894 -6.9894 -6.8156 -6.8156 -2.2683 -2.2683 -1.8901 -1.8901 -1.6752 -1.6752 -1.5787 -1.5787 -0.4700 -0.4700 -0.1861 -0.1861 0.0098 0.0098 0.1672 0.1672 0.2958 0.2958 0.4453 0.4453 0.8689 0.8689 2.0157 2.0157 2.3667 2.3667 3.0888 3.0888 4.0406 4.0406 4.5211 4.5211 4.7353 4.7353 7.7302 7.7302 8.3287 8.3287 9.6835 9.6835 10.5641 10.5641 k = 0.5000 0.2989 0.4634 ( 4514 PWs) bands (ev): -6.9855 -6.9855 -6.8269 -6.8269 -2.2678 -2.2678 -1.8914 -1.8914 -1.6766 -1.6766 -1.5808 -1.5808 -0.4685 -0.4685 -0.1865 -0.1865 0.0049 0.0049 0.1632 0.1632 0.2964 0.2964 0.4462 0.4462 0.8651 0.8651 2.0288 2.0288 2.3936 2.3936 3.1048 3.1048 4.0572 4.0572 4.5502 4.5502 4.7331 4.7331 7.7314 7.7314 8.3997 8.3997 9.6295 9.6295 10.5075 10.5075 k = 0.5000 0.2989 0.4423 ( 4516 PWs) bands (ev): -6.9818 -6.9818 -6.8381 -6.8381 -2.2674 -2.2674 -1.8926 -1.8926 -1.6778 -1.6778 -1.5826 -1.5826 -0.4667 -0.4667 -0.1870 -0.1870 0.0005 0.0005 0.1599 0.1599 0.2975 0.2975 0.4474 0.4474 0.8632 0.8632 2.0437 2.0437 2.4205 2.4205 3.1202 3.1202 4.0682 4.0682 4.5636 4.5636 4.7336 4.7336 7.7291 7.7291 8.4870 8.4870 9.5797 9.5797 10.4620 10.4620 k = 0.5000 0.2989 0.4213 ( 4516 PWs) bands (ev): -6.9782 -6.9782 -6.8493 -6.8493 -2.2670 -2.2670 -1.8938 -1.8938 -1.6788 -1.6788 -1.5841 -1.5841 -0.4644 -0.4644 -0.1876 -0.1876 -0.0034 -0.0034 0.1574 0.1574 0.2990 0.2990 0.4489 0.4489 0.8633 0.8633 2.0604 2.0604 2.4474 2.4474 3.1346 3.1346 4.0731 4.0731 4.5579 4.5579 4.7421 4.7421 7.7227 7.7227 8.5887 8.5887 9.5348 9.5348 10.4297 10.4297 k = 0.5000 0.2989 0.4002 ( 4508 PWs) bands (ev): -6.9747 -6.9747 -6.8604 -6.8604 -2.2667 -2.2667 -1.8950 -1.8950 -1.6796 -1.6796 -1.5853 -1.5853 -0.4617 -0.4617 -0.1883 -0.1883 -0.0069 -0.0069 0.1556 0.1556 0.3008 0.3008 0.4506 0.4506 0.8652 0.8652 2.0789 2.0789 2.4739 2.4739 3.1479 3.1479 4.0711 4.0711 4.5373 4.5373 4.7569 4.7569 7.7116 7.7116 8.7029 8.7029 9.4955 9.4955 10.4116 10.4116 k = 0.5000 0.2989 0.3791 ( 4508 PWs) bands (ev): -6.9715 -6.9715 -6.8712 -6.8712 -2.2664 -2.2664 -1.8961 -1.8961 -1.6802 -1.6802 -1.5862 -1.5862 -0.4586 -0.4586 -0.1891 -0.1891 -0.0099 -0.0099 0.1545 0.1545 0.3029 0.3029 0.4525 0.4525 0.8691 0.8691 2.0990 2.0990 2.5000 2.5000 3.1599 3.1599 4.0610 4.0610 4.5095 4.5095 4.7730 4.7730 7.6956 7.6956 8.8271 8.8271 9.4623 9.4623 10.4082 10.4082 k = 0.5000 0.2989 0.3581 ( 4522 PWs) bands (ev): -6.9685 -6.9685 -6.8819 -6.8819 -2.2662 -2.2662 -1.8971 -1.8971 -1.6806 -1.6806 -1.5868 -1.5868 -0.4552 -0.4552 -0.1899 -0.1899 -0.0126 -0.0126 0.1540 0.1540 0.3052 0.3052 0.4547 0.4547 0.8749 0.8749 2.1208 2.1208 2.5254 2.5254 3.1702 3.1702 4.0415 4.0415 4.4809 4.4809 4.7870 4.7870 7.6748 7.6748 8.9585 8.9585 9.4360 9.4360 10.4188 10.4188 k = 0.5000 0.2989 0.3370 ( 4522 PWs) bands (ev): -6.9656 -6.9656 -6.8922 -6.8922 -2.2660 -2.2660 -1.8981 -1.8981 -1.6809 -1.6809 -1.5872 -1.5872 -0.4515 -0.4515 -0.1907 -0.1907 -0.0149 -0.0149 0.1541 0.1541 0.3077 0.3077 0.4570 0.4570 0.8826 0.8826 2.1439 2.1439 2.5500 2.5500 3.1786 3.1786 4.0122 4.0122 4.4556 4.4556 4.7972 4.7972 7.6496 7.6496 9.0923 9.0923 9.4189 9.4189 10.4396 10.4396 k = 0.5000 0.2989 0.3159 ( 4526 PWs) bands (ev): -6.9630 -6.9630 -6.9022 -6.9022 -2.2659 -2.2659 -1.8991 -1.8991 -1.6810 -1.6810 -1.5874 -1.5874 -0.4474 -0.4474 -0.1917 -0.1917 -0.0170 -0.0170 0.1548 0.1548 0.3103 0.3103 0.4594 0.4594 0.8922 0.8922 2.1681 2.1681 2.5737 2.5737 3.1849 3.1849 3.9739 3.9739 4.4354 4.4354 4.8030 4.8030 7.6206 7.6206 9.2153 9.2153 9.4213 9.4213 10.4557 10.4557 k = 0.5000 0.2989 0.2949 ( 4534 PWs) bands (ev): -6.9606 -6.9606 -6.9118 -6.9118 -2.2657 -2.2657 -1.8999 -1.8999 -1.6810 -1.6810 -1.5874 -1.5874 -0.4432 -0.4432 -0.1926 -0.1926 -0.0188 -0.0188 0.1559 0.1559 0.3130 0.3130 0.4619 0.4619 0.9037 0.9037 2.1932 2.1932 2.5964 2.5964 3.1888 3.1888 3.9284 3.9284 4.4205 4.4205 4.8043 4.8043 7.5888 7.5888 9.2886 9.2886 9.4793 9.4793 10.4567 10.4567 k = 0.5000 0.2989 0.2738 ( 4530 PWs) bands (ev): -6.9584 -6.9584 -6.9210 -6.9210 -2.2657 -2.2657 -1.9007 -1.9007 -1.6809 -1.6809 -1.5872 -1.5872 -0.4389 -0.4389 -0.1936 -0.1936 -0.0204 -0.0204 0.1575 0.1575 0.3157 0.3157 0.4644 0.4644 0.9170 0.9170 2.2187 2.2187 2.6179 2.6179 3.1900 3.1900 3.8783 3.8783 4.4099 4.4099 4.8013 4.8013 7.5551 7.5551 9.3034 9.3034 9.5983 9.5983 10.4536 10.4536 k = 0.5000 0.2989 0.2528 ( 4526 PWs) bands (ev): -6.9564 -6.9564 -6.9297 -6.9297 -2.2656 -2.2656 -1.9015 -1.9015 -1.6807 -1.6807 -1.5868 -1.5868 -0.4344 -0.4344 -0.1945 -0.1945 -0.0218 -0.0218 0.1593 0.1593 0.3183 0.3183 0.4670 0.4670 0.9320 0.9320 2.2440 2.2440 2.6383 2.6383 3.1885 3.1885 3.8262 3.8262 4.4024 4.4024 4.7946 4.7946 7.5207 7.5207 9.2995 9.2995 9.7348 9.7348 10.4537 10.4537 k = 0.5000 0.2989 0.2317 ( 4530 PWs) bands (ev): -6.9545 -6.9545 -6.9379 -6.9379 -2.2655 -2.2655 -1.9021 -1.9021 -1.6805 -1.6805 -1.5864 -1.5864 -0.4300 -0.4300 -0.1955 -0.1955 -0.0230 -0.0230 0.1614 0.1614 0.3208 0.3208 0.4695 0.4695 0.9485 0.9485 2.2684 2.2684 2.6576 2.6576 3.1843 3.1843 3.7747 3.7747 4.3969 4.3969 4.7847 4.7847 7.4865 7.4865 9.2914 9.2914 9.8693 9.8693 10.4608 10.4608 k = 0.5000 0.2989 0.2106 ( 4524 PWs) bands (ev): -6.9529 -6.9529 -6.9454 -6.9454 -2.2655 -2.2655 -1.9027 -1.9027 -1.6802 -1.6802 -1.5859 -1.5859 -0.4257 -0.4257 -0.1964 -0.1964 -0.0241 -0.0241 0.1636 0.1636 0.3232 0.3232 0.4719 0.4719 0.9663 0.9663 2.2913 2.2913 2.6759 2.6759 3.1777 3.1777 3.7253 3.7253 4.3925 4.3925 4.7725 4.7725 7.4533 7.4533 9.2826 9.2826 9.9919 9.9919 10.4787 10.4787 k = 0.5000 0.2989 0.1896 ( 4528 PWs) bands (ev): -6.9524 -6.9524 -6.9514 -6.9514 -2.2655 -2.2655 -1.9033 -1.9033 -1.6799 -1.6799 -1.5853 -1.5853 -0.4215 -0.4215 -0.1973 -0.1973 -0.0251 -0.0251 0.1658 0.1658 0.3255 0.3255 0.4742 0.4742 0.9850 0.9850 2.3117 2.3117 2.6933 2.6933 3.1692 3.1692 3.6795 3.6795 4.3884 4.3884 4.7588 4.7588 7.4219 7.4219 9.2742 9.2742 10.0936 10.0936 10.5122 10.5122 k = 0.5000 0.2989 0.1685 ( 4536 PWs) bands (ev): -6.9588 -6.9588 -6.9502 -6.9502 -2.2655 -2.2655 -1.9037 -1.9037 -1.6796 -1.6796 -1.5847 -1.5847 -0.4175 -0.4175 -0.1982 -0.1982 -0.0260 -0.0260 0.1680 0.1680 0.3275 0.3275 0.4763 0.4763 1.0044 1.0044 2.3288 2.3288 2.7101 2.7101 3.1595 3.1595 3.6379 3.6379 4.3843 4.3843 4.7445 4.7445 7.3927 7.3927 9.2665 9.2665 10.1681 10.1681 10.5632 10.5632 k = 0.5000 0.2989 0.1474 ( 4528 PWs) bands (ev): -6.9645 -6.9645 -6.9491 -6.9491 -2.2655 -2.2655 -1.9042 -1.9042 -1.6793 -1.6793 -1.5841 -1.5841 -0.4138 -0.4138 -0.1990 -0.1990 -0.0267 -0.0267 0.1702 0.1702 0.3294 0.3294 0.4782 0.4782 1.0238 1.0238 2.3420 2.3420 2.7264 2.7264 3.1496 3.1496 3.6008 3.6008 4.3800 4.3800 4.7303 4.7303 7.3664 7.3664 9.2596 9.2596 10.2166 10.2166 10.6264 10.6264 k = 0.5000 0.2989 0.1264 ( 4524 PWs) bands (ev): -6.9694 -6.9694 -6.9481 -6.9481 -2.2655 -2.2655 -1.9045 -1.9045 -1.6790 -1.6790 -1.5836 -1.5836 -0.4105 -0.4105 -0.1997 -0.1997 -0.0274 -0.0274 0.1721 0.1721 0.3311 0.3311 0.4799 0.4799 1.0428 1.0428 2.3510 2.3510 2.7423 2.7423 3.1404 3.1404 3.5681 3.5681 4.3753 4.3753 4.7170 4.7170 7.3431 7.3431 9.2536 9.2536 10.2467 10.2467 10.6903 10.6903 k = 0.5000 0.2989 0.1053 ( 4520 PWs) bands (ev): -6.9737 -6.9737 -6.9474 -6.9474 -2.2655 -2.2655 -1.9048 -1.9048 -1.6787 -1.6787 -1.5830 -1.5830 -0.4076 -0.4076 -0.2003 -0.2003 -0.0279 -0.0279 0.1739 0.1739 0.3325 0.3325 0.4813 0.4813 1.0606 1.0606 2.3560 2.3560 2.7575 2.7575 3.1326 3.1326 3.5399 3.5399 4.3705 4.3705 4.7052 4.7052 7.3231 7.3231 9.2486 9.2486 10.2658 10.2658 10.7456 10.7456 k = 0.5000 0.2989 0.0843 ( 4512 PWs) bands (ev): -6.9772 -6.9772 -6.9467 -6.9467 -2.2655 -2.2655 -1.9051 -1.9051 -1.6785 -1.6785 -1.5826 -1.5826 -0.4052 -0.4052 -0.2008 -0.2008 -0.0283 -0.0283 0.1754 0.1754 0.3337 0.3337 0.4825 0.4825 1.0765 1.0765 2.3577 2.3577 2.7716 2.7716 3.1268 3.1268 3.5159 3.5159 4.3658 4.3658 4.6952 4.6952 7.3067 7.3067 9.2446 9.2446 10.2784 10.2784 10.7878 10.7878 k = 0.5000 0.2989 0.0632 ( 4504 PWs) bands (ev): -6.9799 -6.9799 -6.9463 -6.9463 -2.2655 -2.2655 -1.9052 -1.9052 -1.6783 -1.6783 -1.5822 -1.5822 -0.4032 -0.4032 -0.2013 -0.2013 -0.0287 -0.0287 0.1766 0.1766 0.3347 0.3347 0.4834 0.4834 1.0898 1.0898 2.3572 2.3572 2.7837 2.7837 3.1229 3.1229 3.4966 3.4966 4.3615 4.3615 4.6874 4.6874 7.2938 7.2938 9.2415 9.2415 10.2870 10.2870 10.8167 10.8167 k = 0.5000 0.2989 0.0421 ( 4502 PWs) bands (ev): -6.9819 -6.9819 -6.9459 -6.9459 -2.2655 -2.2655 -1.9054 -1.9054 -1.6781 -1.6781 -1.5820 -1.5820 -0.4018 -0.4018 -0.2016 -0.2016 -0.0289 -0.0289 0.1775 0.1775 0.3354 0.3354 0.4841 0.4841 1.0999 1.0999 2.3556 2.3556 2.7931 2.7931 3.1207 3.1207 3.4822 3.4822 4.3582 4.3582 4.6817 4.6817 7.2845 7.2845 9.2393 9.2393 10.2927 10.2927 10.8347 10.8347 k = 0.5000 0.2989 0.0211 ( 4494 PWs) bands (ev): -6.9831 -6.9831 -6.9457 -6.9457 -2.2655 -2.2655 -1.9055 -1.9055 -1.6780 -1.6780 -1.5818 -1.5818 -0.4009 -0.4009 -0.2018 -0.2018 -0.0291 -0.0291 0.1781 0.1781 0.3358 0.3358 0.4845 0.4845 1.1062 1.1062 2.3542 2.3542 2.7991 2.7991 3.1196 3.1196 3.4732 3.4732 4.3560 4.3560 4.6783 4.6783 7.2789 7.2789 9.2379 9.2379 10.2961 10.2961 10.8441 10.8441 k = 0.5000 0.2989-0.0000 ( 4490 PWs) bands (ev): -6.9835 -6.9835 -6.9456 -6.9456 -2.2655 -2.2655 -1.9055 -1.9055 -1.6780 -1.6780 -1.5818 -1.5818 -0.4007 -0.4007 -0.2018 -0.2018 -0.0291 -0.0291 0.1782 0.1782 0.3359 0.3359 0.4847 0.4847 1.1084 1.1084 2.3536 2.3536 2.8011 2.8011 3.1193 3.1193 3.4702 3.4702 4.3553 4.3553 4.6771 4.6771 7.2771 7.2771 9.2375 9.2375 10.2971 10.2971 10.8471 10.8471 k = 0.0000 0.0000 0.9745 ( 4546 PWs) bands (ev): -7.0620 -7.0620 -6.6535 -6.6535 -2.2803 -2.2803 -1.8716 -1.8716 -1.6229 -1.6229 -1.5181 -1.5181 -0.4598 -0.4598 -0.1919 -0.1919 0.1466 0.1466 0.2895 0.2895 0.3972 0.3972 0.4525 0.4525 1.3492 1.3492 1.8459 1.8459 2.4468 2.4468 2.5697 2.5697 3.0637 3.0637 3.2592 3.2592 4.0213 4.0213 7.6407 7.6407 9.5804 9.5804 10.4034 10.4034 10.7095 10.7095 k = 0.0179 0.0107 0.9745 ( 4534 PWs) bands (ev): -7.0618 -7.0618 -6.6538 -6.6538 -2.2792 -2.2792 -1.8717 -1.8717 -1.6229 -1.6229 -1.5182 -1.5182 -0.4593 -0.4593 -0.1917 -0.1917 0.1439 0.1439 0.2900 0.2900 0.3970 0.3970 0.4522 0.4522 1.3505 1.3505 1.8474 1.8474 2.4255 2.4255 2.5712 2.5712 3.0822 3.0822 3.2651 3.2651 4.0214 4.0214 7.6222 7.6222 9.5820 9.5820 10.4169 10.4169 10.7095 10.7095 k = 0.0357 0.0213 0.9745 ( 4534 PWs) bands (ev): -7.0611 -7.0611 -6.6548 -6.6548 -2.2761 -2.2761 -1.8722 -1.8722 -1.6229 -1.6229 -1.5183 -1.5183 -0.4579 -0.4579 -0.1911 -0.1911 0.1359 0.1359 0.2915 0.2915 0.3964 0.3964 0.4512 0.4512 1.3543 1.3543 1.8517 1.8517 2.3735 2.3735 2.5692 2.5692 3.1305 3.1305 3.2840 3.2840 4.0218 4.0218 7.5686 7.5686 9.5871 9.5871 10.4507 10.4507 10.7144 10.7144 k = 0.0536 0.0320 0.9745 ( 4544 PWs) bands (ev): -7.0601 -7.0601 -6.6563 -6.6563 -2.2710 -2.2710 -1.8729 -1.8729 -1.6228 -1.6228 -1.5185 -1.5185 -0.4555 -0.4555 -0.1900 -0.1900 0.1231 0.1231 0.2936 0.2936 0.3955 0.3955 0.4496 0.4496 1.3607 1.3607 1.8586 1.8586 2.3072 2.3072 2.5587 2.5587 3.1909 3.1909 3.3211 3.3211 4.0236 4.0236 7.4843 7.4843 9.5960 9.5960 10.4840 10.4840 10.7411 10.7411 k = 0.0714 0.0427 0.9745 ( 4540 PWs) bands (ev): -7.0587 -7.0587 -6.6583 -6.6583 -2.2642 -2.2642 -1.8740 -1.8740 -1.6228 -1.6228 -1.5188 -1.5188 -0.4522 -0.4522 -0.1886 -0.1886 0.1062 0.1062 0.2959 0.2959 0.3945 0.3945 0.4476 0.4476 1.3696 1.3696 1.8677 1.8677 2.2365 2.2365 2.5404 2.5404 3.2444 3.2444 3.3832 3.3832 4.0284 4.0284 7.3751 7.3751 9.6093 9.6093 10.4911 10.4911 10.8098 10.8098 k = 0.0893 0.0534 0.9745 ( 4536 PWs) bands (ev): -7.0569 -7.0569 -6.6607 -6.6607 -2.2558 -2.2558 -1.8753 -1.8753 -1.6227 -1.6227 -1.5192 -1.5192 -0.4479 -0.4479 -0.1867 -0.1867 0.0859 0.0859 0.2982 0.2982 0.3933 0.3933 0.4451 0.4451 1.3809 1.3809 1.8778 1.8778 2.1669 2.1669 2.5164 2.5164 3.2864 3.2864 3.4638 3.4638 4.0397 4.0397 7.2474 7.2474 9.6270 9.6270 10.4700 10.4700 10.9171 10.9171 k = 0.1071 0.0640 0.9745 ( 4536 PWs) bands (ev): -7.0550 -7.0550 -6.6635 -6.6635 -2.2464 -2.2464 -1.8769 -1.8769 -1.6226 -1.6226 -1.5196 -1.5196 -0.4428 -0.4428 -0.1842 -0.1842 0.0628 0.0628 0.3002 0.3002 0.3921 0.3921 0.4425 0.4425 1.3945 1.3945 1.8869 1.8869 2.1031 2.1031 2.4883 2.4883 3.3230 3.3230 3.5461 3.5461 4.0626 4.0626 7.1072 7.1072 9.6494 9.6494 10.4321 10.4321 11.0468 11.0468 k = 0.1250 0.0747 0.9745 ( 4536 PWs) bands (ev): -7.0530 -7.0530 -6.6664 -6.6664 -2.2363 -2.2363 -1.8787 -1.8787 -1.6225 -1.6225 -1.5201 -1.5201 -0.4370 -0.4370 -0.1813 -0.1813 0.0378 0.0378 0.3019 0.3019 0.3911 0.3911 0.4397 0.4397 1.4104 1.4104 1.8898 1.8898 2.0515 2.0515 2.4577 2.4577 3.3580 3.3580 3.6153 3.6153 4.1040 4.1040 6.9598 6.9598 9.6761 9.6761 10.3848 10.3848 11.1869 11.1869 k = 0.1429 0.0854 0.9745 ( 4540 PWs) bands (ev): -7.0509 -7.0509 -6.6693 -6.6693 -2.2260 -2.2260 -1.8806 -1.8806 -1.6224 -1.6224 -1.5206 -1.5206 -0.4305 -0.4305 -0.1777 -0.1777 0.0116 0.0116 0.3033 0.3033 0.3903 0.3903 0.4370 0.4370 1.4284 1.4284 1.8768 1.8768 2.0221 2.0221 2.4257 2.4257 3.3924 3.3924 3.6624 3.6624 4.1679 4.1679 6.8105 6.8105 9.7070 9.7070 10.3324 10.3324 11.3291 11.3291 k = 0.1607 0.0961 0.9745 ( 4528 PWs) bands (ev): -7.0489 -7.0489 -6.6722 -6.6722 -2.2160 -2.2160 -1.8826 -1.8826 -1.6223 -1.6223 -1.5211 -1.5211 -0.4237 -0.4237 -0.1732 -0.1732 -0.0149 -0.0149 0.3042 0.3042 0.3897 0.3897 0.4344 0.4344 1.4484 1.4484 1.8446 1.8446 2.0183 2.0183 2.3933 2.3933 3.4260 3.4260 3.6868 3.6868 4.2511 4.2511 6.6644 6.6644 9.7416 9.7416 10.2773 10.2773 11.4672 11.4672 k = 0.1786 0.1067 0.9745 ( 4528 PWs) bands (ev): -7.0470 -7.0470 -6.6747 -6.6747 -2.2068 -2.2068 -1.8845 -1.8845 -1.6222 -1.6222 -1.5216 -1.5216 -0.4170 -0.4170 -0.1677 -0.1677 -0.0408 -0.0408 0.3049 0.3049 0.3893 0.3893 0.4321 0.4321 1.4700 1.4700 1.8034 1.8034 2.0296 2.0296 2.3617 2.3617 3.4585 3.4585 3.6938 3.6938 4.3439 4.3439 6.5271 6.5271 9.7795 9.7795 10.2213 10.2213 11.5955 11.5955 k = 0.1964 0.1174 0.9745 ( 4522 PWs) bands (ev): -7.0455 -7.0455 -6.6768 -6.6768 -2.1989 -2.1989 -1.8861 -1.8861 -1.6221 -1.6221 -1.5220 -1.5220 -0.4108 -0.4108 -0.1608 -0.1608 -0.0653 -0.0653 0.3053 0.3053 0.3891 0.3891 0.4302 0.4302 1.4925 1.4925 1.7622 1.7622 2.0464 2.0464 2.3323 2.3323 3.4887 3.4887 3.6897 3.6897 4.4346 4.4346 6.4056 6.4056 9.8198 9.8198 10.1662 10.1662 11.7086 11.7086 k = 0.2143 0.1281 0.9745 ( 4532 PWs) bands (ev): -7.0443 -7.0443 -6.6785 -6.6785 -2.1930 -2.1930 -1.8875 -1.8875 -1.6220 -1.6220 -1.5223 -1.5223 -0.4057 -0.4057 -0.1522 -0.1522 -0.0875 -0.0875 0.3055 0.3055 0.3890 0.3890 0.4287 0.4287 1.5145 1.5145 1.7257 1.7257 2.0636 2.0636 2.3072 2.3072 3.5150 3.5150 3.6801 3.6801 4.5117 4.5117 6.3082 6.3082 9.8608 9.8608 10.1143 10.1143 11.8004 11.8004 k = 0.2321 0.1388 0.9745 ( 4532 PWs) bands (ev): -7.0436 -7.0436 -6.6795 -6.6795 -2.1892 -2.1892 -1.8883 -1.8883 -1.6219 -1.6219 -1.5225 -1.5225 -0.4024 -0.4024 -0.1418 -0.1418 -0.1066 -0.1066 0.3057 0.3057 0.3889 0.3889 0.4278 0.4278 1.5325 1.5325 1.6988 1.6988 2.0768 2.0768 2.2896 2.2896 3.5343 3.5343 3.6702 3.6702 4.5641 4.5641 6.2442 6.2442 9.8975 9.8975 10.0709 10.0709 11.8623 11.8623 k = 0.2500 0.1494 0.9745 ( 4536 PWs) bands (ev): -7.0434 -7.0434 -6.6798 -6.6798 -2.1879 -2.1879 -1.8886 -1.8886 -1.6219 -1.6219 -1.5226 -1.5226 -0.4012 -0.4012 -0.1339 -0.1339 -0.1174 -0.1174 0.3057 0.3057 0.3889 0.3889 0.4275 0.4275 1.5400 1.5400 1.6883 1.6883 2.0819 2.0819 2.2831 2.2831 3.5417 3.5417 3.6658 3.6658 4.5828 4.5828 6.2217 6.2217 9.9150 9.9150 10.0511 10.0511 11.8846 11.8846 Writing output data file HgI.save init_run : 1.34s CPU 1.03s WALL ( 1 calls) electrons : 603.29s CPU 506.54s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.02s WALL ( 1 calls) potinit : 0.38s CPU 0.47s WALL ( 1 calls) Called by electrons: c_bands : 603.28s CPU 506.53s WALL ( 1 calls) v_of_rho : 0.13s CPU 0.07s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.12s CPU 0.06s WALL ( 1 calls) newd : 0.30s CPU 0.16s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.14s CPU 0.20s WALL ( 300 calls) cegterg : 530.30s CPU 455.02s WALL ( 650 calls) Called by sum_band: Called by *egterg: h_psi : 359.39s CPU 276.85s WALL ( 10713 calls) s_psi : 7.31s CPU 6.02s WALL ( 10713 calls) g_psi : 0.24s CPU 0.18s WALL ( 9763 calls) cdiaghg : 174.95s CPU 164.61s WALL ( 10063 calls) cegterg:over : 16.39s CPU 15.01s WALL ( 9763 calls) cegterg:upda : 7.66s CPU 7.00s WALL ( 9763 calls) cegterg:last : 4.58s CPU 4.68s WALL ( 1848 calls) cdiaghg:chol : 6.60s CPU 6.17s WALL ( 10063 calls) cdiaghg:inve : 2.72s CPU 2.70s WALL ( 10063 calls) cdiaghg:para : 13.32s CPU 12.89s WALL ( 20126 calls) Called by h_psi: h_psi:vloc : 340.25s CPU 260.72s WALL ( 10713 calls) h_psi:vnl : 18.94s CPU 15.96s WALL ( 10713 calls) add_vuspsi : 9.95s CPU 8.13s WALL ( 10713 calls) General routines calbec : 8.94s CPU 7.79s WALL ( 10713 calls) fft : 0.24s CPU 0.14s WALL ( 19 calls) ffts : 0.03s CPU 0.02s WALL ( 4 calls) fftw : 327.10s CPU 249.13s WALL ( 968076 calls) interpolate : 0.06s CPU 0.03s WALL ( 4 calls) davcio : 0.25s CPU 2.62s WALL ( 600 calls) Parallel routines fft_scatter : 207.78s CPU 176.55s WALL ( 968099 calls) PWSCF : 10m41.64s CPU 11m43.80s WALL This run was terminated on: 17:24:25 28Mar2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=