Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:33: 4 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Hg4Pt.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S renormalized file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 92 37 10 3383 836 133 Max 93 38 11 3386 860 137 Sum 3337 1335 391 121847 30501 4897 bravais-lattice index = 14 lattice parameter (alat) = 10.1237 a.u. unit-cell volume = 798.7231 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 2 number of electrons = 58.00 number of Kohn-Sham states= 70 kinetic-energy cutoff = 43.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.123703 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.333333 celldm(5)= -0.333333 celldm(6)= -0.333333 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.333333 0.942809 0.000000 ) a(3) = ( -0.333333 -0.471405 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.353553 0.612372 ) b(2) = ( 0.000000 1.060660 0.612372 ) b(3) = ( 0.000000 0.000000 1.224745 ) 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 Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 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) Pt 10.00 195.08400 Pt( 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= 243 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041152 k( 2) = ( 0.0098039 -0.0069324 0.0120073), wk = 0.0041152 k( 3) = ( 0.0196078 -0.0138648 0.0240146), wk = 0.0041152 k( 4) = ( 0.0294118 -0.0207973 0.0360219), wk = 0.0041152 k( 5) = ( 0.0392157 -0.0277297 0.0480292), wk = 0.0041152 k( 6) = ( 0.0490196 -0.0346621 0.0600365), wk = 0.0041152 k( 7) = ( 0.0588235 -0.0415945 0.0720438), wk = 0.0041152 k( 8) = ( 0.0686275 -0.0485269 0.0840511), wk = 0.0041152 k( 9) = ( 0.0784314 -0.0554594 0.0960584), wk = 0.0041152 k( 10) = ( 0.0882353 -0.0623918 0.1080657), wk = 0.0041152 k( 11) = ( 0.0980392 -0.0693242 0.1200730), wk = 0.0041152 k( 12) = ( 0.1078431 -0.0762566 0.1320803), wk = 0.0041152 k( 13) = ( 0.1176471 -0.0831890 0.1440876), wk = 0.0041152 k( 14) = ( 0.1274510 -0.0901215 0.1560949), wk = 0.0041152 k( 15) = ( 0.1372549 -0.0970539 0.1681022), wk = 0.0041152 k( 16) = ( 0.1470588 -0.1039863 0.1801095), wk = 0.0041152 k( 17) = ( 0.1568627 -0.1109187 0.1921168), wk = 0.0041152 k( 18) = ( 0.1666667 -0.1178511 0.2041241), wk = 0.0041152 k( 19) = ( 0.1764706 -0.1247836 0.2161315), wk = 0.0041152 k( 20) = ( 0.1862745 -0.1317160 0.2281388), wk = 0.0041152 k( 21) = ( 0.1960784 -0.1386484 0.2401461), wk = 0.0041152 k( 22) = ( 0.2058823 -0.1455808 0.2521534), wk = 0.0041152 k( 23) = ( 0.2156863 -0.1525132 0.2641607), wk = 0.0041152 k( 24) = ( 0.2254902 -0.1594456 0.2761680), wk = 0.0041152 k( 25) = ( 0.2352941 -0.1663781 0.2881753), wk = 0.0041152 k( 26) = ( 0.2450980 -0.1733105 0.3001826), wk = 0.0041152 k( 27) = ( 0.2549020 -0.1802429 0.3121899), wk = 0.0041152 k( 28) = ( 0.2647059 -0.1871753 0.3241972), wk = 0.0041152 k( 29) = ( 0.2745098 -0.1941077 0.3362045), wk = 0.0041152 k( 30) = ( 0.2843137 -0.2010402 0.3482118), wk = 0.0041152 k( 31) = ( 0.2941177 -0.2079726 0.3602191), wk = 0.0041152 k( 32) = ( 0.3039216 -0.2149050 0.3722264), wk = 0.0041152 k( 33) = ( 0.3137255 -0.2218374 0.3842337), wk = 0.0041152 k( 34) = ( 0.3235294 -0.2287698 0.3962410), wk = 0.0041152 k( 35) = ( 0.3333333 -0.2357023 0.4082483), wk = 0.0041152 k( 36) = ( 0.3431373 -0.2426347 0.4202556), wk = 0.0041152 k( 37) = ( 0.3529412 -0.2495671 0.4322629), wk = 0.0041152 k( 38) = ( 0.3627451 -0.2564995 0.4442702), wk = 0.0041152 k( 39) = ( 0.3725490 -0.2634319 0.4562775), wk = 0.0041152 k( 40) = ( 0.3823529 -0.2703644 0.4682848), wk = 0.0041152 k( 41) = ( 0.3921569 -0.2772968 0.4802921), wk = 0.0041152 k( 42) = ( 0.4019608 -0.2842292 0.4922994), wk = 0.0041152 k( 43) = ( 0.4117647 -0.2911616 0.5043067), wk = 0.0041152 k( 44) = ( 0.4215686 -0.2980940 0.5163140), wk = 0.0041152 k( 45) = ( 0.4313726 -0.3050265 0.5283213), wk = 0.0041152 k( 46) = ( 0.4411765 -0.3119589 0.5403286), wk = 0.0041152 k( 47) = ( 0.4509804 -0.3188913 0.5523359), wk = 0.0041152 k( 48) = ( 0.4607843 -0.3258237 0.5643432), wk = 0.0041152 k( 49) = ( 0.4705882 -0.3327561 0.5763505), wk = 0.0041152 k( 50) = ( 0.4803922 -0.3396886 0.5883578), wk = 0.0041152 k( 51) = ( 0.4901961 -0.3466210 0.6003651), wk = 0.0041152 k( 52) = ( 0.5000000 -0.3535534 0.6123724), wk = 0.0041152 k( 53) = ( 0.5000000 -0.3535534 0.6123724), wk = 0.0041152 k( 54) = ( 0.4861111 -0.3437325 0.6123724), wk = 0.0041152 k( 55) = ( 0.4722222 -0.3339115 0.6123724), wk = 0.0041152 k( 56) = ( 0.4583333 -0.3240906 0.6123724), wk = 0.0041152 k( 57) = ( 0.4444444 -0.3142697 0.6123724), wk = 0.0041152 k( 58) = ( 0.4305556 -0.3044488 0.6123724), wk = 0.0041152 k( 59) = ( 0.4166667 -0.2946278 0.6123724), wk = 0.0041152 k( 60) = ( 0.4027778 -0.2848069 0.6123724), wk = 0.0041152 k( 61) = ( 0.3888889 -0.2749860 0.6123724), wk = 0.0041152 k( 62) = ( 0.3750000 -0.2651650 0.6123724), wk = 0.0041152 k( 63) = ( 0.3611111 -0.2553441 0.6123724), wk = 0.0041152 k( 64) = ( 0.3472222 -0.2455232 0.6123724), wk = 0.0041152 k( 65) = ( 0.3333333 -0.2357023 0.6123724), wk = 0.0041152 k( 66) = ( 0.3194444 -0.2258813 0.6123724), wk = 0.0041152 k( 67) = ( 0.3055556 -0.2160604 0.6123724), wk = 0.0041152 k( 68) = ( 0.2916667 -0.2062395 0.6123724), wk = 0.0041152 k( 69) = ( 0.2777778 -0.1964186 0.6123724), wk = 0.0041152 k( 70) = ( 0.2638889 -0.1865976 0.6123724), wk = 0.0041152 k( 71) = ( 0.2500000 -0.1767767 0.6123724), wk = 0.0041152 k( 72) = ( 0.2361111 -0.1669558 0.6123724), wk = 0.0041152 k( 73) = ( 0.2222222 -0.1571348 0.6123724), wk = 0.0041152 k( 74) = ( 0.2083333 -0.1473139 0.6123724), wk = 0.0041152 k( 75) = ( 0.1944444 -0.1374930 0.6123724), wk = 0.0041152 k( 76) = ( 0.1805556 -0.1276721 0.6123724), wk = 0.0041152 k( 77) = ( 0.1666667 -0.1178511 0.6123724), wk = 0.0041152 k( 78) = ( 0.1527778 -0.1080302 0.6123724), wk = 0.0041152 k( 79) = ( 0.1388889 -0.0982093 0.6123724), wk = 0.0041152 k( 80) = ( 0.1250000 -0.0883883 0.6123724), wk = 0.0041152 k( 81) = ( 0.1111111 -0.0785674 0.6123724), wk = 0.0041152 k( 82) = ( 0.0972222 -0.0687465 0.6123724), wk = 0.0041152 k( 83) = ( 0.0833333 -0.0589256 0.6123724), wk = 0.0041152 k( 84) = ( 0.0694444 -0.0491046 0.6123724), wk = 0.0041152 k( 85) = ( 0.0555556 -0.0392837 0.6123724), wk = 0.0041152 k( 86) = ( 0.0416667 -0.0294628 0.6123724), wk = 0.0041152 k( 87) = ( 0.0277778 -0.0196419 0.6123724), wk = 0.0041152 k( 88) = ( 0.0138889 -0.0098209 0.6123724), wk = 0.0041152 k( 89) = ( 0.0000000 0.0000000 0.6123724), wk = 0.0041152 k( 90) = ( 0.0000000 0.0000000 0.6123724), wk = 0.0041152 k( 91) = ( 0.0000000 0.0000000 0.5953621), wk = 0.0041152 k( 92) = ( 0.0000000 0.0000000 0.5783517), wk = 0.0041152 k( 93) = ( 0.0000000 0.0000000 0.5613414), wk = 0.0041152 k( 94) = ( 0.0000000 0.0000000 0.5443310), wk = 0.0041152 k( 95) = ( 0.0000000 0.0000000 0.5273207), wk = 0.0041152 k( 96) = ( 0.0000000 0.0000000 0.5103104), wk = 0.0041152 k( 97) = ( 0.0000000 0.0000000 0.4933000), wk = 0.0041152 k( 98) = ( 0.0000000 0.0000000 0.4762897), wk = 0.0041152 k( 99) = ( 0.0000000 0.0000000 0.4592793), wk = 0.0041152 k( 100) = ( 0.0000000 0.0000000 0.4422690), wk = 0.0041152 k( 101) = ( 0.0000000 0.0000000 0.4252586), wk = 0.0041152 k( 102) = ( 0.0000000 0.0000000 0.4082483), wk = 0.0041152 k( 103) = ( 0.0000000 0.0000000 0.3912379), wk = 0.0041152 k( 104) = ( 0.0000000 0.0000000 0.3742276), wk = 0.0041152 k( 105) = ( 0.0000000 0.0000000 0.3572173), wk = 0.0041152 k( 106) = ( 0.0000000 0.0000000 0.3402069), wk = 0.0041152 k( 107) = ( 0.0000000 0.0000000 0.3231966), wk = 0.0041152 k( 108) = ( 0.0000000 0.0000000 0.3061862), wk = 0.0041152 k( 109) = ( 0.0000000 0.0000000 0.2891759), wk = 0.0041152 k( 110) = ( 0.0000000 0.0000000 0.2721655), wk = 0.0041152 k( 111) = ( 0.0000000 0.0000000 0.2551552), wk = 0.0041152 k( 112) = ( 0.0000000 0.0000000 0.2381448), wk = 0.0041152 k( 113) = ( 0.0000000 0.0000000 0.2211345), wk = 0.0041152 k( 114) = ( 0.0000000 0.0000000 0.2041241), wk = 0.0041152 k( 115) = ( 0.0000000 0.0000000 0.1871138), wk = 0.0041152 k( 116) = ( 0.0000000 0.0000000 0.1701035), wk = 0.0041152 k( 117) = ( 0.0000000 0.0000000 0.1530931), wk = 0.0041152 k( 118) = ( 0.0000000 0.0000000 0.1360828), wk = 0.0041152 k( 119) = ( 0.0000000 0.0000000 0.1190724), wk = 0.0041152 k( 120) = ( 0.0000000 0.0000000 0.1020621), wk = 0.0041152 k( 121) = ( 0.0000000 0.0000000 0.0850517), wk = 0.0041152 k( 122) = ( 0.0000000 0.0000000 0.0680414), wk = 0.0041152 k( 123) = ( 0.0000000 0.0000000 0.0510310), wk = 0.0041152 k( 124) = ( 0.0000000 0.0000000 0.0340207), wk = 0.0041152 k( 125) = ( 0.0000000 0.0000000 0.0170103), wk = 0.0041152 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041152 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041152 k( 128) = ( 0.0056818 0.0080353 0.0139176), wk = 0.0041152 k( 129) = ( 0.0113636 0.0160706 0.0278351), wk = 0.0041152 k( 130) = ( 0.0170455 0.0241059 0.0417527), wk = 0.0041152 k( 131) = ( 0.0227273 0.0321412 0.0556702), wk = 0.0041152 k( 132) = ( 0.0284091 0.0401765 0.0695878), wk = 0.0041152 k( 133) = ( 0.0340909 0.0482118 0.0835053), wk = 0.0041152 k( 134) = ( 0.0397727 0.0562471 0.0974229), wk = 0.0041152 k( 135) = ( 0.0454546 0.0642824 0.1113405), wk = 0.0041152 k( 136) = ( 0.0511364 0.0723177 0.1252580), wk = 0.0041152 k( 137) = ( 0.0568182 0.0803530 0.1391755), wk = 0.0041152 k( 138) = ( 0.0625000 0.0883883 0.1530931), wk = 0.0041152 k( 139) = ( 0.0681818 0.0964237 0.1670107), wk = 0.0041152 k( 140) = ( 0.0738636 0.1044590 0.1809282), wk = 0.0041152 k( 141) = ( 0.0795455 0.1124943 0.1948458), wk = 0.0041152 k( 142) = ( 0.0852273 0.1205296 0.2087633), wk = 0.0041152 k( 143) = ( 0.0909091 0.1285649 0.2226809), wk = 0.0041152 k( 144) = ( 0.0965909 0.1366002 0.2365984), wk = 0.0041152 k( 145) = ( 0.1022727 0.1446355 0.2505160), wk = 0.0041152 k( 146) = ( 0.1079545 0.1526708 0.2644336), wk = 0.0041152 k( 147) = ( 0.1136364 0.1607061 0.2783511), wk = 0.0041152 k( 148) = ( 0.1193182 0.1687414 0.2922687), wk = 0.0041152 k( 149) = ( 0.1250000 0.1767767 0.3061862), wk = 0.0041152 k( 150) = ( 0.1306818 0.1848120 0.3201038), wk = 0.0041152 k( 151) = ( 0.1363636 0.1928473 0.3340213), wk = 0.0041152 k( 152) = ( 0.1420454 0.2008826 0.3479389), wk = 0.0041152 k( 153) = ( 0.1477273 0.2089179 0.3618564), wk = 0.0041152 k( 154) = ( 0.1534091 0.2169532 0.3757740), wk = 0.0041152 k( 155) = ( 0.1590909 0.2249885 0.3896916), wk = 0.0041152 k( 156) = ( 0.1647727 0.2330238 0.4036091), wk = 0.0041152 k( 157) = ( 0.1704546 0.2410591 0.4175267), wk = 0.0041152 k( 158) = ( 0.1761364 0.2490944 0.4314442), wk = 0.0041152 k( 159) = ( 0.1818182 0.2571297 0.4453618), wk = 0.0041152 k( 160) = ( 0.1875000 0.2651650 0.4592793), wk = 0.0041152 k( 161) = ( 0.1931818 0.2732003 0.4731969), wk = 0.0041152 k( 162) = ( 0.1988636 0.2812357 0.4871144), wk = 0.0041152 k( 163) = ( 0.2045454 0.2892709 0.5010320), wk = 0.0041152 k( 164) = ( 0.2102273 0.2973063 0.5149495), wk = 0.0041152 k( 165) = ( 0.2159091 0.3053416 0.5288671), wk = 0.0041152 k( 166) = ( 0.2215909 0.3133769 0.5427847), wk = 0.0041152 k( 167) = ( 0.2272727 0.3214122 0.5567022), wk = 0.0041152 k( 168) = ( 0.2329546 0.3294475 0.5706198), wk = 0.0041152 k( 169) = ( 0.2386364 0.3374828 0.5845373), wk = 0.0041152 k( 170) = ( 0.2443182 0.3455181 0.5984549), wk = 0.0041152 k( 171) = ( 0.2500000 0.3535534 0.6123724), wk = 0.0041152 k( 172) = ( 0.2500000 0.3535534 0.6123724), wk = 0.0041152 k( 173) = ( 0.2556818 0.3374828 0.6123724), wk = 0.0041152 k( 174) = ( 0.2613636 0.3214122 0.6123724), wk = 0.0041152 k( 175) = ( 0.2670455 0.3053416 0.6123724), wk = 0.0041152 k( 176) = ( 0.2727273 0.2892710 0.6123724), wk = 0.0041152 k( 177) = ( 0.2784091 0.2732003 0.6123724), wk = 0.0041152 k( 178) = ( 0.2840909 0.2571297 0.6123724), wk = 0.0041152 k( 179) = ( 0.2897727 0.2410591 0.6123724), wk = 0.0041152 k( 180) = ( 0.2954545 0.2249885 0.6123724), wk = 0.0041152 k( 181) = ( 0.3011364 0.2089179 0.6123724), wk = 0.0041152 k( 182) = ( 0.3068182 0.1928473 0.6123724), wk = 0.0041152 k( 183) = ( 0.3125000 0.1767767 0.6123724), wk = 0.0041152 k( 184) = ( 0.3181818 0.1607061 0.6123724), wk = 0.0041152 k( 185) = ( 0.3238636 0.1446355 0.6123724), wk = 0.0041152 k( 186) = ( 0.3295455 0.1285649 0.6123724), wk = 0.0041152 k( 187) = ( 0.3352273 0.1124943 0.6123724), wk = 0.0041152 k( 188) = ( 0.3409091 0.0964237 0.6123724), wk = 0.0041152 k( 189) = ( 0.3465909 0.0803530 0.6123724), wk = 0.0041152 k( 190) = ( 0.3522727 0.0642824 0.6123724), wk = 0.0041152 k( 191) = ( 0.3579545 0.0482118 0.6123724), wk = 0.0041152 k( 192) = ( 0.3636364 0.0321412 0.6123724), wk = 0.0041152 k( 193) = ( 0.3693182 0.0160706 0.6123724), wk = 0.0041152 k( 194) = ( 0.3750000 -0.0000000 0.6123724), wk = 0.0041152 k( 195) = ( 0.3806818 -0.0160706 0.6123724), wk = 0.0041152 k( 196) = ( 0.3863636 -0.0321412 0.6123724), wk = 0.0041152 k( 197) = ( 0.3920455 -0.0482118 0.6123724), wk = 0.0041152 k( 198) = ( 0.3977273 -0.0642824 0.6123724), wk = 0.0041152 k( 199) = ( 0.4034091 -0.0803530 0.6123724), wk = 0.0041152 k( 200) = ( 0.4090909 -0.0964237 0.6123724), wk = 0.0041152 k( 201) = ( 0.4147727 -0.1124943 0.6123724), wk = 0.0041152 k( 202) = ( 0.4204545 -0.1285649 0.6123724), wk = 0.0041152 k( 203) = ( 0.4261364 -0.1446355 0.6123724), wk = 0.0041152 k( 204) = ( 0.4318182 -0.1607061 0.6123724), wk = 0.0041152 k( 205) = ( 0.4375000 -0.1767767 0.6123724), wk = 0.0041152 k( 206) = ( 0.4431818 -0.1928473 0.6123724), wk = 0.0041152 k( 207) = ( 0.4488636 -0.2089179 0.6123724), wk = 0.0041152 k( 208) = ( 0.4545455 -0.2249885 0.6123724), wk = 0.0041152 k( 209) = ( 0.4602273 -0.2410591 0.6123724), wk = 0.0041152 k( 210) = ( 0.4659091 -0.2571297 0.6123724), wk = 0.0041152 k( 211) = ( 0.4715909 -0.2732003 0.6123724), wk = 0.0041152 k( 212) = ( 0.4772727 -0.2892710 0.6123724), wk = 0.0041152 k( 213) = ( 0.4829545 -0.3053416 0.6123724), wk = 0.0041152 k( 214) = ( 0.4886364 -0.3214122 0.6123724), wk = 0.0041152 k( 215) = ( 0.4943182 -0.3374828 0.6123724), wk = 0.0041152 k( 216) = ( 0.5000000 -0.3535534 0.6123724), wk = 0.0041152 k( 217) = ( 0.2500000 0.3535534 0.6123724), wk = 0.0041152 k( 218) = ( 0.2403846 0.3399552 0.6123724), wk = 0.0041152 k( 219) = ( 0.2307692 0.3263570 0.6123724), wk = 0.0041152 k( 220) = ( 0.2211539 0.3127588 0.6123724), wk = 0.0041152 k( 221) = ( 0.2115385 0.2991606 0.6123724), wk = 0.0041152 k( 222) = ( 0.2019231 0.2855624 0.6123724), wk = 0.0041152 k( 223) = ( 0.1923077 0.2719641 0.6123724), wk = 0.0041152 k( 224) = ( 0.1826923 0.2583659 0.6123724), wk = 0.0041152 k( 225) = ( 0.1730769 0.2447677 0.6123724), wk = 0.0041152 k( 226) = ( 0.1634615 0.2311695 0.6123724), wk = 0.0041152 k( 227) = ( 0.1538461 0.2175713 0.6123724), wk = 0.0041152 k( 228) = ( 0.1442308 0.2039731 0.6123724), wk = 0.0041152 k( 229) = ( 0.1346154 0.1903749 0.6123724), wk = 0.0041152 k( 230) = ( 0.1250000 0.1767767 0.6123724), wk = 0.0041152 k( 231) = ( 0.1153846 0.1631785 0.6123724), wk = 0.0041152 k( 232) = ( 0.1057692 0.1495803 0.6123724), wk = 0.0041152 k( 233) = ( 0.0961538 0.1359821 0.6123724), wk = 0.0041152 k( 234) = ( 0.0865385 0.1223839 0.6123724), wk = 0.0041152 k( 235) = ( 0.0769231 0.1087857 0.6123724), wk = 0.0041152 k( 236) = ( 0.0673077 0.0951874 0.6123724), wk = 0.0041152 k( 237) = ( 0.0576923 0.0815892 0.6123724), wk = 0.0041152 k( 238) = ( 0.0480769 0.0679910 0.6123724), wk = 0.0041152 k( 239) = ( 0.0384615 0.0543928 0.6123724), wk = 0.0041152 k( 240) = ( 0.0288462 0.0407946 0.6123724), wk = 0.0041152 k( 241) = ( 0.0192308 0.0271964 0.6123724), wk = 0.0041152 k( 242) = ( 0.0096154 0.0135982 0.6123724), wk = 0.0041152 k( 243) = ( 0.0000000 0.0000000 0.6123724), wk = 0.0041152 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041152 k( 2) = ( 0.0098039 -0.0098039 0.0098039), wk = 0.0041152 k( 3) = ( 0.0196078 -0.0196078 0.0196078), wk = 0.0041152 k( 4) = ( 0.0294118 -0.0294118 0.0294118), wk = 0.0041152 k( 5) = ( 0.0392157 -0.0392157 0.0392157), wk = 0.0041152 k( 6) = ( 0.0490196 -0.0490196 0.0490196), wk = 0.0041152 k( 7) = ( 0.0588235 -0.0588235 0.0588235), wk = 0.0041152 k( 8) = ( 0.0686275 -0.0686275 0.0686275), wk = 0.0041152 k( 9) = ( 0.0784314 -0.0784314 0.0784314), wk = 0.0041152 k( 10) = ( 0.0882353 -0.0882353 0.0882353), wk = 0.0041152 k( 11) = ( 0.0980392 -0.0980392 0.0980392), wk = 0.0041152 k( 12) = ( 0.1078431 -0.1078431 0.1078431), wk = 0.0041152 k( 13) = ( 0.1176471 -0.1176471 0.1176471), wk = 0.0041152 k( 14) = ( 0.1274510 -0.1274510 0.1274510), wk = 0.0041152 k( 15) = ( 0.1372549 -0.1372549 0.1372549), wk = 0.0041152 k( 16) = ( 0.1470588 -0.1470588 0.1470588), wk = 0.0041152 k( 17) = ( 0.1568627 -0.1568627 0.1568627), wk = 0.0041152 k( 18) = ( 0.1666667 -0.1666667 0.1666667), wk = 0.0041152 k( 19) = ( 0.1764706 -0.1764706 0.1764706), wk = 0.0041152 k( 20) = ( 0.1862745 -0.1862745 0.1862745), wk = 0.0041152 k( 21) = ( 0.1960784 -0.1960784 0.1960784), wk = 0.0041152 k( 22) = ( 0.2058823 -0.2058823 0.2058823), wk = 0.0041152 k( 23) = ( 0.2156863 -0.2156863 0.2156863), wk = 0.0041152 k( 24) = ( 0.2254902 -0.2254902 0.2254902), wk = 0.0041152 k( 25) = ( 0.2352941 -0.2352941 0.2352941), wk = 0.0041152 k( 26) = ( 0.2450980 -0.2450980 0.2450980), wk = 0.0041152 k( 27) = ( 0.2549020 -0.2549020 0.2549020), wk = 0.0041152 k( 28) = ( 0.2647059 -0.2647059 0.2647059), wk = 0.0041152 k( 29) = ( 0.2745098 -0.2745098 0.2745098), wk = 0.0041152 k( 30) = ( 0.2843137 -0.2843137 0.2843137), wk = 0.0041152 k( 31) = ( 0.2941177 -0.2941177 0.2941176), wk = 0.0041152 k( 32) = ( 0.3039216 -0.3039216 0.3039216), wk = 0.0041152 k( 33) = ( 0.3137255 -0.3137255 0.3137255), wk = 0.0041152 k( 34) = ( 0.3235294 -0.3235294 0.3235294), wk = 0.0041152 k( 35) = ( 0.3333333 -0.3333333 0.3333333), wk = 0.0041152 k( 36) = ( 0.3431373 -0.3431373 0.3431373), wk = 0.0041152 k( 37) = ( 0.3529412 -0.3529412 0.3529412), wk = 0.0041152 k( 38) = ( 0.3627451 -0.3627451 0.3627451), wk = 0.0041152 k( 39) = ( 0.3725490 -0.3725490 0.3725490), wk = 0.0041152 k( 40) = ( 0.3823529 -0.3823529 0.3823529), wk = 0.0041152 k( 41) = ( 0.3921569 -0.3921569 0.3921569), wk = 0.0041152 k( 42) = ( 0.4019608 -0.4019608 0.4019608), wk = 0.0041152 k( 43) = ( 0.4117647 -0.4117647 0.4117647), wk = 0.0041152 k( 44) = ( 0.4215686 -0.4215686 0.4215686), wk = 0.0041152 k( 45) = ( 0.4313726 -0.4313726 0.4313726), wk = 0.0041152 k( 46) = ( 0.4411765 -0.4411765 0.4411765), wk = 0.0041152 k( 47) = ( 0.4509804 -0.4509804 0.4509804), wk = 0.0041152 k( 48) = ( 0.4607843 -0.4607843 0.4607843), wk = 0.0041152 k( 49) = ( 0.4705882 -0.4705882 0.4705882), wk = 0.0041152 k( 50) = ( 0.4803922 -0.4803922 0.4803922), wk = 0.0041152 k( 51) = ( 0.4901961 -0.4901961 0.4901961), wk = 0.0041152 k( 52) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0041152 k( 53) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0041152 k( 54) = ( 0.4861111 -0.4861111 0.5000000), wk = 0.0041152 k( 55) = ( 0.4722222 -0.4722222 0.5000000), wk = 0.0041152 k( 56) = ( 0.4583333 -0.4583333 0.5000000), wk = 0.0041152 k( 57) = ( 0.4444444 -0.4444444 0.5000000), wk = 0.0041152 k( 58) = ( 0.4305556 -0.4305556 0.5000000), wk = 0.0041152 k( 59) = ( 0.4166667 -0.4166667 0.5000000), wk = 0.0041152 k( 60) = ( 0.4027778 -0.4027778 0.5000000), wk = 0.0041152 k( 61) = ( 0.3888889 -0.3888889 0.5000000), wk = 0.0041152 k( 62) = ( 0.3750000 -0.3750000 0.5000000), wk = 0.0041152 k( 63) = ( 0.3611111 -0.3611111 0.5000000), wk = 0.0041152 k( 64) = ( 0.3472222 -0.3472222 0.5000000), wk = 0.0041152 k( 65) = ( 0.3333333 -0.3333333 0.5000000), wk = 0.0041152 k( 66) = ( 0.3194444 -0.3194444 0.5000000), wk = 0.0041152 k( 67) = ( 0.3055556 -0.3055556 0.5000000), wk = 0.0041152 k( 68) = ( 0.2916667 -0.2916667 0.5000000), wk = 0.0041152 k( 69) = ( 0.2777778 -0.2777778 0.5000000), wk = 0.0041152 k( 70) = ( 0.2638889 -0.2638889 0.5000000), wk = 0.0041152 k( 71) = ( 0.2500000 -0.2500000 0.5000000), wk = 0.0041152 k( 72) = ( 0.2361111 -0.2361111 0.5000000), wk = 0.0041152 k( 73) = ( 0.2222222 -0.2222222 0.5000000), wk = 0.0041152 k( 74) = ( 0.2083333 -0.2083333 0.5000000), wk = 0.0041152 k( 75) = ( 0.1944444 -0.1944444 0.5000000), wk = 0.0041152 k( 76) = ( 0.1805556 -0.1805556 0.5000000), wk = 0.0041152 k( 77) = ( 0.1666667 -0.1666667 0.5000000), wk = 0.0041152 k( 78) = ( 0.1527778 -0.1527778 0.5000000), wk = 0.0041152 k( 79) = ( 0.1388889 -0.1388889 0.5000000), wk = 0.0041152 k( 80) = ( 0.1250000 -0.1250000 0.5000000), wk = 0.0041152 k( 81) = ( 0.1111111 -0.1111111 0.5000000), wk = 0.0041152 k( 82) = ( 0.0972222 -0.0972222 0.5000000), wk = 0.0041152 k( 83) = ( 0.0833333 -0.0833333 0.5000000), wk = 0.0041152 k( 84) = ( 0.0694444 -0.0694444 0.5000000), wk = 0.0041152 k( 85) = ( 0.0555556 -0.0555556 0.5000000), wk = 0.0041152 k( 86) = ( 0.0416667 -0.0416667 0.5000000), wk = 0.0041152 k( 87) = ( 0.0277778 -0.0277778 0.5000000), wk = 0.0041152 k( 88) = ( 0.0138889 -0.0138889 0.5000000), wk = 0.0041152 k( 89) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0041152 k( 90) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0041152 k( 91) = ( 0.0000000 0.0000000 0.4861111), wk = 0.0041152 k( 92) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0041152 k( 93) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0041152 k( 94) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0041152 k( 95) = ( 0.0000000 0.0000000 0.4305556), wk = 0.0041152 k( 96) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0041152 k( 97) = ( 0.0000000 0.0000000 0.4027778), wk = 0.0041152 k( 98) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0041152 k( 99) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0041152 k( 100) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0041152 k( 101) = ( 0.0000000 0.0000000 0.3472222), wk = 0.0041152 k( 102) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0041152 k( 103) = ( 0.0000000 0.0000000 0.3194444), wk = 0.0041152 k( 104) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0041152 k( 105) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0041152 k( 106) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0041152 k( 107) = ( 0.0000000 0.0000000 0.2638889), wk = 0.0041152 k( 108) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0041152 k( 109) = ( 0.0000000 0.0000000 0.2361111), wk = 0.0041152 k( 110) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0041152 k( 111) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0041152 k( 112) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0041152 k( 113) = ( 0.0000000 0.0000000 0.1805556), wk = 0.0041152 k( 114) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0041152 k( 115) = ( 0.0000000 0.0000000 0.1527778), wk = 0.0041152 k( 116) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0041152 k( 117) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0041152 k( 118) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0041152 k( 119) = ( 0.0000000 0.0000000 0.0972222), wk = 0.0041152 k( 120) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0041152 k( 121) = ( 0.0000000 0.0000000 0.0694444), wk = 0.0041152 k( 122) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0041152 k( 123) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0041152 k( 124) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0041152 k( 125) = ( 0.0000000 0.0000000 0.0138889), wk = 0.0041152 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041152 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041152 k( 128) = ( 0.0056818 0.0056818 0.0056818), wk = 0.0041152 k( 129) = ( 0.0113636 0.0113636 0.0113636), wk = 0.0041152 k( 130) = ( 0.0170455 0.0170455 0.0170455), wk = 0.0041152 k( 131) = ( 0.0227273 0.0227273 0.0227273), wk = 0.0041152 k( 132) = ( 0.0284091 0.0284091 0.0284091), wk = 0.0041152 k( 133) = ( 0.0340909 0.0340909 0.0340909), wk = 0.0041152 k( 134) = ( 0.0397727 0.0397727 0.0397727), wk = 0.0041152 k( 135) = ( 0.0454546 0.0454546 0.0454546), wk = 0.0041152 k( 136) = ( 0.0511364 0.0511364 0.0511364), wk = 0.0041152 k( 137) = ( 0.0568182 0.0568182 0.0568182), wk = 0.0041152 k( 138) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0041152 k( 139) = ( 0.0681818 0.0681818 0.0681818), wk = 0.0041152 k( 140) = ( 0.0738636 0.0738636 0.0738636), wk = 0.0041152 k( 141) = ( 0.0795455 0.0795455 0.0795454), wk = 0.0041152 k( 142) = ( 0.0852273 0.0852273 0.0852273), wk = 0.0041152 k( 143) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0041152 k( 144) = ( 0.0965909 0.0965909 0.0965909), wk = 0.0041152 k( 145) = ( 0.1022727 0.1022727 0.1022727), wk = 0.0041152 k( 146) = ( 0.1079545 0.1079546 0.1079545), wk = 0.0041152 k( 147) = ( 0.1136364 0.1136364 0.1136364), wk = 0.0041152 k( 148) = ( 0.1193182 0.1193182 0.1193182), wk = 0.0041152 k( 149) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0041152 k( 150) = ( 0.1306818 0.1306818 0.1306818), wk = 0.0041152 k( 151) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0041152 k( 152) = ( 0.1420454 0.1420454 0.1420455), wk = 0.0041152 k( 153) = ( 0.1477273 0.1477273 0.1477273), wk = 0.0041152 k( 154) = ( 0.1534091 0.1534091 0.1534091), wk = 0.0041152 k( 155) = ( 0.1590909 0.1590909 0.1590909), wk = 0.0041152 k( 156) = ( 0.1647727 0.1647727 0.1647727), wk = 0.0041152 k( 157) = ( 0.1704546 0.1704545 0.1704546), wk = 0.0041152 k( 158) = ( 0.1761364 0.1761364 0.1761364), wk = 0.0041152 k( 159) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0041152 k( 160) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0041152 k( 161) = ( 0.1931818 0.1931818 0.1931818), wk = 0.0041152 k( 162) = ( 0.1988636 0.1988636 0.1988636), wk = 0.0041152 k( 163) = ( 0.2045454 0.2045455 0.2045454), wk = 0.0041152 k( 164) = ( 0.2102273 0.2102273 0.2102273), wk = 0.0041152 k( 165) = ( 0.2159091 0.2159091 0.2159091), wk = 0.0041152 k( 166) = ( 0.2215909 0.2215909 0.2215909), wk = 0.0041152 k( 167) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0041152 k( 168) = ( 0.2329546 0.2329546 0.2329545), wk = 0.0041152 k( 169) = ( 0.2386364 0.2386364 0.2386364), wk = 0.0041152 k( 170) = ( 0.2443182 0.2443182 0.2443182), wk = 0.0041152 k( 171) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0041152 k( 172) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0041152 k( 173) = ( 0.2556818 0.2329546 0.2556818), wk = 0.0041152 k( 174) = ( 0.2613636 0.2159091 0.2613636), wk = 0.0041152 k( 175) = ( 0.2670455 0.1988636 0.2670455), wk = 0.0041152 k( 176) = ( 0.2727273 0.1818182 0.2727273), wk = 0.0041152 k( 177) = ( 0.2784091 0.1647727 0.2784091), wk = 0.0041152 k( 178) = ( 0.2840909 0.1477273 0.2840909), wk = 0.0041152 k( 179) = ( 0.2897727 0.1306818 0.2897727), wk = 0.0041152 k( 180) = ( 0.2954545 0.1136364 0.2954545), wk = 0.0041152 k( 181) = ( 0.3011364 0.0965909 0.3011364), wk = 0.0041152 k( 182) = ( 0.3068182 0.0795455 0.3068182), wk = 0.0041152 k( 183) = ( 0.3125000 0.0625000 0.3125000), wk = 0.0041152 k( 184) = ( 0.3181818 0.0454546 0.3181818), wk = 0.0041152 k( 185) = ( 0.3238636 0.0284091 0.3238636), wk = 0.0041152 k( 186) = ( 0.3295455 0.0113636 0.3295455), wk = 0.0041152 k( 187) = ( 0.3352273 -0.0056818 0.3352273), wk = 0.0041152 k( 188) = ( 0.3409091 -0.0227273 0.3409091), wk = 0.0041152 k( 189) = ( 0.3465909 -0.0397727 0.3465909), wk = 0.0041152 k( 190) = ( 0.3522727 -0.0568182 0.3522727), wk = 0.0041152 k( 191) = ( 0.3579545 -0.0738636 0.3579546), wk = 0.0041152 k( 192) = ( 0.3636364 -0.0909091 0.3636364), wk = 0.0041152 k( 193) = ( 0.3693182 -0.1079545 0.3693182), wk = 0.0041152 k( 194) = ( 0.3750000 -0.1250000 0.3750000), wk = 0.0041152 k( 195) = ( 0.3806818 -0.1420454 0.3806818), wk = 0.0041152 k( 196) = ( 0.3863636 -0.1590909 0.3863636), wk = 0.0041152 k( 197) = ( 0.3920455 -0.1761364 0.3920455), wk = 0.0041152 k( 198) = ( 0.3977273 -0.1931818 0.3977273), wk = 0.0041152 k( 199) = ( 0.4034091 -0.2102273 0.4034091), wk = 0.0041152 k( 200) = ( 0.4090909 -0.2272727 0.4090909), wk = 0.0041152 k( 201) = ( 0.4147727 -0.2443182 0.4147727), wk = 0.0041152 k( 202) = ( 0.4204545 -0.2613636 0.4204545), wk = 0.0041152 k( 203) = ( 0.4261364 -0.2784091 0.4261364), wk = 0.0041152 k( 204) = ( 0.4318182 -0.2954545 0.4318182), wk = 0.0041152 k( 205) = ( 0.4375000 -0.3125000 0.4375000), wk = 0.0041152 k( 206) = ( 0.4431818 -0.3295455 0.4431818), wk = 0.0041152 k( 207) = ( 0.4488636 -0.3465909 0.4488636), wk = 0.0041152 k( 208) = ( 0.4545455 -0.3636364 0.4545454), wk = 0.0041152 k( 209) = ( 0.4602273 -0.3806818 0.4602273), wk = 0.0041152 k( 210) = ( 0.4659091 -0.3977273 0.4659091), wk = 0.0041152 k( 211) = ( 0.4715909 -0.4147727 0.4715909), wk = 0.0041152 k( 212) = ( 0.4772727 -0.4318182 0.4772727), wk = 0.0041152 k( 213) = ( 0.4829545 -0.4488636 0.4829545), wk = 0.0041152 k( 214) = ( 0.4886364 -0.4659091 0.4886364), wk = 0.0041152 k( 215) = ( 0.4943182 -0.4829545 0.4943182), wk = 0.0041152 k( 216) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0041152 k( 217) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0041152 k( 218) = ( 0.2403846 0.2403846 0.2596154), wk = 0.0041152 k( 219) = ( 0.2307692 0.2307692 0.2692308), wk = 0.0041152 k( 220) = ( 0.2211539 0.2211539 0.2788462), wk = 0.0041152 k( 221) = ( 0.2115385 0.2115385 0.2884615), wk = 0.0041152 k( 222) = ( 0.2019231 0.2019231 0.2980769), wk = 0.0041152 k( 223) = ( 0.1923077 0.1923077 0.3076923), wk = 0.0041152 k( 224) = ( 0.1826923 0.1826923 0.3173077), wk = 0.0041152 k( 225) = ( 0.1730769 0.1730769 0.3269231), wk = 0.0041152 k( 226) = ( 0.1634615 0.1634615 0.3365385), wk = 0.0041152 k( 227) = ( 0.1538461 0.1538461 0.3461538), wk = 0.0041152 k( 228) = ( 0.1442308 0.1442308 0.3557692), wk = 0.0041152 k( 229) = ( 0.1346154 0.1346154 0.3653846), wk = 0.0041152 k( 230) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0041152 k( 231) = ( 0.1153846 0.1153846 0.3846154), wk = 0.0041152 k( 232) = ( 0.1057692 0.1057692 0.3942308), wk = 0.0041152 k( 233) = ( 0.0961538 0.0961539 0.4038462), wk = 0.0041152 k( 234) = ( 0.0865385 0.0865385 0.4134615), wk = 0.0041152 k( 235) = ( 0.0769231 0.0769231 0.4230769), wk = 0.0041152 k( 236) = ( 0.0673077 0.0673077 0.4326923), wk = 0.0041152 k( 237) = ( 0.0576923 0.0576923 0.4423077), wk = 0.0041152 k( 238) = ( 0.0480769 0.0480769 0.4519231), wk = 0.0041152 k( 239) = ( 0.0384615 0.0384615 0.4615385), wk = 0.0041152 k( 240) = ( 0.0288462 0.0288462 0.4711539), wk = 0.0041152 k( 241) = ( 0.0192308 0.0192308 0.4807692), wk = 0.0041152 k( 242) = ( 0.0096154 0.0096154 0.4903846), wk = 0.0041152 k( 243) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0041152 Dense grid: 121847 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 30501 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.24 Mb ( 222, 70) NL pseudopotentials 0.29 Mb ( 111, 170) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.03 Mb ( 3386) G-vector shells 0.00 Mb ( 567) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.95 Mb ( 222, 280) Each subspace H/S matrix 0.07 Mb ( 70, 70) Each matrix 0.36 Mb ( 170, 2, 70) The potential is recalculated from file : ./Hg4Pt.save/charge-density.dat Starting wfc are 90 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.2 secs Computing kpt #: 2 total cpu time spent up to now is 4.2 secs Computing kpt #: 3 total cpu time spent up to now is 5.1 secs Computing kpt #: 4 total cpu time spent up to now is 6.1 secs Computing kpt #: 5 total cpu time spent up to now is 7.0 secs Computing kpt #: 6 total cpu time spent up to now is 8.0 secs Computing kpt #: 7 total cpu time spent up to now is 9.0 secs Computing kpt #: 8 total cpu time spent up to now is 10.0 secs Computing kpt #: 9 total cpu time spent up to now is 10.9 secs Computing kpt #: 10 total cpu time spent up to now is 11.9 secs Computing kpt #: 11 total cpu time spent up to now is 12.9 secs Computing kpt #: 12 total cpu time spent up to now is 14.0 secs Computing kpt #: 13 total cpu time spent up to now is 14.9 secs Computing kpt #: 14 total cpu time spent up to now is 16.0 secs Computing kpt #: 15 total cpu time spent up to now is 17.1 secs Computing kpt #: 16 total cpu time spent up to now is 18.2 secs Computing kpt #: 17 total cpu time spent up to now is 19.4 secs Computing kpt #: 18 total cpu time spent up to now is 20.5 secs Computing kpt #: 19 total cpu time spent up to now is 22.4 secs Computing kpt #: 20 total cpu time spent up to now is 23.7 secs Computing kpt #: 21 total cpu time spent up to now is 24.9 secs Computing kpt #: 22 total cpu time spent up to now is 26.3 secs Computing kpt #: 23 total cpu time spent up to now is 27.8 secs Computing kpt #: 24 total cpu time spent up to now is 29.3 secs Computing kpt #: 25 total cpu time spent up to now is 31.2 secs Computing kpt #: 26 total cpu time spent up to now is 32.8 secs Computing kpt #: 27 total cpu time spent up to now is 34.3 secs Computing kpt #: 28 total cpu time spent up to now is 35.7 secs Computing kpt #: 29 total cpu time spent up to now is 37.1 secs Computing kpt #: 30 total cpu time spent up to now is 38.3 secs Computing kpt #: 31 total cpu time spent up to now is 39.8 secs Computing kpt #: 32 total cpu time spent up to now is 41.1 secs Computing kpt #: 33 total cpu time spent up to now is 42.3 secs Computing kpt #: 34 total cpu time spent up to now is 43.6 secs Computing kpt #: 35 total cpu time spent up to now is 44.9 secs Computing kpt #: 36 total cpu time spent up to now is 46.3 secs Computing kpt #: 37 total cpu time spent up to now is 47.8 secs Computing kpt #: 38 total cpu time spent up to now is 49.3 secs Computing kpt #: 39 total cpu time spent up to now is 50.8 secs Computing kpt #: 40 total cpu time spent up to now is 52.0 secs Computing kpt #: 41 total cpu time spent up to now is 53.2 secs Computing kpt #: 42 total cpu time spent up to now is 54.2 secs Computing kpt #: 43 total cpu time spent up to now is 55.3 secs Computing kpt #: 44 total cpu time spent up to now is 56.4 secs Computing kpt #: 45 total cpu time spent up to now is 57.5 secs Computing kpt #: 46 total cpu time spent up to now is 58.5 secs Computing kpt #: 47 total cpu time spent up to now is 59.6 secs Computing kpt #: 48 total cpu time spent up to now is 60.6 secs Computing kpt #: 49 total cpu time spent up to now is 61.6 secs Computing kpt #: 50 total cpu time spent up to now is 62.6 secs Computing kpt #: 51 total cpu time spent up to now is 63.5 secs Computing kpt #: 52 total cpu time spent up to now is 64.5 secs Computing kpt #: 53 total cpu time spent up to now is 65.4 secs Computing kpt #: 54 total cpu time spent up to now is 66.3 secs Computing kpt #: 55 total cpu time spent up to now is 67.2 secs Computing kpt #: 56 total cpu time spent up to now is 68.3 secs Computing kpt #: 57 total cpu time spent up to now is 69.4 secs Computing kpt #: 58 total cpu time spent up to now is 70.4 secs Computing kpt #: 59 total cpu time spent up to now is 71.5 secs Computing kpt #: 60 total cpu time spent up to now is 72.6 secs Computing kpt #: 61 total cpu time spent up to now is 73.7 secs Computing kpt #: 62 total cpu time spent up to now is 74.7 secs Computing kpt #: 63 total cpu time spent up to now is 75.9 secs Computing kpt #: 64 total cpu time spent up to now is 77.0 secs Computing kpt #: 65 total cpu time spent up to now is 78.1 secs Computing kpt #: 66 total cpu time spent up to now is 79.2 secs Computing kpt #: 67 total cpu time spent up to now is 80.3 secs Computing kpt #: 68 total cpu time spent up to now is 81.4 secs Computing kpt #: 69 total cpu time spent up to now is 82.5 secs Computing kpt #: 70 total cpu time spent up to now is 83.6 secs Computing kpt #: 71 total cpu time spent up to now is 84.7 secs Computing kpt #: 72 total cpu time spent up to now is 85.8 secs Computing kpt #: 73 total cpu time spent up to now is 86.9 secs Computing kpt #: 74 total cpu time spent up to now is 88.1 secs Computing kpt #: 75 total cpu time spent up to now is 89.2 secs Computing kpt #: 76 total cpu time spent up to now is 90.4 secs Computing kpt #: 77 total cpu time spent up to now is 92.0 secs Computing kpt #: 78 total cpu time spent up to now is 93.8 secs Computing kpt #: 79 total cpu time spent up to now is 95.3 secs Computing kpt #: 80 total cpu time spent up to now is 96.8 secs Computing kpt #: 81 total cpu time spent up to now is 98.9 secs Computing kpt #: 82 total cpu time spent up to now is 100.6 secs Computing kpt #: 83 total cpu time spent up to now is 102.1 secs Computing kpt #: 84 total cpu time spent up to now is 103.2 secs Computing kpt #: 85 total cpu time spent up to now is 104.3 secs Computing kpt #: 86 total cpu time spent up to now is 105.4 secs Computing kpt #: 87 total cpu time spent up to now is 106.5 secs Computing kpt #: 88 total cpu time spent up to now is 107.5 secs Computing kpt #: 89 total cpu time spent up to now is 108.5 secs Computing kpt #: 90 total cpu time spent up to now is 109.5 secs Computing kpt #: 91 total cpu time spent up to now is 110.4 secs Computing kpt #: 92 total cpu time spent up to now is 111.5 secs Computing kpt #: 93 total cpu time spent up to now is 112.6 secs Computing kpt #: 94 total cpu time spent up to now is 113.7 secs Computing kpt #: 95 total cpu time spent up to now is 114.8 secs Computing kpt #: 96 total cpu time spent up to now is 116.1 secs Computing kpt #: 97 total cpu time spent up to now is 117.6 secs Computing kpt #: 98 total cpu time spent up to now is 119.8 secs Computing kpt #: 99 total cpu time spent up to now is 121.2 secs Computing kpt #: 100 total cpu time spent up to now is 122.7 secs Computing kpt #: 101 total cpu time spent up to now is 124.1 secs Computing kpt #: 102 total cpu time spent up to now is 125.6 secs Computing kpt #: 103 total cpu time spent up to now is 126.8 secs Computing kpt #: 104 total cpu time spent up to now is 127.9 secs Computing kpt #: 105 total cpu time spent up to now is 129.0 secs Computing kpt #: 106 total cpu time spent up to now is 130.0 secs Computing kpt #: 107 total cpu time spent up to now is 131.0 secs Computing kpt #: 108 total cpu time spent up to now is 132.0 secs Computing kpt #: 109 total cpu time spent up to now is 133.1 secs Computing kpt #: 110 total cpu time spent up to now is 134.1 secs Computing kpt #: 111 total cpu time spent up to now is 135.1 secs Computing kpt #: 112 total cpu time spent up to now is 136.1 secs Computing kpt #: 113 total cpu time spent up to now is 137.0 secs Computing kpt #: 114 total cpu time spent up to now is 138.0 secs Computing kpt #: 115 total cpu time spent up to now is 139.0 secs Computing kpt #: 116 total cpu time spent up to now is 140.0 secs Computing kpt #: 117 total cpu time spent up to now is 141.0 secs Computing kpt #: 118 total cpu time spent up to now is 142.0 secs Computing kpt #: 119 total cpu time spent up to now is 143.0 secs Computing kpt #: 120 total cpu time spent up to now is 143.9 secs Computing kpt #: 121 total cpu time spent up to now is 144.9 secs Computing kpt #: 122 total cpu time spent up to now is 145.9 secs Computing kpt #: 123 total cpu time spent up to now is 146.8 secs Computing kpt #: 124 total cpu time spent up to now is 147.8 secs Computing kpt #: 125 total cpu time spent up to now is 148.7 secs Computing kpt #: 126 total cpu time spent up to now is 149.6 secs Computing kpt #: 127 total cpu time spent up to now is 150.5 secs Computing kpt #: 128 total cpu time spent up to now is 151.5 secs Computing kpt #: 129 total cpu time spent up to now is 152.4 secs Computing kpt #: 130 total cpu time spent up to now is 153.4 secs Computing kpt #: 131 total cpu time spent up to now is 154.3 secs Computing kpt #: 132 total cpu time spent up to now is 155.3 secs Computing kpt #: 133 total cpu time spent up to now is 156.2 secs Computing kpt #: 134 total cpu time spent up to now is 157.2 secs Computing kpt #: 135 total cpu time spent up to now is 158.2 secs Computing kpt #: 136 total cpu time spent up to now is 159.1 secs Computing kpt #: 137 total cpu time spent up to now is 160.1 secs Computing kpt #: 138 total cpu time spent up to now is 161.1 secs Computing kpt #: 139 total cpu time spent up to now is 162.1 secs Computing kpt #: 140 total cpu time spent up to now is 163.0 secs Computing kpt #: 141 total cpu time spent up to now is 164.0 secs Computing kpt #: 142 total cpu time spent up to now is 165.0 secs Computing kpt #: 143 total cpu time spent up to now is 166.0 secs Computing kpt #: 144 total cpu time spent up to now is 167.0 secs Computing kpt #: 145 total cpu time spent up to now is 168.0 secs Computing kpt #: 146 total cpu time spent up to now is 169.0 secs Computing kpt #: 147 total cpu time spent up to now is 170.0 secs Computing kpt #: 148 total cpu time spent up to now is 171.0 secs Computing kpt #: 149 total cpu time spent up to now is 172.0 secs Computing kpt #: 150 total cpu time spent up to now is 173.0 secs Computing kpt #: 151 total cpu time spent up to now is 174.0 secs Computing kpt #: 152 total cpu time spent up to now is 175.0 secs Computing kpt #: 153 total cpu time spent up to now is 176.0 secs Computing kpt #: 154 total cpu time spent up to now is 177.1 secs Computing kpt #: 155 total cpu time spent up to now is 178.1 secs Computing kpt #: 156 total cpu time spent up to now is 179.2 secs Computing kpt #: 157 total cpu time spent up to now is 180.3 secs Computing kpt #: 158 total cpu time spent up to now is 181.4 secs Computing kpt #: 159 total cpu time spent up to now is 182.5 secs Computing kpt #: 160 total cpu time spent up to now is 183.7 secs Computing kpt #: 161 total cpu time spent up to now is 185.0 secs Computing kpt #: 162 total cpu time spent up to now is 186.4 secs Computing kpt #: 163 total cpu time spent up to now is 187.9 secs Computing kpt #: 164 total cpu time spent up to now is 189.3 secs Computing kpt #: 165 total cpu time spent up to now is 190.8 secs Computing kpt #: 166 total cpu time spent up to now is 192.3 secs Computing kpt #: 167 total cpu time spent up to now is 193.9 secs Computing kpt #: 168 total cpu time spent up to now is 195.4 secs Computing kpt #: 169 total cpu time spent up to now is 197.0 secs Computing kpt #: 170 total cpu time spent up to now is 198.9 secs Computing kpt #: 171 total cpu time spent up to now is 200.2 secs Computing kpt #: 172 total cpu time spent up to now is 201.5 secs Computing kpt #: 173 total cpu time spent up to now is 203.2 secs Computing kpt #: 174 total cpu time spent up to now is 205.0 secs Computing kpt #: 175 total cpu time spent up to now is 206.7 secs Computing kpt #: 176 total cpu time spent up to now is 208.7 secs Computing kpt #: 177 total cpu time spent up to now is 210.5 secs Computing kpt #: 178 total cpu time spent up to now is 212.1 secs Computing kpt #: 179 total cpu time spent up to now is 213.6 secs Computing kpt #: 180 total cpu time spent up to now is 215.0 secs Computing kpt #: 181 total cpu time spent up to now is 216.3 secs Computing kpt #: 182 total cpu time spent up to now is 217.5 secs Computing kpt #: 183 total cpu time spent up to now is 218.6 secs Computing kpt #: 184 total cpu time spent up to now is 219.7 secs Computing kpt #: 185 total cpu time spent up to now is 220.8 secs Computing kpt #: 186 total cpu time spent up to now is 221.9 secs Computing kpt #: 187 total cpu time spent up to now is 223.0 secs Computing kpt #: 188 total cpu time spent up to now is 224.1 secs Computing kpt #: 189 total cpu time spent up to now is 225.2 secs Computing kpt #: 190 total cpu time spent up to now is 226.3 secs Computing kpt #: 191 total cpu time spent up to now is 227.4 secs Computing kpt #: 192 total cpu time spent up to now is 228.5 secs Computing kpt #: 193 total cpu time spent up to now is 229.5 secs Computing kpt #: 194 total cpu time spent up to now is 230.6 secs Computing kpt #: 195 total cpu time spent up to now is 231.7 secs Computing kpt #: 196 total cpu time spent up to now is 232.8 secs Computing kpt #: 197 total cpu time spent up to now is 233.8 secs Computing kpt #: 198 total cpu time spent up to now is 234.8 secs Computing kpt #: 199 total cpu time spent up to now is 236.0 secs Computing kpt #: 200 total cpu time spent up to now is 237.0 secs Computing kpt #: 201 total cpu time spent up to now is 238.1 secs Computing kpt #: 202 total cpu time spent up to now is 239.1 secs Computing kpt #: 203 total cpu time spent up to now is 240.2 secs Computing kpt #: 204 total cpu time spent up to now is 241.3 secs Computing kpt #: 205 total cpu time spent up to now is 242.4 secs Computing kpt #: 206 total cpu time spent up to now is 243.5 secs Computing kpt #: 207 total cpu time spent up to now is 244.6 secs Computing kpt #: 208 total cpu time spent up to now is 245.7 secs Computing kpt #: 209 total cpu time spent up to now is 246.8 secs Computing kpt #: 210 total cpu time spent up to now is 247.9 secs Computing kpt #: 211 total cpu time spent up to now is 249.0 secs Computing kpt #: 212 total cpu time spent up to now is 250.0 secs Computing kpt #: 213 total cpu time spent up to now is 251.0 secs Computing kpt #: 214 total cpu time spent up to now is 251.9 secs Computing kpt #: 215 total cpu time spent up to now is 252.9 secs Computing kpt #: 216 total cpu time spent up to now is 253.8 secs Computing kpt #: 217 total cpu time spent up to now is 255.1 secs Computing kpt #: 218 total cpu time spent up to now is 256.7 secs Computing kpt #: 219 total cpu time spent up to now is 258.2 secs Computing kpt #: 220 total cpu time spent up to now is 259.6 secs Computing kpt #: 221 total cpu time spent up to now is 260.9 secs Computing kpt #: 222 total cpu time spent up to now is 262.1 secs Computing kpt #: 223 total cpu time spent up to now is 263.4 secs Computing kpt #: 224 total cpu time spent up to now is 264.6 secs Computing kpt #: 225 total cpu time spent up to now is 265.7 secs Computing kpt #: 226 total cpu time spent up to now is 266.9 secs Computing kpt #: 227 total cpu time spent up to now is 268.0 secs Computing kpt #: 228 total cpu time spent up to now is 269.1 secs Computing kpt #: 229 total cpu time spent up to now is 270.3 secs Computing kpt #: 230 total cpu time spent up to now is 271.4 secs Computing kpt #: 231 total cpu time spent up to now is 272.5 secs Computing kpt #: 232 total cpu time spent up to now is 273.6 secs Computing kpt #: 233 total cpu time spent up to now is 274.7 secs Computing kpt #: 234 total cpu time spent up to now is 275.7 secs Computing kpt #: 235 total cpu time spent up to now is 276.8 secs Computing kpt #: 236 total cpu time spent up to now is 277.9 secs Computing kpt #: 237 total cpu time spent up to now is 279.0 secs Computing kpt #: 238 total cpu time spent up to now is 280.0 secs Computing kpt #: 239 total cpu time spent up to now is 281.1 secs Computing kpt #: 240 total cpu time spent up to now is 282.1 secs Computing kpt #: 241 total cpu time spent up to now is 283.2 secs Computing kpt #: 242 total cpu time spent up to now is 284.1 secs Computing kpt #: 243 total cpu time spent up to now is 285.1 secs ethr = 1.72E-08, avg # of iterations = 28.3 total cpu time spent up to now is 285.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3805 PWs) bands (ev): 1.7013 1.7013 2.4603 2.4603 2.6527 2.6527 2.6528 2.6528 3.0663 3.0663 3.0664 3.0664 3.1501 3.1501 3.1503 3.1503 3.2394 3.2394 3.6845 3.6845 3.6846 3.6846 4.8347 4.8347 4.9631 4.9631 4.9632 4.9632 5.0118 5.0118 5.1655 5.1655 5.1656 5.1656 5.7494 5.7494 5.9790 5.9790 5.9791 5.9791 6.0645 6.0645 8.4716 8.4716 8.4717 8.4717 8.5297 8.5297 9.3011 9.3011 9.3011 9.3011 11.1412 11.1412 11.1413 11.1413 11.2425 11.2425 11.9018 11.9018 12.8596 12.8596 12.8597 12.8597 13.1249 13.1249 13.1250 13.1250 13.6380 13.6380 k = 0.0098-0.0069 0.0120 ( 3805 PWs) bands (ev): 1.7028 1.7028 2.4609 2.4609 2.6532 2.6532 2.6534 2.6534 3.0666 3.0666 3.0670 3.0670 3.1504 3.1504 3.1507 3.1507 3.2402 3.2402 3.6849 3.6849 3.6851 3.6851 4.8349 4.8349 4.9630 4.9630 4.9631 4.9631 5.0115 5.0115 5.1652 5.1652 5.1655 5.1655 5.7491 5.7491 5.9774 5.9774 5.9784 5.9784 6.0634 6.0634 8.4692 8.4692 8.4703 8.4703 8.5274 8.5274 9.2992 9.2992 9.2996 9.2996 11.1336 11.1336 11.1353 11.1353 11.2339 11.2339 11.9023 11.9023 12.8456 12.8456 12.8519 12.8519 13.1373 13.1373 13.1531 13.1531 13.6517 13.6517 k = 0.0196-0.0139 0.0240 ( 3801 PWs) bands (ev): 1.7071 1.7071 2.4627 2.4627 2.6544 2.6544 2.6556 2.6556 3.0672 3.0672 3.0688 3.0688 3.1509 3.1509 3.1520 3.1520 3.2427 3.2427 3.6862 3.6862 3.6868 3.6868 4.8353 4.8353 4.9628 4.9628 4.9629 4.9629 5.0109 5.0109 5.1642 5.1642 5.1655 5.1655 5.7481 5.7481 5.9727 5.9727 5.9762 5.9762 6.0603 6.0603 8.4621 8.4621 8.4661 8.4661 8.5207 8.5207 9.2937 9.2937 9.2953 9.2953 11.1096 11.1096 11.1173 11.1173 11.2104 11.2104 11.9043 11.9043 12.8113 12.8113 12.8379 12.8379 13.1652 13.1652 13.2274 13.2274 13.6934 13.6934 k = 0.0294-0.0208 0.0360 ( 3821 PWs) bands (ev): 1.7144 1.7144 2.4656 2.4656 2.6565 2.6565 2.6591 2.6591 3.0682 3.0682 3.0719 3.0719 3.1518 3.1518 3.1541 3.1541 3.2468 3.2468 3.6883 3.6883 3.6897 3.6897 4.8361 4.8361 4.9623 4.9623 4.9625 4.9625 5.0098 5.0098 5.1627 5.1627 5.1656 5.1656 5.7464 5.7464 5.9648 5.9648 5.9724 5.9724 6.0554 6.0554 8.4503 8.4503 8.4581 8.4581 8.5108 8.5108 9.2845 9.2845 9.2881 9.2881 11.0669 11.0669 11.0872 11.0872 11.1775 11.1775 11.9092 11.9092 12.7690 12.7690 12.8295 12.8295 13.1947 13.1947 13.3330 13.3330 13.7634 13.7634 k = 0.0392-0.0277 0.0480 ( 3821 PWs) bands (ev): 1.7245 1.7245 2.4697 2.4697 2.6593 2.6593 2.6639 2.6639 3.0695 3.0695 3.0762 3.0762 3.1529 3.1529 3.1572 3.1572 3.2527 3.2527 3.6913 3.6913 3.6938 3.6938 4.8372 4.8372 4.9615 4.9615 4.9620 4.9620 5.0084 5.0084 5.1605 5.1605 5.1656 5.1656 5.7440 5.7440 5.9538 5.9538 5.9665 5.9665 6.0493 6.0493 8.4341 8.4341 8.4447 8.4447 8.4995 8.4995 9.2718 9.2718 9.2782 9.2782 11.0051 11.0051 11.0453 11.0453 11.1394 11.1394 11.9182 11.9182 12.7256 12.7256 12.8315 12.8315 13.2188 13.2188 13.4612 13.4612 13.8602 13.8602 k = 0.0490-0.0347 0.0600 ( 3829 PWs) bands (ev): 1.7375 1.7375 2.4748 2.4748 2.6630 2.6630 2.6702 2.6702 3.0710 3.0710 3.0815 3.0815 3.1544 3.1544 3.1610 3.1610 3.2605 3.2605 3.6951 3.6951 3.6991 3.6991 4.8386 4.8386 4.9601 4.9601 4.9614 4.9614 5.0068 5.0068 5.1579 5.1579 5.1656 5.1656 5.7410 5.7410 5.9397 5.9397 5.9579 5.9579 6.0424 6.0424 8.4137 8.4137 8.4248 8.4248 8.4885 8.4885 9.2556 9.2556 9.2657 9.2657 10.9279 10.9279 10.9924 10.9924 11.0970 11.0970 11.9323 11.9323 12.6840 12.6840 12.8449 12.8449 13.2360 13.2360 13.6070 13.6070 13.9803 13.9803 k = 0.0588-0.0416 0.0720 ( 3845 PWs) bands (ev): 1.7533 1.7533 2.4810 2.4810 2.6675 2.6675 2.6777 2.6777 3.0728 3.0728 3.0879 3.0879 3.1560 3.1560 3.1657 3.1657 3.2701 3.2701 3.6997 3.6997 3.7058 3.7058 4.8403 4.8403 4.9581 4.9581 4.9609 4.9609 5.0051 5.0051 5.1548 5.1548 5.1656 5.1656 5.7374 5.7374 5.9225 5.9225 5.9461 5.9461 6.0356 6.0356 8.3895 8.3895 8.3983 8.3983 8.4782 8.4782 9.2359 9.2359 9.2508 9.2508 10.8398 10.8398 10.9299 10.9299 11.0496 11.0496 11.9515 11.9515 12.6459 12.6459 12.8693 12.8693 13.2472 13.2472 13.7671 13.7671 14.1193 14.1193 k = 0.0686-0.0485 0.0841 ( 3833 PWs) bands (ev): 1.7717 1.7717 2.4882 2.4882 2.6726 2.6726 2.6866 2.6866 3.0748 3.0748 3.0953 3.0953 3.1578 3.1578 3.1712 3.1712 3.2818 3.2818 3.7052 3.7052 3.7138 3.7138 4.8423 4.8423 4.9551 4.9551 4.9604 4.9604 5.0034 5.0034 5.1514 5.1514 5.1656 5.1656 5.7330 5.7330 5.9025 5.9025 5.9306 5.9306 6.0293 6.0293 8.3618 8.3618 8.3663 8.3663 8.4681 8.4681 9.2130 9.2130 9.2335 9.2335 10.7448 10.7448 10.8593 10.8593 10.9968 10.9968 11.9746 11.9746 12.6125 12.6125 12.9036 12.9036 13.2541 13.2541 13.9392 13.9392 14.2739 14.2739 k = 0.0784-0.0555 0.0961 ( 3817 PWs) bands (ev): 1.7929 1.7929 2.4963 2.4963 2.6786 2.6786 2.6968 2.6968 3.0768 3.0768 3.1035 3.1035 3.1598 3.1598 3.1774 3.1774 3.2955 3.2955 3.7115 3.7115 3.7232 3.7232 4.8445 4.8445 4.9512 4.9512 4.9601 4.9601 5.0018 5.0018 5.1477 5.1477 5.1655 5.1655 5.7279 5.7279 5.8797 5.8797 5.9114 5.9114 6.0238 6.0238 8.3299 8.3299 8.3310 8.3310 8.4577 8.4577 9.1869 9.1869 9.2140 9.2140 10.6457 10.6457 10.7824 10.7824 10.9388 10.9388 11.9993 11.9993 12.5854 12.5854 12.9472 12.9472 13.2576 13.2576 14.1213 14.1213 14.4411 14.4411 k = 0.0882-0.0624 0.1081 ( 3817 PWs) bands (ev): 1.8165 1.8165 2.5052 2.5052 2.6852 2.6852 2.7082 2.7082 3.0788 3.0788 3.1125 3.1125 3.1620 3.1620 3.1843 3.1843 3.3113 3.3113 3.7187 3.7187 3.7343 3.7343 4.8469 4.8469 4.9461 4.9461 4.9601 4.9601 5.0004 5.0004 5.1440 5.1440 5.1654 5.1654 5.7219 5.7219 5.8545 5.8545 5.8886 5.8886 6.0192 6.0192 8.2903 8.2903 8.2976 8.2976 8.4466 8.4466 9.1576 9.1576 9.1925 9.1925 10.5443 10.5443 10.7009 10.7009 10.8759 10.8759 12.0223 12.0223 12.5673 12.5673 12.9991 12.9991 13.2589 13.2589 14.3121 14.3121 14.6190 14.6190 k = 0.0980-0.0693 0.1201 ( 3817 PWs) bands (ev): 1.8426 1.8426 2.5149 2.5149 2.6924 2.6924 2.7208 2.7208 3.0808 3.0808 3.1221 3.1221 3.1642 3.1642 3.1917 3.1917 3.3292 3.3292 3.7267 3.7267 3.7470 3.7470 4.8494 4.8494 4.9400 4.9400 4.9606 4.9606 4.9989 4.9989 5.1402 5.1402 5.1653 5.1653 5.7148 5.7148 5.8273 5.8273 5.8626 5.8626 6.0153 6.0153 8.2483 8.2483 8.2620 8.2620 8.4345 8.4345 9.1252 9.1252 9.1689 9.1689 10.4423 10.4423 10.6161 10.6161 10.8088 10.8088 12.0395 12.0395 12.5614 12.5614 13.0586 13.0586 13.2584 13.2584 14.5104 14.5104 14.8060 14.8060 k = 0.1078-0.0763 0.1321 ( 3804 PWs) bands (ev): 1.8710 1.8710 2.5253 2.5253 2.7003 2.7003 2.7346 2.7346 3.0828 3.0828 3.1323 3.1323 3.1665 3.1665 3.1996 3.1996 3.3493 3.3493 3.7356 3.7356 3.7615 3.7615 4.8519 4.8519 4.9327 4.9327 4.9618 4.9618 4.9973 4.9973 5.1365 5.1365 5.1650 5.1650 5.7057 5.7057 5.7990 5.7990 5.8338 5.8338 6.0120 6.0120 8.2046 8.2046 8.2247 8.2247 8.4212 8.4212 9.0898 9.0898 9.1435 9.1435 10.3406 10.3406 10.5292 10.5292 10.7382 10.7382 12.0472 12.0472 12.5709 12.5709 13.1250 13.1250 13.2567 13.2567 14.7155 14.7155 15.0008 15.0008 k = 0.1176-0.0832 0.1441 ( 3812 PWs) bands (ev): 1.9017 1.9017 2.5363 2.5363 2.7086 2.7086 2.7495 2.7495 3.0847 3.0847 3.1429 3.1429 3.1690 3.1690 3.2077 3.2077 3.3713 3.3713 3.7453 3.7453 3.7780 3.7780 4.8542 4.8542 4.9244 4.9244 4.9639 4.9639 4.9955 4.9955 5.1331 5.1331 5.1646 5.1646 5.6933 5.6933 5.7713 5.7713 5.8028 5.8028 6.0092 6.0092 8.1600 8.1600 8.1861 8.1861 8.4066 8.4066 9.0514 9.0514 9.1162 9.1162 10.2398 10.2398 10.4411 10.4411 10.6647 10.6647 12.0429 12.0429 12.5973 12.5973 13.1978 13.1978 13.2540 13.2540 14.9264 14.9264 15.2026 15.2026 k = 0.1275-0.0901 0.1561 ( 3812 PWs) bands (ev): 1.9344 1.9344 2.5479 2.5479 2.7175 2.7175 2.7654 2.7654 3.0865 3.0865 3.1538 3.1538 3.1714 3.1714 3.2160 3.2160 3.3954 3.3954 3.7560 3.7560 3.7966 3.7966 4.8561 4.8561 4.9151 4.9151 4.9671 4.9671 4.9933 4.9933 5.1298 5.1298 5.1640 5.1640 5.6750 5.6750 5.7471 5.7471 5.7701 5.7701 6.0067 6.0067 8.1150 8.1150 8.1465 8.1465 8.3907 8.3907 9.0101 9.0101 9.0872 9.0872 10.1404 10.1404 10.3525 10.3525 10.5890 10.5890 12.0270 12.0270 12.6400 12.6400 13.2509 13.2509 13.2764 13.2764 15.1426 15.1426 15.4105 15.4105 k = 0.1373-0.0971 0.1681 ( 3820 PWs) bands (ev): 1.9689 1.9689 2.5599 2.5599 2.7268 2.7268 2.7823 2.7823 3.0882 3.0882 3.1650 3.1650 3.1740 3.1740 3.2241 3.2241 3.4213 3.4213 3.7676 3.7676 3.8174 3.8174 4.8576 4.8576 4.9050 4.9050 4.9717 4.9717 4.9905 4.9905 5.1267 5.1267 5.1632 5.1632 5.6486 5.6486 5.7290 5.7290 5.7362 5.7362 6.0045 6.0045 8.0702 8.0702 8.1064 8.1064 8.3733 8.3733 8.9660 8.9660 9.0565 9.0565 10.0426 10.0426 10.2639 10.2639 10.5119 10.5119 12.0016 12.0016 12.6965 12.6965 13.2475 13.2475 13.3603 13.3603 15.3635 15.3635 15.6241 15.6241 k = 0.1471-0.1040 0.1801 ( 3824 PWs) bands (ev): 2.0052 2.0052 2.5723 2.5723 2.7366 2.7366 2.8001 2.8001 3.0898 3.0898 3.1762 3.1762 3.1766 3.1766 3.2319 3.2319 3.4488 3.4488 3.7803 3.7803 3.8407 3.8407 4.8584 4.8584 4.8941 4.8941 4.9777 4.9777 4.9871 4.9871 5.1238 5.1238 5.1620 5.1620 5.6154 5.6154 5.7019 5.7019 5.7161 5.7161 6.0026 6.0026 8.0261 8.0261 8.0660 8.0660 8.3543 8.3543 8.9192 8.9192 9.0243 9.0243 9.9467 9.9467 10.1757 10.1757 10.4339 10.4339 11.9691 11.9691 12.7640 12.7640 13.2441 13.2441 13.4490 13.4490 15.5882 15.5882 15.8426 15.8426 k = 0.1569-0.1109 0.1921 ( 3816 PWs) bands (ev): 2.0431 2.0431 2.5851 2.5851 2.7466 2.7466 2.8188 2.8188 3.0912 3.0912 3.1791 3.1791 3.1876 3.1876 3.2392 3.2392 3.4778 3.4778 3.7942 3.7942 3.8665 3.8665 4.8586 4.8586 4.8827 4.8827 4.9830 4.9830 4.9854 4.9854 5.1209 5.1209 5.1605 5.1605 5.5780 5.5780 5.6677 5.6677 5.7064 5.7064 6.0010 6.0010 7.9831 7.9831 8.0257 8.0257 8.3337 8.3337 8.8697 8.8697 8.9906 8.9906 9.8526 9.8526 10.0881 10.0881 10.3556 10.3556 11.9317 11.9317 12.8399 12.8399 13.2411 13.2411 13.5422 13.5422 15.8159 15.8159 16.0658 16.0658 k = 0.1667-0.1179 0.2041 ( 3832 PWs) bands (ev): 2.0823 2.0823 2.5981 2.5981 2.7569 2.7569 2.8383 2.8383 3.0926 3.0926 3.1818 3.1818 3.1988 3.1988 3.2459 3.2459 3.5078 3.5078 3.8095 3.8095 3.8948 3.8948 4.8580 4.8580 4.8706 4.8706 4.9782 4.9782 4.9947 4.9947 5.1178 5.1178 5.1584 5.1584 5.5385 5.5385 5.6346 5.6346 5.6984 5.6984 5.9995 5.9995 7.9414 7.9414 7.9856 7.9856 8.3115 8.3115 8.8177 8.8177 8.9555 8.9555 9.7603 9.7603 10.0015 10.0015 10.2776 10.2776 11.8910 11.8910 12.9224 12.9224 13.2389 13.2389 13.6394 13.6394 16.0433 16.0433 16.2930 16.2930 k = 0.1765-0.1248 0.2161 ( 3816 PWs) bands (ev): 2.1226 2.1226 2.6113 2.6113 2.7673 2.7673 2.8584 2.8584 3.0938 3.0938 3.1844 3.1844 3.2097 3.2097 3.2518 3.2518 3.5385 3.5385 3.8264 3.8264 3.9257 3.9257 4.8567 4.8567 4.8582 4.8582 4.9726 4.9726 5.0054 5.0054 5.1144 5.1144 5.1555 5.1555 5.4984 5.4984 5.6032 5.6032 5.6914 5.6914 5.9983 5.9983 7.9013 7.9013 7.9459 7.9459 8.2875 8.2875 8.7635 8.7635 8.9191 8.9191 9.6697 9.6697 9.9158 9.9158 10.2003 10.2003 11.8482 11.8482 13.0095 13.0095 13.2383 13.2383 13.7404 13.7404 16.2153 16.2153 16.3620 16.3620 k = 0.1863-0.1317 0.2281 ( 3808 PWs) bands (ev): 2.1638 2.1638 2.6248 2.6248 2.7779 2.7779 2.8791 2.8791 3.0949 3.0949 3.1871 3.1871 3.2201 3.2201 3.2569 3.2569 3.5691 3.5691 3.8455 3.8455 3.9593 3.9593 4.8455 4.8455 4.8548 4.8548 4.9660 4.9660 5.0175 5.0175 5.1105 5.1105 5.1514 5.1514 5.4590 5.4590 5.5745 5.5745 5.6851 5.6851 5.9973 5.9973 7.8631 7.8631 7.9066 7.9066 8.2618 8.2618 8.7072 8.7072 8.8815 8.8815 9.5808 9.5808 9.8314 9.8314 10.1240 10.1240 11.8043 11.8043 13.0985 13.0985 13.2412 13.2412 13.8447 13.8447 16.0640 16.0640 16.5423 16.5423 k = 0.1961-0.1386 0.2401 ( 3808 PWs) bands (ev): 2.2057 2.2057 2.6383 2.6383 2.7886 2.7886 2.9002 2.9002 3.0959 3.0959 3.1898 3.1898 3.2296 3.2296 3.2614 3.2614 3.5989 3.5989 3.8671 3.8671 3.9954 3.9954 4.8326 4.8326 4.8523 4.8523 4.9583 4.9583 5.0305 5.0305 5.1064 5.1064 5.1456 5.1456 5.4219 5.4219 5.5492 5.5492 5.6793 5.6793 5.9965 5.9965 7.8268 7.8268 7.8680 7.8680 8.2343 8.2343 8.6490 8.6490 8.8427 8.8427 9.4934 9.4934 9.7481 9.7481 10.0491 10.0491 11.7598 11.7598 13.1786 13.1786 13.2581 13.2581 13.9521 13.9521 15.8532 15.8532 16.7777 16.7777 k = 0.2059-0.1456 0.2522 ( 3808 PWs) bands (ev): 2.2480 2.2480 2.6519 2.6519 2.7993 2.7993 2.9217 2.9217 3.0969 3.0969 3.1924 3.1924 3.2376 3.2376 3.2658 3.2658 3.6270 3.6270 3.8919 3.8919 4.0338 4.0338 4.8198 4.8198 4.8494 4.8494 4.9490 4.9490 5.0439 5.0439 5.1024 5.1024 5.1374 5.1374 5.3888 5.3888 5.5280 5.5280 5.6740 5.6740 5.9958 5.9958 7.7926 7.7926 7.8298 7.8298 8.2051 8.2051 8.5893 8.5893 8.8030 8.8030 9.4075 9.4075 9.6661 9.6661 9.9758 9.9758 11.7151 11.7151 13.2152 13.2152 13.3230 13.3230 14.0623 14.0623 15.6350 15.6350 17.0181 17.0181 k = 0.2157-0.1525 0.2642 ( 3824 PWs) bands (ev): 2.2905 2.2905 2.6656 2.6656 2.8100 2.8100 2.9433 2.9433 3.0979 3.0979 3.1951 3.1951 3.2432 3.2432 3.2706 3.2706 3.6526 3.6526 3.9203 3.9203 4.0745 4.0745 4.8071 4.8071 4.8460 4.8460 4.9379 4.9379 5.0568 5.0568 5.0991 5.0991 5.1264 5.1264 5.3616 5.3616 5.5112 5.5112 5.6692 5.6692 5.9954 5.9954 7.7604 7.7604 7.7922 7.7922 8.1740 8.1740 8.5284 8.5284 8.7624 8.7624 9.3229 9.3229 9.5854 9.5854 9.9041 9.9041 11.6708 11.6708 13.2258 13.2258 13.4182 13.4182 14.1748 14.1748 15.4140 15.4140 17.2587 17.2587 k = 0.2255-0.1594 0.2762 ( 3808 PWs) bands (ev): 2.3329 2.3329 2.6793 2.6793 2.8205 2.8205 2.9649 2.9649 3.0990 3.0990 3.1977 3.1977 3.2459 3.2459 3.2765 3.2765 3.6749 3.6749 3.9528 3.9528 4.1173 4.1173 4.7947 4.7947 4.8424 4.8424 4.9246 4.9246 5.0669 5.0669 5.0975 5.0975 5.1137 5.1137 5.3419 5.3419 5.4990 5.4990 5.6648 5.6648 5.9951 5.9951 7.7304 7.7304 7.7551 7.7551 8.1413 8.1413 8.4666 8.4666 8.7210 8.7210 9.2399 9.2399 9.5061 9.5061 9.8343 9.8343 11.6270 11.6270 13.2332 13.2332 13.5210 13.5210 14.2893 14.2893 15.1922 15.1922 17.4901 17.4901 k = 0.2353-0.1664 0.2882 ( 3816 PWs) bands (ev): 2.3750 2.3750 2.6929 2.6929 2.8310 2.8310 2.9860 2.9860 3.1003 3.1003 3.2003 3.2003 3.2459 3.2459 3.2830 3.2830 3.6936 3.6936 3.9893 3.9893 4.1617 4.1617 4.7829 4.7829 4.8384 4.8384 4.9091 4.9091 5.0662 5.0662 5.0986 5.0986 5.1065 5.1065 5.3310 5.3310 5.4915 5.4915 5.6608 5.6608 5.9951 5.9951 7.7023 7.7023 7.7183 7.7183 8.1069 8.1069 8.4042 8.4042 8.6788 8.6788 9.1582 9.1582 9.4281 9.4281 9.7662 9.7662 11.5840 11.5840 13.2414 13.2414 13.6270 13.6270 14.4047 14.4047 14.9715 14.9715 17.6636 17.6636 k = 0.2451-0.1733 0.3002 ( 3812 PWs) bands (ev): 2.4165 2.4165 2.7065 2.7065 2.8412 2.8412 3.0063 3.0063 3.1022 3.1022 3.2029 3.2029 3.2436 3.2436 3.2895 3.2895 3.7086 3.7086 4.0294 4.0294 4.2076 4.2076 4.7716 4.7716 4.8341 4.8341 4.8914 4.8914 5.0493 5.0493 5.1032 5.1032 5.1110 5.1110 5.3287 5.3287 5.4881 5.4881 5.6573 5.6573 5.9952 5.9952 7.6761 7.6761 7.6816 7.6816 8.0710 8.0710 8.3416 8.3416 8.6362 8.6362 9.0781 9.0781 9.3515 9.3515 9.6998 9.6998 11.5420 11.5420 13.2515 13.2515 13.7351 13.7351 14.5153 14.5153 14.7580 14.7580 17.7520 17.7520 k = 0.2549-0.1802 0.3122 ( 3812 PWs) bands (ev): 2.4571 2.4571 2.7199 2.7199 2.8512 2.8512 3.0250 3.0250 3.1050 3.1050 3.2055 3.2055 3.2396 3.2396 3.2955 3.2955 3.7201 3.7201 4.0726 4.0726 4.2545 4.2545 4.7611 4.7611 4.8296 4.8296 4.8720 4.8720 5.0251 5.0251 5.1120 5.1120 5.1196 5.1196 5.3343 5.3343 5.4887 5.4887 5.6543 5.6543 5.9955 5.9955 7.6450 7.6450 7.6516 7.6516 8.0338 8.0338 8.2791 8.2791 8.5930 8.5930 8.9997 8.9997 9.2763 9.2763 9.6350 9.6350 11.5010 11.5010 13.2640 13.2640 13.8448 13.8448 14.4988 14.4988 14.6744 14.6744 17.8185 17.8185 k = 0.2647-0.1872 0.3242 ( 3812 PWs) bands (ev): 2.4968 2.4968 2.7332 2.7332 2.8610 2.8610 3.0412 3.0412 3.1096 3.1096 3.2082 3.2082 3.2342 3.2342 3.3006 3.3006 3.7285 3.7285 4.1179 4.1179 4.3020 4.3020 4.7516 4.7516 4.8248 4.8248 4.8517 4.8517 4.9992 4.9992 5.1256 5.1256 5.1283 5.1283 5.3465 5.3465 5.4927 5.4927 5.6517 5.6517 5.9959 5.9959 7.6083 7.6083 7.6288 7.6288 7.9956 7.9956 8.2171 8.2171 8.5494 8.5494 8.9230 8.9230 9.2025 9.2025 9.5717 9.5717 11.4613 11.4613 13.2794 13.2794 13.9556 13.9556 14.2947 14.2947 14.7818 14.7818 17.8799 17.8799 k = 0.2745-0.1941 0.3362 ( 3804 PWs) bands (ev): 2.5352 2.5352 2.7463 2.7463 2.8705 2.8705 3.0539 3.0539 3.1165 3.1165 3.2110 3.2110 3.2275 3.2275 3.3046 3.3046 3.7343 3.7343 4.1646 4.1646 4.3495 4.3495 4.7429 4.7429 4.8197 4.8197 4.8309 4.8309 4.9741 4.9741 5.1365 5.1365 5.1443 5.1443 5.3643 5.3643 5.5000 5.5000 5.6496 5.6496 5.9965 5.9965 7.5712 7.5712 7.6072 7.6072 7.9566 7.9566 8.1560 8.1560 8.5055 8.5055 8.8484 8.8484 9.1302 9.1302 9.5096 9.5096 11.4229 11.4229 13.2978 13.2978 14.0671 14.0671 14.0803 14.0803 14.9030 14.9030 17.9394 17.9394 k = 0.2843-0.2010 0.3482 ( 3804 PWs) bands (ev): 2.5722 2.5722 2.7592 2.7592 2.8796 2.8796 3.0624 3.0624 3.1261 3.1261 3.2139 3.2139 3.2198 3.2198 3.3073 3.3073 3.7381 3.7381 4.2118 4.2118 4.3965 4.3965 4.7353 4.7353 4.8105 4.8105 4.8146 4.8146 4.9511 4.9511 5.1441 5.1441 5.1684 5.1684 5.3865 5.3865 5.5103 5.5103 5.6479 5.6479 5.9973 5.9973 7.5335 7.5335 7.5866 7.5866 7.9173 7.9173 8.0961 8.0961 8.4614 8.4614 8.7760 8.7760 9.0593 9.0593 9.4486 9.4486 11.3859 11.3859 13.3196 13.3196 13.8669 13.8669 14.1789 14.1789 15.0268 15.0268 17.9980 17.9980 k = 0.2941-0.2080 0.3602 ( 3804 PWs) bands (ev): 2.6076 2.6076 2.7718 2.7718 2.8885 2.8885 3.0673 3.0673 3.1373 3.1373 3.2111 3.2111 3.2171 3.2171 3.3086 3.3086 3.7405 3.7405 4.2586 4.2586 4.4422 4.4422 4.7286 4.7286 4.7908 4.7908 4.8097 4.8097 4.9312 4.9312 5.1516 5.1516 5.1978 5.1978 5.4123 5.4123 5.5236 5.5236 5.6468 5.6468 5.9982 5.9982 7.4951 7.4951 7.5665 7.5665 7.8783 7.8783 8.0379 8.0379 8.4171 8.4171 8.7061 8.7061 8.9900 8.9900 9.3885 9.3885 11.3503 11.3503 13.3449 13.3449 13.6561 13.6561 14.2908 14.2908 15.1521 15.1521 18.0563 18.0563 k = 0.3039-0.2149 0.3722 ( 3804 PWs) bands (ev): 2.6412 2.6412 2.7841 2.7841 2.8969 2.8969 3.0698 3.0698 3.1486 3.1486 3.2016 3.2016 3.2204 3.2204 3.3086 3.3086 3.7423 3.7423 4.3044 4.3044 4.4855 4.4855 4.7227 4.7227 4.7725 4.7725 4.8056 4.8056 4.9148 4.9148 5.1596 5.1596 5.2323 5.2323 5.4407 5.4407 5.5401 5.5401 5.6461 5.6461 5.9992 5.9992 7.4558 7.4558 7.5461 7.5461 7.8404 7.8404 7.9815 7.9815 8.3728 8.3728 8.6388 8.6388 8.9221 8.9221 9.3289 9.3289 11.3162 11.3162 13.3740 13.3740 13.4486 13.4486 14.4022 14.4022 15.2781 15.2781 18.1147 18.1147 k = 0.3137-0.2218 0.3842 ( 3808 PWs) bands (ev): 2.6730 2.6730 2.7961 2.7961 2.9049 2.9049 3.0707 3.0707 3.1588 3.1588 3.1914 3.1914 3.2240 3.2240 3.3071 3.3071 3.7439 3.7439 4.3486 4.3486 4.5254 4.5254 4.7174 4.7174 4.7562 4.7562 4.8032 4.8032 4.9019 4.9019 5.1686 5.1686 5.2711 5.2711 5.4712 5.4712 5.5605 5.5605 5.6460 5.6460 6.0004 6.0004 7.4154 7.4154 7.5248 7.5248 7.8045 7.8045 7.9274 7.9274 8.3286 8.3286 8.5745 8.5745 8.8558 8.8558 9.2698 9.2698 11.2836 11.2836 13.2451 13.2451 13.4070 13.4070 14.5127 14.5127 15.4045 15.4045 18.1734 18.1734 k = 0.3235-0.2288 0.3962 ( 3800 PWs) bands (ev): 2.7029 2.7029 2.8077 2.8077 2.9125 2.9125 3.0706 3.0706 3.1672 3.1672 3.1806 3.1806 3.2275 3.2275 3.3043 3.3043 3.7463 3.7463 4.3906 4.3906 4.5605 4.5605 4.7118 4.7118 4.7427 4.7427 4.8039 4.8039 4.8922 4.8922 5.1790 5.1790 5.3130 5.3130 5.5032 5.5032 5.5856 5.5856 5.6465 5.6465 6.0018 6.0018 7.3740 7.3740 7.5017 7.5017 7.7717 7.7717 7.8758 7.8758 8.2845 8.2845 8.5133 8.5133 8.7911 8.7911 9.2107 9.2107 11.2526 11.2526 13.0461 13.0461 13.4441 13.4441 14.6220 14.6220 15.5309 15.5309 18.2326 18.2326 k = 0.3333-0.2357 0.4082 ( 3792 PWs) bands (ev): 2.7307 2.7307 2.8188 2.8188 2.9196 2.9196 3.0698 3.0698 3.1693 3.1693 3.1735 3.1735 3.2305 3.2305 3.3004 3.3004 3.7498 3.7498 4.4300 4.4300 4.5894 4.5894 4.7048 4.7048 4.7335 4.7335 4.8086 4.8086 4.8853 4.8853 5.1913 5.1913 5.3560 5.3560 5.5358 5.5358 5.6170 5.6170 5.6480 5.6480 6.0033 6.0033 7.3316 7.3316 7.4756 7.4756 7.7432 7.7432 7.8269 7.8269 8.2407 8.2407 8.4555 8.4555 8.7280 8.7280 9.1515 9.1515 11.2231 11.2231 12.8521 12.8521 13.4854 13.4854 14.7294 14.7294 15.6571 15.6571 18.2924 18.2924 k = 0.3431-0.2426 0.4203 ( 3792 PWs) bands (ev): 2.7565 2.7565 2.8295 2.8295 2.9263 2.9263 3.0685 3.0685 3.1577 3.1577 3.1780 3.1780 3.2328 3.2328 3.2953 3.2953 3.7551 3.7551 4.4663 4.4663 4.6114 4.6114 4.6960 4.6960 4.7292 4.7292 4.8180 4.8180 4.8808 4.8808 5.2061 5.2061 5.3977 5.3977 5.5682 5.5682 5.6512 5.6512 5.6563 5.6563 6.0050 6.0050 7.2884 7.2884 7.4461 7.4461 7.7198 7.7198 7.7810 7.7810 8.1973 8.1973 8.4011 8.4011 8.6665 8.6665 9.0917 9.0917 11.1953 11.1953 12.6637 12.6637 13.5310 13.5310 14.8345 14.8345 15.7825 15.7825 18.3528 18.3528 k = 0.3529-0.2496 0.4323 ( 3792 PWs) bands (ev): 2.7801 2.7801 2.8397 2.8397 2.9324 2.9324 3.0668 3.0668 3.1458 3.1458 3.1809 3.1809 3.2338 3.2338 3.2894 3.2894 3.7622 3.7622 4.4991 4.4991 4.6269 4.6269 4.6865 4.6865 4.7289 4.7289 4.8313 4.8313 4.8784 4.8784 5.2237 5.2237 5.4359 5.4359 5.5978 5.5978 5.6580 5.6580 5.7050 5.7050 6.0069 6.0069 7.2446 7.2446 7.4128 7.4128 7.7020 7.7020 7.7383 7.7383 8.1545 8.1545 8.3504 8.3504 8.6067 8.6067 9.0313 9.0313 11.1690 11.1690 12.4816 12.4816 13.5809 13.5809 14.9364 14.9364 15.9068 15.9068 18.4138 18.4138 k = 0.3627-0.2565 0.4443 ( 3784 PWs) bands (ev): 2.8017 2.8017 2.8494 2.8494 2.9380 2.9380 3.0648 3.0648 3.1339 3.1339 3.1824 3.1824 3.2337 3.2337 3.2829 3.2829 3.7713 3.7713 4.5278 4.5278 4.6370 4.6370 4.6777 4.6777 4.7320 4.7320 4.8463 4.8463 4.8783 4.8783 5.2442 5.2442 5.4692 5.4692 5.6195 5.6195 5.6733 5.6733 5.7630 5.7630 6.0092 6.0092 7.2008 7.2008 7.3761 7.3761 7.6895 7.6895 7.6988 7.6988 8.1126 8.1126 8.3035 8.3035 8.5486 8.5486 8.9697 8.9697 11.1444 11.1444 12.3063 12.3063 13.6351 13.6351 15.0344 15.0344 16.0296 16.0296 18.4756 18.4756 k = 0.3725-0.2634 0.4563 ( 3776 PWs) bands (ev): 2.8212 2.8212 2.8584 2.8584 2.9431 2.9431 3.0625 3.0625 3.1221 3.1221 3.1827 3.1827 3.2324 3.2324 3.2759 3.2759 3.7822 3.7822 4.5518 4.5518 4.6436 4.6436 4.6703 4.6703 4.7382 4.7382 4.8598 4.8598 4.8816 4.8816 5.2675 5.2675 5.4979 5.4979 5.6309 5.6309 5.6995 5.6995 5.8287 5.8287 6.0124 6.0124 7.1574 7.1574 7.3368 7.3368 7.6629 7.6629 7.6820 7.6820 8.0716 8.0716 8.2604 8.2604 8.4923 8.4923 8.9067 8.9067 11.1214 11.1214 12.1386 12.1386 13.6936 13.6936 15.1277 15.1277 16.1502 16.1502 18.5378 18.5684 k = 0.3824-0.2704 0.4683 ( 3780 PWs) bands (ev): 2.8385 2.8385 2.8669 2.8669 2.9475 2.9475 3.0600 3.0600 3.1105 3.1105 3.1819 3.1819 3.2303 3.2303 3.2687 3.2687 3.7946 3.7946 4.5706 4.5706 4.6480 4.6480 4.6645 4.6645 4.7477 4.7477 4.8679 4.8679 4.8904 4.8904 5.2934 5.2934 5.5227 5.5227 5.6366 5.6366 5.7314 5.7314 5.8983 5.8983 6.0179 6.0179 7.1151 7.1151 7.2956 7.2956 7.6309 7.6309 7.6789 7.6789 8.0320 8.0320 8.2211 8.2211 8.4379 8.4379 8.8419 8.8419 11.1001 11.1001 11.9792 11.9792 13.7561 13.7561 15.2152 15.2152 16.2681 16.2681 18.3674 18.3674 k = 0.3922-0.2773 0.4803 ( 3776 PWs) bands (ev): 2.8538 2.8538 2.8746 2.8746 2.9513 2.9513 3.0574 3.0574 3.0994 3.0994 3.1801 3.1801 3.2278 3.2278 3.2614 3.2614 3.8081 3.8081 4.5839 4.5839 4.6511 4.6511 4.6607 4.6607 4.7602 4.7602 4.8720 4.8720 4.9026 4.9026 5.3210 5.3210 5.5444 5.5444 5.6402 5.6402 5.7653 5.7653 5.9619 5.9619 6.0334 6.0334 7.0748 7.0748 7.2536 7.2536 7.6031 7.6031 7.6795 7.6795 7.9938 7.9938 8.1855 8.1855 8.3853 8.3853 8.7751 8.7751 11.0804 11.0804 11.8289 11.8289 13.8223 13.8223 15.2957 15.2957 16.3826 16.3826 18.1767 18.1767 k = 0.4020-0.2842 0.4923 ( 3772 PWs) bands (ev): 2.8670 2.8670 2.8817 2.8817 2.9545 2.9545 3.0548 3.0548 3.0890 3.0890 3.1775 3.1775 3.2253 3.2253 3.2543 3.2543 3.8222 3.8222 4.5921 4.5921 4.6534 4.6534 4.6588 4.6588 4.7753 4.7753 4.8750 4.8750 4.9145 4.9145 5.3497 5.3497 5.5639 5.5639 5.6431 5.6431 5.7994 5.7994 5.9941 5.9941 6.0816 6.0816 7.0374 7.0374 7.2113 7.2113 7.5802 7.5802 7.6832 7.6832 7.9576 7.9576 8.1537 8.1537 8.3347 8.3347 8.7059 8.7059 11.0624 11.0624 11.6884 11.6884 13.8920 13.8920 15.3679 15.3679 16.4930 16.4930 17.9976 17.9976 k = 0.4118-0.2912 0.5043 ( 3784 PWs) bands (ev): 2.8782 2.8782 2.8880 2.8880 2.9570 2.9570 3.0523 3.0523 3.0794 3.0794 3.1743 3.1743 3.2230 3.2230 3.2476 3.2476 3.8364 3.8364 4.5964 4.5964 4.6554 4.6554 4.6584 4.6584 4.7921 4.7921 4.8779 4.8779 4.9252 4.9252 5.3786 5.3786 5.5815 5.5815 5.6457 5.6457 5.8329 5.8329 6.0034 6.0034 6.1512 6.1512 7.0039 7.0039 7.1698 7.1698 7.5629 7.5629 7.6897 7.6897 7.9236 7.9236 8.1255 8.1255 8.2861 8.2861 8.6341 8.6341 11.0460 11.0460 11.5586 11.5586 13.9645 13.9645 15.4304 15.4304 16.5982 16.5982 17.8318 17.8318 k = 0.4216-0.2981 0.5163 ( 3784 PWs) bands (ev): 2.8874 2.8874 2.8936 2.8936 2.9589 2.9589 3.0499 3.0499 3.0708 3.0708 3.1707 3.1707 3.2211 3.2211 3.2412 3.2412 3.8504 3.8504 4.5980 4.5980 4.6571 4.6571 4.6589 4.6589 4.8096 4.8096 4.8806 4.8806 4.9345 4.9345 5.4068 5.4068 5.5976 5.5976 5.6483 5.6483 5.8654 5.8654 6.0075 6.0075 6.2218 6.2218 6.9755 6.9755 7.1295 7.1295 7.5522 7.5522 7.6984 7.6984 7.8923 7.8923 8.1007 8.1007 8.2397 8.2397 8.5598 8.5598 11.0314 11.0314 11.4402 11.4402 14.0390 14.0390 15.4818 15.4818 16.6974 16.6974 17.6808 17.6808 k = 0.4314-0.3050 0.5283 ( 3784 PWs) bands (ev): 2.8948 2.8948 2.8984 2.8984 2.9601 2.9601 3.0478 3.0478 3.0633 3.0633 3.1671 3.1671 3.2195 3.2195 3.2354 3.2354 3.8636 3.8636 4.5983 4.5983 4.6586 4.6586 4.6597 4.6597 4.8268 4.8268 4.8833 4.8833 4.9425 4.9425 5.4333 5.4333 5.6122 5.6122 5.6509 5.6509 5.8963 5.8963 6.0101 6.0101 6.2869 6.2869 6.9536 6.9536 7.0914 7.0914 7.5493 7.5493 7.7088 7.7088 7.8642 7.8642 8.0792 8.0792 8.1956 8.1956 8.4829 8.4829 11.0184 11.0184 11.3340 11.3340 14.1146 14.1146 15.5207 15.5207 16.7894 16.7894 17.5464 17.5464 k = 0.4412-0.3120 0.5403 ( 3788 PWs) bands (ev): 2.9006 2.9006 2.9024 2.9024 2.9608 2.9608 3.0460 3.0460 3.0571 3.0571 3.1636 3.1636 3.2182 3.2182 3.2303 3.2303 3.8758 3.8758 4.5978 4.5978 4.6599 4.6599 4.6607 4.6607 4.8430 4.8430 4.8859 4.8859 4.9492 4.9492 5.4575 5.4575 5.6254 5.6254 5.6537 5.6537 5.9249 5.9249 6.0120 6.0120 6.3427 6.3427 6.9389 6.9389 7.0560 7.0560 7.5555 7.5555 7.7201 7.7201 7.8402 7.8402 8.0610 8.0610 8.1541 8.1541 8.4037 8.4037 11.0072 11.0072 11.2406 11.2406 14.1896 14.1896 15.5465 15.5465 16.8729 16.8729 17.4302 17.4302 k = 0.4510-0.3189 0.5523 ( 3788 PWs) bands (ev): 2.9048 2.9048 2.9056 2.9056 2.9610 2.9610 3.0446 3.0446 3.0521 3.0521 3.1605 3.1605 3.2173 3.2173 3.2258 3.2258 3.8866 3.8866 4.5971 4.5971 4.6610 4.6610 4.6615 4.6615 4.8576 4.8576 4.8882 4.8882 4.9548 4.9548 5.4787 5.4787 5.6371 5.6371 5.6564 5.6564 5.9509 5.9509 6.0136 6.0136 6.3870 6.3870 6.9317 6.9317 7.0241 7.0241 7.5718 7.5718 7.7310 7.7310 7.8216 7.8216 8.0458 8.0458 8.1154 8.1154 8.3231 8.3231 10.9977 10.9977 11.1607 11.1607 14.2622 14.2622 15.5594 15.5594 16.9468 16.9468 17.3333 17.3333 k = 0.4608-0.3258 0.5643 ( 3788 PWs) bands (ev): 2.9078 2.9078 2.9081 2.9081 2.9610 2.9610 3.0435 3.0435 3.0482 3.0482 3.1578 3.1578 3.2166 3.2166 3.2221 3.2221 3.8957 3.8957 4.5964 4.5964 4.6619 4.6619 4.6623 4.6623 4.8701 4.8701 4.8901 4.8901 4.9594 4.9594 5.4964 5.4964 5.6470 5.6470 5.6592 5.6592 5.9734 5.9734 6.0148 6.0148 6.4192 6.4192 6.9307 6.9307 6.9964 6.9964 7.5988 7.5988 7.7388 7.7388 7.8104 7.8104 8.0334 8.0334 8.0802 8.0802 8.2422 8.2422 10.9899 10.9899 11.0947 11.0947 14.3298 14.3298 15.5608 15.5608 17.0097 17.0097 17.2561 17.2561 k = 0.4706-0.3328 0.5764 ( 3788 PWs) bands (ev): 2.9097 2.9097 2.9099 2.9099 2.9608 2.9608 3.0428 3.0428 3.0454 3.0454 3.1557 3.1557 3.2160 3.2160 3.2192 3.2192 3.9031 3.9031 4.5958 4.5958 4.6626 4.6626 4.6629 4.6629 4.8803 4.8803 4.8917 4.8917 4.9630 4.9630 5.5103 5.5103 5.6550 5.6550 5.6617 5.6617 5.9919 5.9919 6.0158 6.0158 6.4404 6.4404 6.9339 6.9339 6.9739 6.9739 7.6355 7.6355 7.7412 7.7412 7.8087 7.8087 8.0238 8.0238 8.0493 8.0493 8.1634 8.1634 10.9838 10.9838 11.0429 11.0429 14.3890 14.3890 15.5539 15.5539 17.0602 17.0602 17.1981 17.1981 k = 0.4804-0.3397 0.5884 ( 3772 PWs) bands (ev): 2.9109 2.9109 2.9111 2.9111 2.9606 2.9606 3.0423 3.0423 3.0435 3.0435 3.1542 3.1542 3.2157 3.2157 3.2171 3.2171 3.9084 3.9084 4.5953 4.5953 4.6631 4.6631 4.6633 4.6633 4.8877 4.8877 4.8928 4.8928 4.9656 4.9656 5.5202 5.5202 5.6609 5.6609 5.6638 5.6638 6.0057 6.0057 6.0165 6.0165 6.4530 6.4530 6.9384 6.9384 6.9572 6.9572 7.6781 7.6781 7.7392 7.7392 7.8141 7.8141 8.0167 8.0167 8.0242 8.0242 8.0912 8.0912 10.9795 10.9795 11.0058 11.0058 14.4359 14.4359 15.5434 15.5434 17.0973 17.0973 17.1583 17.1583 k = 0.4902-0.3466 0.6004 ( 3772 PWs) bands (ev): 2.9116 2.9116 2.9118 2.9118 2.9605 2.9605 3.0420 3.0420 3.0424 3.0424 3.1533 3.1533 3.2155 3.2155 3.2159 3.2159 3.9117 3.9117 4.5950 4.5950 4.6634 4.6634 4.6635 4.6635 4.8922 4.8922 4.8935 4.8935 4.9672 4.9672 5.5261 5.5261 5.6645 5.6645 5.6652 5.6652 6.0142 6.0142 6.0170 6.0170 6.4593 6.4593 6.9420 6.9420 6.9468 6.9468 7.7175 7.7175 7.7364 7.7364 7.8207 7.8207 8.0072 8.0072 8.0099 8.0099 8.0366 8.0366 10.9768 10.9768 10.9834 10.9834 14.4662 14.4662 15.5342 15.5342 17.1199 17.1199 17.1351 17.1351 k = 0.5000-0.3536 0.6124 ( 3716 PWs) bands (ev): 2.9118 2.9118 2.9120 2.9120 2.9604 2.9604 3.0419 3.0419 3.0421 3.0421 3.1529 3.1529 3.2153 3.2153 3.2155 3.2155 3.9128 3.9128 4.5949 4.5949 4.6635 4.6635 4.6636 4.6636 4.8937 4.8937 4.8938 4.8938 4.9677 4.9677 5.5281 5.5281 5.6656 5.6656 5.6658 5.6658 6.0171 6.0171 6.0171 6.0171 6.4613 6.4613 6.9433 6.9433 6.9434 6.9434 7.7352 7.7352 7.7352 7.7352 7.8236 7.8236 8.0011 8.0011 8.0011 8.0011 8.0205 8.0205 10.9760 10.9760 10.9760 10.9760 14.4768 14.4768 15.5306 15.5306 17.1275 17.1275 17.1275 17.1275 k = 0.5000-0.3536 0.6124 ( 3716 PWs) bands (ev): 2.9118 2.9118 2.9120 2.9120 2.9604 2.9604 3.0419 3.0419 3.0421 3.0421 3.1529 3.1529 3.2153 3.2153 3.2155 3.2155 3.9128 3.9128 4.5949 4.5949 4.6635 4.6635 4.6636 4.6636 4.8937 4.8937 4.8938 4.8938 4.9677 4.9677 5.5281 5.5281 5.6656 5.6656 5.6658 5.6658 6.0171 6.0171 6.0171 6.0171 6.4613 6.4613 6.9433 6.9433 6.9434 6.9434 7.7352 7.7352 7.7352 7.7352 7.8236 7.8236 8.0011 8.0011 8.0011 8.0011 8.0205 8.0205 10.9760 10.9760 10.9760 10.9760 14.4768 14.4768 15.5306 15.5306 17.1275 17.1275 17.1275 17.1275 k = 0.4861-0.3437 0.6124 ( 3774 PWs) bands (ev): 2.9113 2.9113 2.9121 2.9121 2.9605 2.9605 3.0421 3.0421 3.0423 3.0423 3.1533 3.1533 3.2155 3.2155 3.2158 3.2158 3.9117 3.9117 4.5950 4.5950 4.6634 4.6634 4.6636 4.6636 4.8924 4.8924 4.8933 4.8933 4.9672 4.9672 5.5261 5.5261 5.6645 5.6645 5.6652 5.6652 6.0149 6.0149 6.0163 6.0163 6.4594 6.4594 6.9428 6.9428 6.9461 6.9461 7.7215 7.7215 7.7315 7.7315 7.8208 7.8208 8.0079 8.0079 8.0141 8.0141 8.0325 8.0325 10.9785 10.9785 10.9818 10.9818 14.4661 14.4661 15.5343 15.5343 17.1236 17.1236 17.1314 17.1314 k = 0.4722-0.3339 0.6124 ( 3780 PWs) bands (ev): 2.9096 2.9096 2.9125 2.9125 2.9606 2.9606 3.0426 3.0426 3.0432 3.0432 3.1542 3.1542 3.2160 3.2160 3.2168 3.2168 3.9084 3.9084 4.5953 4.5953 4.6630 4.6630 4.6634 4.6634 4.8884 4.8884 4.8921 4.8921 4.9656 4.9656 5.5202 5.5202 5.6611 5.6611 5.6636 5.6636 6.0083 6.0083 6.0138 6.0138 6.4536 6.4536 6.9408 6.9408 6.9541 6.9541 7.6868 7.6868 7.7224 7.7224 7.8147 7.8147 8.0213 8.0213 8.0479 8.0479 8.0702 8.0702 10.9861 10.9861 10.9993 10.9993 14.4351 14.4351 15.5445 15.5445 17.1120 17.1120 17.1427 17.1427 k = 0.4583-0.3241 0.6124 ( 3784 PWs) bands (ev): 2.9066 2.9066 2.9133 2.9133 2.9610 2.9610 3.0434 3.0434 3.0446 3.0446 3.1557 3.1557 3.2168 3.2168 3.2184 3.2184 3.9030 3.9030 4.5958 4.5958 4.6623 4.6623 4.6632 4.6632 4.8820 4.8820 4.8900 4.8900 4.9631 4.9631 5.5106 5.5106 5.6554 5.6554 5.6611 5.6611 5.9976 5.9976 6.0098 6.0098 6.4438 6.4438 6.9371 6.9371 6.9674 6.9674 7.6418 7.6418 7.7125 7.7125 7.8079 7.8079 8.0395 8.0395 8.0929 8.0929 8.1271 8.1271 10.9988 10.9988 11.0282 11.0282 14.3859 14.3859 15.5590 15.5590 17.0932 17.0932 17.1613 17.1613 k = 0.4444-0.3143 0.6124 ( 3784 PWs) bands (ev): 2.9022 2.9022 2.9143 2.9143 2.9615 2.9615 3.0446 3.0446 3.0466 3.0466 3.1578 3.1578 3.2179 3.2179 3.2207 3.2207 3.8956 3.8956 4.5964 4.5964 4.6613 4.6613 4.6628 4.6628 4.8733 4.8733 4.8870 4.8870 4.9597 4.9597 5.4974 5.4974 5.6478 5.6478 5.6578 5.6578 5.9829 5.9829 6.0044 6.0044 6.4298 6.4298 6.9307 6.9307 6.9855 6.9855 7.5937 7.5937 7.7057 7.7057 7.8016 7.8016 8.0629 8.0629 8.1422 8.1422 8.1975 8.1975 11.0167 11.0167 11.0685 11.0685 14.3214 14.3214 15.5749 15.5749 17.0682 17.0682 17.1866 17.1866 k = 0.4306-0.3044 0.6124 ( 3778 PWs) bands (ev): 2.8963 2.8963 2.9156 2.9156 2.9622 2.9622 3.0463 3.0463 3.0491 3.0491 3.1605 3.1605 3.2193 3.2193 3.2237 3.2237 3.8862 3.8862 4.5973 4.5973 4.6600 4.6600 4.6624 4.6624 4.8627 4.8627 4.8832 4.8832 4.9555 4.9555 5.4811 5.4811 5.6386 5.6386 5.6538 5.6538 5.9648 5.9648 5.9977 5.9977 6.4115 6.4115 6.9207 6.9207 7.0077 7.0077 7.5470 7.5470 7.7039 7.7039 7.7961 7.7961 8.0910 8.0910 8.1925 8.1925 8.2784 8.2784 11.0398 11.0398 11.1198 11.1198 14.2446 14.2446 15.5888 15.5888 17.0385 17.0385 17.2178 17.2178 k = 0.4167-0.2946 0.6124 ( 3774 PWs) bands (ev): 2.8889 2.8889 2.9170 2.9170 2.9632 2.9632 3.0485 3.0485 3.0522 3.0522 3.1637 3.1637 3.2210 3.2210 3.2273 3.2273 3.8751 3.8751 4.5982 4.5982 4.6585 4.6585 4.6618 4.6618 4.8506 4.8506 4.8784 4.8784 4.9507 4.9507 5.4621 5.4621 5.6279 5.6279 5.6493 5.6493 5.9435 5.9435 5.9897 5.9897 6.3891 6.3891 6.9057 6.9057 7.0327 7.0327 7.5052 7.5052 7.7082 7.7082 7.7916 7.7916 8.1233 8.1233 8.2423 8.2423 8.3679 8.3679 11.0684 11.0684 11.1818 11.1818 14.1584 14.1584 15.5978 15.5978 17.0060 17.0060 17.2543 17.2543 k = 0.4028-0.2848 0.6124 ( 3786 PWs) bands (ev): 2.8797 2.8797 2.9186 2.9186 2.9644 2.9644 3.0513 3.0513 3.0558 3.0558 3.1675 3.1675 3.2230 3.2230 3.2315 3.2315 3.8625 3.8625 4.5993 4.5993 4.6567 4.6567 4.6611 4.6611 4.8374 4.8374 4.8728 4.8728 4.9455 4.9455 5.4410 5.4410 5.6160 5.6160 5.6442 5.6442 5.9196 5.9196 5.9807 5.9807 6.3631 6.3631 6.8845 6.8845 7.0590 7.0590 7.4710 7.4710 7.7186 7.7186 7.7883 7.7883 8.1594 8.1594 8.2909 8.2909 8.4645 8.4645 11.1025 11.1025 11.2541 11.2541 14.0652 14.0652 15.5988 15.5988 16.9730 16.9730 17.2951 17.2951 k = 0.3889-0.2750 0.6124 ( 3786 PWs) bands (ev): 2.8687 2.8687 2.9203 2.9203 2.9658 2.9658 3.0547 3.0547 3.0599 3.0599 3.1716 3.1716 3.2252 3.2252 3.2362 3.2362 3.8486 3.8486 4.6002 4.6002 4.6546 4.6546 4.6602 4.6602 4.8237 4.8237 4.8662 4.8662 4.9400 4.9400 5.4184 5.4184 5.6032 5.6032 5.6387 5.6387 5.8933 5.8933 5.9706 5.9706 6.3340 6.3340 6.8559 6.8559 7.0848 7.0848 7.4468 7.4468 7.7350 7.7350 7.7863 7.7863 8.1987 8.1987 8.3378 8.3378 8.5671 8.5671 11.1424 11.1424 11.3362 11.3362 13.9668 13.9668 15.5891 15.5891 16.9426 16.9426 17.3396 17.3396 k = 0.3750-0.2652 0.6124 ( 3784 PWs) bands (ev): 2.8560 2.8560 2.9221 2.9221 2.9674 2.9674 3.0588 3.0588 3.0646 3.0646 3.1762 3.1762 3.2278 3.2278 3.2415 3.2415 3.8337 3.8337 4.6007 4.6007 4.6523 4.6523 4.6594 4.6594 4.8099 4.8099 4.8587 4.8587 4.9345 4.9345 5.3947 5.3947 5.5896 5.5896 5.6326 5.6326 5.8652 5.8652 5.9595 5.9595 6.3024 6.3024 6.8195 6.8195 7.1084 7.1084 7.4343 7.4343 7.7568 7.7568 7.7857 7.7857 8.2408 8.2408 8.3831 8.3831 8.6747 8.6747 11.1882 11.1882 11.4278 11.4278 13.8652 13.8652 15.5665 15.5665 16.9174 16.9174 17.3870 17.3870 k = 0.3611-0.2553 0.6124 ( 3786 PWs) bands (ev): 2.8416 2.8416 2.9238 2.9238 2.9691 2.9691 3.0634 3.0634 3.0697 3.0697 3.1811 3.1811 3.2306 3.2306 3.2472 3.2472 3.8182 3.8182 4.6003 4.6003 4.6497 4.6497 4.6588 4.6588 4.7967 4.7967 4.8503 4.8503 4.9293 4.9293 5.3706 5.3706 5.5754 5.5754 5.6259 5.6259 5.8357 5.8357 5.9474 5.9474 6.2690 6.2690 6.7758 6.7758 7.1285 7.1285 7.4332 7.4332 7.7818 7.7818 7.7887 7.7887 8.2854 8.2854 8.4265 8.4265 8.7866 8.7866 11.2403 11.2403 11.5282 11.5282 13.7615 13.7615 15.5293 15.5293 16.9000 16.9000 17.4367 17.4367 k = 0.3472-0.2455 0.6124 ( 3782 PWs) bands (ev): 2.8256 2.8256 2.9255 2.9255 2.9710 2.9710 3.0685 3.0685 3.0753 3.0753 3.1862 3.1862 3.2337 3.2337 3.2533 3.2533 3.8024 3.8024 4.5983 4.5983 4.6470 4.6470 4.6587 4.6587 4.7844 4.7844 4.8412 4.8412 4.9244 4.9244 5.3465 5.3465 5.5606 5.5606 5.6184 5.6184 5.8052 5.8052 5.9343 5.9343 6.2344 6.2344 6.7257 6.7257 7.1449 7.1449 7.4422 7.4422 7.7880 7.7880 7.8167 7.8167 8.3319 8.3319 8.4682 8.4682 8.9019 8.9019 11.2988 11.2988 11.6371 11.6371 13.6572 13.6572 15.4768 15.4768 16.8923 16.8923 17.4884 17.4884 k = 0.3333-0.2357 0.6124 ( 3782 PWs) bands (ev): 2.8079 2.8079 2.9270 2.9270 2.9729 2.9729 3.0741 3.0741 3.0815 3.0815 3.1915 3.1915 3.2370 3.2370 3.2598 3.2598 3.7868 3.7868 4.5936 4.5936 4.6443 4.6443 4.6597 4.6597 4.7736 4.7736 4.8316 4.8316 4.9202 4.9202 5.3229 5.3229 5.5454 5.5454 5.6101 5.6101 5.7741 5.7741 5.9201 5.9201 6.1989 6.1989 6.6706 6.6706 7.1581 7.1581 7.4585 7.4585 7.7922 7.7922 7.8528 7.8528 8.3799 8.3799 8.5083 8.5083 9.0198 9.0198 11.3641 11.3641 11.7539 11.7539 13.5532 13.5532 15.4090 15.4090 16.8951 16.8951 17.5415 17.5415 k = 0.3194-0.2259 0.6124 ( 3790 PWs) bands (ev): 2.7887 2.7887 2.9283 2.9283 2.9748 2.9748 3.0801 3.0801 3.0882 3.0882 3.1968 3.1968 3.2406 3.2406 3.2665 3.2665 3.7717 3.7717 4.5857 4.5857 4.6415 4.6415 4.6623 4.6623 4.7646 4.7646 4.8219 4.8219 4.9166 4.9166 5.2999 5.2999 5.5299 5.5299 5.6006 5.6006 5.7432 5.7432 5.9048 5.9048 6.1631 6.1631 6.6118 6.6118 7.1689 7.1689 7.4793 7.4793 7.7979 7.7979 7.8929 7.8929 8.4289 8.4289 8.5468 8.5468 9.1398 9.1398 11.4365 11.4365 11.8781 11.8781 13.4506 13.4506 15.3271 15.3271 16.9085 16.9085 17.5959 17.5959 k = 0.3056-0.2161 0.6124 ( 3790 PWs) bands (ev): 2.7682 2.7682 2.9294 2.9294 2.9768 2.9768 3.0864 3.0864 3.0955 3.0955 3.2020 3.2020 3.2444 3.2444 3.2734 3.2734 3.7576 3.7576 4.5742 4.5742 4.6386 4.6386 4.6666 4.6666 4.7575 4.7575 4.8125 4.8125 4.9139 4.9139 5.2778 5.2778 5.5140 5.5140 5.5894 5.5894 5.7131 5.7131 5.8884 5.8884 6.1274 6.1274 6.5506 6.5506 7.1784 7.1784 7.5020 7.5020 7.8054 7.8054 7.9364 7.9364 8.4784 8.4784 8.5839 8.5839 9.2611 9.2611 11.5161 11.5161 12.0093 12.0093 13.3502 13.3502 15.2326 15.2326 16.9318 16.9318 17.6514 17.6514 k = 0.2917-0.2062 0.6124 ( 3798 PWs) bands (ev): 2.7465 2.7465 2.9302 2.9302 2.9786 2.9786 3.0928 3.0928 3.1033 3.1033 3.2071 3.2071 3.2485 3.2485 3.2804 3.2804 3.7447 3.7447 4.5595 4.5595 4.6353 4.6353 4.6725 4.6725 4.7522 4.7522 4.8038 4.8038 4.9121 4.9121 5.2569 5.2569 5.4976 5.4976 5.5759 5.5759 5.6850 5.6850 5.8709 5.8709 6.0919 6.0919 6.4879 6.4879 7.1870 7.1870 7.5247 7.5247 7.8146 7.8146 7.9829 7.9829 8.5280 8.5280 8.6197 8.6197 9.3831 9.3831 11.6032 11.6032 12.1469 12.1469 13.2529 13.2529 15.1274 15.1274 16.9639 16.9639 17.7081 17.7081 k = 0.2778-0.1964 0.6124 ( 3786 PWs) bands (ev): 2.7238 2.7238 2.9307 2.9307 2.9804 2.9804 3.0994 3.0994 3.1117 3.1117 3.2118 3.2118 3.2529 3.2529 3.2873 3.2873 3.7333 3.7333 4.5422 4.5422 4.6314 4.6314 4.6798 4.6798 4.7487 4.7487 4.7963 4.7963 4.9112 4.9112 5.2371 5.2371 5.4809 5.4809 5.5591 5.5591 5.6599 5.6599 5.8523 5.8523 6.0571 6.0571 6.4246 6.4246 7.1951 7.1951 7.5462 7.5462 7.8256 7.8256 8.0315 8.0315 8.5771 8.5771 8.6545 8.6545 9.5052 9.5052 11.6978 11.6978 12.2903 12.2903 13.1597 13.1597 15.0136 15.0136 17.0038 17.0038 17.7660 17.7660 k = 0.2639-0.1866 0.6124 ( 3790 PWs) bands (ev): 2.7003 2.7003 2.9309 2.9309 2.9821 2.9821 3.1060 3.1060 3.1206 3.1206 3.2162 3.2162 3.2574 3.2574 3.2942 3.2942 3.7237 3.7237 4.5226 4.5226 4.6270 4.6270 4.6882 4.6882 4.7466 4.7466 4.7906 4.7906 4.9113 4.9113 5.2184 5.2184 5.4635 5.4635 5.5386 5.5386 5.6389 5.6389 5.8325 5.8325 6.0230 6.0230 6.3613 6.3613 7.2029 7.2029 7.5659 7.5659 7.8382 7.8382 8.0816 8.0816 8.6250 8.6250 8.6885 8.6885 9.6271 9.6271 11.7999 11.7999 12.4389 12.4389 13.0719 13.0719 14.8927 14.8927 17.0501 17.0501 17.8251 17.8251 k = 0.2500-0.1768 0.6124 ( 3798 PWs) bands (ev): 2.6762 2.6762 2.9306 2.9306 2.9837 2.9837 3.1127 3.1127 3.1298 3.1298 3.2201 3.2201 3.2623 3.2623 3.3010 3.3010 3.7161 3.7161 4.5015 4.5015 4.6220 4.6220 4.6973 4.6973 4.7458 4.7458 4.7869 4.7869 4.9125 4.9125 5.2009 5.2009 5.4454 5.4454 5.5150 5.5150 5.6218 5.6218 5.8115 5.8115 5.9900 5.9900 6.2985 6.2985 7.2105 7.2105 7.5834 7.5834 7.8522 7.8522 8.1325 8.1325 8.6711 8.6711 8.7219 8.7219 9.7482 9.7482 11.9089 11.9089 12.5910 12.5910 12.9918 12.9918 14.7665 14.7665 17.1019 17.1019 17.8857 17.8857 k = 0.2361-0.1670 0.6124 ( 3794 PWs) bands (ev): 2.6518 2.6518 2.9299 2.9299 2.9852 2.9852 3.1192 3.1192 3.1393 3.1393 3.2235 3.2235 3.2673 3.2673 3.3076 3.3076 3.7105 3.7105 4.4792 4.4792 4.6163 4.6163 4.7067 4.7067 4.7463 4.7463 4.7856 4.7856 4.9148 4.9148 5.1845 5.1845 5.4261 5.4261 5.4898 5.4898 5.6078 5.6078 5.7895 5.7895 5.9580 5.9580 6.2367 6.2367 7.2179 7.2179 7.5989 7.5989 7.8673 7.8673 8.1836 8.1836 8.7144 8.7144 8.7554 8.7554 9.8683 9.8683 12.0238 12.0238 12.7390 12.7390 12.9280 12.9280 14.6363 14.6363 17.1581 17.1581 17.9478 17.9478 k = 0.2222-0.1571 0.6124 ( 3796 PWs) bands (ev): 2.6272 2.6272 2.9288 2.9288 2.9866 2.9866 3.1258 3.1258 3.1490 3.1490 3.2265 3.2265 3.2726 3.2726 3.3139 3.3139 3.7069 3.7069 4.4563 4.4563 4.6099 4.6099 4.7158 4.7158 4.7480 4.7480 4.7870 4.7870 4.9184 4.9184 5.1690 5.1690 5.4050 5.4050 5.4646 5.4646 5.5961 5.5961 5.7665 5.7665 5.9272 5.9272 6.1762 6.1762 7.2252 7.2252 7.6123 7.6123 7.8831 7.8831 8.2340 8.2340 8.7539 8.7539 8.7896 8.7896 9.9872 9.9872 12.1419 12.1419 12.8087 12.8087 12.9574 12.9574 14.5036 14.5036 17.2178 17.2178 18.0115 18.0115 k = 0.2083-0.1473 0.6124 ( 3796 PWs) bands (ev): 2.6027 2.6027 2.9273 2.9273 2.9879 2.9879 3.1321 3.1321 3.1587 3.1587 3.2292 3.2292 3.2779 3.2779 3.3199 3.3199 3.7052 3.7052 4.4331 4.4331 4.6030 4.6030 4.7241 4.7241 4.7512 4.7512 4.7911 4.7911 4.9233 4.9233 5.1544 5.1544 5.3819 5.3819 5.4410 5.4410 5.5859 5.5859 5.7426 5.7426 5.8976 5.8976 6.1173 6.1173 7.2322 7.2322 7.6241 7.6241 7.8993 7.8993 8.2834 8.2834 8.7891 8.7891 8.8248 8.8248 10.1047 10.1047 12.2572 12.2572 12.7787 12.7787 13.1068 13.1068 14.3695 14.3695 17.2800 17.2800 18.0768 18.0768 k = 0.1944-0.1375 0.6124 ( 3792 PWs) bands (ev): 2.5785 2.5785 2.9254 2.9254 2.9890 2.9890 3.1384 3.1384 3.1683 3.1683 3.2317 3.2317 3.2832 3.2832 3.3255 3.3255 3.7053 3.7053 4.4100 4.4100 4.5956 4.5956 4.7312 4.7312 4.7560 4.7560 4.7979 4.7979 4.9295 4.9295 5.1405 5.1405 5.3568 5.3568 5.4197 5.4197 5.5768 5.5768 5.7178 5.7178 5.8692 5.8692 6.0603 6.0603 7.2390 7.2390 7.6344 7.6344 7.9155 7.9155 8.3310 8.3310 8.8204 8.8204 8.8603 8.8603 10.2208 10.2208 12.3548 12.3548 12.7645 12.7645 13.2745 13.2745 14.2359 14.2359 17.3437 17.3437 18.1436 18.1436 k = 0.1806-0.1277 0.6124 ( 3796 PWs) bands (ev): 2.5549 2.5549 2.9232 2.9232 2.9901 2.9901 3.1444 3.1444 3.1775 3.1775 3.2342 3.2342 3.2886 3.2886 3.3308 3.3308 3.7070 3.7070 4.3872 4.3872 4.5880 4.5880 4.7371 4.7371 4.7620 4.7620 4.8072 4.8072 4.9372 4.9372 5.1273 5.1273 5.3304 5.3304 5.4005 5.4005 5.5683 5.5683 5.6925 5.6925 5.8422 5.8422 6.0054 6.0054 7.2455 7.2455 7.6434 7.6434 7.9315 7.9315 8.3765 8.3765 8.8489 8.8489 8.8945 8.8945 10.3355 10.3355 12.4092 12.4092 12.8038 12.8038 13.4455 13.4455 14.1058 14.1058 17.4075 17.4075 18.2109 18.2109 k = 0.1667-0.1179 0.6124 ( 3796 PWs) bands (ev): 2.5321 2.5321 2.9207 2.9207 2.9911 2.9911 3.1502 3.1502 3.1861 3.1861 3.2370 3.2370 3.2938 3.2938 3.3356 3.3356 3.7101 3.7101 4.3652 4.3652 4.5802 4.5802 4.7424 4.7424 4.7691 4.7691 4.8183 4.8183 4.9464 4.9464 5.1145 5.1145 5.3038 5.3038 5.3832 5.3832 5.5603 5.5603 5.6668 5.6668 5.8163 5.8163 5.9531 5.9531 7.2517 7.2517 7.6514 7.6514 7.9470 7.9470 8.4195 8.4195 8.8752 8.8752 8.9268 8.9268 10.4489 10.4489 12.4139 12.4139 12.9041 12.9041 13.6091 13.6091 13.9889 13.9889 17.4694 17.4694 18.2749 18.2749 k = 0.1528-0.1080 0.6124 ( 3792 PWs) bands (ev): 2.5104 2.5104 2.9180 2.9180 2.9920 2.9920 3.1557 3.1557 3.1937 3.1937 3.2402 3.2402 3.2988 3.2988 3.3400 3.3400 3.7143 3.7143 4.3441 4.3441 4.5725 4.5725 4.7475 4.7475 4.7768 4.7768 4.8306 4.8306 4.9570 4.9570 5.1020 5.1020 5.2779 5.2779 5.3672 5.3672 5.5528 5.5528 5.6409 5.6409 5.7918 5.7918 5.9034 5.9034 7.2576 7.2576 7.6586 7.6586 7.9619 7.9619 8.4596 8.4596 8.8996 8.8996 8.9565 8.9565 10.5609 10.5609 12.3917 12.3917 13.0414 13.0414 13.7067 13.7067 13.9450 13.9450 17.5253 17.5253 18.3040 18.3040 k = 0.1389-0.0982 0.6124 ( 3792 PWs) bands (ev): 2.4899 2.4899 2.9152 2.9152 2.9929 2.9929 3.1609 3.1609 3.2002 3.2002 3.2443 3.2443 3.3035 3.3035 3.3440 3.3440 3.7193 3.7193 4.3242 4.3242 4.5649 4.5649 4.7525 4.7525 4.7851 4.7851 4.8436 4.8436 4.9690 4.9690 5.0898 5.0898 5.2534 5.2534 5.3523 5.3523 5.5454 5.5454 5.6150 5.6150 5.7687 5.7687 5.8567 5.8567 7.2630 7.2630 7.6649 7.6649 7.9758 7.9758 8.4966 8.4966 8.9221 8.9221 8.9834 8.9834 10.6715 10.6715 12.3606 12.3606 13.1937 13.1937 13.6501 13.6501 14.0660 14.0660 17.5658 17.5658 18.1862 18.1862 k = 0.1250-0.0884 0.6124 ( 3794 PWs) bands (ev): 2.4707 2.4707 2.9123 2.9123 2.9936 2.9936 3.1658 3.1658 3.2053 3.2053 3.2493 3.2493 3.3079 3.3079 3.3474 3.3474 3.7248 3.7248 4.3056 4.3056 4.5576 4.5576 4.7577 4.7577 4.7938 4.7938 4.8567 4.8567 4.9818 4.9818 5.0778 5.0778 5.2312 5.2312 5.3384 5.3384 5.5380 5.5380 5.5895 5.5895 5.7470 5.7470 5.8133 5.8133 7.2680 7.2680 7.6706 7.6706 7.9888 7.9888 8.5304 8.5304 8.9428 8.9428 9.0075 9.0075 10.7806 10.7806 12.3281 12.3281 13.3313 13.3313 13.5683 13.5683 14.2445 14.2445 17.5654 17.5654 18.0400 18.0400 k = 0.1111-0.0786 0.6124 ( 3796 PWs) bands (ev): 2.4532 2.4532 2.9094 2.9094 2.9943 2.9943 3.1702 3.1702 3.2092 3.2092 3.2550 3.2550 3.3119 3.3119 3.3504 3.3504 3.7306 3.7306 4.2885 4.2885 4.5507 4.5507 4.7630 4.7630 4.8027 4.8027 4.8697 4.8697 4.9947 4.9947 5.0662 5.0662 5.2121 5.2121 5.3256 5.3256 5.5297 5.5297 5.5654 5.5654 5.7269 5.7269 5.7736 5.7736 7.2726 7.2726 7.6757 7.6757 8.0006 8.0006 8.5607 8.5607 8.9615 8.9615 9.0288 9.0288 10.8877 10.8877 12.2973 12.2973 13.3387 13.3387 13.6178 13.6178 14.4363 14.4363 17.4810 17.4810 17.9532 17.9532 k = 0.0972-0.0687 0.6124 ( 3802 PWs) bands (ev): 2.4373 2.4373 2.9067 2.9067 2.9949 2.9949 3.1742 3.1742 3.2119 3.2119 3.2611 3.2611 3.3154 3.3154 3.3529 3.3529 3.7365 3.7365 4.2731 4.2731 4.5443 4.5443 4.7685 4.7685 4.8116 4.8116 4.8823 4.8823 5.0062 5.0062 5.0556 5.0556 5.1968 5.1968 5.3137 5.3137 5.5179 5.5179 5.5455 5.5455 5.7085 5.7085 5.7378 5.7378 7.2767 7.2767 7.6801 7.6801 8.0113 8.0113 8.5876 8.5876 8.9781 8.9781 9.0474 9.0474 10.9923 10.9923 12.2693 12.2693 13.2409 13.2409 13.7783 13.7783 14.6342 14.6342 17.3167 17.3167 17.7656 17.7656 k = 0.0833-0.0589 0.6124 ( 3802 PWs) bands (ev): 2.4233 2.4233 2.9041 2.9041 2.9954 2.9954 3.1777 3.1777 3.2139 3.2139 3.2674 3.2674 3.3183 3.3183 3.3550 3.3550 3.7422 3.7422 4.2594 4.2594 4.5385 4.5385 4.7741 4.7741 4.8201 4.8201 4.8945 4.8945 5.0131 5.0131 5.0485 5.0485 5.1861 5.1861 5.3029 5.3029 5.4994 5.4994 5.5330 5.5330 5.6920 5.6920 5.7065 5.7065 7.2803 7.2803 7.6840 7.6840 8.0206 8.0206 8.6109 8.6109 8.9924 8.9924 9.0634 9.0634 11.0933 11.0933 12.2447 12.2447 13.1303 13.1303 13.9582 13.9582 14.8362 14.8362 17.1182 17.1182 17.5345 17.5345 k = 0.0694-0.0491 0.6124 ( 3810 PWs) bands (ev): 2.4113 2.4113 2.9018 2.9018 2.9958 2.9958 3.1808 3.1808 3.2152 3.2152 3.2734 3.2734 3.3207 3.3207 3.3567 3.3567 3.7474 3.7474 4.2477 4.2477 4.5334 4.5334 4.7797 4.7797 4.8279 4.8279 4.9061 4.9061 5.0113 5.0113 5.0476 5.0476 5.1810 5.1810 5.2933 5.2933 5.4771 5.4771 5.5257 5.5257 5.6760 5.6760 5.6814 5.6814 7.2834 7.2834 7.6873 7.6873 8.0286 8.0286 8.6307 8.6307 9.0044 9.0044 9.0768 9.0768 11.1892 11.1892 12.2235 12.2235 13.0228 13.0228 14.1409 14.1409 15.0414 15.0414 16.9116 16.9116 17.3038 17.3038 k = 0.0556-0.0393 0.6124 ( 3806 PWs) bands (ev): 2.4013 2.4013 2.8998 2.8998 2.9962 2.9962 3.1833 3.1833 3.2162 3.2162 3.2788 3.2788 3.3225 3.3225 3.3581 3.3581 3.7520 3.7520 4.2380 4.2380 4.5292 4.5292 4.7851 4.7851 4.8345 4.8345 4.9172 4.9172 5.0032 5.0032 5.0501 5.0501 5.1815 5.1815 5.2851 5.2851 5.4546 5.4546 5.5204 5.5204 5.6562 5.6562 5.6671 5.6671 7.2859 7.2859 7.6901 7.6901 8.0352 8.0352 8.6469 8.6469 9.0142 9.0142 9.0877 9.0877 11.2776 11.2776 12.2058 12.2058 12.9241 12.9241 14.3193 14.3193 15.2490 15.2490 16.7094 16.7094 17.0763 17.0763 k = 0.0417-0.0295 0.6124 ( 3810 PWs) bands (ev): 2.3934 2.3934 2.8982 2.8982 2.9965 2.9965 3.1853 3.1853 3.2169 3.2169 3.2835 3.2835 3.3237 3.3237 3.3591 3.3591 3.7557 3.7557 4.2304 4.2304 4.5257 4.5257 4.7900 4.7900 4.8398 4.8398 4.9277 4.9277 4.9932 4.9932 5.0519 5.0519 5.1865 5.1865 5.2785 5.2785 5.4339 5.4339 5.5165 5.5165 5.6392 5.6392 5.6574 5.6574 7.2879 7.2879 7.6922 7.6922 8.0404 8.0404 8.6595 8.6595 9.0216 9.0216 9.0962 9.0962 11.3549 11.3549 12.1916 12.1916 12.8386 12.8386 14.4853 14.4853 15.4578 15.4578 16.5211 16.5211 16.8543 16.8543 k = 0.0278-0.0196 0.6124 ( 3810 PWs) bands (ev): 2.3878 2.3878 2.8971 2.8971 2.9967 2.9967 3.1868 3.1868 3.2173 3.2173 3.2870 3.2870 3.3244 3.3244 3.3598 3.3598 3.7585 3.7585 4.2249 4.2249 4.5232 4.5232 4.7940 4.7940 4.8435 4.8435 4.9375 4.9375 4.9833 4.9833 5.0524 5.0524 5.1935 5.1935 5.2735 5.2735 5.4166 5.4166 5.5136 5.5136 5.6270 5.6270 5.6505 5.6505 7.2893 7.2893 7.6937 7.6937 8.0441 8.0441 8.6685 8.6685 9.0269 9.0269 9.1023 9.1023 11.4165 11.4165 12.1808 12.1808 12.7716 12.7716 14.6270 14.6270 15.6660 15.6660 16.3559 16.3559 16.6437 16.6437 k = 0.0139-0.0098 0.6124 ( 3826 PWs) bands (ev): 2.3844 2.3844 2.8964 2.8964 2.9968 2.9968 3.1877 3.1877 3.2176 3.2176 3.2892 3.2892 3.3248 3.3248 3.3602 3.3602 3.7602 3.7602 4.2216 4.2216 4.5217 4.5217 4.7966 4.7966 4.8457 4.8457 4.9459 4.9459 4.9746 4.9746 5.0523 5.0523 5.1996 5.1996 5.2705 5.2705 5.4050 5.4050 5.5117 5.5117 5.6198 5.6198 5.6464 5.6464 7.2902 7.2902 7.6946 7.6946 8.0463 8.0463 8.6739 8.6739 9.0300 9.0300 9.1060 9.1060 11.4569 11.4569 12.1739 12.1739 12.7284 12.7284 14.7263 14.7263 15.8677 15.8677 16.2170 16.2170 16.4657 16.4657 k = 0.0000 0.0000 0.6124 ( 3830 PWs) bands (ev): 2.3833 2.3833 2.8961 2.8961 2.9968 2.9968 3.1880 3.1880 3.2176 3.2176 3.2900 3.2900 3.3249 3.3249 3.3603 3.3603 3.7608 3.7608 4.2204 4.2204 4.5212 4.5212 4.7975 4.7975 4.8463 4.8463 4.9502 4.9502 4.9703 4.9703 5.0521 5.0521 5.2020 5.2020 5.2694 5.2694 5.4008 5.4008 5.5111 5.5111 5.6173 5.6173 5.6450 5.6450 7.2904 7.2904 7.6950 7.6950 8.0470 8.0470 8.6757 8.6757 9.0310 9.0310 9.1072 9.1072 11.4710 11.4710 12.1715 12.1715 12.7134 12.7134 14.7628 14.7628 16.0154 16.0154 16.1062 16.1062 16.3870 16.3870 k = 0.0000 0.0000 0.6124 ( 3830 PWs) bands (ev): 2.3833 2.3833 2.8961 2.8961 2.9968 2.9968 3.1880 3.1880 3.2176 3.2176 3.2900 3.2900 3.3249 3.3249 3.3603 3.3603 3.7608 3.7608 4.2204 4.2204 4.5212 4.5212 4.7975 4.7975 4.8463 4.8463 4.9502 4.9502 4.9703 4.9703 5.0521 5.0521 5.2020 5.2020 5.2694 5.2694 5.4008 5.4008 5.5111 5.5111 5.6173 5.6173 5.6450 5.6450 7.2904 7.2904 7.6950 7.6950 8.0470 8.0470 8.6757 8.6757 9.0310 9.0310 9.1072 9.1072 11.4710 11.4710 12.1715 12.1715 12.7134 12.7134 14.7628 14.7628 16.0154 16.0154 16.1062 16.1062 16.3870 16.3870 k = 0.0000 0.0000 0.5954 ( 3820 PWs) bands (ev): 2.3826 2.3826 2.8951 2.8951 2.9958 2.9958 3.1867 3.1867 3.2167 3.2167 3.2900 3.2900 3.3244 3.3244 3.3595 3.3595 3.7606 3.7606 4.2177 4.2177 4.5151 4.5151 4.7968 4.7968 4.8494 4.8494 4.9467 4.9467 4.9728 4.9728 5.0529 5.0529 5.2028 5.2028 5.2645 5.2645 5.4040 5.4040 5.5064 5.5064 5.5907 5.5907 5.6920 5.6920 7.2938 7.2938 7.6960 7.6960 8.0487 8.0487 8.6764 8.6764 9.0323 9.0323 9.1088 9.1088 11.4711 11.4711 12.1716 12.1716 12.7130 12.7130 14.7508 14.7508 16.0075 16.0075 16.1000 16.1000 16.4158 16.4158 k = 0.0000 0.0000 0.5784 ( 3812 PWs) bands (ev): 2.3804 2.3804 2.8920 2.8920 2.9928 2.9928 3.1828 3.1828 3.2141 3.2141 3.2898 3.2898 3.3231 3.3231 3.3570 3.3570 3.7599 3.7599 4.2093 4.2093 4.4973 4.4973 4.7956 4.7956 4.8572 4.8572 4.9393 4.9393 4.9776 4.9776 5.0551 5.0551 5.2043 5.2043 5.2526 5.2526 5.4127 5.4127 5.4938 5.4938 5.5736 5.5736 5.7666 5.7666 7.3039 7.3039 7.6992 7.6992 8.0538 8.0538 8.6785 8.6785 9.0362 9.0362 9.1137 9.1137 11.4715 11.4715 12.1721 12.1721 12.7117 12.7117 14.7158 14.7158 15.9698 15.9698 16.1106 16.1106 16.4856 16.4856 k = 0.0000 0.0000 0.5613 ( 3808 PWs) bands (ev): 2.3767 2.3767 2.8867 2.8867 2.9877 2.9877 3.1760 3.1760 3.2103 3.2103 3.2895 3.2895 3.3208 3.3208 3.3530 3.3530 3.7586 3.7586 4.1953 4.1953 4.4700 4.4700 4.7951 4.7951 4.8674 4.8674 4.9308 4.9308 4.9821 4.9821 5.0582 5.0582 5.2032 5.2032 5.2426 5.2426 5.4245 5.4245 5.4800 5.4800 5.5695 5.5695 5.8553 5.8553 7.3207 7.3207 7.7044 7.7044 8.0622 8.0622 8.6820 8.6820 9.0422 9.0422 9.1223 9.1223 11.4722 11.4722 12.1728 12.1728 12.7096 12.7096 14.6609 14.6609 15.9086 15.9086 16.1489 16.1489 16.5759 16.5759 k = 0.0000 0.0000 0.5443 ( 3804 PWs) bands (ev): 2.3715 2.3715 2.8794 2.8794 2.9809 2.9809 3.1658 3.1658 3.2060 3.2060 3.2888 3.2888 3.3178 3.3178 3.3478 3.3478 3.7565 3.7565 4.1759 4.1759 4.4357 4.4357 4.7960 4.7960 4.8785 4.8785 4.9224 4.9224 4.9856 4.9856 5.0617 5.0617 5.1939 5.1939 5.2445 5.2445 5.4369 5.4369 5.4707 5.4707 5.5717 5.5717 5.9549 5.9549 7.3440 7.3440 7.7118 7.7118 8.0738 8.0738 8.6869 8.6869 9.0499 9.0499 9.1350 9.1350 11.4731 11.4731 12.1738 12.1738 12.7066 12.7066 14.5901 14.5901 15.8399 15.8399 16.2042 16.2042 16.6775 16.6775 k = 0.0000 0.0000 0.5273 ( 3804 PWs) bands (ev): 2.3647 2.3647 2.8700 2.8700 2.9723 2.9723 3.1522 3.1522 3.2016 3.2016 3.2877 3.2877 3.3140 3.3140 3.3415 3.3415 3.7532 3.7532 4.1514 4.1514 4.3970 4.3970 4.7982 4.7982 4.8894 4.8894 4.9147 4.9147 4.9880 4.9880 5.0650 5.0650 5.1801 5.1801 5.2568 5.2568 5.4447 5.4447 5.4719 5.4719 5.5773 5.5773 6.0632 6.0632 7.3737 7.3737 7.7212 7.7212 8.0885 8.0885 8.6933 8.6933 9.0587 9.0587 9.1526 9.1526 11.4741 11.4741 12.1751 12.1751 12.7028 12.7028 14.5072 14.5072 15.7697 15.7697 16.2703 16.2703 16.7864 16.7864 k = 0.0000 0.0000 0.5103 ( 3800 PWs) bands (ev): 2.3562 2.3562 2.8585 2.8585 2.9621 2.9621 3.1355 3.1355 3.1973 3.1973 3.2860 3.2860 3.3096 3.3096 3.3344 3.3344 3.7484 3.7484 4.1221 4.1221 4.3562 4.3562 4.8018 4.8018 4.8996 4.8996 4.9081 4.9081 4.9893 4.9893 5.0682 5.0682 5.1671 5.1671 5.2750 5.2750 5.4458 5.4458 5.4850 5.4850 5.5850 5.5850 6.1785 6.1785 7.4096 7.4096 7.7328 7.7328 8.1062 8.1062 8.7011 8.7011 9.0682 9.0682 9.1755 9.1755 11.4753 11.4753 12.1766 12.1766 12.6980 12.6980 14.4156 14.4156 15.7001 15.7001 16.3437 16.3437 16.9004 16.9004 k = 0.0000 0.0000 0.4933 ( 3808 PWs) bands (ev): 2.3458 2.3458 2.8449 2.8449 2.9507 2.9507 3.1161 3.1161 3.1932 3.1932 3.2832 3.2832 3.3048 3.3048 3.3267 3.3267 3.7418 3.7418 4.0891 4.0891 4.3149 4.3149 4.8064 4.8064 4.9027 4.9027 4.9090 4.9090 4.9896 4.9896 5.0713 5.0713 5.1566 5.1566 5.2970 5.2970 5.4466 5.4466 5.5030 5.5030 5.5945 5.5945 6.2991 6.2991 7.4514 7.4514 7.7465 7.7465 8.1268 8.1268 8.7104 8.7104 9.0782 9.0782 9.2038 9.2038 11.4765 11.4765 12.1784 12.1784 12.6924 12.6924 14.3177 14.3177 15.6316 15.6316 16.4221 16.4221 17.0177 17.0177 k = 0.0000 0.0000 0.4763 ( 3806 PWs) bands (ev): 2.3336 2.3336 2.8294 2.8294 2.9383 2.9383 3.0947 3.0947 3.1892 3.1892 3.2794 3.2794 3.2997 3.2997 3.3186 3.3186 3.7330 3.7330 4.0533 4.0533 4.2742 4.2742 4.8121 4.8121 4.8985 4.8985 4.9174 4.9174 4.9889 4.9889 5.0741 5.0741 5.1490 5.1490 5.3212 5.3212 5.4502 5.4502 5.5227 5.5227 5.6055 5.6055 6.4239 6.4239 7.4990 7.4990 7.7622 7.7622 8.1501 8.1501 8.7211 8.7211 9.0889 9.0889 9.2376 9.2376 11.4776 11.4776 12.1804 12.1804 12.6858 12.6858 14.2158 14.2158 15.5645 15.5645 16.5034 16.5034 17.1343 17.1343 k = 0.0000 0.0000 0.4593 ( 3806 PWs) bands (ev): 2.3192 2.3192 2.8120 2.8120 2.9250 2.9250 3.0718 3.0718 3.1853 3.1853 3.2743 3.2743 3.2943 3.2943 3.3105 3.3105 3.7218 3.7218 4.0164 4.0164 4.2347 4.2347 4.8186 4.8186 4.8955 4.8955 4.9249 4.9249 4.9874 4.9874 5.0767 5.0767 5.1443 5.1443 5.3466 5.3466 5.4576 5.4576 5.5430 5.5430 5.6182 5.6182 6.5515 6.5515 7.5521 7.5521 7.7801 7.7801 8.1761 8.1761 8.7333 8.7333 9.1001 9.1001 9.2768 9.2768 11.4786 11.4786 12.1825 12.1825 12.6784 12.6784 14.1115 14.1115 15.4987 15.4987 16.5856 16.5856 17.0476 17.0476 k = 0.0000 0.0000 0.4423 ( 3801 PWs) bands (ev): 2.3026 2.3026 2.7932 2.7932 2.9112 2.9112 3.0478 3.0478 3.1813 3.1813 3.2679 3.2679 3.2884 3.2884 3.3025 3.3025 3.7077 3.7077 3.9797 3.9797 4.1964 4.1964 4.8258 4.8258 4.8934 4.8934 4.9316 4.9316 4.9852 4.9852 5.0789 5.0789 5.1423 5.1423 5.3723 5.3723 5.4692 5.4692 5.5631 5.5631 5.6327 5.6327 6.6806 6.6806 7.6103 7.6103 7.8001 7.8001 8.2051 8.2051 8.7470 8.7470 9.1122 9.1122 9.3214 9.3214 11.4794 11.4794 12.1848 12.1848 12.6700 12.6700 14.0060 14.0060 15.4340 15.4340 16.6636 16.6636 16.8539 16.8539 k = 0.0000 0.0000 0.4253 ( 3811 PWs) bands (ev): 2.2838 2.2838 2.7732 2.7732 2.8970 2.8970 3.0231 3.0231 3.1772 3.1772 3.2604 3.2604 3.2817 3.2817 3.2949 3.2949 3.6907 3.6907 3.9446 3.9446 4.1593 4.1593 4.8336 4.8336 4.8919 4.8919 4.9373 4.9373 4.9826 4.9826 5.0807 5.0807 5.1423 5.1423 5.3978 5.3978 5.4851 5.4851 5.5825 5.5825 5.6492 5.6492 6.8100 6.8100 7.6733 7.6733 7.8222 7.8222 8.2373 8.2373 8.7622 8.7622 9.1252 9.1252 9.3711 9.3711 11.4797 11.4797 12.1871 12.1871 12.6607 12.6607 13.9004 13.9004 15.3701 15.3701 16.6569 16.6569 16.7073 16.7073 k = 0.0000 0.0000 0.4082 ( 3811 PWs) bands (ev): 2.2626 2.2626 2.7524 2.7524 2.8825 2.8825 2.9982 2.9982 3.1730 3.1730 3.2521 3.2521 3.2742 3.2742 3.2878 3.2878 3.6705 3.6705 3.9123 3.9123 4.1235 4.1235 4.8419 4.8419 4.8908 4.8908 4.9422 4.9422 4.9799 4.9799 5.0824 5.0824 5.1437 5.1437 5.4231 5.4231 5.5048 5.5048 5.6010 5.6010 5.6679 5.6679 6.9383 6.9383 7.7404 7.7404 7.8464 7.8464 8.2733 8.2733 8.7791 8.7791 9.1393 9.1393 9.4258 9.4258 11.4795 11.4795 12.1893 12.1893 12.6507 12.6507 13.7958 13.7958 15.3068 15.3068 16.4594 16.4594 16.6046 16.6046 k = 0.0000 0.0000 0.3912 ( 3811 PWs) bands (ev): 2.2391 2.2391 2.7312 2.7312 2.8678 2.8678 2.9733 2.9733 3.1686 3.1686 3.2431 3.2431 3.2660 3.2660 3.2810 3.2810 3.6474 3.6474 3.8834 3.8834 4.0888 4.0888 4.8504 4.8504 4.8898 4.8898 4.9461 4.9461 4.9775 4.9775 5.0843 5.0843 5.1457 5.1457 5.4486 5.4486 5.5272 5.5272 5.6187 5.6187 5.6886 5.6886 7.0642 7.0642 7.8102 7.8102 7.8731 7.8731 8.3142 8.3142 8.7975 8.7975 9.1547 9.1547 9.4854 9.4854 11.4787 11.4787 12.1912 12.1912 12.6399 12.6399 13.6928 13.6928 15.2438 15.2438 16.2627 16.2627 16.4303 16.4303 k = 0.0000 0.0000 0.3742 ( 3811 PWs) bands (ev): 2.2133 2.2133 2.7101 2.7101 2.8532 2.8532 2.9486 2.9486 3.1639 3.1639 3.2336 3.2336 3.2576 3.2576 3.2742 3.2742 3.6218 3.6218 3.8579 3.8579 4.0553 4.0553 4.8590 4.8590 4.8889 4.8889 4.9489 4.9489 4.9758 4.9758 5.0866 5.0866 5.1480 5.1480 5.4750 5.4750 5.5509 5.5509 5.6361 5.6361 5.7108 5.7108 7.1863 7.1863 7.8787 7.8787 7.9047 7.9047 8.3614 8.3614 8.8177 8.8177 9.1718 9.1718 9.5497 9.5497 11.4770 11.4770 12.1926 12.1926 12.6285 12.6285 13.5923 13.5923 15.1806 15.1806 16.0680 16.0680 16.2480 16.2480 k = 0.0000 0.0000 0.3572 ( 3811 PWs) bands (ev): 2.1855 2.1855 2.6894 2.6894 2.8385 2.8385 2.9243 2.9243 3.1590 3.1590 3.2237 3.2237 3.2490 3.2490 3.2673 3.2673 3.5944 3.5944 3.8358 3.8358 4.0229 4.0229 4.8674 4.8674 4.8881 4.8881 4.9506 4.9506 4.9749 4.9749 5.0894 5.0894 5.1501 5.1501 5.5027 5.5027 5.5744 5.5744 5.6539 5.6539 5.7340 5.7340 7.3035 7.3035 7.9245 7.9245 7.9603 7.9603 8.4167 8.4167 8.8396 8.8396 9.1910 9.1910 9.6183 9.6183 11.4742 11.4742 12.1933 12.1933 12.6168 12.6168 13.4950 13.4950 15.1167 15.1167 15.8760 15.8760 16.0660 16.0660 k = 0.0000 0.0000 0.3402 ( 3811 PWs) bands (ev): 2.1557 2.1557 2.6692 2.6692 2.8239 2.8239 2.9007 2.9007 3.1539 3.1539 3.2135 3.2135 3.2406 3.2406 3.2600 3.2600 3.5659 3.5659 3.8166 3.8166 3.9918 3.9918 4.8744 4.8744 4.8881 4.8881 4.9514 4.9514 4.9751 4.9751 5.0928 5.0928 5.1519 5.1519 5.5318 5.5318 5.5966 5.5966 5.6728 5.6728 5.7579 5.7579 7.4148 7.4148 7.9576 7.9576 8.0271 8.0271 8.4821 8.4821 8.8634 8.8634 9.2130 9.2130 9.6910 9.6910 11.4703 11.4703 12.1928 12.1928 12.6050 12.6050 13.4016 13.4016 15.0517 15.0517 15.6874 15.6874 15.8862 15.8862 k = 0.0000 0.0000 0.3232 ( 3811 PWs) bands (ev): 2.1245 2.1245 2.6499 2.6499 2.8095 2.8095 2.8777 2.8777 3.1485 3.1485 3.2031 3.2031 3.2323 3.2323 3.2525 3.2525 3.5371 3.5371 3.7998 3.7998 3.9620 3.9620 4.8776 4.8776 4.8916 4.8916 4.9517 4.9517 4.9760 4.9760 5.0967 5.0967 5.1534 5.1534 5.5621 5.5621 5.6164 5.6164 5.6933 5.6933 5.7819 5.7819 7.5196 7.5196 7.9907 7.9907 8.0894 8.0894 8.5583 8.5583 8.8895 8.8895 9.2388 9.2388 9.7676 9.7676 11.4650 11.4650 12.1907 12.1907 12.5937 12.5937 13.3127 13.3127 14.9848 14.9848 15.5025 15.5025 15.7096 15.7096 k = 0.0000 0.0000 0.3062 ( 3811 PWs) bands (ev): 2.0922 2.0922 2.6314 2.6314 2.7953 2.7953 2.8556 2.8556 3.1428 3.1428 3.1926 3.1926 3.2243 3.2243 3.2448 3.2448 3.5085 3.5085 3.7850 3.7850 3.9336 3.9336 4.8767 4.8767 4.8985 4.8985 4.9517 4.9517 4.9773 4.9773 5.1011 5.1011 5.1547 5.1547 5.5936 5.5936 5.6337 5.6337 5.7155 5.7155 5.8058 5.8058 7.6179 7.6179 8.0247 8.0247 8.1448 8.1448 8.6438 8.6438 8.9181 8.9181 9.2705 9.2705 9.8477 9.8477 11.4581 11.4581 12.1864 12.1864 12.5834 12.5834 13.2288 13.2288 14.9152 14.9152 15.3219 15.3219 15.5372 15.5372 k = 0.0000 0.0000 0.2892 ( 3807 PWs) bands (ev): 2.0591 2.0591 2.6139 2.6139 2.7815 2.7815 2.8344 2.8344 3.1369 3.1369 3.1822 3.1822 3.2166 3.2166 3.2369 3.2369 3.4806 3.4806 3.7719 3.7719 3.9065 3.9065 4.8741 4.8741 4.9063 4.9063 4.9519 4.9519 4.9788 4.9788 5.1058 5.1058 5.1558 5.1558 5.6256 5.6256 5.6487 5.6487 5.7387 5.7387 5.8293 5.8293 7.7098 7.7098 8.0596 8.0596 8.1928 8.1928 8.7337 8.7337 8.9501 8.9501 9.3110 9.3110 9.9310 9.9310 11.4495 11.4495 12.1793 12.1793 12.5748 12.5748 13.1507 13.1507 14.8416 14.8416 15.1458 15.1458 15.3698 15.3698 k = 0.0000 0.0000 0.2722 ( 3813 PWs) bands (ev): 2.0258 2.0258 2.5974 2.5974 2.7681 2.7681 2.8142 2.8142 3.1309 3.1309 3.1717 3.1717 3.2093 3.2093 3.2290 3.2290 3.4537 3.4537 3.7601 3.7601 3.8810 3.8810 4.8709 4.8709 4.9141 4.9141 4.9522 4.9522 4.9805 4.9805 5.1108 5.1108 5.1566 5.1566 5.6569 5.6569 5.6630 5.6630 5.7625 5.7625 5.8523 5.8523 7.7957 7.7957 8.0952 8.0952 8.2342 8.2342 8.8202 8.8202 8.9865 8.9865 9.3649 9.3649 10.0171 10.0171 11.4391 11.4391 12.1688 12.1688 12.5687 12.5687 13.0787 13.0787 14.7624 14.7624 14.9744 14.9744 15.2088 15.2088 k = 0.0000 0.0000 0.2552 ( 3809 PWs) bands (ev): 1.9925 1.9925 2.5817 2.5817 2.7551 2.7551 2.7950 2.7950 3.1248 3.1248 3.1614 3.1614 3.2024 3.2024 3.2211 3.2211 3.4281 3.4281 3.7496 3.7496 3.8569 3.8569 4.8674 4.8674 4.9215 4.9215 4.9527 4.9527 4.9823 4.9823 5.1160 5.1160 5.1574 5.1574 5.6725 5.6725 5.6916 5.6916 5.7861 5.7861 5.8746 5.8746 7.8760 7.8760 8.1311 8.1311 8.2704 8.2704 8.8946 8.8946 9.0277 9.0277 9.4377 9.4377 10.1055 10.1055 11.4267 11.4267 12.1546 12.1546 12.5657 12.5657 13.0133 13.0133 14.6755 14.6755 14.8081 14.8081 15.0561 15.0561 k = 0.0000 0.0000 0.2381 ( 3815 PWs) bands (ev): 1.9598 1.9598 2.5670 2.5670 2.7427 2.7427 2.7770 2.7770 3.1187 3.1187 3.1512 3.1512 3.1958 3.1958 3.2132 3.2132 3.4039 3.4039 3.7402 3.7402 3.8344 3.8344 4.8638 4.8638 4.9285 4.9285 4.9534 4.9534 4.9842 4.9842 5.1212 5.1212 5.1582 5.1582 5.6830 5.6830 5.7236 5.7236 5.8091 5.8091 5.8961 5.8961 7.9512 7.9512 8.1671 8.1671 8.3022 8.3022 8.9533 8.9533 9.0711 9.0711 9.5330 9.5330 10.1958 10.1958 11.4124 11.4124 12.1368 12.1368 12.5663 12.5663 12.9546 12.9546 14.5782 14.5782 14.6475 14.6475 14.9136 14.9136 k = 0.0000 0.0000 0.2211 ( 3819 PWs) bands (ev): 1.9279 1.9279 2.5532 2.5532 2.7309 2.7309 2.7600 2.7600 3.1126 3.1126 3.1413 3.1413 3.1897 3.1897 3.2056 3.2056 3.3812 3.3812 3.7317 3.7317 3.8135 3.8135 4.8602 4.8602 4.9348 4.9348 4.9543 4.9543 4.9862 4.9862 5.1264 5.1264 5.1589 5.1589 5.6924 5.6924 5.7551 5.7551 5.8312 5.8312 5.9167 5.9167 8.0215 8.0215 8.2028 8.2028 8.3306 8.3306 8.9999 8.9999 9.1114 9.1114 9.6499 9.6499 10.2875 10.2875 11.3960 11.3960 12.1155 12.1155 12.5710 12.5710 12.9029 12.9029 14.4666 14.4666 14.4950 14.4950 14.7827 14.7827 k = 0.0000 0.0000 0.2041 ( 3823 PWs) bands (ev): 1.8973 1.8973 2.5402 2.5402 2.7198 2.7198 2.7443 2.7443 3.1066 3.1066 3.1317 3.1317 3.1840 3.1840 3.1983 3.1983 3.3601 3.3601 3.7241 3.7241 3.7942 3.7942 4.8567 4.8567 4.9404 4.9404 4.9553 4.9553 4.9884 4.9884 5.1315 5.1315 5.1596 5.1596 5.7010 5.7010 5.7855 5.7855 5.8522 5.8522 5.9362 5.9362 8.0872 8.0872 8.2377 8.2377 8.3561 8.3561 9.0397 9.0397 9.1458 9.1458 9.7839 9.7839 10.3799 10.3799 11.3778 11.3778 12.0915 12.0915 12.5796 12.5796 12.8582 12.8582 14.3318 14.3318 14.3603 14.3603 14.6627 14.6627 k = 0.0000 0.0000 0.1871 ( 3815 PWs) bands (ev): 1.8682 1.8682 2.5281 2.5281 2.7095 2.7095 2.7298 2.7298 3.1008 3.1008 3.1224 3.1224 3.1788 3.1788 3.1913 3.1913 3.3407 3.3407 3.7173 3.7173 3.7765 3.7765 4.8533 4.8533 4.9452 4.9452 4.9563 4.9563 4.9908 4.9908 5.1364 5.1364 5.1603 5.1603 5.7088 5.7088 5.8146 5.8146 5.8718 5.8718 5.9546 5.9546 8.1484 8.1484 8.2715 8.2715 8.3793 8.3793 9.0758 9.0758 9.1743 9.1743 9.9295 9.9295 10.4724 10.4724 11.3580 11.3580 12.0659 12.0659 12.5920 12.5920 12.8206 12.8206 14.1883 14.1883 14.2320 14.2320 14.5505 14.5505 k = 0.0000 0.0000 0.1701 ( 3821 PWs) bands (ev): 1.8408 1.8408 2.5168 2.5168 2.6999 2.6999 2.7165 2.7165 3.0954 3.0954 3.1136 3.1136 3.1739 3.1739 3.1846 3.1846 3.3229 3.3229 3.7113 3.7113 3.7603 3.7603 4.8502 4.8502 4.9493 4.9493 4.9573 4.9573 4.9933 4.9933 5.1411 5.1411 5.1610 5.1610 5.7158 5.7158 5.8419 5.8419 5.8900 5.8900 5.9719 5.9719 8.2050 8.2050 8.3037 8.3037 8.4004 8.4004 9.1096 9.1096 9.1982 9.1982 10.0818 10.0818 10.5642 10.5642 11.3369 11.3369 12.0395 12.0395 12.6079 12.6079 12.7903 12.7903 14.0481 14.0481 14.1023 14.1023 14.4426 14.4426 k = 0.0000 0.0000 0.1531 ( 3833 PWs) bands (ev): 1.8154 1.8154 2.5065 2.5065 2.6911 2.6911 2.7044 2.7044 3.0902 3.0902 3.1053 3.1053 3.1695 3.1695 3.1785 3.1785 3.3069 3.3069 3.7059 3.7059 3.7458 3.7458 4.8473 4.8473 4.9526 4.9526 4.9584 4.9584 4.9960 4.9960 5.1455 5.1455 5.1617 5.1617 5.7222 5.7222 5.8673 5.8673 5.9067 5.9067 5.9880 5.9880 8.2570 8.2570 8.3340 8.3340 8.4196 8.4196 9.1414 9.1414 9.2186 9.2186 10.2370 10.2370 10.6543 10.6543 11.3151 11.3151 12.0134 12.0134 12.6269 12.6269 12.7675 12.7675 13.9125 13.9125 13.9731 13.9731 14.3362 14.3362 k = 0.0000 0.0000 0.1361 ( 3821 PWs) bands (ev): 1.7923 1.7923 2.4971 2.4971 2.6832 2.6832 2.6936 2.6936 3.0854 3.0854 3.0977 3.0977 3.1655 3.1655 3.1729 3.1729 3.2926 3.2926 3.7013 3.7013 3.7328 3.7328 4.8447 4.8447 4.9553 4.9553 4.9593 4.9593 4.9987 4.9987 5.1495 5.1495 5.1624 5.1624 5.7279 5.7279 5.8904 5.8904 5.9217 5.9217 6.0028 6.0028 8.3041 8.3041 8.3621 8.3621 8.4373 8.4373 9.1714 9.1714 9.2362 9.2362 10.3920 10.3920 10.7418 10.7418 11.2931 11.2931 11.9887 11.9887 12.6482 12.6482 12.7528 12.7528 13.7821 13.7821 13.8469 13.8469 14.2302 14.2302 k = 0.0000 0.0000 0.1191 ( 3821 PWs) bands (ev): 1.7715 1.7715 2.4887 2.4887 2.6761 2.6761 2.6841 2.6841 3.0811 3.0811 3.0907 3.0907 3.1620 3.1620 3.1678 3.1678 3.2800 3.2800 3.6972 3.6972 3.7214 3.7214 4.8423 4.8423 4.9575 4.9575 4.9602 4.9602 5.0014 5.0014 5.1531 5.1531 5.1630 5.1630 5.7329 5.7329 5.9111 5.9111 5.9350 5.9350 6.0163 6.0163 8.3458 8.3458 8.3876 8.3876 8.4536 8.4536 9.1992 9.1992 9.2514 9.2514 10.5433 10.5433 10.8252 10.8252 11.2717 11.2717 11.9660 11.9660 12.6710 12.6710 12.7472 12.7472 13.6575 13.6575 13.7252 13.7252 14.1247 14.1247 k = 0.0000 0.0000 0.1021 ( 3827 PWs) bands (ev): 1.7532 1.7532 2.4813 2.4813 2.6699 2.6699 2.6758 2.6758 3.0773 3.0773 3.0845 3.0845 3.1589 3.1589 3.1632 3.1632 3.2691 3.2691 3.6938 3.6938 3.7116 3.7116 4.8403 4.8403 4.9592 4.9592 4.9610 4.9610 5.0039 5.0039 5.1563 5.1563 5.1636 5.1636 5.7373 5.7373 5.9291 5.9291 5.9466 5.9466 6.0284 6.0284 8.3818 8.3818 8.4101 8.4101 8.4689 8.4689 9.2245 9.2245 9.2645 9.2645 10.6877 10.6877 10.9032 10.9032 11.2518 11.2518 11.9463 11.9463 12.6941 12.6941 12.7519 12.7519 13.5398 13.5398 13.6088 13.6088 14.0211 14.0211 k = 0.0000 0.0000 0.0851 ( 3827 PWs) bands (ev): 1.7375 1.7375 2.4750 2.4750 2.6647 2.6647 2.6687 2.6687 3.0740 3.0740 3.0791 3.0791 3.1562 3.1562 3.1593 3.1593 3.2600 3.2600 3.6909 3.6909 3.7033 3.7033 4.8386 4.8386 4.9605 4.9605 4.9616 4.9616 5.0062 5.0062 5.1591 5.1591 5.1642 5.1642 5.7410 5.7410 5.9444 5.9444 5.9565 5.9565 6.0389 6.0389 8.4115 8.4115 8.4294 8.4294 8.4834 8.4834 9.2468 9.2468 9.2755 9.2755 10.8210 10.8210 10.9739 10.9739 11.2343 11.2343 11.9300 11.9300 12.7174 12.7174 12.7668 12.7668 13.4307 13.4307 13.4984 13.4984 13.9220 13.9220 k = 0.0000 0.0000 0.0680 ( 3817 PWs) bands (ev): 1.7246 1.7246 2.4697 2.4697 2.6604 2.6604 2.6630 2.6630 3.0713 3.0713 3.0746 3.0746 3.1541 3.1541 3.1561 3.1561 3.2526 3.2526 3.6886 3.6886 3.6965 3.6965 4.8372 4.8372 4.9615 4.9615 4.9622 4.9622 5.0081 5.0081 5.1614 5.1614 5.1646 5.1646 5.7440 5.7440 5.9570 5.9570 5.9646 5.9646 6.0478 6.0478 8.4346 8.4346 8.4451 8.4451 8.4974 8.4974 9.2657 9.2657 9.2846 9.2846 10.9381 10.9381 11.0356 11.0356 11.2210 11.2210 11.9175 11.9175 12.7433 12.7433 12.7889 12.7889 13.3326 13.3326 13.3945 13.3945 13.8309 13.8309 k = 0.0000 0.0000 0.0510 ( 3811 PWs) bands (ev): 1.7144 1.7144 2.4656 2.4656 2.6571 2.6571 2.6585 2.6585 3.0692 3.0692 3.0710 3.0710 3.1524 3.1524 3.1536 3.1536 3.2468 3.2468 3.6868 3.6868 3.6912 3.6912 4.8361 4.8361 4.9622 4.9622 4.9626 4.9626 5.0097 5.0097 5.1632 5.1632 5.1650 5.1650 5.7464 5.7464 5.9666 5.9666 5.9709 5.9709 6.0550 6.0550 8.4515 8.4515 8.4571 8.4571 8.5102 8.5102 9.2809 9.2809 9.2918 9.2918 11.0324 11.0324 11.0859 11.0859 11.2145 11.2145 11.9091 11.9091 12.7744 12.7744 12.8136 12.8136 13.2487 13.2487 13.2988 13.2988 13.7523 13.7523 k = 0.0000 0.0000 0.0340 ( 3805 PWs) bands (ev): 1.7072 1.7072 2.4627 2.4627 2.6547 2.6547 2.6553 2.6553 3.0676 3.0676 3.0684 3.0684 3.1512 3.1512 3.1517 3.1517 3.2427 3.2427 3.6855 3.6855 3.6875 3.6875 4.8353 4.8353 4.9628 4.9628 4.9629 4.9629 5.0108 5.0108 5.1645 5.1645 5.1653 5.1653 5.7481 5.7481 5.9735 5.9735 5.9754 5.9754 6.0602 6.0602 8.4629 8.4629 8.4653 8.4653 8.5206 8.5206 9.2920 9.2920 9.2969 9.2969 11.0968 11.0968 11.1210 11.1210 11.2196 11.2196 11.9044 11.9044 12.8101 12.8101 12.8365 12.8365 13.1829 13.1829 13.2146 13.2146 13.6909 13.6909 k = 0.0000 0.0000 0.0170 ( 3805 PWs) bands (ev): 1.7028 1.7028 2.4609 2.4609 2.6532 2.6532 2.6534 2.6534 3.0667 3.0667 3.0669 3.0669 3.1504 3.1504 3.1506 3.1506 3.2402 3.2402 3.6848 3.6848 3.6853 3.6853 4.8349 4.8349 4.9630 4.9630 4.9631 4.9631 5.0115 5.0115 5.1652 5.1652 5.1655 5.1655 5.7491 5.7491 5.9777 5.9777 5.9782 5.9782 6.0634 6.0634 8.4695 8.4695 8.4701 8.4701 8.5274 8.5274 9.2988 9.2988 9.3000 9.3000 11.1309 11.1309 11.1374 11.1374 11.2345 11.2345 11.9023 11.9023 12.8440 12.8440 12.8533 12.8533 13.1400 13.1400 13.1508 13.1508 13.6516 13.6516 k = 0.0000 0.0000 0.0000 ( 3805 PWs) bands (ev): 1.7013 1.7013 2.4603 2.4603 2.6527 2.6527 2.6528 2.6528 3.0663 3.0663 3.0664 3.0664 3.1501 3.1501 3.1503 3.1503 3.2394 3.2394 3.6845 3.6845 3.6846 3.6846 4.8347 4.8347 4.9631 4.9631 4.9632 4.9632 5.0118 5.0118 5.1655 5.1655 5.1656 5.1656 5.7494 5.7494 5.9790 5.9790 5.9791 5.9791 6.0645 6.0645 8.4716 8.4716 8.4717 8.4717 8.5297 8.5297 9.3011 9.3011 9.3011 9.3011 11.1412 11.1412 11.1413 11.1413 11.2425 11.2425 11.9018 11.9018 12.8596 12.8596 12.8597 12.8597 13.1249 13.1249 13.1250 13.1250 13.6380 13.6380 k = 0.0000 0.0000 0.0000 ( 3805 PWs) bands (ev): 1.7013 1.7013 2.4603 2.4603 2.6527 2.6527 2.6528 2.6528 3.0663 3.0663 3.0664 3.0664 3.1501 3.1501 3.1503 3.1503 3.2394 3.2394 3.6845 3.6845 3.6846 3.6846 4.8347 4.8347 4.9631 4.9631 4.9632 4.9632 5.0118 5.0118 5.1655 5.1655 5.1656 5.1656 5.7494 5.7494 5.9790 5.9790 5.9791 5.9791 6.0645 6.0645 8.4716 8.4716 8.4717 8.4717 8.5297 8.5297 9.3011 9.3011 9.3011 9.3011 11.1412 11.1412 11.1413 11.1413 11.2425 11.2425 11.9018 11.9018 12.8596 12.8596 12.8597 12.8597 13.1249 13.1249 13.1250 13.1250 13.6380 13.6380 k = 0.0057 0.0080 0.0139 ( 3805 PWs) bands (ev): 1.7028 1.7028 2.4609 2.4609 2.6533 2.6533 2.6534 2.6534 3.0667 3.0667 3.0668 3.0668 3.1504 3.1504 3.1506 3.1506 3.2402 3.2402 3.6847 3.6847 3.6853 3.6853 4.8349 4.8349 4.9630 4.9630 4.9631 4.9631 5.0115 5.0115 5.1653 5.1653 5.1654 5.1654 5.7491 5.7491 5.9778 5.9778 5.9780 5.9780 6.0634 6.0634 8.4696 8.4696 8.4699 8.4699 8.5273 8.5273 9.2987 9.2987 9.3001 9.3001 11.1297 11.1297 11.1383 11.1383 11.2346 11.2346 11.9023 11.9023 12.8433 12.8433 12.8538 12.8538 13.1409 13.1409 13.1501 13.1501 13.6516 13.6516 k = 0.0114 0.0161 0.0278 ( 3805 PWs) bands (ev): 1.7072 1.7072 2.4627 2.4627 2.6548 2.6548 2.6552 2.6552 3.0680 3.0680 3.0681 3.0681 3.1514 3.1514 3.1515 3.1515 3.2427 3.2427 3.6854 3.6854 3.6877 3.6877 4.8353 4.8353 4.9627 4.9627 4.9629 4.9629 5.0108 5.0108 5.1646 5.1646 5.1652 5.1652 5.7480 5.7480 5.9742 5.9742 5.9747 5.9747 6.0602 6.0602 8.4634 8.4634 8.4647 8.4647 8.5205 8.5205 9.2917 9.2917 9.2973 9.2973 11.0879 11.0879 11.1295 11.1295 11.2197 11.2197 11.9045 11.9045 12.8079 12.8079 12.8383 12.8383 13.1866 13.1866 13.2122 13.2122 13.6902 13.6902 k = 0.0170 0.0241 0.0418 ( 3814 PWs) bands (ev): 1.7145 1.7145 2.4657 2.4657 2.6574 2.6574 2.6582 2.6582 3.0700 3.0700 3.0702 3.0702 3.1528 3.1528 3.1531 3.1531 3.2468 3.2468 3.6865 3.6865 3.6916 3.6916 4.8361 4.8361 4.9622 4.9622 4.9627 4.9627 5.0097 5.0097 5.1635 5.1635 5.1647 5.1647 5.7464 5.7464 5.9682 5.9682 5.9694 5.9694 6.0548 6.0548 8.4525 8.4525 8.4560 8.4560 8.5100 8.5100 9.2801 9.2801 9.2925 9.2925 11.0092 11.0092 11.1145 11.1145 11.2081 11.2081 11.9097 11.9097 12.7709 12.7709 12.8179 12.8179 13.2567 13.2567 13.2937 13.2937 13.7489 13.7489 k = 0.0227 0.0321 0.0557 ( 3820 PWs) bands (ev): 1.7247 1.7247 2.4698 2.4698 2.6611 2.6611 2.6625 2.6625 3.0729 3.0729 3.0731 3.0731 3.1549 3.1549 3.1553 3.1553 3.2525 3.2525 3.6881 3.6881 3.6971 3.6971 4.8372 4.8372 4.9615 4.9615 4.9623 4.9623 5.0080 5.0080 5.1619 5.1619 5.1641 5.1641 5.7440 5.7440 5.9599 5.9599 5.9619 5.9619 6.0474 6.0474 8.4360 8.4360 8.4437 8.4437 8.4967 8.4967 9.2644 9.2644 9.2859 9.2859 10.8998 10.8998 11.0930 11.0930 11.1984 11.1984 11.9197 11.9197 12.7410 12.7410 12.7977 12.7977 13.3446 13.3446 13.3860 13.3860 13.8219 13.8219 k = 0.0284 0.0402 0.0696 ( 3820 PWs) bands (ev): 1.7376 1.7376 2.4751 2.4751 2.6657 2.6657 2.6679 2.6679 3.0765 3.0765 3.0768 3.0768 3.1575 3.1575 3.1582 3.1582 3.2599 3.2599 3.6901 3.6901 3.7042 3.7042 4.8386 4.8386 4.9606 4.9606 4.9618 4.9618 5.0060 5.0060 5.1599 5.1599 5.1633 5.1633 5.7409 5.7409 5.9492 5.9492 5.9524 5.9524 6.0380 6.0380 8.4133 8.4133 8.4278 8.4278 8.4819 8.4819 9.2450 9.2450 9.2774 9.2774 10.7682 10.7682 11.0649 11.0649 11.1862 11.1862 11.9363 11.9363 12.7219 12.7219 12.7820 12.7820 13.4441 13.4441 13.4851 13.4851 13.9040 13.9040 k = 0.0341 0.0482 0.0835 ( 3826 PWs) bands (ev): 1.7533 1.7533 2.4815 2.4815 2.6714 2.6714 2.6747 2.6747 3.0809 3.0809 3.0813 3.0813 3.1606 3.1606 3.1616 3.1616 3.2689 3.2689 3.6926 3.6926 3.7128 3.7128 4.8403 4.8403 4.9594 4.9594 4.9612 4.9612 5.0035 5.0035 5.1575 5.1575 5.1623 5.1623 5.7372 5.7372 5.9363 5.9363 5.9410 5.9410 6.0266 6.0266 8.3843 8.3843 8.4082 8.4082 8.4660 8.4660 9.2222 9.2222 9.2671 9.2671 10.6210 10.6210 11.0301 11.0301 11.1686 11.1686 11.9612 11.9612 12.7155 12.7155 12.7737 12.7737 13.5503 13.5503 13.5886 13.5886 13.9912 13.9912 k = 0.0398 0.0562 0.0974 ( 3820 PWs) bands (ev): 1.7717 1.7717 2.4889 2.4889 2.6780 2.6780 2.6827 2.6827 3.0861 3.0861 3.0865 3.0865 3.1643 3.1643 3.1656 3.1656 3.2795 3.2795 3.6956 3.6956 3.7230 3.7230 4.8424 4.8424 4.9580 4.9580 4.9605 4.9605 5.0005 5.0005 5.1547 5.1547 5.1611 5.1611 5.7328 5.7328 5.9211 5.9211 5.9276 5.9276 6.0133 6.0133 8.3494 8.3494 8.3848 8.3848 8.4491 8.4491 9.1967 9.1967 9.2548 9.2548 10.4630 10.4630 10.9890 10.9890 11.1438 11.1438 11.9954 11.9954 12.7224 12.7224 12.7745 12.7745 13.6595 13.6595 13.6951 13.6951 14.0804 14.0804 k = 0.0455 0.0643 0.1113 ( 3808 PWs) bands (ev): 1.7925 1.7925 2.4974 2.4974 2.6855 2.6855 2.6920 2.6920 3.0920 3.0920 3.0924 3.0924 3.1684 3.1684 3.1702 3.1702 3.2918 3.2918 3.6992 3.6992 3.7348 3.7348 4.8447 4.8447 4.9564 4.9564 4.9598 4.9598 4.9972 4.9972 5.1516 5.1516 5.1598 5.1598 5.7277 5.7277 5.9038 5.9038 5.9124 5.9124 5.9983 5.9983 8.3091 8.3091 8.3575 8.3575 8.4311 8.4311 9.1690 9.1690 9.2405 9.2405 10.2978 10.2978 10.9422 10.9422 11.1114 11.1114 12.0396 12.0396 12.7425 12.7425 12.7851 12.7851 13.7685 13.7685 13.8036 13.8036 14.1698 14.1698 k = 0.0511 0.0723 0.1253 ( 3808 PWs) bands (ev): 1.8157 1.8157 2.5069 2.5069 2.6939 2.6939 2.7026 2.7026 3.0986 3.0986 3.0989 3.0989 3.1729 3.1729 3.1752 3.1752 3.3056 3.3056 3.7034 3.7034 3.7482 3.7482 4.8474 4.8474 4.9546 4.9546 4.9590 4.9590 4.9935 4.9935 5.1481 5.1481 5.1584 5.1584 5.7219 5.7219 5.8845 5.8845 5.8955 5.8955 5.9816 5.9816 8.2642 8.2642 8.3263 8.3263 8.4120 8.4120 9.1397 9.1397 9.2237 9.2237 10.1284 10.1284 10.8906 10.8906 11.0716 11.0716 12.0938 12.0938 12.7751 12.7751 12.8055 12.8055 13.8750 13.8750 13.9133 13.9133 14.2582 14.2582 k = 0.0568 0.0804 0.1392 ( 3808 PWs) bands (ev): 1.8411 1.8411 2.5172 2.5172 2.7032 2.7032 2.7146 2.7146 3.1059 3.1059 3.1060 3.1060 3.1779 3.1779 3.1808 3.1808 3.3211 3.3211 3.7082 3.7082 3.7630 3.7630 4.8503 4.8503 4.9524 4.9524 4.9582 4.9582 4.9895 4.9895 5.1443 5.1443 5.1567 5.1567 5.7155 5.7155 5.8632 5.8632 5.8770 5.8770 5.9633 5.9633 8.2152 8.2152 8.2909 8.2909 8.3916 8.3916 9.1092 9.1092 9.2038 9.2038 9.9577 9.9577 10.8353 10.8353 11.0253 11.0253 12.1577 12.1577 12.8193 12.8193 12.8354 12.8354 13.9767 13.9767 14.0233 14.0233 14.3456 14.3456 k = 0.0625 0.0884 0.1531 ( 3787 PWs) bands (ev): 1.8686 1.8686 2.5285 2.5285 2.7134 2.7134 2.7280 2.7280 3.1136 3.1136 3.1139 3.1139 3.1832 3.1832 3.1868 3.1868 3.3381 3.3381 3.7136 3.7136 3.7794 3.7794 4.8535 4.8535 4.9500 4.9500 4.9573 4.9573 4.9851 4.9851 5.1403 5.1403 5.1550 5.1550 5.7083 5.7083 5.8400 5.8400 5.8571 5.8571 5.9437 5.9437 8.1626 8.1626 8.2515 8.2515 8.3700 8.3700 9.0781 9.0781 9.1793 9.1793 9.7887 9.7887 10.7771 10.7771 10.9739 10.9739 12.2304 12.2304 12.8743 12.8743 12.8744 12.8744 14.0719 14.0719 14.1332 14.1332 14.4326 14.4326 k = 0.0682 0.0964 0.1670 ( 3805 PWs) bands (ev): 1.8979 1.8979 2.5405 2.5405 2.7243 2.7243 2.7428 2.7428 3.1216 3.1216 3.1225 3.1225 3.1888 3.1888 3.1932 3.1932 3.3567 3.3567 3.7197 3.7197 3.7972 3.7972 4.8570 4.8570 4.9473 4.9473 4.9564 4.9564 4.9805 4.9805 5.1361 5.1361 5.1531 5.1531 5.7004 5.7004 5.8150 5.8150 5.8359 5.8359 5.9228 5.9228 8.1067 8.1067 8.2079 8.2079 8.3473 8.3473 9.0468 9.0468 9.1468 9.1468 9.6262 9.6262 10.7171 10.7171 10.9185 10.9185 12.3112 12.3112 12.9216 12.9216 12.9389 12.9389 14.1587 14.1587 14.2426 14.2426 14.5203 14.5203 k = 0.0739 0.1045 0.1809 ( 3796 PWs) bands (ev): 1.9289 1.9289 2.5533 2.5533 2.7360 2.7360 2.7590 2.7590 3.1301 3.1301 3.1317 3.1317 3.1946 3.1946 3.2000 3.2000 3.3768 3.3768 3.7266 3.7266 3.8165 3.8165 4.8607 4.8607 4.9443 4.9443 4.9555 4.9555 4.9757 4.9757 5.1317 5.1317 5.1511 5.1511 5.6917 5.6917 5.7884 5.7884 5.8134 5.8134 5.9008 5.9008 8.0479 8.0479 8.1603 8.1603 8.3235 8.3235 9.0157 9.0157 9.0992 9.0992 9.4785 9.4785 10.6562 10.6562 10.8604 10.8604 12.3992 12.3992 12.9766 12.9766 13.0121 13.0121 14.2361 14.2361 14.3510 14.3510 14.6095 14.6095 k = 0.0795 0.1125 0.1948 ( 3808 PWs) bands (ev): 1.9613 1.9613 2.5667 2.5667 2.7483 2.7483 2.7766 2.7766 3.1388 3.1388 3.1414 3.1414 3.2007 3.2007 3.2072 3.2072 3.3985 3.3985 3.7342 3.7342 3.8372 3.8372 4.8646 4.8646 4.9409 4.9409 4.9546 4.9546 4.9708 4.9708 5.1273 5.1273 5.1490 5.1490 5.6822 5.6822 5.7602 5.7602 5.7900 5.7900 5.8778 5.8778 7.9866 7.9866 8.1088 8.1088 8.2987 8.2987 8.9852 8.9852 9.0237 9.0237 9.3597 9.3597 10.5951 10.5951 10.8007 10.8007 12.4936 12.4936 13.0386 13.0386 13.0932 13.0932 14.3040 14.3040 14.4582 14.4582 14.7008 14.7008 k = 0.0852 0.1205 0.2088 ( 3808 PWs) bands (ev): 1.9950 1.9950 2.5807 2.5807 2.7613 2.7613 2.7957 2.7957 3.1478 3.1478 3.1515 3.1515 3.2069 3.2069 3.2146 3.2146 3.4216 3.4216 3.7427 3.7427 3.8592 3.8592 4.8687 4.8687 4.9372 4.9372 4.9538 4.9538 4.9658 4.9658 5.1228 5.1228 5.1467 5.1467 5.6718 5.6718 5.7307 5.7307 5.7658 5.7658 5.8541 5.8541 7.9230 7.9230 8.0534 8.0534 8.2729 8.2729 8.9120 8.9120 8.9555 8.9555 9.2792 9.2792 10.5343 10.5343 10.7401 10.7401 12.5939 12.5939 13.1073 13.1073 13.1813 13.1813 14.3630 14.3630 14.5640 14.5640 14.7939 14.7939 k = 0.0909 0.1286 0.2227 ( 3808 PWs) bands (ev): 2.0296 2.0296 2.5952 2.5952 2.7749 2.7749 2.8161 2.8161 3.1570 3.1570 3.1621 3.1621 3.2133 3.2133 3.2223 3.2223 3.4461 3.4461 3.7521 3.7521 3.8825 3.8825 4.8729 4.8729 4.9330 4.9330 4.9530 4.9530 4.9609 4.9609 5.1183 5.1183 5.1444 5.1444 5.6603 5.6603 5.7000 5.7000 5.7410 5.7410 5.8298 5.8298 7.8573 7.8573 7.9944 7.9944 8.2457 8.2457 8.7739 8.7739 8.9268 8.9268 9.2285 9.2285 10.4745 10.4745 10.6794 10.6794 12.6994 12.6994 13.1821 13.1821 13.2757 13.2757 14.4143 14.4143 14.6683 14.6683 14.8883 14.8883 k = 0.0966 0.1366 0.2366 ( 3820 PWs) bands (ev): 2.0651 2.0651 2.6102 2.6102 2.7890 2.7890 2.8379 2.8379 3.1662 3.1662 3.1730 3.1730 3.2197 3.2197 3.2303 3.2303 3.4720 3.4720 3.7623 3.7623 3.9071 3.9071 4.8770 4.8770 4.9285 4.9285 4.9524 4.9524 4.9561 4.9561 5.1140 5.1140 5.1420 5.1420 5.6475 5.6475 5.6682 5.6682 5.7159 5.7159 5.8052 5.8052 7.7897 7.7897 7.9320 7.9320 8.2161 8.2161 8.6255 8.6255 8.8992 8.8992 9.1938 9.1938 10.4158 10.4158 10.6190 10.6190 12.8097 12.8097 13.2626 13.2626 13.3758 13.3758 14.4591 14.4591 14.7709 14.7709 14.9832 14.9832 k = 0.1023 0.1446 0.2505 ( 3814 PWs) bands (ev): 2.1010 2.1010 2.6256 2.6256 2.8035 2.8035 2.8610 2.8610 3.1755 3.1755 3.1843 3.1843 3.2261 3.2261 3.2385 3.2385 3.4991 3.4991 3.7735 3.7735 3.9328 3.9328 4.8810 4.8810 4.9235 4.9235 4.9516 4.9516 4.9518 4.9518 5.1098 5.1098 5.1395 5.1395 5.6331 5.6331 5.6355 5.6355 5.6910 5.6910 5.7803 5.7803 7.7205 7.7205 7.8666 7.8666 8.1812 8.1812 8.4786 8.4786 8.8728 8.8728 9.1671 9.1671 10.3586 10.3586 10.5594 10.5594 12.9242 12.9242 13.3483 13.3483 13.4811 13.4811 14.4988 14.4988 14.8719 14.8719 15.0781 15.0781 k = 0.1080 0.1527 0.2644 ( 3823 PWs) bands (ev): 2.1373 2.1373 2.6414 2.6414 2.8184 2.8184 2.8852 2.8852 3.1847 3.1847 3.1957 3.1957 3.2325 3.2325 3.2469 3.2469 3.5274 3.5274 3.7856 3.7856 3.9596 3.9596 4.8847 4.8847 4.9181 4.9181 4.9477 4.9477 4.9513 4.9513 5.1059 5.1059 5.1370 5.1370 5.6021 5.6021 5.6165 5.6165 5.6668 5.6668 5.7556 5.7556 7.6499 7.6499 7.7985 7.7985 8.1315 8.1315 8.3473 8.3473 8.8477 8.8477 9.1448 9.1448 10.3031 10.3031 10.5008 10.5008 13.0426 13.0426 13.4390 13.4390 13.5911 13.5911 14.5346 14.5346 14.9712 14.9712 15.1724 15.1724 k = 0.1136 0.1607 0.2784 ( 3811 PWs) bands (ev): 2.1736 2.1736 2.6574 2.6574 2.8336 2.8336 2.9104 2.9104 3.1937 3.1937 3.2073 3.2073 3.2389 3.2389 3.2553 3.2553 3.5568 3.5568 3.7988 3.7988 3.9875 3.9875 4.8876 4.8876 4.9127 4.9127 4.9442 4.9442 4.9510 4.9510 5.1023 5.1023 5.1344 5.1344 5.5682 5.5682 5.5972 5.5972 5.6437 5.6437 5.7313 5.7313 7.5778 7.5778 7.7279 7.7279 8.0476 8.0476 8.2538 8.2538 8.8238 8.8238 9.1254 9.1254 10.2493 10.2493 10.4433 10.4433 13.1645 13.1645 13.5344 13.5344 13.7055 13.7055 14.5674 14.5674 15.0691 15.0691 15.2658 15.2658 k = 0.1193 0.1687 0.2923 ( 3817 PWs) bands (ev): 2.2099 2.2099 2.6738 2.6738 2.8490 2.8490 2.9364 2.9364 3.2025 3.2025 3.2188 3.2188 3.2453 3.2453 3.2639 3.2639 3.5869 3.5869 3.8130 3.8130 4.0166 4.0166 4.8888 4.8888 4.9079 4.9079 4.9415 4.9415 4.9508 4.9508 5.0991 5.0991 5.1317 5.1317 5.5339 5.5339 5.5751 5.5751 5.6218 5.6218 5.7076 5.7076 7.5044 7.5044 7.6553 7.6553 7.9278 7.9278 8.2016 8.2016 8.8013 8.8013 9.1081 9.1081 10.1974 10.1974 10.3872 10.3872 13.2896 13.2896 13.6340 13.6340 13.8239 13.8239 14.5981 14.5981 15.1655 15.1655 15.3582 15.3582 k = 0.1250 0.1768 0.3062 ( 3811 PWs) bands (ev): 2.2458 2.2458 2.6903 2.6903 2.8646 2.8646 2.9630 2.9630 3.2109 3.2109 3.2302 3.2302 3.2518 3.2518 3.2725 3.2725 3.6177 3.6177 3.8282 3.8282 4.0468 4.0468 4.8869 4.8869 4.9053 4.9053 4.9395 4.9395 4.9508 4.9508 5.0964 5.0964 5.1291 5.1291 5.4995 5.4995 5.5504 5.5504 5.6008 5.6008 5.6848 5.6848 7.4298 7.4298 7.5809 7.5809 7.7942 7.7942 8.1703 8.1703 8.7799 8.7799 9.0926 9.0926 10.1473 10.1473 10.3325 10.3325 13.4176 13.4176 13.7376 13.7376 13.9459 13.9459 14.6275 14.6275 15.2606 15.2606 15.4495 15.4495 k = 0.1307 0.1848 0.3201 ( 3817 PWs) bands (ev): 2.2813 2.2813 2.7071 2.7071 2.8802 2.8802 2.9900 2.9900 3.2190 3.2190 3.2411 3.2411 3.2586 3.2586 3.2811 3.2811 3.6490 3.6490 3.8444 3.8444 4.0781 4.0781 4.8815 4.8815 4.9051 4.9051 4.9381 4.9381 4.9508 4.9508 5.0943 5.0943 5.1264 5.1264 5.4653 5.4653 5.5239 5.5239 5.5799 5.5799 5.6632 5.6632 7.3536 7.3536 7.5052 7.5052 7.6597 7.6597 8.1483 8.1483 8.7598 8.7598 9.0786 9.0786 10.0990 10.0990 10.2792 10.2792 13.5482 13.5482 13.8448 13.8448 14.0714 14.0714 14.6561 14.6561 15.3546 15.3546 15.5396 15.5396 k = 0.1364 0.1928 0.3340 ( 3817 PWs) bands (ev): 2.3163 2.3163 2.7240 2.7240 2.8958 2.8958 3.0169 3.0169 3.2265 3.2265 3.2510 3.2510 3.2661 3.2661 3.2896 3.2896 3.6803 3.6803 3.8617 3.8617 4.1105 4.1105 4.8738 4.8738 4.9060 4.9060 4.9374 4.9374 4.9510 4.9510 5.0929 5.0929 5.1237 5.1237 5.4314 5.4314 5.4961 5.4961 5.5586 5.5586 5.6430 5.6430 7.2758 7.2758 7.4285 7.4285 7.5296 7.5296 8.1319 8.1319 8.7408 8.7408 9.0662 9.0662 10.0526 10.0526 10.2272 10.2272 13.6813 13.6813 13.9553 13.9553 14.2001 14.2001 14.6846 14.6846 15.4478 15.4478 15.6288 15.6288 k = 0.1420 0.2009 0.3479 ( 3817 PWs) bands (ev): 2.3505 2.3505 2.7410 2.7410 2.9114 2.9114 3.0435 3.0435 3.2335 3.2335 3.2594 3.2594 3.2747 3.2747 3.2980 3.2980 3.7116 3.7116 3.8799 3.8799 4.1441 4.1441 4.8650 4.8650 4.9072 4.9072 4.9369 4.9369 4.9512 4.9512 5.0924 5.0924 5.1210 5.1210 5.3983 5.3983 5.4676 5.4676 5.5365 5.5365 5.6241 5.6241 7.1958 7.1958 7.3510 7.3510 7.4067 7.4067 8.1200 8.1200 8.7229 8.7229 9.0554 9.0554 10.0078 10.0078 10.1765 10.1765 13.8164 13.8164 14.0686 14.0686 14.3317 14.3317 14.7138 14.7138 15.5403 15.5403 15.7170 15.7170 k = 0.1477 0.2089 0.3619 ( 3823 PWs) bands (ev): 2.3840 2.3840 2.7580 2.7580 2.9267 2.9267 3.0694 3.0694 3.2398 3.2398 3.2664 3.2664 3.2844 3.2844 3.3062 3.3062 3.7426 3.7426 3.8991 3.8991 4.1789 4.1789 4.8555 4.8555 4.9083 4.9083 4.9364 4.9364 4.9512 4.9512 5.0929 5.0929 5.1183 5.1183 5.3661 5.3661 5.4386 5.4386 5.5139 5.5139 5.6066 5.6066 7.1130 7.1130 7.2732 7.2732 7.2929 7.2929 8.1122 8.1122 8.7060 8.7060 9.0462 9.0462 9.9647 9.9647 10.1271 10.1271 13.9534 13.9534 14.1840 14.1840 14.4661 14.4661 14.7444 14.7444 15.6324 15.6324 15.8044 15.8044 k = 0.1534 0.2170 0.3758 ( 3820 PWs) bands (ev): 2.4166 2.4166 2.7752 2.7752 2.9418 2.9418 3.0943 3.0943 3.2454 3.2454 3.2723 3.2723 3.2945 3.2945 3.3142 3.3142 3.7731 3.7731 3.9193 3.9193 4.2146 4.2146 4.8453 4.8453 4.9089 4.9089 4.9357 4.9357 4.9511 4.9511 5.0946 5.0946 5.1155 5.1155 5.3354 5.3354 5.4095 5.4095 5.4908 5.4908 5.5903 5.5903 7.0274 7.0274 7.1894 7.1894 7.1952 7.1952 8.1084 8.1084 8.6901 8.6901 9.0387 9.0387 9.9232 9.9232 10.0788 10.0788 14.0920 14.0920 14.3004 14.3004 14.6030 14.6030 14.7775 14.7775 15.7244 15.7244 15.8913 15.8913 k = 0.1591 0.2250 0.3897 ( 3811 PWs) bands (ev): 2.4484 2.4484 2.7923 2.7923 2.9565 2.9565 3.1176 3.1176 3.2502 3.2502 3.2776 3.2776 3.3047 3.3047 3.3218 3.3218 3.8030 3.8030 3.9404 3.9404 4.2511 4.2511 4.8347 4.8347 4.9081 4.9081 4.9350 4.9350 4.9504 4.9504 5.0976 5.0976 5.1128 5.1128 5.3065 5.3065 5.3808 5.3808 5.4676 5.4676 5.5754 5.5754 6.9399 6.9399 7.0959 7.0959 7.1174 7.1174 8.1088 8.1088 8.6750 8.6750 9.0330 9.0330 9.8831 9.8831 10.0316 10.0316 14.2319 14.2319 14.4160 14.4160 14.7422 14.7422 14.8151 14.8151 15.8164 15.8164 15.9776 15.9776 k = 0.1648 0.2330 0.4036 ( 3799 PWs) bands (ev): 2.4792 2.4792 2.8093 2.8093 2.9707 2.9707 3.1390 3.1390 3.2543 3.2543 3.2825 3.2825 3.3146 3.3146 3.3290 3.3290 3.8322 3.8322 3.9623 3.9623 4.2881 4.2881 4.8238 4.8238 4.9045 4.9045 4.9348 4.9348 4.9490 4.9490 5.1022 5.1022 5.1101 5.1101 5.2799 5.2799 5.3531 5.3531 5.4444 5.4444 5.5621 5.5621 6.8526 6.8526 7.0108 7.0108 7.0401 7.0401 8.1134 8.1134 8.6607 8.6607 9.0292 9.0292 9.8446 9.8446 9.9855 9.9855 14.3728 14.3728 14.5279 14.5279 14.8602 14.8602 14.8837 14.8837 15.9087 15.9087 16.0635 16.0635 k = 0.1705 0.2411 0.4175 ( 3811 PWs) bands (ev): 2.5091 2.5091 2.8263 2.8263 2.9843 2.9843 3.1577 3.1577 3.2580 3.2580 3.2872 3.2872 3.3241 3.3241 3.3358 3.3358 3.8607 3.8607 3.9850 3.9850 4.3249 4.3249 4.8126 4.8126 4.8964 4.8964 4.9360 4.9360 4.9464 4.9464 5.1077 5.1077 5.1082 5.1082 5.2560 5.2560 5.3273 5.3273 5.4216 5.4216 5.5508 5.5508 6.7681 6.7681 6.9321 6.9321 6.9635 6.9635 8.1222 8.1222 8.6471 8.6471 9.0276 9.0276 9.8073 9.8073 9.9403 9.9403 14.5142 14.5142 14.6307 14.6307 14.9180 14.9180 15.0269 15.0269 16.0015 16.0015 16.1490 16.1490 k = 0.1761 0.2491 0.4314 ( 3817 PWs) bands (ev): 2.5380 2.5380 2.8431 2.8431 2.9974 2.9974 3.1731 3.1731 3.2615 3.2615 3.2916 3.2916 3.3330 3.3330 3.3422 3.3422 3.8887 3.8887 4.0084 4.0084 4.3609 4.3609 4.8013 4.8013 4.8828 4.8828 4.9383 4.9383 4.9421 4.9421 5.1056 5.1056 5.1154 5.1154 5.2355 5.2355 5.3045 5.3045 5.3993 5.3993 5.5421 5.5421 6.6880 6.6880 6.8581 6.8581 6.8878 6.8878 8.1352 8.1352 8.6341 8.6341 9.0282 9.0282 9.7714 9.7714 9.8959 9.8959 14.6547 14.6547 14.7189 14.7189 14.9950 14.9950 15.1719 15.1719 16.0952 16.0952 16.2341 16.2341 k = 0.1818 0.2571 0.4454 ( 3823 PWs) bands (ev): 2.5659 2.5659 2.8597 2.8597 3.0096 3.0096 3.1842 3.1842 3.2655 3.2655 3.2959 3.2959 3.3414 3.3414 3.3481 3.3481 3.9162 3.9162 4.0324 4.0324 4.3955 4.3955 4.7899 4.7899 4.8635 4.8635 4.9358 4.9358 4.9413 4.9413 5.1043 5.1043 5.1233 5.1233 5.2184 5.2184 5.2860 5.2860 5.3780 5.3780 5.5372 5.5372 6.6135 6.6135 6.7880 6.7880 6.8132 6.8132 8.1522 8.1522 8.6215 8.6215 9.0312 9.0312 9.7366 9.7366 9.8524 9.8524 14.7750 14.7750 14.8090 14.8090 15.0932 15.0932 15.3183 15.3183 16.1899 16.1899 16.3184 16.3184 k = 0.1875 0.2652 0.4593 ( 3817 PWs) bands (ev): 2.5928 2.5928 2.8761 2.8761 3.0211 3.0211 3.1900 3.1900 3.2708 3.2708 3.3001 3.3001 3.3490 3.3490 3.3535 3.3535 3.9435 3.9435 4.0571 4.0571 4.4278 4.4278 4.7780 4.7780 4.8386 4.8386 4.9271 4.9271 4.9445 4.9445 5.1042 5.1042 5.1307 5.1307 5.2049 5.2049 5.2723 5.2723 5.3579 5.3579 5.5374 5.5374 6.5450 6.5450 6.7210 6.7210 6.7401 6.7401 8.1730 8.1730 8.6093 8.6093 9.0370 9.0370 9.7031 9.7031 9.8095 9.8095 14.8358 14.8358 14.9441 14.9441 15.2080 15.2080 15.4659 15.4659 16.2858 16.2858 16.4016 16.4016 k = 0.1932 0.2732 0.4732 ( 3823 PWs) bands (ev): 2.6186 2.6186 2.8922 2.8922 3.0316 3.0316 3.1904 3.1904 3.2775 3.2775 3.3042 3.3042 3.3559 3.3559 3.3585 3.3585 3.9706 3.9706 4.0822 4.0822 4.4572 4.4572 4.7643 4.7643 4.8104 4.8104 4.9160 4.9160 4.9476 4.9476 5.1056 5.1056 5.1365 5.1365 5.1948 5.1948 5.2632 5.2632 5.3395 5.3395 5.5447 5.5447 6.4824 6.4824 6.6569 6.6569 6.6686 6.6686 8.1971 8.1971 8.5974 8.5974 9.0459 9.0459 9.6707 9.6707 9.7673 9.7673 14.8829 14.8829 15.0835 15.0835 15.3330 15.3330 15.6142 15.6142 16.3832 16.3832 16.4826 16.4826 k = 0.1989 0.2812 0.4871 ( 3817 PWs) bands (ev): 2.6432 2.6432 2.9078 2.9078 3.0413 3.0413 3.1858 3.1858 3.2852 3.2852 3.3081 3.3081 3.3620 3.3620 3.3630 3.3630 3.9975 3.9975 4.1078 4.1078 4.4829 4.4829 4.7436 4.7436 4.7849 4.7849 4.9028 4.9028 4.9506 4.9506 5.1089 5.1089 5.1404 5.1404 5.1876 5.1876 5.2567 5.2567 5.3233 5.3233 5.5612 5.5612 6.4256 6.4256 6.5957 6.5957 6.5989 6.5989 8.2240 8.2240 8.5855 8.5855 9.0581 9.0581 9.6393 9.6393 9.7257 9.7257 14.9252 14.9252 15.2211 15.2211 15.4638 15.4638 15.7628 15.7628 16.4823 16.4823 16.5598 16.5598 k = 0.2045 0.2893 0.5010 ( 3805 PWs) bands (ev): 2.6666 2.6666 2.9230 2.9230 3.0499 3.0499 3.1772 3.1772 3.2931 3.2931 3.3119 3.3119 3.3670 3.3670 3.3673 3.3673 4.0243 4.0243 4.1336 4.1336 4.5042 4.5042 4.7105 4.7105 4.7694 4.7694 4.8879 4.8879 4.9533 4.9533 5.1141 5.1141 5.1426 5.1426 5.1829 5.1829 5.2502 5.2502 5.3098 5.3098 5.5884 5.5884 6.3743 6.3743 6.5314 6.5314 6.5373 6.5373 8.2530 8.2530 8.5738 8.5738 9.0741 9.0741 9.6090 9.6090 9.6847 9.6847 14.9649 14.9649 15.3552 15.3552 15.5977 15.5977 15.9113 15.9113 16.5831 16.5831 16.6307 16.6307 k = 0.2102 0.2973 0.5149 ( 3805 PWs) bands (ev): 2.6887 2.6887 2.9376 2.9376 3.0575 3.0575 3.1653 3.1653 3.3008 3.3008 3.3156 3.3156 3.3706 3.3706 3.3717 3.3717 4.0509 4.0509 4.1597 4.1597 4.5199 4.5199 4.6706 4.6706 4.7608 4.7608 4.8721 4.8721 4.9557 4.9557 5.1211 5.1211 5.1437 5.1437 5.1803 5.1803 5.2418 5.2418 5.2984 5.2984 5.6269 5.6269 6.3280 6.3280 6.4661 6.4661 6.4818 6.4818 8.2835 8.2835 8.5619 8.5619 9.0943 9.0943 9.5797 9.5797 9.6442 9.6442 15.0031 15.0031 15.4836 15.4836 15.7328 15.7328 16.0588 16.0588 16.6856 16.6856 16.6922 16.6922 k = 0.2159 0.3053 0.5289 ( 3811 PWs) bands (ev): 2.7091 2.7091 2.9514 2.9514 3.0640 3.0640 3.1512 3.1512 3.3078 3.3078 3.3190 3.3190 3.3737 3.3737 3.3753 3.3753 4.0771 4.0771 4.1859 4.1859 4.5271 4.5271 4.6314 4.6314 4.7560 4.7560 4.8559 4.8559 4.9579 4.9579 5.1297 5.1297 5.1442 5.1442 5.1793 5.1793 5.2318 5.2318 5.2883 5.2883 5.6763 5.6763 6.2863 6.2863 6.4033 6.4033 6.4293 6.4293 8.3144 8.3144 8.5497 8.5497 9.1191 9.1191 9.5513 9.5513 9.6042 9.6042 15.0400 15.0400 15.6034 15.6034 15.8682 15.8682 16.2045 16.2045 16.7427 16.7427 16.7896 16.7896 k = 0.2216 0.3134 0.5428 ( 3823 PWs) bands (ev): 2.7278 2.7278 2.9642 2.9642 3.0695 3.0695 3.1357 3.1357 3.3141 3.3141 3.3222 3.3222 3.3762 3.3762 3.3780 3.3780 4.1027 4.1027 4.2120 4.2120 4.5183 4.5183 4.6031 4.6031 4.7538 4.7538 4.8398 4.8398 4.9598 4.9598 5.1397 5.1397 5.1444 5.1444 5.1796 5.1796 5.2212 5.2212 5.2781 5.2781 5.7350 5.7350 6.2490 6.2490 6.3433 6.3433 6.3799 6.3799 8.3449 8.3449 8.5373 8.5373 9.1490 9.1490 9.5239 9.5239 9.5647 9.5647 15.0754 15.0754 15.7111 15.7111 16.0028 16.0028 16.3471 16.3471 16.7836 16.7836 16.8941 16.8941 k = 0.2273 0.3214 0.5567 ( 3820 PWs) bands (ev): 2.7444 2.7444 2.9758 2.9758 3.0739 3.0739 3.1198 3.1198 3.3193 3.3193 3.3250 3.3250 3.3783 3.3783 3.3800 3.3800 4.1271 4.1271 4.2381 4.2381 4.4886 4.4886 4.5923 4.5923 4.7542 4.7542 4.8244 4.8244 4.9614 4.9614 5.1444 5.1444 5.1508 5.1508 5.1813 5.1813 5.2109 5.2109 5.2672 5.2672 5.8016 5.8016 6.2158 6.2158 6.2864 6.2864 6.3339 6.3339 8.3742 8.3742 8.5243 8.5243 9.1842 9.1842 9.4973 9.4973 9.5257 9.5257 15.1084 15.1084 15.8030 15.8030 16.1355 16.1355 16.4847 16.4847 16.8174 16.8174 16.9970 16.9970 k = 0.2330 0.3294 0.5706 ( 3820 PWs) bands (ev): 2.7584 2.7584 2.9855 2.9855 3.0773 3.0773 3.1049 3.1049 3.3236 3.3236 3.3273 3.3273 3.3798 3.3798 3.3814 3.3814 4.1499 4.1499 4.2638 4.2638 4.4482 4.4482 4.5908 4.5908 4.7567 4.7567 4.8100 4.8100 4.9628 4.9628 5.1443 5.1443 5.1622 5.1622 5.1845 5.1845 5.2018 5.2018 5.2554 5.2554 5.8744 5.8744 6.1865 6.1865 6.2328 6.2328 6.2914 6.2914 8.4014 8.4014 8.5108 8.5108 9.2248 9.2248 9.4716 9.4716 9.4874 9.4874 15.1380 15.1380 15.8761 15.8761 16.2640 16.2640 16.6144 16.6144 16.8419 16.8419 17.0932 17.0932 k = 0.2386 0.3375 0.5845 ( 3820 PWs) bands (ev): 2.7692 2.7692 2.9928 2.9928 3.0797 3.0797 3.0926 3.0926 3.3269 3.3269 3.3291 3.3291 3.3810 3.3810 3.3821 3.3821 4.1700 4.1700 4.2892 4.2892 4.4063 4.4063 4.5915 4.5915 4.7613 4.7613 4.7969 4.7969 4.9638 4.9638 5.1440 5.1440 5.1724 5.1724 5.1904 5.1904 5.1941 5.1941 5.2427 5.2427 5.9514 5.9514 6.1611 6.1611 6.1827 6.1827 6.2531 6.2531 8.4260 8.4260 8.4966 8.4966 9.2708 9.2708 9.4468 9.4468 9.4500 9.4500 15.1624 15.1624 15.9286 15.9286 16.3823 16.3823 16.7306 16.7306 16.8496 16.8496 17.1600 17.1600 k = 0.2443 0.3455 0.5985 ( 3820 PWs) bands (ev): 2.7761 2.7761 2.9970 2.9970 3.0812 3.0812 3.0846 3.0846 3.3290 3.3290 3.3300 3.3300 3.3817 3.3817 3.3823 3.3823 4.1852 4.1852 4.3139 4.3139 4.3677 4.3677 4.5922 4.5922 4.7676 4.7676 4.7854 4.7854 4.9644 4.9644 5.1437 5.1437 5.1793 5.1793 5.1882 5.1882 5.2008 5.2008 5.2290 5.2290 6.0295 6.0295 6.1366 6.1366 6.1400 6.1400 6.2206 6.2206 8.4475 8.4475 8.4816 8.4816 9.3206 9.3206 9.4147 9.4147 9.4226 9.4226 15.1793 15.1793 15.9604 15.9604 16.4750 16.4750 16.8202 16.8202 16.8425 16.8425 17.1778 17.1778 k = 0.2500 0.3536 0.6124 ( 3832 PWs) bands (ev): 2.7786 2.7786 2.9981 2.9981 3.0818 3.0818 3.0820 3.0820 3.3299 3.3299 3.3302 3.3302 3.3820 3.3820 3.3823 3.3823 4.1916 4.1916 4.3377 4.3377 4.3379 4.3379 4.5924 4.5924 4.7755 4.7755 4.7757 4.7757 4.9646 4.9646 5.1436 5.1436 5.1837 5.1837 5.1839 5.1839 5.2144 5.2144 5.2146 5.2146 6.0947 6.0947 6.0948 6.0948 6.1275 6.1275 6.2027 6.2027 8.4656 8.4656 8.4657 8.4657 9.3564 9.3564 9.3992 9.3992 9.3992 9.3992 15.1857 15.1857 15.9713 15.9713 16.5117 16.5117 16.8485 16.8485 16.8485 16.8485 17.1946 17.1947 k = 0.2500 0.3536 0.6124 ( 3832 PWs) bands (ev): 2.7786 2.7786 2.9981 2.9981 3.0818 3.0818 3.0820 3.0820 3.3299 3.3299 3.3302 3.3302 3.3820 3.3820 3.3823 3.3823 4.1916 4.1916 4.3377 4.3377 4.3379 4.3379 4.5924 4.5924 4.7755 4.7755 4.7757 4.7757 4.9646 4.9646 5.1436 5.1436 5.1837 5.1837 5.1839 5.1839 5.2144 5.2144 5.2146 5.2146 6.0947 6.0947 6.0948 6.0948 6.1275 6.1275 6.2027 6.2027 8.4656 8.4656 8.4657 8.4657 9.3564 9.3564 9.3992 9.3992 9.3992 9.3992 15.1857 15.1857 15.9713 15.9713 16.5117 16.5117 16.8485 16.8485 16.8485 16.8485 17.1946 17.1947 k = 0.2557 0.3375 0.6124 ( 3814 PWs) bands (ev): 2.7761 2.7761 2.9976 2.9976 3.0816 3.0816 3.0838 3.0838 3.3292 3.3292 3.3298 3.3298 3.3818 3.3818 3.3822 3.3822 4.1837 4.1837 4.3225 4.3225 4.3607 4.3607 4.5922 4.5922 4.7679 4.7679 4.7850 4.7850 4.9644 4.9644 5.1437 5.1437 5.1806 5.1806 5.1871 5.1871 5.1997 5.1997 5.2298 5.2298 6.0573 6.0573 6.0990 6.0990 6.1311 6.1311 6.2391 6.2391 8.4488 8.4488 8.4803 8.4803 9.3323 9.3323 9.3764 9.3764 9.4490 9.4490 15.1780 15.1780 15.9592 15.9592 16.4823 16.4823 16.7715 16.7715 16.8726 16.8726 17.1989 17.1989 k = 0.2614 0.3214 0.6124 ( 3802 PWs) bands (ev): 2.7687 2.7687 2.9973 2.9973 3.0807 3.0807 3.0888 3.0888 3.3271 3.3271 3.3285 3.3285 3.3813 3.3813 3.3822 3.3822 4.1613 4.1613 4.3223 4.3223 4.3825 4.3825 4.5914 4.5914 4.7622 4.7622 4.7959 4.7959 4.9641 4.9641 5.1434 5.1434 5.1783 5.1783 5.1855 5.1855 5.1897 5.1897 5.2462 5.2462 6.0249 6.0249 6.0864 6.0864 6.1177 6.1177 6.3180 6.3180 8.4309 8.4309 8.4914 8.4914 9.2983 9.2983 9.3541 9.3541 9.5137 9.5137 15.1516 15.1516 15.9191 15.9191 16.4250 16.4250 16.6156 16.6156 16.8569 16.8569 17.2230 17.2230 k = 0.2670 0.3053 0.6124 ( 3802 PWs) bands (ev): 2.7571 2.7571 2.9983 2.9983 3.0790 3.0790 3.0955 3.0955 3.3238 3.3238 3.3261 3.3261 3.3806 3.3806 3.3819 3.3819 4.1305 4.1305 4.3313 4.3313 4.4029 4.4029 4.5900 4.5900 4.7587 4.7587 4.8077 4.8077 4.9639 4.9639 5.1404 5.1404 5.1710 5.1710 5.1802 5.1802 5.1918 5.1918 5.2632 5.2632 5.9976 5.9976 6.0721 6.0721 6.1054 6.1054 6.4055 6.4055 8.4119 8.4119 8.4989 8.4989 9.2639 9.2639 9.3324 9.3324 9.5832 9.5832 15.1025 15.1025 15.8463 15.8463 16.3742 16.3742 16.4269 16.4269 16.7818 16.7818 17.2384 17.2384 k = 0.2727 0.2893 0.6124 ( 3802 PWs) bands (ev): 2.7422 2.7422 3.0007 3.0007 3.0768 3.0768 3.1031 3.1031 3.3195 3.3195 3.3226 3.3226 3.3797 3.3797 3.3814 3.3814 4.0966 4.0966 4.3445 4.3445 4.4217 4.4217 4.5882 4.5882 4.7573 4.7573 4.8200 4.8200 4.9644 4.9644 5.1309 5.1309 5.1643 5.1643 5.1821 5.1821 5.1934 5.1934 5.2806 5.2806 5.9756 5.9756 6.0567 6.0567 6.0993 6.0993 6.4951 6.4951 8.3918 8.3918 8.5031 8.5031 9.2301 9.2301 9.3110 9.3110 9.6562 9.6562 15.0272 15.0272 15.7430 15.7430 16.2254 16.2254 16.3418 16.3418 16.6808 16.6808 17.2374 17.2374 k = 0.2784 0.2732 0.6124 ( 3805 PWs) bands (ev): 2.7253 2.7253 3.0041 3.0041 3.0740 3.0740 3.1112 3.1112 3.3141 3.3141 3.3181 3.3181 3.3787 3.3787 3.3807 3.3807 4.0622 4.0622 4.3595 4.3595 4.4389 4.4389 4.5858 4.5858 4.7579 4.7579 4.8321 4.8321 4.9663 4.9663 5.1154 5.1154 5.1617 5.1617 5.1871 5.1871 5.1945 5.1945 5.2983 5.2983 5.9593 5.9593 6.0417 6.0417 6.0989 6.0989 6.5849 6.5849 8.3706 8.3706 8.5039 8.5039 9.1971 9.1971 9.2898 9.2898 9.7318 9.7318 14.9245 14.9245 15.6176 15.6176 16.0189 16.0189 16.3239 16.3239 16.5809 16.5809 17.2234 17.2234 k = 0.2841 0.2571 0.6124 ( 3799 PWs) bands (ev): 2.7074 2.7074 3.0080 3.0080 3.0706 3.0706 3.1194 3.1194 3.3078 3.3078 3.3126 3.3126 3.3775 3.3775 3.3797 3.3797 4.0283 4.0283 4.3755 4.3755 4.4544 4.4544 4.5830 4.5830 4.7603 4.7603 4.8428 4.8428 4.9704 4.9704 5.0972 5.0972 5.1604 5.1604 5.1949 5.1949 5.1954 5.1954 5.3163 5.3163 5.9485 5.9485 6.0285 6.0285 6.1031 6.1031 6.6740 6.6740 8.3482 8.3482 8.5015 8.5015 9.1651 9.1651 9.2689 9.2689 9.8095 9.8095 14.7961 14.7961 15.4774 15.4774 15.8111 15.8111 16.3091 16.3091 16.4988 16.4988 17.2013 17.2013 k = 0.2898 0.2411 0.6124 ( 3793 PWs) bands (ev): 2.6894 2.6894 3.0120 3.0120 3.0668 3.0668 3.1277 3.1277 3.3006 3.3006 3.3064 3.3064 3.3760 3.3760 3.3784 3.3784 3.9956 3.9956 4.3922 4.3922 4.4682 4.4682 4.5798 4.5798 4.7643 4.7643 4.8511 4.8511 4.9773 4.9773 5.0782 5.0782 5.1596 5.1596 5.1962 5.1962 5.2051 5.2051 5.3345 5.3345 5.9432 5.9432 6.0175 6.0175 6.1113 6.1113 6.7616 6.7616 8.3246 8.3246 8.4958 8.4958 9.1342 9.1342 9.2480 9.2480 9.8887 9.8887 14.6458 14.6458 15.3270 15.3270 15.6035 15.6035 16.2826 16.2826 16.4487 16.4487 17.1749 17.1749 k = 0.2955 0.2250 0.6124 ( 3793 PWs) bands (ev): 2.6720 2.6720 3.0158 3.0158 3.0627 3.0627 3.1359 3.1359 3.2926 3.2926 3.2995 3.2995 3.3742 3.3742 3.3767 3.3767 3.9642 3.9642 4.4095 4.4095 4.4805 4.4805 4.5764 4.5764 4.7693 4.7693 4.8561 4.8561 4.9868 4.9868 5.0595 5.0595 5.1592 5.1592 5.1975 5.1975 5.2173 5.2173 5.3528 5.3528 5.9434 5.9434 6.0089 6.0089 6.1231 6.1231 6.8471 6.8471 8.3000 8.3000 8.4871 8.4871 9.1046 9.1046 9.2270 9.2270 9.9691 9.9691 14.4786 14.4786 15.1685 15.1685 15.3973 15.3973 16.2393 16.2393 16.4328 16.4328 17.1467 17.1467 k = 0.3011 0.2089 0.6124 ( 3811 PWs) bands (ev): 2.6557 2.6557 3.0191 3.0191 3.0582 3.0582 3.1439 3.1439 3.2841 3.2841 3.2920 3.2920 3.3720 3.3720 3.3746 3.3746 3.9343 3.9343 4.4274 4.4274 4.4915 4.4915 4.5728 4.5728 4.7748 4.7748 4.8579 4.8579 4.9959 4.9959 5.0443 5.0443 5.1599 5.1599 5.1996 5.1996 5.2310 5.2310 5.3713 5.3713 5.9486 5.9486 6.0028 6.0028 6.1383 6.1383 6.9298 6.9298 8.2742 8.2742 8.4753 8.4753 9.0762 9.0762 9.2058 9.2058 10.0501 10.0501 14.2996 14.2996 15.0039 15.0039 15.1931 15.1931 16.1904 16.1904 16.4366 16.4366 17.1182 17.1182 k = 0.3068 0.1928 0.6124 ( 3799 PWs) bands (ev): 2.6410 2.6410 3.0218 3.0218 3.0534 3.0534 3.1516 3.1516 3.2750 3.2750 3.2840 3.2840 3.3694 3.3694 3.3721 3.3721 3.9059 3.9059 4.4459 4.4459 4.5014 4.5014 4.5692 4.5692 4.7803 4.7803 4.8569 4.8569 4.9954 4.9954 5.0406 5.0406 5.1622 5.1622 5.2030 5.2030 5.2461 5.2461 5.3900 5.3900 5.9586 5.9586 5.9990 5.9990 6.1567 6.1567 7.0092 7.0092 8.2473 8.2473 8.4606 8.4606 9.0491 9.0491 9.1844 9.1844 10.1313 10.1313 14.1129 14.1129 14.8350 14.8350 14.9913 14.9913 16.1440 16.1440 16.4487 16.4487 17.0905 17.0905 k = 0.3125 0.1768 0.6124 ( 3808 PWs) bands (ev): 2.6282 2.6282 3.0237 3.0237 3.0483 3.0483 3.1591 3.1591 3.2655 3.2655 3.2757 3.2757 3.3664 3.3664 3.3692 3.3692 3.8791 3.8791 4.4652 4.4652 4.5104 4.5104 4.5657 4.5657 4.7853 4.7853 4.8536 4.8536 4.9819 4.9819 5.0504 5.0504 5.1670 5.1670 5.2082 5.2082 5.2623 5.2623 5.4088 5.4088 5.9731 5.9731 5.9975 5.9975 6.1779 6.1779 7.0848 7.0848 8.2195 8.2195 8.4431 8.4431 9.0232 9.0232 9.1625 9.1625 10.2120 10.2120 13.9220 13.9220 14.6632 14.6632 14.7923 14.7923 16.1022 16.1022 16.4645 16.4645 17.0641 17.0641 k = 0.3182 0.1607 0.6124 ( 3796 PWs) bands (ev): 2.6176 2.6176 3.0250 3.0250 3.0431 3.0431 3.1660 3.1660 3.2556 3.2556 3.2672 3.2672 3.3631 3.3631 3.3659 3.3659 3.8539 3.8539 4.4851 4.4851 4.5188 4.5188 4.5626 4.5626 4.7894 4.7894 4.8486 4.8486 4.9640 4.9640 5.0638 5.0638 5.1755 5.1755 5.2155 5.2155 5.2797 5.2797 5.4277 5.4277 5.9915 5.9915 5.9981 5.9981 6.2019 6.2019 7.1560 7.1560 8.1906 8.1906 8.4229 8.4229 8.9986 8.9986 9.1401 9.1401 10.2916 10.2916 13.7299 13.7299 14.4900 14.4900 14.5963 14.5963 16.0651 16.0651 16.4822 16.4822 17.0395 17.0395 k = 0.3239 0.1446 0.6124 ( 3802 PWs) bands (ev): 2.6092 2.6092 3.0255 3.0255 3.0377 3.0377 3.1724 3.1724 3.2454 3.2454 3.2586 3.2586 3.3593 3.3593 3.3621 3.3621 3.8304 3.8304 4.5057 4.5057 4.5267 4.5267 4.5598 4.5598 4.7924 4.7924 4.8422 4.8422 4.9453 4.9453 5.0760 5.0760 5.1885 5.1885 5.2251 5.2251 5.2982 5.2982 5.4468 5.4468 6.0007 6.0007 6.0136 6.0136 6.2284 6.2284 7.2223 7.2223 8.1609 8.1609 8.4004 8.4004 8.9750 8.9750 9.1171 9.1171 10.3691 10.3691 13.5391 13.5391 14.3167 14.3167 14.4035 14.4035 16.0321 16.0321 16.5012 16.5012 17.0170 17.0170 k = 0.3295 0.1286 0.6124 ( 3802 PWs) bands (ev): 2.6033 2.6033 3.0255 3.0255 3.0322 3.0322 3.1778 3.1778 3.2350 3.2350 3.2503 3.2503 3.3551 3.3551 3.3579 3.3579 3.8086 3.8086 4.5269 4.5269 4.5343 4.5343 4.5575 4.5575 4.7942 4.7942 4.8346 4.8346 4.9270 4.9270 5.0858 5.0858 5.2059 5.2059 5.2372 5.2372 5.3178 5.3178 5.4661 5.4661 6.0051 6.0051 6.0390 6.0390 6.2573 6.2573 7.2833 7.2833 8.1303 8.1303 8.3757 8.3757 8.9523 8.9523 9.0934 9.0934 10.4431 10.4431 13.3523 13.3523 14.1443 14.1443 14.2141 14.2141 16.0026 16.0026 16.5211 16.5211 16.9968 16.9968 k = 0.3352 0.1125 0.6124 ( 3814 PWs) bands (ev): 2.5998 2.5998 3.0248 3.0248 3.0267 3.0267 3.1821 3.1821 3.2245 3.2245 3.2425 3.2425 3.3505 3.3505 3.3533 3.3533 3.7885 3.7885 4.5418 4.5418 4.5485 4.5485 4.5558 4.5558 4.7949 4.7949 4.8260 4.8260 4.9096 4.9096 5.0934 5.0934 5.2267 5.2267 5.2517 5.2517 5.3385 5.3385 5.4856 5.4856 6.0112 6.0112 6.0673 6.0673 6.2883 6.2883 7.3387 7.3387 8.0989 8.0989 8.3493 8.3493 8.9303 8.9303 9.0689 9.0689 10.5118 10.5118 13.1722 13.1722 13.9737 13.9737 14.0283 14.0283 15.9760 15.9760 16.5421 16.5421 16.9791 16.9791 k = 0.3409 0.0964 0.6124 ( 3802 PWs) bands (ev): 2.5988 2.5988 3.0211 3.0211 3.0236 3.0236 3.1846 3.1846 3.2139 3.2139 3.2358 3.2358 3.3456 3.3456 3.3482 3.3482 3.7703 3.7703 4.5491 4.5491 4.5545 4.5545 4.5707 4.5707 4.7947 4.7947 4.8164 4.8164 4.8935 4.8935 5.0998 5.0998 5.2497 5.2497 5.2682 5.2682 5.3606 5.3606 5.5053 5.5053 6.0188 6.0188 6.0982 6.0982 6.3213 6.3213 7.3881 7.3881 8.0669 8.0669 8.3213 8.3213 8.9088 8.9088 9.0435 9.0435 10.5727 10.5727 13.0020 13.0020 13.8057 13.8057 13.8463 13.8463 15.9521 15.9521 16.5643 16.5643 16.9638 16.9638 k = 0.3466 0.0804 0.6124 ( 3802 PWs) bands (ev): 2.6003 2.6003 3.0154 3.0154 3.0219 3.0219 3.1847 3.1847 3.2033 3.2033 3.2309 3.2309 3.3403 3.3403 3.3428 3.3428 3.7541 3.7541 4.5541 4.5541 4.5564 4.5564 4.5929 4.5929 4.7939 4.7939 4.8058 4.8058 4.8791 4.8791 5.1057 5.1057 5.2737 5.2737 5.2866 5.2866 5.3842 5.3842 5.5251 5.5251 6.0279 6.0279 6.1315 6.1315 6.3562 6.3562 7.4313 7.4313 8.0342 8.0342 8.2922 8.2922 8.8876 8.8876 9.0171 9.0171 10.6224 10.6224 12.8455 12.8455 13.6410 13.6410 13.6681 13.6681 15.9303 15.9303 16.5878 16.5878 16.9511 16.9511 k = 0.3523 0.0643 0.6124 ( 3793 PWs) bands (ev): 2.6043 2.6043 3.0098 3.0098 3.0199 3.0199 3.1819 3.1819 3.1927 3.1927 3.2281 3.2281 3.3348 3.3348 3.3371 3.3371 3.7400 3.7400 4.5544 4.5544 4.5637 4.5637 4.6150 4.6150 4.7927 4.7927 4.7943 4.7943 4.8665 4.8665 5.1119 5.1119 5.2977 5.2977 5.3065 5.3065 5.4093 5.4093 5.5452 5.5452 6.0383 6.0383 6.1669 6.1669 6.3928 6.3928 7.4681 7.4681 8.0011 8.0011 8.2623 8.2623 8.8664 8.8664 8.9898 8.9898 10.6565 10.6565 12.7073 12.7073 13.4806 13.4806 13.4939 13.4939 15.9106 15.9106 16.6127 16.6127 16.9410 16.9410 k = 0.3580 0.0482 0.6124 ( 3793 PWs) bands (ev): 2.6106 2.6106 3.0042 3.0042 3.0175 3.0175 3.1767 3.1767 3.1821 3.1821 3.2270 3.2270 3.3290 3.3290 3.3310 3.3310 3.7280 3.7280 4.5554 4.5554 4.5709 4.5709 4.6366 4.6366 4.7821 4.7821 4.7914 4.7914 4.8558 4.8558 5.1188 5.1188 5.3211 5.3211 5.3275 5.3275 5.4360 5.4360 5.5655 5.5655 6.0499 6.0499 6.2043 6.2043 6.4310 6.4310 7.4984 7.4984 7.9675 7.9675 8.2319 8.2319 8.8450 8.8450 8.9614 8.9614 10.6699 10.6699 12.5919 12.5919 13.3239 13.3239 13.3255 13.3255 15.8926 15.8926 16.6391 16.6391 16.9334 16.9334 k = 0.3636 0.0321 0.6124 ( 3796 PWs) bands (ev): 2.6190 2.6190 2.9986 2.9986 3.0148 3.0148 3.1698 3.1698 3.1718 3.1718 3.2269 3.2269 3.3230 3.3230 3.3247 3.3247 3.7183 3.7183 4.5571 4.5571 4.5780 4.5780 4.6575 4.6575 4.7697 4.7697 4.7903 4.7903 4.8471 4.8471 5.1267 5.1267 5.3436 5.3436 5.3493 5.3493 5.4642 5.4642 5.5860 5.5860 6.0627 6.0627 6.2433 6.2433 6.4707 6.4707 7.5222 7.5222 7.9337 7.9337 8.2015 8.2015 8.8232 8.8232 8.9319 8.9319 10.6579 10.6579 12.5032 12.5032 13.1582 13.1582 13.1775 13.1775 15.8761 15.8761 16.6670 16.6670 16.9283 16.9283 k = 0.3693 0.0161 0.6124 ( 3796 PWs) bands (ev): 2.6296 2.6296 2.9931 2.9931 3.0120 3.0120 3.1616 3.1616 3.1619 3.1619 3.2271 3.2271 3.3168 3.3168 3.3181 3.3181 3.7110 3.7110 4.5595 4.5595 4.5851 4.5851 4.6770 4.6770 4.7575 4.7575 4.7897 4.7897 4.8405 4.8405 5.1358 5.1358 5.3652 5.3652 5.3716 5.3716 5.4937 5.4937 5.6069 5.6069 6.0764 6.0764 6.2838 6.2838 6.5116 6.5116 7.5394 7.5394 7.8998 7.8998 8.1714 8.1714 8.8008 8.8008 8.9013 8.9013 10.6172 10.6172 12.4419 12.4419 12.9970 12.9970 13.0397 13.0397 15.8611 15.8611 16.6964 16.6964 16.9256 16.9256 k = 0.3750-0.0000 0.6124 ( 3808 PWs) bands (ev): 2.6419 2.6419 2.9877 2.9877 3.0089 3.0089 3.1516 3.1516 3.1535 3.1535 3.2269 3.2269 3.3105 3.3105 3.3114 3.3114 3.7062 3.7062 4.5627 4.5627 4.5919 4.5919 4.6940 4.6940 4.7464 4.7464 4.7898 4.7898 4.8359 4.8359 5.1464 5.1464 5.3858 5.3858 5.3940 5.3940 5.5243 5.5243 5.6280 5.6280 6.0910 6.0910 6.3257 6.3257 6.5537 6.5537 7.5503 7.5503 7.8658 7.8658 8.1419 8.1419 8.7776 8.7776 8.8695 8.8695 10.5474 10.5474 12.4030 12.4030 12.8404 12.8404 12.9178 12.9178 15.8472 15.8472 16.7272 16.7272 16.9252 16.9252 k = 0.3807-0.0161 0.6124 ( 3778 PWs) bands (ev): 2.6560 2.6560 2.9824 2.9824 3.0058 3.0058 3.1420 3.1420 3.1449 3.1449 3.2262 3.2262 3.3040 3.3040 3.3046 3.3046 3.7040 3.7040 4.5664 4.5664 4.5985 4.5985 4.7060 4.7060 4.7388 4.7388 4.7906 4.7906 4.8338 4.8338 5.1585 5.1585 5.4054 5.4054 5.4164 5.4164 5.5555 5.5555 5.6494 5.6494 6.1066 6.1066 6.3688 6.3688 6.5967 6.5967 7.5551 7.5551 7.8320 7.8320 8.1132 8.1132 8.7535 8.7535 8.8366 8.8366 10.4514 10.4514 12.3722 12.3722 12.6887 12.6887 12.8238 12.8238 15.8343 15.8343 16.7595 16.7595 16.9271 16.9271 k = 0.3864-0.0321 0.6124 ( 3778 PWs) bands (ev): 2.6714 2.6714 2.9771 2.9771 3.0025 3.0025 3.1326 3.1326 3.1362 3.1362 3.2248 3.2248 3.2975 3.2975 3.2978 3.2978 3.7043 3.7043 4.5707 4.5707 4.6048 4.6048 4.7074 4.7074 4.7397 4.7397 4.7923 4.7923 4.8345 4.8345 5.1721 5.1721 5.4243 5.4243 5.4384 5.4384 5.5873 5.5873 5.6711 5.6711 6.1230 6.1230 6.4128 6.4128 6.6406 6.6406 7.5542 7.5542 7.7985 7.7985 8.0855 8.0855 8.7282 8.7282 8.8024 8.8024 10.3339 10.3339 12.3272 12.3272 12.5420 12.5420 12.7754 12.7754 15.8223 15.8223 16.7931 16.7931 16.9310 16.9310 k = 0.3920-0.0482 0.6124 ( 3784 PWs) bands (ev): 2.6879 2.6879 2.9719 2.9719 2.9992 2.9992 3.1236 3.1236 3.1277 3.1277 3.2227 3.2227 3.2909 3.2909 3.2911 3.2911 3.7072 3.7072 4.5755 4.5755 4.6108 4.6108 4.7008 4.7008 4.7465 4.7465 4.7950 4.7950 4.8382 4.8382 5.1874 5.1874 5.4425 5.4425 5.4599 5.4599 5.6192 5.6192 5.6931 5.6931 6.1401 6.1401 6.4576 6.4576 6.6851 6.6851 7.5482 7.5482 7.7656 7.7656 8.0589 8.0589 8.7017 8.7017 8.7671 8.7671 10.2002 10.2002 12.2540 12.2540 12.4004 12.4004 12.7816 12.7816 15.8109 15.8109 16.8276 16.8276 16.9369 16.9369 k = 0.3977-0.0643 0.6124 ( 3784 PWs) bands (ev): 2.7053 2.7053 2.9669 2.9669 2.9958 2.9958 3.1151 3.1151 3.1194 3.1194 3.2198 3.2198 3.2842 3.2842 3.2846 3.2846 3.7125 3.7125 4.5806 4.5806 4.6165 4.6165 4.6923 4.6923 4.7533 4.7533 4.7986 4.7986 4.8447 4.8447 5.2042 5.2042 5.4601 5.4601 5.4806 5.4806 5.6511 5.6511 5.7154 5.7154 6.1580 6.1580 6.5028 6.5028 6.7300 6.7300 7.5377 7.5377 7.7336 7.7336 8.0335 8.0335 8.6739 8.6739 8.7306 8.7306 10.0552 10.0552 12.1588 12.1588 12.2643 12.2643 12.8315 12.8315 15.8000 15.8000 16.8628 16.8628 16.9445 16.9445 k = 0.4034-0.0804 0.6124 ( 3781 PWs) bands (ev): 2.7233 2.7233 2.9619 2.9619 2.9925 2.9925 3.1069 3.1069 3.1114 3.1114 3.2162 3.2162 3.2777 3.2777 3.2783 3.2783 3.7201 3.7201 4.5858 4.5858 4.6217 4.6217 4.6839 4.6839 4.7588 4.7588 4.8032 4.8032 4.8534 4.8534 5.2224 5.2224 5.4771 5.4771 5.5005 5.5005 5.6826 5.6826 5.7379 5.7379 6.1765 6.1765 6.5483 6.5483 6.7749 6.7749 7.5236 7.5236 7.7028 7.7028 8.0092 8.0092 8.6446 8.6446 8.6929 8.6929 9.9030 9.9030 12.0536 12.0536 12.1337 12.1337 12.9094 12.9094 15.7893 15.7893 16.8984 16.8984 16.9537 16.9537 k = 0.4091-0.0964 0.6124 ( 3781 PWs) bands (ev): 2.7416 2.7416 2.9571 2.9571 2.9891 2.9891 3.0992 3.0992 3.1037 3.1037 3.2120 3.2120 3.2713 3.2713 3.2720 3.2720 3.7299 3.7299 4.5908 4.5908 4.6266 4.6266 4.6765 4.6765 4.7635 4.7635 4.8085 4.8085 4.8634 4.8634 5.2420 5.2420 5.4936 5.4936 5.5194 5.5194 5.7138 5.7138 5.7606 5.7606 6.1957 6.1957 6.5937 6.5937 6.8193 6.8193 7.5068 7.5068 7.6734 7.6734 7.9859 7.9859 8.6138 8.6138 8.6540 8.6540 9.7468 9.7468 11.9457 11.9457 12.0089 12.0089 13.0047 13.0047 15.7786 15.7786 16.9338 16.9338 16.9643 16.9643 k = 0.4148-0.1125 0.6124 ( 3793 PWs) bands (ev): 2.7598 2.7598 2.9524 2.9524 2.9859 2.9859 3.0920 3.0920 3.0964 3.0964 3.2073 3.2073 3.2651 3.2651 3.2659 3.2659 3.7416 3.7416 4.5954 4.5954 4.6311 4.6311 4.6702 4.6702 4.7681 4.7681 4.8146 4.8146 4.8740 4.8740 5.2627 5.2627 5.5097 5.5097 5.5372 5.5372 5.7442 5.7442 5.7834 5.7834 6.2155 6.2155 6.6386 6.6386 6.8627 6.8627 7.4886 7.4886 7.6460 7.6460 7.9637 7.9637 8.5815 8.5815 8.6139 8.6139 9.5890 9.5890 11.8391 11.8391 11.8901 11.8901 13.1113 13.1113 15.7677 15.7677 16.9685 16.9685 16.9760 16.9760 k = 0.4205-0.1286 0.6124 ( 3787 PWs) bands (ev): 2.7779 2.7779 2.9479 2.9479 2.9827 2.9827 3.0853 3.0853 3.0894 3.0894 3.2023 3.2023 3.2592 3.2592 3.2600 3.2600 3.7549 3.7549 4.5991 4.5991 4.6353 4.6353 4.6653 4.6653 4.7731 4.7731 4.8212 4.8212 4.8847 4.8847 5.2843 5.2843 5.5253 5.5253 5.5539 5.5539 5.7739 5.7739 5.8062 5.8062 6.2358 6.2358 6.6825 6.6825 6.9042 6.9042 7.4705 7.4705 7.6212 7.6212 7.9424 7.9424 8.5475 8.5475 8.5727 8.5727 9.4317 9.4317 11.7358 11.7358 11.7775 11.7775 13.2250 13.2250 15.7564 15.7564 16.9887 16.9887 17.0020 17.0020 k = 0.4261-0.1446 0.6124 ( 3781 PWs) bands (ev): 2.7953 2.7953 2.9435 2.9435 2.9796 2.9796 3.0791 3.0791 3.0829 3.0829 3.1970 3.1970 3.2536 3.2536 3.2544 3.2544 3.7694 3.7694 4.6018 4.6018 4.6391 4.6391 4.6619 4.6619 4.7792 4.7792 4.8283 4.8283 4.8951 4.8951 5.3068 5.3068 5.5404 5.5404 5.5695 5.5695 5.8025 5.8025 5.8289 5.8289 6.2566 6.2566 6.7249 6.7249 6.9425 6.9425 7.4540 7.4540 7.5994 7.5994 7.9220 7.9220 8.5119 8.5119 8.5303 8.5303 9.2764 9.2764 11.6372 11.6372 11.6715 11.6715 13.3432 13.3432 15.7444 15.7444 17.0020 17.0020 17.0334 17.0334 k = 0.4318-0.1607 0.6124 ( 3781 PWs) bands (ev): 2.8121 2.8121 2.9393 2.9393 2.9767 2.9767 3.0734 3.0734 3.0768 3.0768 3.1917 3.1917 3.2483 3.2483 3.2490 3.2490 3.7849 3.7849 4.6033 4.6033 4.6427 4.6427 4.6600 4.6600 4.7866 4.7866 4.8357 4.8357 4.9050 4.9050 5.3297 5.3297 5.5551 5.5551 5.5839 5.5839 5.8301 5.8301 5.8512 5.8512 6.2777 6.2777 6.7650 6.7650 6.9761 6.9761 7.4415 7.4415 7.5815 7.5815 7.9026 7.9026 8.4746 8.4746 8.4868 8.4868 9.1246 9.1246 11.5439 11.5439 11.5721 11.5721 13.4638 13.4638 15.7314 15.7314 17.0159 17.0159 17.0618 17.0618 k = 0.4375-0.1768 0.6124 ( 3790 PWs) bands (ev): 2.8279 2.8279 2.9353 2.9353 2.9739 2.9739 3.0682 3.0682 3.0712 3.0712 3.1863 3.1863 3.2433 3.2433 3.2440 3.2440 3.8009 3.8009 4.6036 4.6036 4.6459 4.6459 4.6593 4.6593 4.7954 4.7954 4.8431 4.8431 4.9142 4.9142 5.3529 5.3529 5.5692 5.5692 5.5971 5.5971 5.8564 5.8564 5.8731 5.8731 6.2990 6.2990 6.8023 6.8023 7.0028 7.0028 7.4354 7.4354 7.5683 7.5683 7.8844 7.8844 8.4357 8.4357 8.4422 8.4422 8.9776 8.9776 11.4566 11.4566 11.4796 11.4796 13.5850 13.5850 15.7172 15.7172 17.0298 17.0298 17.0866 17.0866 k = 0.4432-0.1928 0.6124 ( 3790 PWs) bands (ev): 2.8426 2.8426 2.9315 2.9315 2.9714 2.9714 3.0635 3.0635 3.0660 3.0660 3.1812 3.1812 3.2387 3.2387 3.2393 3.2393 3.8170 3.8170 4.6031 4.6031 4.6489 4.6489 4.6594 4.6594 4.8056 4.8056 4.8505 4.8505 4.9229 4.9229 5.3762 5.3762 5.5828 5.5828 5.6091 5.6091 5.8812 5.8812 5.8943 5.8943 6.3204 6.3204 6.8357 6.8357 7.0208 7.0208 7.4380 7.4380 7.5605 7.5605 7.8675 7.8675 8.3953 8.3953 8.3966 8.3966 8.8364 8.8364 11.3757 11.3757 11.3944 11.3944 13.7051 13.7051 15.7017 15.7017 17.0438 17.0438 17.1071 17.1071 k = 0.4489-0.2089 0.6124 ( 3787 PWs) bands (ev): 2.8560 2.8560 2.9280 2.9280 2.9690 2.9690 3.0593 3.0593 3.0614 3.0614 3.1763 3.1763 3.2344 3.2344 3.2349 3.2349 3.8328 3.8328 4.6021 4.6021 4.6516 4.6516 4.6600 4.6600 4.8168 4.8168 4.8576 4.8576 4.9308 4.9308 5.3993 5.3993 5.5958 5.5958 5.6199 5.6199 5.9046 5.9046 5.9146 5.9146 6.3416 6.3416 6.8648 6.8648 7.0290 7.0290 7.4507 7.4507 7.5590 7.5590 7.8520 7.8520 8.3502 8.3502 8.3534 8.3534 8.7023 8.7023 11.3015 11.3015 11.3164 11.3164 13.8228 13.8228 15.6845 15.6845 17.0574 17.0574 17.1228 17.1228 k = 0.4545-0.2250 0.6124 ( 3781 PWs) bands (ev): 2.8681 2.8681 2.9248 2.9248 2.9670 2.9670 3.0556 3.0556 3.0572 3.0572 3.1717 3.1717 3.2305 3.2305 3.2310 3.2310 3.8479 3.8479 4.6009 4.6009 4.6541 4.6541 4.6607 4.6607 4.8289 4.8289 4.8645 4.8645 4.9380 4.9380 5.4218 5.4218 5.6081 5.6081 5.6296 5.6296 5.9262 5.9262 5.9339 5.9339 6.3623 6.3623 6.8888 6.8888 7.0280 7.0280 7.4733 7.4733 7.5643 7.5643 7.8385 7.8385 8.3032 8.3032 8.3101 8.3101 8.5763 8.5763 11.2344 11.2344 11.2461 11.2461 13.9365 13.9365 15.6658 15.6658 17.0705 17.0705 17.1337 17.1337 k = 0.4602-0.2411 0.6124 ( 3781 PWs) bands (ev): 2.8787 2.8787 2.9219 2.9219 2.9652 2.9652 3.0524 3.0524 3.0536 3.0536 3.1675 3.1675 3.2271 3.2271 3.2274 3.2274 3.8620 3.8620 4.5996 4.5996 4.6562 4.6562 4.6614 4.6614 4.8412 4.8412 4.8708 4.8708 4.9446 4.9446 5.4433 5.4433 5.6196 5.6196 5.6381 5.6381 5.9460 5.9460 5.9517 5.9517 6.3822 6.3822 6.9076 6.9076 7.0198 7.0198 7.5043 7.5043 7.5764 7.5764 7.8271 7.8271 8.2557 8.2557 8.2658 8.2658 8.4595 8.4595 11.1747 11.1747 11.1836 11.1836 14.0447 14.0447 15.6456 15.6456 17.0827 17.0827 17.1399 17.1399 k = 0.4659-0.2571 0.6124 ( 3781 PWs) bands (ev): 2.8878 2.8878 2.9193 2.9193 2.9637 2.9637 3.0496 3.0496 3.0504 3.0504 3.1637 3.1637 3.2240 3.2240 3.2243 3.2243 3.8748 3.8748 4.5984 4.5984 4.6582 4.6582 4.6620 4.6620 4.8532 4.8532 4.8766 4.8766 4.9504 4.9504 5.4635 5.4635 5.6303 5.6303 5.6454 5.6454 5.9637 5.9637 5.9679 5.9679 6.4009 6.4009 6.9215 6.9215 7.0069 7.0069 7.5412 7.5412 7.5951 7.5951 7.8183 7.8183 8.2083 8.2083 8.2207 8.2207 8.3531 8.3531 11.1225 11.1225 11.1290 11.1290 14.1457 14.1457 15.6242 15.6242 17.0938 17.0938 17.1420 17.1420 k = 0.4716-0.2732 0.6124 ( 3787 PWs) bands (ev): 2.8955 2.8955 2.9170 2.9170 2.9625 2.9625 3.0473 3.0473 3.0478 3.0478 3.1605 3.1605 3.2214 3.2214 3.2216 3.2216 3.8860 3.8860 4.5973 4.5973 4.6598 4.6598 4.6625 4.6625 4.8645 4.8645 4.8816 4.8816 4.9554 4.9554 5.4818 5.4818 5.6401 5.6401 5.6516 5.6516 5.9793 5.9793 5.9822 5.9822 6.4179 6.4179 6.9311 6.9311 6.9919 6.9919 7.5817 7.5817 7.6193 7.6193 7.8125 7.8125 8.1614 8.1614 8.1752 8.1752 8.2582 8.2582 11.0780 11.0780 11.0825 11.0825 14.2375 14.2375 15.6022 15.6022 17.1036 17.1036 17.1411 17.1411 k = 0.4773-0.2893 0.6124 ( 3793 PWs) bands (ev): 2.9016 2.9016 2.9152 2.9152 2.9616 2.9616 3.0454 3.0454 3.0457 3.0457 3.1578 3.1578 3.2192 3.2192 3.2194 3.2194 3.8955 3.8955 4.5964 4.5964 4.6612 4.6612 4.6629 4.6629 4.8744 4.8744 4.8859 4.8859 4.9597 4.9597 5.4977 5.4977 5.6486 5.6486 5.6567 5.6567 5.9924 5.9924 5.9944 5.9944 6.4327 6.4327 6.9371 6.9371 6.9767 6.9767 7.6236 7.6236 7.6475 7.6475 7.8100 7.8100 8.1160 8.1160 8.1300 8.1300 8.1764 8.1764 11.0415 11.0415 11.0443 11.0443 14.3179 14.3179 15.5807 15.5807 17.1120 17.1120 17.1382 17.1382 k = 0.4830-0.3053 0.6124 ( 3794 PWs) bands (ev): 2.9062 2.9062 2.9137 2.9137 2.9610 2.9610 3.0439 3.0439 3.0440 3.0440 3.1557 3.1557 3.2175 3.2175 3.2177 3.2177 3.9030 3.9030 4.5958 4.5958 4.6622 4.6622 4.6632 4.6632 4.8826 4.8826 4.8893 4.8893 4.9631 4.9631 5.5107 5.5107 5.6558 5.6558 5.6606 5.6606 6.0030 6.0030 6.0042 6.0042 6.4448 6.4448 6.9406 6.9406 6.9631 6.9631 7.6642 7.6642 7.6774 7.6774 7.8111 7.8111 8.0736 8.0736 8.0858 8.0858 8.1097 8.1097 11.0129 11.0129 11.0145 11.0145 14.3845 14.3845 15.5610 15.5610 17.1187 17.1187 17.1344 17.1344 k = 0.4886-0.3214 0.6124 ( 3782 PWs) bands (ev): 2.9095 2.9095 2.9127 2.9127 2.9606 2.9606 3.0428 3.0428 3.0429 3.0429 3.1542 3.1542 3.2163 3.2163 3.2165 3.2165 3.9084 3.9084 4.5953 4.5953 4.6630 4.6630 4.6634 4.6634 4.8887 4.8887 4.8918 4.8918 4.9656 4.9656 5.5202 5.5202 5.6612 5.6612 5.6634 5.6634 6.0108 6.0108 6.0113 6.0113 6.4538 6.4538 6.9423 6.9423 6.9525 6.9525 7.6999 7.6999 7.7056 7.7056 7.8154 7.8154 8.0371 8.0371 8.0441 8.0441 8.0614 8.0614 10.9924 10.9924 10.9931 10.9931 14.4347 14.4347 15.5449 15.5449 17.1236 17.1236 17.1309 17.1309 k = 0.4943-0.3375 0.6124 ( 3776 PWs) bands (ev): 2.9114 2.9114 2.9120 2.9120 2.9605 2.9605 3.0421 3.0421 3.0423 3.0423 3.1533 3.1533 3.2156 3.2156 3.2158 3.2158 3.9117 3.9117 4.5950 4.5950 4.6635 4.6635 4.6635 4.6635 4.8925 4.8925 4.8932 4.8932 4.9672 4.9672 5.5261 5.5261 5.6646 5.6646 5.6651 5.6651 6.0155 6.0155 6.0156 6.0156 6.4594 6.4594 6.9431 6.9431 6.9457 6.9457 7.7257 7.7257 7.7270 7.7270 7.8209 7.8209 8.0109 8.0109 8.0127 8.0127 8.0313 8.0313 10.9801 10.9801 10.9803 10.9803 14.4661 14.4661 15.5343 15.5343 17.1265 17.1265 17.1284 17.1284 k = 0.5000-0.3536 0.6124 ( 3716 PWs) bands (ev): 2.9118 2.9118 2.9120 2.9120 2.9604 2.9604 3.0419 3.0419 3.0421 3.0421 3.1529 3.1529 3.2153 3.2153 3.2155 3.2155 3.9128 3.9128 4.5949 4.5949 4.6635 4.6635 4.6636 4.6636 4.8937 4.8937 4.8938 4.8938 4.9677 4.9677 5.5281 5.5281 5.6656 5.6656 5.6658 5.6658 6.0171 6.0171 6.0171 6.0171 6.4613 6.4613 6.9433 6.9433 6.9434 6.9434 7.7352 7.7352 7.7352 7.7352 7.8236 7.8236 8.0011 8.0011 8.0011 8.0011 8.0205 8.0205 10.9760 10.9760 10.9760 10.9760 14.4768 14.4768 15.5306 15.5306 17.1275 17.1275 17.1275 17.1275 k = 0.2500 0.3536 0.6124 ( 3832 PWs) bands (ev): 2.7786 2.7786 2.9981 2.9981 3.0818 3.0818 3.0820 3.0820 3.3299 3.3299 3.3302 3.3302 3.3820 3.3820 3.3823 3.3823 4.1916 4.1916 4.3377 4.3377 4.3379 4.3379 4.5924 4.5924 4.7755 4.7755 4.7757 4.7757 4.9646 4.9646 5.1436 5.1436 5.1837 5.1837 5.1839 5.1839 5.2144 5.2144 5.2146 5.2146 6.0947 6.0947 6.0948 6.0948 6.1275 6.1275 6.2027 6.2027 8.4656 8.4656 8.4657 8.4657 9.3564 9.3564 9.3992 9.3992 9.3992 9.3992 15.1857 15.1857 15.9713 15.9713 16.5117 16.5117 16.8485 16.8485 16.8485 16.8485 17.1946 17.1947 k = 0.2404 0.3400 0.6124 ( 3812 PWs) bands (ev): 2.7762 2.7762 2.9973 2.9973 3.0821 3.0821 3.0835 3.0835 3.3291 3.3291 3.3300 3.3300 3.3817 3.3817 3.3823 3.3823 4.1848 4.1848 4.3183 4.3183 4.3638 4.3638 4.5922 4.5922 4.7679 4.7679 4.7850 4.7850 4.9644 4.9644 5.1437 5.1437 5.1802 5.1802 5.1873 5.1873 5.2006 5.2006 5.2291 5.2291 6.0485 6.0485 6.0946 6.0946 6.1573 6.1573 6.2259 6.2259 8.4486 8.4486 8.4806 8.4806 9.3267 9.3267 9.3912 9.3912 9.4398 9.4398 15.1789 15.1789 15.9606 15.9606 16.4777 16.4777 16.8049 16.8049 16.8523 16.8523 17.1776 17.1776 k = 0.2308 0.3264 0.6124 ( 3808 PWs) bands (ev): 2.7693 2.7693 2.9951 2.9951 3.0827 3.0827 3.0881 3.0881 3.3271 3.3271 3.3289 3.3289 3.3810 3.3810 3.3823 3.3823 4.1664 4.1664 4.3049 4.3049 4.3946 4.3946 4.5915 4.5915 4.7619 4.7619 4.7959 4.7959 4.9639 4.9639 5.1440 5.1440 5.1762 5.1762 5.1846 5.1846 5.1946 5.1946 5.2438 5.2438 6.0015 6.0015 6.0614 6.0614 6.2102 6.2102 6.2731 6.2731 8.4293 8.4293 8.4935 8.4935 9.2837 9.2837 9.3886 9.3886 9.4940 9.4940 15.1578 15.1578 15.9303 15.9303 16.3819 16.3819 16.7193 16.7193 16.8402 16.8402 17.1375 17.1375 k = 0.2212 0.3128 0.6124 ( 3808 PWs) bands (ev): 2.7582 2.7582 2.9918 2.9918 3.0837 3.0837 3.0950 3.0950 3.3241 3.3241 3.3268 3.3268 3.3799 3.3799 3.3822 3.3822 4.1409 4.1409 4.2953 4.2953 4.4279 4.4279 4.5905 4.5905 4.7577 4.7577 4.8082 4.8082 4.9630 4.9630 5.1445 5.1445 5.1680 5.1680 5.1768 5.1768 5.1994 5.1994 5.2585 5.2585 5.9572 5.9572 6.0263 6.0263 6.2659 6.2659 6.3297 6.3297 8.4078 8.4078 8.5046 8.5046 9.2427 9.2427 9.3851 9.3851 9.5529 9.5529 15.1207 15.1207 15.8850 15.8850 16.2405 16.2405 16.6107 16.6107 16.8248 16.8248 17.0784 17.0784 k = 0.2115 0.2992 0.6124 ( 3808 PWs) bands (ev): 2.7436 2.7436 2.9876 2.9876 3.0848 3.0848 3.1036 3.1036 3.3201 3.3201 3.3239 3.3239 3.3784 3.3784 3.3819 3.3819 4.1119 4.1119 4.2876 4.2876 4.4616 4.4616 4.5897 4.5897 4.7552 4.7552 4.8217 4.8217 4.9619 4.9619 5.1448 5.1448 5.1558 5.1558 5.1732 5.1732 5.2059 5.2059 5.2731 5.2731 5.9162 5.9162 5.9927 5.9927 6.3233 6.3233 6.3924 6.3924 8.3842 8.3842 8.5141 8.5141 9.2049 9.2049 9.3804 9.3804 9.6152 9.6152 15.0653 15.0653 15.8297 15.8297 16.0708 16.0708 16.4964 16.4964 16.8055 16.8055 17.0117 17.0117 k = 0.2019 0.2856 0.6124 ( 3810 PWs) bands (ev): 2.7261 2.7261 2.9828 2.9828 3.0859 3.0859 3.1131 3.1131 3.3153 3.3153 3.3202 3.3202 3.3765 3.3765 3.3815 3.3815 4.0818 4.0818 4.2805 4.2805 4.4940 4.4940 4.5900 4.5900 4.7546 4.7546 4.8362 4.8362 4.9604 4.9604 5.1418 5.1418 5.1468 5.1468 5.1705 5.1705 5.2135 5.2135 5.2874 5.2874 5.8784 5.8784 5.9613 5.9613 6.3822 6.3822 6.4599 6.4599 8.3587 8.3587 8.5221 8.5221 9.1707 9.1707 9.3744 9.3744 9.6805 9.6805 14.9898 14.9898 15.7658 15.7658 15.8883 15.8883 16.3869 16.3869 16.7797 16.7797 16.9449 16.9449 k = 0.1923 0.2720 0.6124 ( 3808 PWs) bands (ev): 2.7065 2.7065 2.9775 2.9775 3.0868 3.0868 3.1230 3.1230 3.3097 3.3097 3.3160 3.3160 3.3744 3.3744 3.3809 3.3809 4.0518 4.0518 4.2737 4.2737 4.5219 4.5219 4.5934 4.5934 4.7558 4.7558 4.8513 4.8513 4.9585 4.9585 5.1307 5.1307 5.1462 5.1462 5.1684 5.1684 5.2221 5.2221 5.3014 5.3014 5.8441 5.8441 5.9321 5.9321 6.4428 6.4428 6.5313 6.5313 8.3316 8.3316 8.5289 8.5289 9.1401 9.1401 9.3673 9.3673 9.7487 9.7487 14.8938 14.8938 15.6540 15.6540 15.7428 15.7428 16.2883 16.2883 16.7462 16.7462 16.8822 16.8822 k = 0.1827 0.2584 0.6124 ( 3804 PWs) bands (ev): 2.6852 2.6852 2.9720 2.9720 3.0873 3.0873 3.1328 3.1328 3.3035 3.3035 3.3113 3.3113 3.3720 3.3720 3.3801 3.3801 4.0225 4.0225 4.2672 4.2672 4.5408 4.5408 4.6040 4.6040 4.7590 4.7590 4.8669 4.8669 4.9564 4.9564 5.1198 5.1198 5.1460 5.1460 5.1671 5.1671 5.2315 5.2315 5.3151 5.3151 5.8130 5.8130 5.9050 5.9050 6.5050 6.5050 6.6058 6.6058 8.3033 8.3033 8.5347 8.5347 9.1128 9.1128 9.3591 9.3591 9.8196 9.8196 14.7790 14.7790 15.4622 15.4622 15.6712 15.6712 16.2038 16.2038 16.7053 16.7053 16.8255 16.8255 k = 0.1731 0.2448 0.6124 ( 3800 PWs) bands (ev): 2.6627 2.6627 2.9662 2.9662 3.0872 3.0872 3.1422 3.1422 3.2968 3.2968 3.3064 3.3064 3.3693 3.3693 3.3792 3.3792 3.9945 3.9945 4.2609 4.2609 4.5487 4.5487 4.6230 4.6230 4.7642 4.7642 4.8823 4.8823 4.9540 4.9540 5.1100 5.1100 5.1454 5.1454 5.1669 5.1669 5.2416 5.2416 5.3286 5.3286 5.7850 5.7850 5.8800 5.8800 6.5685 6.5685 6.6827 6.6827 8.2741 8.2741 8.5397 8.5397 9.0888 9.0888 9.3499 9.3499 9.8930 9.8930 14.6488 14.6488 15.2563 15.2563 15.6095 15.6095 16.1351 16.1351 16.6583 16.6583 16.7752 16.7752 k = 0.1635 0.2312 0.6124 ( 3804 PWs) bands (ev): 2.6396 2.6396 2.9604 2.9604 3.0863 3.0863 3.1509 3.1509 3.2897 3.2897 3.3014 3.3014 3.3665 3.3665 3.3781 3.3781 3.9678 3.9678 4.2550 4.2550 4.5499 4.5499 4.6455 4.6455 4.7717 4.7717 4.8970 4.8970 4.9519 4.9519 5.1012 5.1012 5.1449 5.1449 5.1678 5.1678 5.2523 5.2523 5.3417 5.3417 5.7601 5.7601 5.8569 5.8569 6.6331 6.6331 6.7614 6.7614 8.2445 8.2445 8.5443 8.5443 9.0678 9.0678 9.3398 9.3398 9.9689 9.9689 14.5069 14.5069 15.0475 15.0475 15.5468 15.5468 16.0825 16.0825 16.6077 16.6077 16.7303 16.7303 k = 0.1538 0.2176 0.6124 ( 3806 PWs) bands (ev): 2.6161 2.6161 2.9544 2.9544 3.0845 3.0845 3.1588 3.1588 3.2826 3.2826 3.2967 3.2967 3.3634 3.3634 3.3768 3.3768 3.9428 3.9428 4.2496 4.2496 4.5484 4.5484 4.6671 4.6671 4.7815 4.7815 4.9095 4.9095 4.9510 4.9510 5.0932 5.0932 5.1451 5.1451 5.1695 5.1695 5.2634 5.2634 5.3545 5.3545 5.7379 5.7379 5.8355 5.8355 6.6983 6.6983 6.8412 6.8412 8.2152 8.2152 8.5486 8.5486 9.0496 9.0496 9.3289 9.3289 10.0472 10.0472 14.3573 14.3573 14.8385 14.8385 15.4815 15.4815 16.0445 16.0445 16.5561 16.5561 16.6894 16.6894 k = 0.1442 0.2040 0.6124 ( 3814 PWs) bands (ev): 2.5926 2.5926 2.9485 2.9485 3.0817 3.0817 3.1657 3.1657 3.2754 3.2754 3.2924 3.2924 3.3603 3.3603 3.3754 3.3754 3.9194 3.9194 4.2448 4.2448 4.5458 4.5458 4.6861 4.6861 4.7935 4.7935 4.9175 4.9175 4.9533 4.9533 5.0859 5.0859 5.1467 5.1467 5.1718 5.1718 5.2748 5.2748 5.3670 5.3670 5.7184 5.7184 5.8157 5.8157 6.7635 6.7635 6.9215 6.9215 8.1867 8.1867 8.5529 8.5529 9.0339 9.0339 9.3172 9.3172 10.1280 10.1280 14.2031 14.2031 14.6305 14.6305 15.4139 15.4139 16.0189 16.0189 16.5052 16.5052 16.6514 16.6514 k = 0.1346 0.1904 0.6124 ( 3814 PWs) bands (ev): 2.5695 2.5695 2.9427 2.9427 3.0777 3.0777 3.1716 3.1716 3.2683 3.2683 3.2888 3.2888 3.3571 3.3571 3.3740 3.3740 3.8978 3.8978 4.2405 4.2405 4.5427 4.5427 4.7020 4.7020 4.8071 4.8071 4.9195 4.9195 4.9602 4.9602 5.0788 5.0788 5.1505 5.1505 5.1746 5.1746 5.2864 5.2864 5.3792 5.3792 5.7013 5.7013 5.7972 5.7972 6.8280 6.8280 7.0016 7.0016 8.1594 8.1594 8.5575 8.5575 9.0206 9.0206 9.3049 9.3049 10.2112 10.2112 14.0470 14.0470 14.4247 14.4247 15.3451 15.3451 16.0029 16.0029 16.4561 16.4561 16.6160 16.6160 k = 0.1250 0.1768 0.6124 ( 3806 PWs) bands (ev): 2.5469 2.5469 2.9371 2.9371 3.0725 3.0725 3.1765 3.1765 3.2613 3.2613 3.2860 3.2860 3.3538 3.3538 3.3725 3.3725 3.8778 3.8778 4.2368 4.2368 4.5396 4.5396 4.7152 4.7152 4.8214 4.8214 4.9175 4.9175 4.9696 4.9696 5.0718 5.0718 5.1566 5.1566 5.1779 5.1779 5.2980 5.2980 5.3912 5.3912 5.6863 5.6863 5.7800 5.7800 6.8909 6.8909 7.0809 7.0809 8.1341 8.1341 8.5626 8.5626 9.0095 9.0095 9.2920 9.2920 10.2968 10.2968 13.8913 13.8913 14.2217 14.2217 15.2765 15.2765 15.9941 15.9941 16.4096 16.4096 16.5830 16.5830 k = 0.1154 0.1632 0.6124 ( 3814 PWs) bands (ev): 2.5250 2.5250 2.9316 2.9316 3.0663 3.0663 3.1805 3.1805 3.2547 3.2547 3.2841 3.2841 3.3506 3.3506 3.3709 3.3709 3.8597 3.8597 4.2336 4.2336 4.5366 4.5366 4.7264 4.7264 4.8353 4.8353 4.9137 4.9137 4.9792 4.9792 5.0646 5.0646 5.1647 5.1647 5.1818 5.1818 5.3095 5.3095 5.4030 5.4030 5.6733 5.6733 5.7639 5.7639 6.9515 6.9515 7.1584 7.1584 8.1112 8.1112 8.5684 8.5684 9.0005 9.0005 9.2785 9.2785 10.3851 10.3851 13.7375 13.7375 14.0226 14.0226 15.2093 15.2093 15.9903 15.9903 16.3660 16.3660 16.5525 16.5525 k = 0.1058 0.1496 0.6124 ( 3810 PWs) bands (ev): 2.5042 2.5042 2.9264 2.9264 3.0593 3.0593 3.1837 3.1837 3.2483 3.2483 3.2831 3.2831 3.3473 3.3473 3.3694 3.3694 3.8432 3.8432 4.2309 4.2309 4.5338 4.5338 4.7362 4.7362 4.8479 4.8479 4.9098 4.9098 4.9880 4.9880 5.0574 5.0574 5.1736 5.1736 5.1869 5.1869 5.3210 5.3210 5.4145 5.4145 5.6622 5.6622 5.7489 5.7489 7.0087 7.0087 7.2336 7.2336 8.0912 8.0912 8.5753 8.5753 8.9936 8.9936 9.2645 9.2645 10.4760 10.4760 13.5868 13.5868 13.8284 13.8284 15.1446 15.1446 15.9899 15.9899 16.3255 16.3255 16.5245 16.5245 k = 0.0962 0.1360 0.6124 ( 3802 PWs) bands (ev): 2.4846 2.4846 2.9215 2.9215 3.0516 3.0516 3.1860 3.1860 3.2424 3.2424 3.2828 3.2828 3.3441 3.3441 3.3680 3.3680 3.8283 3.8283 4.2286 4.2286 4.5312 4.5312 4.7451 4.7451 4.8580 4.8580 4.9068 4.9068 4.9957 4.9957 5.0504 5.0504 5.1809 5.1809 5.1950 5.1950 5.3322 5.3322 5.4259 5.4259 5.6527 5.6527 5.7347 5.7347 7.0618 7.0618 7.3055 7.3055 8.0744 8.0744 8.5833 8.5833 8.9886 8.9886 9.2500 9.2500 10.5696 10.5696 13.4396 13.4396 13.6409 13.6409 15.0832 15.0832 15.9916 15.9916 16.2882 16.2882 16.4991 16.4991 k = 0.0865 0.1224 0.6124 ( 3812 PWs) bands (ev): 2.4663 2.4663 2.9169 2.9169 3.0435 3.0435 3.1878 3.1878 3.2371 3.2371 3.2831 3.2831 3.3411 3.3411 3.3666 3.3666 3.8151 3.8151 4.2268 4.2268 4.5290 4.5290 4.7532 4.7532 4.8646 4.8646 4.9061 4.9061 5.0017 5.0017 5.0441 5.0441 5.1857 5.1857 5.2060 5.2060 5.3432 5.3432 5.4372 5.4372 5.6446 5.6446 5.7213 5.7213 7.1098 7.1098 7.3735 7.3735 8.0612 8.0612 8.5925 8.5925 8.9856 8.9856 9.2351 9.2351 10.6660 10.6660 13.2949 13.2949 13.4628 13.4628 15.0259 15.0259 15.9946 15.9946 16.2542 16.2542 16.4764 16.4764 k = 0.0769 0.1088 0.6124 ( 3812 PWs) bands (ev): 2.4496 2.4496 2.9127 2.9127 3.0354 3.0354 3.1890 3.1890 3.2323 3.2323 3.2838 3.2838 3.3381 3.3381 3.3653 3.3653 3.8034 3.8034 4.2252 4.2252 4.5271 4.5271 4.7607 4.7607 4.8669 4.8669 4.9085 4.9085 5.0052 5.0052 5.0396 5.0396 5.1893 5.1893 5.2178 5.2178 5.3537 5.3537 5.4483 5.4483 5.6379 5.6379 5.7086 5.7086 7.1521 7.1521 7.4367 7.4367 8.0516 8.0516 8.6029 8.6029 8.9846 8.9846 9.2197 9.2197 10.7652 10.7652 13.1495 13.1495 13.2995 13.2995 14.9732 14.9732 15.9981 15.9981 16.2236 16.2236 16.4564 16.4564 k = 0.0673 0.0952 0.6124 ( 3806 PWs) bands (ev): 2.4345 2.4345 2.9089 2.9089 3.0275 3.0275 3.1897 3.1897 3.2282 3.2282 3.2848 3.2848 3.3354 3.3354 3.3642 3.3642 3.7932 3.7932 4.2240 4.2240 4.5256 4.5256 4.7678 4.7678 4.8658 4.8658 4.9134 4.9134 5.0051 5.0051 5.0380 5.0380 5.1923 5.1923 5.2293 5.2293 5.3636 5.3636 5.4593 5.4593 5.6324 5.6324 5.6966 5.6966 7.1883 7.1883 7.4944 7.4944 8.0454 8.0454 8.6145 8.6145 8.9857 8.9857 9.2037 9.2037 10.8670 10.8670 12.9994 12.9994 13.1570 13.1570 14.9256 14.9256 16.0018 16.0018 16.1965 16.1965 16.4392 16.4392 k = 0.0577 0.0816 0.6124 ( 3806 PWs) bands (ev): 2.4212 2.4212 2.9056 2.9056 3.0201 3.0201 3.1899 3.1899 3.2249 3.2249 3.2858 3.2858 3.3329 3.3329 3.3632 3.3632 3.7845 3.7845 4.2230 4.2230 4.5243 4.5243 4.7744 4.7744 4.8628 4.8628 4.9195 4.9195 5.0017 5.0017 5.0393 5.0393 5.1948 5.1948 5.2398 5.2398 5.3728 5.3728 5.4700 5.4700 5.6279 5.6279 5.6853 5.6853 7.2183 7.2183 7.5458 7.5458 8.0422 8.0422 8.6266 8.6267 8.9888 8.9888 9.1874 9.1874 10.9711 10.9711 12.8447 12.8447 13.0375 13.0375 14.8835 14.8835 16.0052 16.0052 16.1729 16.1729 16.4247 16.4247 k = 0.0481 0.0680 0.6124 ( 3802 PWs) bands (ev): 2.4098 2.4098 2.9027 2.9027 3.0134 3.0134 3.1898 3.1898 3.2223 3.2223 3.2869 3.2869 3.3306 3.3306 3.3623 3.3623 3.7771 3.7771 4.2222 4.2222 4.5233 4.5233 4.7805 4.7805 4.8591 4.8591 4.9258 4.9258 4.9961 4.9961 5.0421 5.0421 5.1970 5.1970 5.2488 5.2488 5.3809 5.3809 5.4803 5.4803 5.6244 5.6244 5.6748 5.6748 7.2423 7.2423 7.5904 7.5904 8.0413 8.0413 8.6390 8.6390 8.9941 8.9941 9.1707 9.1707 11.0767 11.0767 12.6904 12.6904 12.9386 12.9386 14.8473 14.8473 16.0083 16.0083 16.1527 16.1527 16.4127 16.4127 k = 0.0385 0.0544 0.6124 ( 3808 PWs) bands (ev): 2.4003 2.4003 2.9004 2.9004 3.0077 3.0077 3.1894 3.1894 3.2204 3.2204 3.2879 3.2879 3.3286 3.3286 3.3616 3.3616 3.7712 3.7712 4.2215 4.2215 4.5225 4.5225 4.7859 4.7859 4.8553 4.8553 4.9321 4.9321 4.9898 4.9898 5.0452 5.0452 5.1988 5.1988 5.2563 5.2563 5.3879 5.3879 5.4899 5.4899 5.6216 5.6216 5.6653 5.6653 7.2608 7.2608 7.6275 7.6275 8.0421 8.0421 8.6506 8.6506 9.0013 9.0013 9.1540 9.1540 11.1820 11.1820 12.5420 12.5420 12.8580 12.8580 14.8172 14.8172 16.0108 16.0108 16.1361 16.1361 16.4032 16.4032 k = 0.0288 0.0408 0.6124 ( 3808 PWs) bands (ev): 2.3929 2.3929 2.8985 2.8985 3.0030 3.0030 3.1889 3.1889 3.2191 3.2191 3.2888 3.2888 3.3271 3.3271 3.3610 3.3610 3.7666 3.7666 4.2210 4.2210 4.5219 4.5219 4.7906 4.7906 4.8518 4.8518 4.9381 4.9381 4.9834 4.9834 5.0481 5.0481 5.2002 5.2002 5.2621 5.2621 5.3934 5.3934 5.4984 5.4984 5.6197 5.6197 5.6571 5.6571 7.2743 7.2743 7.6568 7.6568 8.0436 8.0436 8.6609 8.6609 9.0102 9.0102 9.1377 9.1377 11.2839 11.2839 12.4052 12.4052 12.7951 12.7951 14.7936 14.7936 16.0128 16.0128 16.1231 16.1231 16.3960 16.3960 k = 0.0192 0.0272 0.6124 ( 3816 PWs) bands (ev): 2.3876 2.3876 2.8972 2.8972 2.9996 2.9996 3.1884 3.1884 3.2182 3.2182 3.2894 3.2894 3.3259 3.3259 3.3606 3.3606 3.7634 3.7634 4.2207 4.2207 4.5215 4.5215 4.7943 4.7943 4.8489 4.8489 4.9437 4.9437 4.9773 4.9773 5.0503 5.0503 5.2012 5.2012 5.2662 5.2662 5.3975 5.3975 5.5051 5.5051 5.6183 5.6183 5.6507 5.6507 7.2835 7.2835 7.6779 7.6779 8.0453 8.0453 8.6688 8.6688 9.0196 9.0196 9.1229 9.1229 11.3756 11.3756 12.2878 12.2878 12.7498 12.7498 14.7766 14.7766 16.0142 16.0142 16.1137 16.1137 16.3910 16.3910 k = 0.0096 0.0136 0.6124 ( 3824 PWs) bands (ev): 2.3843 2.3843 2.8964 2.8964 2.9975 2.9975 3.1881 3.1881 3.2178 3.2178 3.2899 3.2899 3.3252 3.3252 3.3604 3.3604 3.7614 3.7614 4.2205 4.2205 4.5213 4.5213 4.7967 4.7967 4.8470 4.8470 4.9482 4.9482 4.9724 4.9724 5.0516 5.0516 5.2018 5.2018 5.2686 5.2686 5.4000 5.4000 5.5096 5.5096 5.6176 5.6176 5.6464 5.6464 7.2887 7.2887 7.6907 7.6907 8.0466 8.0466 8.6739 8.6739 9.0276 9.0276 9.1116 9.1116 11.4444 11.4444 12.2034 12.2034 12.7225 12.7225 14.7663 14.7663 16.0151 16.0151 16.1081 16.1081 16.3880 16.3880 k = 0.0000 0.0000 0.6124 ( 3830 PWs) bands (ev): 2.3833 2.3833 2.8961 2.8961 2.9968 2.9968 3.1880 3.1880 3.2176 3.2176 3.2900 3.2900 3.3249 3.3249 3.3603 3.3603 3.7608 3.7608 4.2204 4.2204 4.5212 4.5212 4.7975 4.7975 4.8463 4.8463 4.9502 4.9502 4.9703 4.9703 5.0521 5.0521 5.2020 5.2020 5.2694 5.2694 5.4008 5.4008 5.5111 5.5111 5.6173 5.6173 5.6450 5.6450 7.2904 7.2904 7.6950 7.6950 8.0470 8.0470 8.6757 8.6757 9.0310 9.0310 9.1072 9.1072 11.4710 11.4710 12.1715 12.1715 12.7134 12.7134 14.7628 14.7628 16.0154 16.0154 16.1062 16.1062 16.3870 16.3870 Writing output data file Hg4Pt.save init_run : 0.30s CPU 0.48s WALL ( 1 calls) electrons : 279.30s CPU 282.85s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 279.28s CPU 282.84s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.10s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 243 calls) cegterg : 263.97s CPU 267.02s WALL ( 458 calls) Called by sum_band: Called by *egterg: h_psi : 155.57s CPU 157.69s WALL ( 7566 calls) s_psi : 10.25s CPU 10.13s WALL ( 7566 calls) g_psi : 0.38s CPU 0.36s WALL ( 6865 calls) cdiaghg : 83.20s CPU 84.46s WALL ( 7108 calls) cegterg:over : 11.10s CPU 11.06s WALL ( 6865 calls) cegterg:upda : 8.20s CPU 8.31s WALL ( 6865 calls) cegterg:last : 5.11s CPU 5.16s WALL ( 1430 calls) cdiaghg:chol : 4.74s CPU 4.88s WALL ( 7108 calls) cdiaghg:inve : 3.32s CPU 3.49s WALL ( 7108 calls) cdiaghg:para : 5.94s CPU 5.98s WALL ( 14216 calls) Called by h_psi: h_psi:vloc : 133.94s CPU 135.86s WALL ( 7566 calls) h_psi:vnl : 21.28s CPU 21.46s WALL ( 7566 calls) add_vuspsi : 11.86s CPU 11.88s WALL ( 7566 calls) General routines calbec : 9.40s CPU 9.57s WALL ( 7566 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 123.78s CPU 125.64s WALL ( 1231220 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.18s WALL ( 486 calls) Parallel routines fft_scatter : 40.09s CPU 40.81s WALL ( 1231243 calls) PWSCF : 4m54.99s CPU 5m10.97s WALL This run was terminated on: 19:38:15 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=