Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18: 3:53 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: ./MoF6.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file Mo.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 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 68 42 12 2149 1065 167 Max 70 43 13 2151 1092 170 Sum 2463 1547 451 77413 38823 6051 bravais-lattice index = 14 lattice parameter (alat) = 10.1810 a.u. unit-cell volume = 812.3574 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 2 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 317.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.180982 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 F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Mo read from file: /users/gautes/Pseudo/Mo.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 20113fa3d0a6ce27e798500ceb8a7ae4 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1229 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 F 7.00 18.99840 F( 1.00) Mo 14.00 95.94000 Mo( 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 0.2058824), 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 0.2941177), 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 0.1704546 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 0.2670454), 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: 77413 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 38823 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.29 Mb ( 280, 68) NL pseudopotentials 0.25 Mb ( 140, 118) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2150) G-vector shells 0.00 Mb ( 400) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.16 Mb ( 280, 272) Each subspace H/S matrix 0.07 Mb ( 68, 68) Each matrix 0.24 Mb ( 118, 2, 68) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./MoF6.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.2 secs Computing kpt #: 2 total cpu time spent up to now is 2.6 secs Computing kpt #: 3 total cpu time spent up to now is 3.1 secs Computing kpt #: 4 total cpu time spent up to now is 3.5 secs Computing kpt #: 5 total cpu time spent up to now is 4.0 secs Computing kpt #: 6 total cpu time spent up to now is 4.4 secs Computing kpt #: 7 total cpu time spent up to now is 4.9 secs Computing kpt #: 8 total cpu time spent up to now is 5.3 secs Computing kpt #: 9 total cpu time spent up to now is 5.8 secs Computing kpt #: 10 total cpu time spent up to now is 6.2 secs Computing kpt #: 11 total cpu time spent up to now is 6.7 secs Computing kpt #: 12 total cpu time spent up to now is 7.1 secs Computing kpt #: 13 total cpu time spent up to now is 7.6 secs Computing kpt #: 14 total cpu time spent up to now is 8.0 secs Computing kpt #: 15 total cpu time spent up to now is 8.5 secs Computing kpt #: 16 total cpu time spent up to now is 9.0 secs Computing kpt #: 17 total cpu time spent up to now is 9.5 secs Computing kpt #: 18 total cpu time spent up to now is 9.9 secs Computing kpt #: 19 total cpu time spent up to now is 10.4 secs Computing kpt #: 20 total cpu time spent up to now is 10.8 secs Computing kpt #: 21 total cpu time spent up to now is 11.3 secs Computing kpt #: 22 total cpu time spent up to now is 11.8 secs Computing kpt #: 23 total cpu time spent up to now is 12.2 secs Computing kpt #: 24 total cpu time spent up to now is 12.7 secs Computing kpt #: 25 total cpu time spent up to now is 13.2 secs Computing kpt #: 26 total cpu time spent up to now is 13.7 secs Computing kpt #: 27 total cpu time spent up to now is 14.1 secs Computing kpt #: 28 total cpu time spent up to now is 14.6 secs Computing kpt #: 29 total cpu time spent up to now is 15.1 secs Computing kpt #: 30 total cpu time spent up to now is 15.6 secs Computing kpt #: 31 total cpu time spent up to now is 16.0 secs Computing kpt #: 32 total cpu time spent up to now is 16.5 secs Computing kpt #: 33 total cpu time spent up to now is 17.0 secs Computing kpt #: 34 total cpu time spent up to now is 17.5 secs Computing kpt #: 35 total cpu time spent up to now is 18.0 secs Computing kpt #: 36 total cpu time spent up to now is 18.5 secs Computing kpt #: 37 total cpu time spent up to now is 19.0 secs Computing kpt #: 38 total cpu time spent up to now is 19.5 secs Computing kpt #: 39 total cpu time spent up to now is 20.0 secs Computing kpt #: 40 total cpu time spent up to now is 20.5 secs Computing kpt #: 41 total cpu time spent up to now is 21.0 secs Computing kpt #: 42 total cpu time spent up to now is 21.5 secs Computing kpt #: 43 total cpu time spent up to now is 22.0 secs Computing kpt #: 44 total cpu time spent up to now is 22.6 secs Computing kpt #: 45 total cpu time spent up to now is 23.1 secs Computing kpt #: 46 total cpu time spent up to now is 23.6 secs Computing kpt #: 47 total cpu time spent up to now is 24.3 secs Computing kpt #: 48 total cpu time spent up to now is 25.0 secs Computing kpt #: 49 total cpu time spent up to now is 25.7 secs Computing kpt #: 50 total cpu time spent up to now is 26.7 secs Computing kpt #: 51 total cpu time spent up to now is 27.8 secs Computing kpt #: 52 total cpu time spent up to now is 28.9 secs Computing kpt #: 53 total cpu time spent up to now is 30.0 secs Computing kpt #: 54 total cpu time spent up to now is 31.2 secs Computing kpt #: 55 total cpu time spent up to now is 32.8 secs Computing kpt #: 56 total cpu time spent up to now is 34.3 secs Computing kpt #: 57 total cpu time spent up to now is 35.4 secs Computing kpt #: 58 total cpu time spent up to now is 36.5 secs Computing kpt #: 59 total cpu time spent up to now is 37.8 secs Computing kpt #: 60 total cpu time spent up to now is 38.6 secs Computing kpt #: 61 total cpu time spent up to now is 39.3 secs Computing kpt #: 62 total cpu time spent up to now is 40.0 secs Computing kpt #: 63 total cpu time spent up to now is 40.7 secs Computing kpt #: 64 total cpu time spent up to now is 41.3 secs Computing kpt #: 65 total cpu time spent up to now is 41.9 secs Computing kpt #: 66 total cpu time spent up to now is 42.4 secs Computing kpt #: 67 total cpu time spent up to now is 42.9 secs Computing kpt #: 68 total cpu time spent up to now is 43.5 secs Computing kpt #: 69 total cpu time spent up to now is 44.0 secs Computing kpt #: 70 total cpu time spent up to now is 44.5 secs Computing kpt #: 71 total cpu time spent up to now is 45.1 secs Computing kpt #: 72 total cpu time spent up to now is 45.6 secs Computing kpt #: 73 total cpu time spent up to now is 46.1 secs Computing kpt #: 74 total cpu time spent up to now is 46.7 secs Computing kpt #: 75 total cpu time spent up to now is 47.2 secs Computing kpt #: 76 total cpu time spent up to now is 47.7 secs Computing kpt #: 77 total cpu time spent up to now is 48.2 secs Computing kpt #: 78 total cpu time spent up to now is 48.7 secs Computing kpt #: 79 total cpu time spent up to now is 49.3 secs Computing kpt #: 80 total cpu time spent up to now is 49.8 secs Computing kpt #: 81 total cpu time spent up to now is 50.3 secs Computing kpt #: 82 total cpu time spent up to now is 50.8 secs Computing kpt #: 83 total cpu time spent up to now is 51.4 secs Computing kpt #: 84 total cpu time spent up to now is 51.9 secs Computing kpt #: 85 total cpu time spent up to now is 52.4 secs Computing kpt #: 86 total cpu time spent up to now is 52.9 secs Computing kpt #: 87 total cpu time spent up to now is 53.5 secs Computing kpt #: 88 total cpu time spent up to now is 54.0 secs Computing kpt #: 89 total cpu 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Computing kpt #: 105 total cpu time spent up to now is 62.6 secs Computing kpt #: 106 total cpu time spent up to now is 63.0 secs Computing kpt #: 107 total cpu time spent up to now is 63.5 secs Computing kpt #: 108 total cpu time spent up to now is 64.0 secs Computing kpt #: 109 total cpu time spent up to now is 64.5 secs Computing kpt #: 110 total cpu time spent up to now is 64.9 secs Computing kpt #: 111 total cpu time spent up to now is 65.4 secs Computing kpt #: 112 total cpu time spent up to now is 65.8 secs Computing kpt #: 113 total cpu time spent up to now is 66.3 secs Computing kpt #: 114 total cpu time spent up to now is 66.7 secs Computing kpt #: 115 total cpu time spent up to now is 67.2 secs Computing kpt #: 116 total cpu time spent up to now is 67.6 secs Computing kpt #: 117 total cpu time spent up to now is 68.1 secs Computing kpt #: 118 total cpu time spent up to now is 68.6 secs Computing kpt #: 119 total cpu time spent up to now is 69.0 secs Computing kpt #: 120 total cpu time spent up to now is 69.5 secs Computing kpt #: 121 total cpu time spent up to now is 69.9 secs Computing kpt #: 122 total cpu time spent up to now is 70.4 secs Computing kpt #: 123 total cpu time spent up to now is 70.8 secs Computing kpt #: 124 total cpu time spent up to now is 71.3 secs Computing kpt #: 125 total cpu time spent up to now is 71.7 secs Computing kpt #: 126 total cpu time spent up to now is 72.2 secs Computing kpt #: 127 total cpu time spent up to now is 72.6 secs Computing kpt #: 128 total cpu time spent up to now is 73.1 secs Computing kpt #: 129 total cpu time spent up to now is 73.5 secs Computing kpt #: 130 total cpu time spent up to now is 74.0 secs Computing kpt #: 131 total cpu time spent up to now is 74.4 secs Computing kpt #: 132 total cpu time spent up to now is 74.9 secs Computing kpt #: 133 total cpu time spent up to now is 75.3 secs Computing kpt #: 134 total cpu time spent up to now is 75.8 secs Computing kpt #: 135 total cpu time spent up to now is 76.2 secs Computing kpt #: 136 total cpu time spent up to now is 76.7 secs Computing kpt #: 137 total cpu time spent up to now is 77.1 secs Computing kpt #: 138 total cpu time spent up to now is 77.6 secs Computing kpt #: 139 total cpu time spent up to now is 78.0 secs Computing kpt #: 140 total cpu time spent up to now is 78.5 secs Computing kpt #: 141 total cpu time spent up to now is 79.0 secs Computing kpt #: 142 total cpu time spent up to now is 79.4 secs Computing kpt #: 143 total cpu time spent up to now is 79.9 secs Computing kpt #: 144 total cpu time spent up to now is 80.4 secs Computing kpt #: 145 total cpu time spent up to now is 80.8 secs Computing kpt #: 146 total cpu time spent up to now is 81.3 secs Computing kpt #: 147 total cpu time spent up to now is 81.8 secs Computing kpt #: 148 total cpu time spent up to now is 82.3 secs Computing kpt #: 149 total cpu time spent up to now is 82.8 secs Computing kpt #: 150 total cpu time spent up to now is 83.2 secs Computing kpt #: 151 total cpu time spent up to now is 83.7 secs Computing kpt #: 152 total cpu time spent up to now is 84.2 secs Computing kpt #: 153 total cpu time spent up to now is 84.7 secs Computing kpt #: 154 total cpu time spent up to now is 85.2 secs Computing kpt #: 155 total cpu time spent up to now is 85.7 secs Computing kpt #: 156 total cpu time spent up to now is 86.2 secs Computing kpt #: 157 total cpu time spent up to now is 86.8 secs Computing kpt #: 158 total cpu time spent up to now is 87.3 secs Computing kpt #: 159 total cpu time spent up to now is 87.8 secs Computing kpt #: 160 total cpu time spent up to now is 88.3 secs Computing kpt #: 161 total cpu time spent up to now is 88.8 secs Computing kpt #: 162 total cpu time spent up to now is 89.4 secs Computing kpt #: 163 total cpu time spent up to now is 89.9 secs Computing kpt #: 164 total cpu time spent up to now is 90.4 secs Computing kpt #: 165 total cpu time spent up to now is 91.0 secs Computing kpt #: 166 total cpu time spent up to now is 91.5 secs Computing kpt #: 167 total cpu time spent up to now is 92.0 secs Computing kpt #: 168 total cpu time spent up to now is 92.6 secs Computing kpt #: 169 total cpu time spent up to now is 93.3 secs Computing kpt #: 170 total cpu time spent up to now is 93.8 secs Computing kpt #: 171 total cpu time spent up to now is 94.4 secs Computing kpt #: 172 total cpu time spent up to now is 94.9 secs Computing kpt #: 173 total cpu time spent up to now is 95.6 secs Computing kpt #: 174 total cpu time spent up to now is 96.2 secs Computing kpt #: 175 total cpu time spent up to now is 96.7 secs Computing kpt #: 176 total cpu time spent up to now is 97.3 secs Computing kpt #: 177 total cpu time spent up to now is 97.8 secs Computing kpt #: 178 total cpu time spent up to now is 98.4 secs Computing kpt #: 179 total cpu time spent up to now is 98.9 secs Computing kpt #: 180 total cpu time spent up to now is 99.4 secs Computing kpt #: 181 total cpu time spent up to now is 99.9 secs Computing kpt #: 182 total cpu time spent up to now is 100.5 secs Computing kpt #: 183 total cpu time spent up to now is 101.0 secs Computing kpt #: 184 total cpu time spent up to now is 101.5 secs Computing kpt #: 185 total cpu time spent up to now is 102.0 secs Computing kpt #: 186 total cpu time spent up to now is 102.6 secs Computing kpt #: 187 total cpu time spent up to now is 103.1 secs Computing kpt #: 188 total cpu time spent up to now is 103.6 secs Computing kpt #: 189 total cpu time spent up to now is 104.1 secs Computing kpt #: 190 total cpu time spent up to now is 104.7 secs Computing kpt #: 191 total cpu time spent up to now is 105.2 secs Computing kpt #: 192 total cpu time spent up to now is 105.7 secs Computing kpt #: 193 total cpu time spent up to now is 106.3 secs Computing kpt #: 194 total cpu time spent up to now is 106.8 secs Computing kpt #: 195 total cpu time spent up to now is 107.3 secs Computing kpt #: 196 total cpu time spent up to now is 107.9 secs Computing kpt #: 197 total cpu time spent up to now is 108.4 secs Computing kpt #: 198 total cpu time spent up to now is 108.9 secs Computing kpt #: 199 total cpu time spent up to now is 109.5 secs Computing kpt #: 200 total cpu time spent up to now is 110.0 secs Computing kpt #: 201 total cpu time spent up to now is 110.5 secs Computing kpt #: 202 total cpu time spent up to now is 111.1 secs Computing kpt #: 203 total cpu time spent up to now is 111.6 secs Computing kpt #: 204 total cpu time spent up to now is 112.3 secs Computing kpt #: 205 total cpu time spent up to now is 113.0 secs Computing kpt #: 206 total cpu time spent up to now is 113.7 secs Computing kpt #: 207 total cpu time spent up to now is 114.5 secs Computing kpt #: 208 total cpu time spent up to now is 115.3 secs Computing kpt #: 209 total cpu time spent up to now is 116.1 secs Computing kpt #: 210 total cpu time spent up to now is 116.9 secs Computing kpt #: 211 total cpu time spent up to now is 117.7 secs Computing kpt #: 212 total cpu time spent up to now is 118.6 secs Computing kpt #: 213 total cpu time spent up to now is 119.6 secs Computing kpt #: 214 total cpu time spent up to now is 120.7 secs Computing kpt #: 215 total cpu time spent up to now is 121.9 secs Computing kpt #: 216 total cpu time spent up to now is 123.0 secs Computing kpt #: 217 total cpu time spent up to now is 123.5 secs Computing kpt #: 218 total cpu time spent up to now is 124.1 secs Computing kpt #: 219 total cpu time spent up to now is 124.8 secs Computing kpt #: 220 total cpu time spent up to now is 125.4 secs Computing kpt #: 221 total cpu time spent up to now is 126.0 secs Computing kpt #: 222 total cpu time spent up to now is 126.6 secs Computing kpt #: 223 total cpu time spent up to now is 127.2 secs Computing kpt #: 224 total cpu time spent up to now is 127.8 secs Computing kpt #: 225 total cpu time spent up to now is 128.3 secs Computing kpt #: 226 total cpu time spent up to now is 128.9 secs Computing kpt #: 227 total cpu time spent up to now is 129.4 secs Computing kpt #: 228 total cpu time spent up to now is 130.0 secs Computing kpt #: 229 total cpu time spent up to now is 130.5 secs Computing kpt #: 230 total cpu time spent up to now is 131.1 secs Computing kpt #: 231 total cpu time spent up to now is 131.6 secs Computing kpt #: 232 total cpu time spent up to now is 132.2 secs Computing kpt #: 233 total cpu time spent up to now is 132.8 secs Computing kpt #: 234 total cpu time spent up to now is 133.4 secs Computing kpt #: 235 total cpu time spent up to now is 133.9 secs Computing kpt #: 236 total cpu time spent up to now is 134.4 secs Computing kpt #: 237 total cpu time spent up to now is 135.0 secs Computing kpt #: 238 total cpu time spent up to now is 135.5 secs Computing kpt #: 239 total cpu time spent up to now is 136.0 secs Computing kpt #: 240 total cpu time spent up to now is 136.6 secs Computing kpt #: 241 total cpu time spent up to now is 137.1 secs Computing kpt #: 242 total cpu time spent up to now is 137.6 secs Computing kpt #: 243 total cpu time spent up to now is 138.1 secs ethr = 1.79E-08, avg # of iterations = 17.5 total cpu time spent up to now is 138.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4897 PWs) bands (ev): -62.9002 -62.9002 -38.8834 -38.8834 -36.4775 -36.4775 -36.4775 -36.4775 -22.6989 -22.6989 -22.6746 -22.6746 -22.6745 -22.6745 -21.6287 -21.6287 -21.4594 -21.4594 -21.4594 -21.4594 -6.4665 -6.4665 -6.4664 -6.4664 -5.6029 -5.6029 -5.6029 -5.6029 -5.5511 -5.5511 -5.0019 -5.0019 -3.4352 -3.4352 -3.3572 -3.3572 -3.3572 -3.3572 -3.2259 -3.2259 -3.2259 -3.2259 -3.2009 -3.2009 -2.6031 -2.6031 -2.4822 -2.4822 -2.4821 -2.4821 -2.2501 -2.2501 -2.2171 -2.2171 -2.2170 -2.2170 2.4365 2.4365 2.4365 2.4365 2.5900 2.5900 6.9608 6.9608 7.2656 7.2656 7.2656 7.2656 k = 0.0098-0.0069 0.0120 ( 4897 PWs) bands (ev): -62.9002 -62.9002 -38.8834 -38.8834 -36.4775 -36.4775 -36.4775 -36.4775 -22.6987 -22.6987 -22.6746 -22.6746 -22.6744 -22.6744 -21.6288 -21.6288 -21.4597 -21.4597 -21.4594 -21.4594 -6.4665 -6.4665 -6.4653 -6.4653 -5.6030 -5.6030 -5.6029 -5.6029 -5.5511 -5.5511 -5.0012 -5.0012 -3.4355 -3.4355 -3.3575 -3.3575 -3.3572 -3.3572 -3.2255 -3.2255 -3.2254 -3.2254 -3.2005 -3.2005 -2.6040 -2.6040 -2.4838 -2.4838 -2.4822 -2.4822 -2.2502 -2.2502 -2.2173 -2.2173 -2.2172 -2.2172 2.4363 2.4363 2.4364 2.4364 2.5899 2.5899 6.9630 6.9630 7.2654 7.2654 7.2671 7.2671 k = 0.0196-0.0139 0.0240 ( 4897 PWs) bands (ev): -62.9002 -62.9002 -38.8834 -38.8834 -36.4775 -36.4775 -36.4775 -36.4775 -22.6983 -22.6983 -22.6746 -22.6746 -22.6737 -22.6737 -21.6293 -21.6293 -21.4606 -21.4606 -21.4594 -21.4594 -6.4667 -6.4667 -6.4617 -6.4617 -5.6033 -5.6033 -5.6028 -5.6028 -5.5512 -5.5512 -4.9991 -4.9991 -3.4363 -3.4363 -3.3586 -3.3586 -3.3575 -3.3575 -3.2243 -3.2243 -3.2241 -3.2241 -3.1991 -3.1991 -2.6065 -2.6065 -2.4885 -2.4885 -2.4823 -2.4823 -2.2508 -2.2508 -2.2181 -2.2181 -2.2175 -2.2175 2.4356 2.4356 2.4362 2.4362 2.5894 2.5894 6.9693 6.9693 7.2648 7.2648 7.2715 7.2715 k = 0.0294-0.0208 0.0360 ( 4877 PWs) bands (ev): -62.9000 -62.9000 -38.8834 -38.8834 -36.4775 -36.4775 -36.4775 -36.4775 -22.6975 -22.6975 -22.6747 -22.6747 -22.6726 -22.6726 -21.6300 -21.6300 -21.4620 -21.4620 -21.4594 -21.4594 -6.4670 -6.4670 -6.4558 -6.4558 -5.6037 -5.6037 -5.6026 -5.6026 -5.5513 -5.5513 -4.9956 -4.9956 -3.4378 -3.4378 -3.3605 -3.3605 -3.3580 -3.3580 -3.2223 -3.2223 -3.2218 -3.2218 -3.1968 -3.1968 -2.6112 -2.6112 -2.4960 -2.4960 -2.4825 -2.4825 -2.2518 -2.2518 -2.2194 -2.2194 -2.2181 -2.2181 2.4346 2.4346 2.4358 2.4358 2.5887 2.5887 6.9799 6.9799 7.2638 7.2638 7.2788 7.2788 k = 0.0392-0.0277 0.0480 ( 4861 PWs) bands (ev): -62.8999 -62.8999 -38.8834 -38.8834 -36.4775 -36.4775 -36.4775 -36.4775 -22.6966 -22.6966 -22.6748 -22.6748 -22.6710 -22.6710 -21.6310 -21.6310 -21.4640 -21.4640 -21.4594 -21.4594 -6.4675 -6.4675 -6.4478 -6.4478 -5.6043 -5.6043 -5.6024 -5.6024 -5.5515 -5.5515 -4.9906 -4.9906 -3.4400 -3.4400 -3.3630 -3.3630 -3.3587 -3.3587 -3.2196 -3.2196 -3.2186 -3.2186 -3.1935 -3.1935 -2.6185 -2.6185 -2.5053 -2.5053 -2.4828 -2.4828 -2.2531 -2.2531 -2.2213 -2.2213 -2.2188 -2.2188 2.4331 2.4331 2.4353 2.4353 2.5877 2.5877 6.9944 6.9944 7.2623 7.2623 7.2891 7.2891 k = 0.0490-0.0347 0.0600 ( 4861 PWs) bands (ev): -62.8999 -62.8999 -38.8834 -38.8834 -36.4775 -36.4775 -36.4775 -36.4775 -22.6955 -22.6955 -22.6750 -22.6750 -22.6689 -22.6689 -21.6323 -21.6323 -21.4665 -21.4665 -21.4595 -21.4595 -6.4680 -6.4680 -6.4376 -6.4376 -5.6051 -5.6051 -5.6022 -5.6022 -5.5517 -5.5517 -4.9842 -4.9842 -3.4430 -3.4430 -3.3661 -3.3661 -3.3596 -3.3596 -3.2163 -3.2163 -3.2145 -3.2145 -3.1892 -3.1892 -2.6295 -2.6295 -2.5154 -2.5154 -2.4832 -2.4832 -2.2549 -2.2549 -2.2236 -2.2236 -2.2197 -2.2197 2.4312 2.4312 2.4346 2.4346 2.5865 2.5865 7.0127 7.0127 7.2605 7.2605 7.3024 7.3024 k = 0.0588-0.0416 0.0720 ( 4857 PWs) bands (ev): -62.8999 -62.8999 -38.8834 -38.8834 -36.4775 -36.4775 -36.4775 -36.4775 -22.6943 -22.6943 -22.6753 -22.6753 -22.6662 -22.6662 -21.6340 -21.6340 -21.4694 -21.4694 -21.4595 -21.4595 -6.4687 -6.4687 -6.4255 -6.4255 -5.6060 -5.6060 -5.6019 -5.6019 -5.5519 -5.5519 -4.9763 -4.9763 -3.4471 -3.4471 -3.3699 -3.3699 -3.3607 -3.3607 -3.2125 -3.2125 -3.2094 -3.2094 -3.1839 -3.1839 -2.6449 -2.6449 -2.5252 -2.5252 -2.4836 -2.4836 -2.2571 -2.2571 -2.2264 -2.2264 -2.2207 -2.2207 2.4290 2.4290 2.4338 2.4338 2.5850 2.5850 7.0344 7.0344 7.2583 7.2583 7.3188 7.3188 k = 0.0686-0.0485 0.0841 ( 4873 PWs) bands (ev): -62.9000 -62.9000 -38.8834 -38.8834 -36.4776 -36.4776 -36.4775 -36.4775 -22.6932 -22.6932 -22.6756 -22.6756 -22.6629 -22.6629 -21.6359 -21.6359 -21.4726 -21.4726 -21.4595 -21.4595 -6.4695 -6.4695 -6.4115 -6.4115 -5.6070 -5.6070 -5.6016 -5.6016 -5.5521 -5.5521 -4.9668 -4.9668 -3.4524 -3.4524 -3.3741 -3.3741 -3.3622 -3.3622 -3.2082 -3.2082 -3.2034 -3.2034 -3.1775 -3.1775 -2.6653 -2.6653 -2.5339 -2.5339 -2.4842 -2.4842 -2.2597 -2.2597 -2.2297 -2.2297 -2.2219 -2.2219 2.4264 2.4264 2.4329 2.4329 2.5833 2.5833 7.0592 7.0592 7.2556 7.2556 7.3383 7.3383 k = 0.0784-0.0555 0.0961 ( 4869 PWs) bands (ev): -62.9000 -62.9000 -38.8834 -38.8834 -36.4776 -36.4776 -36.4775 -36.4775 -22.6920 -22.6920 -22.6759 -22.6759 -22.6591 -22.6591 -21.6382 -21.6382 -21.4762 -21.4762 -21.4595 -21.4595 -6.4704 -6.4704 -6.3960 -6.3960 -5.6081 -5.6081 -5.6013 -5.6013 -5.5521 -5.5521 -4.9558 -4.9558 -3.4591 -3.4591 -3.3786 -3.3786 -3.3639 -3.3639 -3.2034 -3.2034 -3.1964 -3.1964 -3.1700 -3.1700 -2.6907 -2.6907 -2.5409 -2.5409 -2.4848 -2.4848 -2.2628 -2.2628 -2.2334 -2.2334 -2.2231 -2.2231 2.4236 2.4236 2.4318 2.4318 2.5814 2.5814 7.0867 7.0867 7.2526 7.2526 7.3612 7.3612 k = 0.0882-0.0624 0.1081 ( 4877 PWs) bands (ev): -62.9001 -62.9001 -38.8834 -38.8834 -36.4776 -36.4776 -36.4775 -36.4775 -22.6910 -22.6910 -22.6762 -22.6762 -22.6546 -22.6546 -21.6409 -21.6409 -21.4800 -21.4800 -21.4596 -21.4596 -6.4715 -6.4715 -6.3791 -6.3791 -5.6092 -5.6092 -5.6010 -5.6010 -5.5521 -5.5521 -4.9431 -4.9431 -3.4675 -3.4675 -3.3834 -3.3834 -3.3660 -3.3660 -3.1982 -3.1982 -3.1885 -3.1885 -3.1616 -3.1616 -2.7205 -2.7205 -2.5465 -2.5465 -2.4855 -2.4855 -2.2663 -2.2663 -2.2375 -2.2375 -2.2243 -2.2243 2.4205 2.4205 2.4306 2.4306 2.5795 2.5795 7.1163 7.1163 7.2492 7.2492 7.3875 7.3875 k = 0.0980-0.0693 0.1201 ( 4873 PWs) bands (ev): -62.9000 -62.9000 -38.8834 -38.8834 -36.4776 -36.4776 -36.4775 -36.4775 -22.6899 -22.6899 -22.6766 -22.6766 -22.6497 -22.6497 -21.6438 -21.6438 -21.4839 -21.4839 -21.4596 -21.4596 -6.4726 -6.4726 -6.3611 -6.3611 -5.6103 -5.6103 -5.6007 -5.6007 -5.5520 -5.5520 -4.9286 -4.9286 -3.4777 -3.4777 -3.3884 -3.3884 -3.3684 -3.3684 -3.1927 -3.1927 -3.1797 -3.1797 -3.1523 -3.1523 -2.7539 -2.7539 -2.5509 -2.5509 -2.4864 -2.4864 -2.2701 -2.2701 -2.2420 -2.2420 -2.2256 -2.2256 2.4173 2.4173 2.4293 2.4293 2.5774 2.5774 7.1473 7.1473 7.2454 7.2454 7.4176 7.4176 k = 0.1078-0.0763 0.1321 ( 4869 PWs) bands (ev): -62.9000 -62.9000 -38.8834 -38.8834 -36.4776 -36.4776 -36.4775 -36.4775 -22.6889 -22.6889 -22.6770 -22.6770 -22.6444 -22.6444 -21.6471 -21.6471 -21.4879 -21.4879 -21.4597 -21.4597 -6.4738 -6.4738 -6.3423 -6.3423 -5.6114 -5.6114 -5.6003 -5.6003 -5.5516 -5.5516 -4.9125 -4.9125 -3.4900 -3.4900 -3.3935 -3.3935 -3.3712 -3.3712 -3.1867 -3.1867 -3.1702 -3.1702 -3.1420 -3.1420 -2.7900 -2.7900 -2.5545 -2.5545 -2.4873 -2.4873 -2.2743 -2.2743 -2.2467 -2.2467 -2.2269 -2.2269 2.4139 2.4139 2.4279 2.4279 2.5753 2.5753 7.1790 7.1790 7.2412 7.2412 7.4518 7.4518 k = 0.1176-0.0832 0.1441 ( 4865 PWs) bands (ev): -62.9000 -62.9000 -38.8834 -38.8834 -36.4776 -36.4776 -36.4775 -36.4775 -22.6880 -22.6880 -22.6775 -22.6775 -22.6387 -22.6387 -21.6507 -21.6507 -21.4919 -21.4919 -21.4597 -21.4597 -6.4751 -6.4751 -6.3230 -6.3230 -5.6125 -5.6125 -5.6000 -5.6000 -5.5511 -5.5511 -4.8946 -4.8946 -3.5043 -3.5043 -3.3987 -3.3987 -3.3743 -3.3743 -3.1804 -3.1804 -3.1599 -3.1599 -3.1311 -3.1311 -2.8282 -2.8282 -2.5576 -2.5576 -2.4882 -2.4882 -2.2788 -2.2788 -2.2517 -2.2517 -2.2282 -2.2282 2.4104 2.4104 2.4264 2.4264 2.5731 2.5731 7.2109 7.2109 7.2367 7.2367 7.4903 7.4903 k = 0.1275-0.0901 0.1561 ( 4849 PWs) bands (ev): -62.8999 -62.8999 -38.8834 -38.8834 -36.4776 -36.4776 -36.4775 -36.4775 -22.6871 -22.6871 -22.6780 -22.6780 -22.6329 -22.6329 -21.6545 -21.6545 -21.4958 -21.4958 -21.4598 -21.4598 -6.4765 -6.4765 -6.3035 -6.3035 -5.6134 -5.6134 -5.5996 -5.5996 -5.5503 -5.5503 -4.8749 -4.8749 -3.5207 -3.5207 -3.4040 -3.4040 -3.3778 -3.3778 -3.1737 -3.1737 -3.1490 -3.1490 -3.1195 -3.1195 -2.8675 -2.8675 -2.5602 -2.5602 -2.4893 -2.4893 -2.2836 -2.2836 -2.2569 -2.2569 -2.2295 -2.2295 2.4068 2.4068 2.4249 2.4249 2.5710 2.5710 7.2318 7.2318 7.2421 7.2421 7.5334 7.5334 k = 0.1373-0.0971 0.1681 ( 4857 PWs) bands (ev): -62.8999 -62.8999 -38.8834 -38.8834 -36.4777 -36.4777 -36.4775 -36.4775 -22.6862 -22.6862 -22.6785 -22.6785 -22.6269 -22.6269 -21.6586 -21.6586 -21.4995 -21.4995 -21.4598 -21.4598 -6.4780 -6.4780 -6.2841 -6.2841 -5.6143 -5.6143 -5.5992 -5.5992 -5.5494 -5.5494 -4.8536 -4.8536 -3.5393 -3.5393 -3.4094 -3.4094 -3.3818 -3.3818 -3.1667 -3.1667 -3.1375 -3.1375 -3.1075 -3.1075 -2.9072 -2.9072 -2.5626 -2.5626 -2.4905 -2.4905 -2.2885 -2.2885 -2.2623 -2.2623 -2.2308 -2.2308 2.4033 2.4033 2.4233 2.4233 2.5689 2.5689 7.2266 7.2266 7.2722 7.2722 7.5811 7.5811 k = 0.1471-0.1040 0.1801 ( 4849 PWs) bands (ev): -62.8999 -62.8999 -38.8834 -38.8834 -36.4777 -36.4777 -36.4775 -36.4775 -22.6853 -22.6853 -22.6791 -22.6791 -22.6208 -22.6208 -21.6628 -21.6628 -21.5030 -21.5030 -21.4599 -21.4599 -6.4796 -6.4796 -6.2651 -6.2651 -5.6149 -5.6149 -5.5988 -5.5988 -5.5482 -5.5482 -4.8307 -4.8307 -3.5599 -3.5599 -3.4151 -3.4151 -3.3861 -3.3861 -3.1593 -3.1593 -3.1256 -3.1256 -3.0950 -3.0950 -2.9467 -2.9467 -2.5648 -2.5648 -2.4918 -2.4918 -2.2936 -2.2936 -2.2676 -2.2676 -2.2321 -2.2321 2.3998 2.3998 2.4217 2.4217 2.5670 2.5670 7.2211 7.2211 7.3006 7.3006 7.6336 7.6336 k = 0.1569-0.1109 0.1921 ( 4849 PWs) bands (ev): -62.8999 -62.8999 -38.8834 -38.8834 -36.4777 -36.4777 -36.4775 -36.4775 -22.6845 -22.6845 -22.6797 -22.6797 -22.6148 -22.6148 -21.6671 -21.6671 -21.5063 -21.5063 -21.4600 -21.4600 -6.4812 -6.4812 -6.2469 -6.2469 -5.6154 -5.6154 -5.5982 -5.5982 -5.5468 -5.5468 -4.8064 -4.8064 -3.5824 -3.5824 -3.4210 -3.4210 -3.3909 -3.3909 -3.1516 -3.1516 -3.1134 -3.1134 -3.0822 -3.0822 -2.9852 -2.9852 -2.5670 -2.5670 -2.4933 -2.4933 -2.2987 -2.2987 -2.2730 -2.2730 -2.2335 -2.2335 2.3965 2.3965 2.4201 2.4201 2.5651 2.5651 7.2152 7.2152 7.3272 7.3272 7.6905 7.6905 k = 0.1667-0.1179 0.2041 ( 4865 PWs) bands (ev): -62.9000 -62.9000 -38.8835 -38.8835 -36.4777 -36.4777 -36.4775 -36.4775 -22.6836 -22.6836 -22.6803 -22.6803 -22.6091 -22.6091 -21.6715 -21.6715 -21.5093 -21.5093 -21.4601 -21.4601 -6.4829 -6.4829 -6.2298 -6.2298 -5.6157 -5.6157 -5.5976 -5.5976 -5.5452 -5.5452 -4.7810 -4.7810 -3.6065 -3.6065 -3.4272 -3.4272 -3.3962 -3.3962 -3.1437 -3.1437 -3.1010 -3.1010 -3.0693 -3.0693 -3.0222 -3.0222 -2.5691 -2.5691 -2.4948 -2.4948 -2.3038 -2.3038 -2.2784 -2.2784 -2.2348 -2.2348 2.3933 2.3933 2.4186 2.4186 2.5633 2.5633 7.2091 7.2091 7.3515 7.3515 7.7518 7.7518 k = 0.1765-0.1248 0.2161 ( 4853 PWs) bands (ev): -62.8999 -62.8999 -38.8834 -38.8834 -36.4777 -36.4777 -36.4775 -36.4775 -22.6828 -22.6828 -22.6809 -22.6809 -22.6035 -22.6035 -21.6757 -21.6757 -21.5120 -21.5120 -21.4601 -21.4601 -6.4847 -6.4847 -6.2141 -6.2141 -5.6156 -5.6156 -5.5967 -5.5967 -5.5434 -5.5434 -4.7547 -4.7547 -3.6316 -3.6316 -3.4337 -3.4337 -3.4019 -3.4019 -3.1354 -3.1354 -3.0885 -3.0885 -3.0572 -3.0572 -3.0563 -3.0563 -2.5712 -2.5712 -2.4965 -2.4965 -2.3087 -2.3087 -2.2836 -2.2836 -2.2361 -2.2361 2.3903 2.3903 2.4171 2.4171 2.5617 2.5617 7.2027 7.2027 7.3736 7.3736 7.8172 7.8172 k = 0.1863-0.1317 0.2281 ( 4861 PWs) bands (ev): -62.9000 -62.9000 -38.8835 -38.8835 -36.4778 -36.4778 -36.4775 -36.4775 -22.6820 -22.6820 -22.6815 -22.6815 -22.5984 -22.5984 -21.6797 -21.6797 -21.5143 -21.5143 -21.4602 -21.4602 -6.4865 -6.4865 -6.2000 -6.2000 -5.6153 -5.6153 -5.5958 -5.5958 -5.5414 -5.5414 -4.7282 -4.7282 -3.6573 -3.6573 -3.4405 -3.4405 -3.4081 -3.4081 -3.1269 -3.1269 -3.0902 -3.0902 -3.0756 -3.0756 -3.0435 -3.0435 -2.5733 -2.5733 -2.4982 -2.4982 -2.3135 -2.3135 -2.2885 -2.2885 -2.2375 -2.2375 2.3876 2.3876 2.4157 2.4157 2.5603 2.5603 7.1960 7.1960 7.3932 7.3932 7.8865 7.8865 k = 0.1961-0.1386 0.2401 ( 4873 PWs) bands (ev): -62.9000 -62.9000 -38.8835 -38.8835 -36.4778 -36.4778 -36.4775 -36.4775 -22.6822 -22.6822 -22.6812 -22.6812 -22.5937 -22.5937 -21.6834 -21.6834 -21.5164 -21.5164 -21.4603 -21.4603 -6.4883 -6.4883 -6.1879 -6.1879 -5.6147 -5.6147 -5.5946 -5.5946 -5.5392 -5.5392 -4.7021 -4.7021 -3.6827 -3.6827 -3.4478 -3.4478 -3.4148 -3.4148 -3.1201 -3.1201 -3.1181 -3.1181 -3.0633 -3.0633 -3.0308 -3.0308 -2.5755 -2.5755 -2.5001 -2.5001 -2.3180 -2.3180 -2.2931 -2.2931 -2.2388 -2.2388 2.3853 2.3853 2.4145 2.4145 2.5590 2.5590 7.1891 7.1891 7.4103 7.4103 7.9592 7.9592 k = 0.2059-0.1456 0.2522 ( 4873 PWs) bands (ev): -62.9000 -62.9000 -38.8835 -38.8835 -36.4778 -36.4778 -36.4776 -36.4776 -22.6829 -22.6829 -22.6803 -22.6803 -22.5897 -22.5897 -21.6867 -21.6867 -21.5181 -21.5181 -21.4604 -21.4604 -6.4902 -6.4902 -6.1778 -6.1778 -5.6138 -5.6138 -5.5931 -5.5931 -5.5369 -5.5369 -4.6771 -4.6771 -3.7068 -3.7068 -3.4555 -3.4555 -3.4219 -3.4219 -3.1473 -3.1473 -3.1092 -3.1092 -3.0511 -3.0511 -3.0183 -3.0183 -2.5777 -2.5777 -2.5022 -2.5022 -2.3221 -2.3221 -2.2973 -2.2973 -2.2402 -2.2402 2.3832 2.3832 2.4134 2.4134 2.5579 2.5579 7.1820 7.1820 7.4246 7.4246 8.0354 8.0354 k = 0.2157-0.1525 0.2642 ( 4869 PWs) bands (ev): -62.9000 -62.9000 -38.8835 -38.8835 -36.4778 -36.4778 -36.4776 -36.4776 -22.6835 -22.6835 -22.6795 -22.6795 -22.5862 -22.5862 -21.6894 -21.6894 -21.5195 -21.5195 -21.4605 -21.4605 -6.4920 -6.4920 -6.1700 -6.1700 -5.6125 -5.6125 -5.5915 -5.5915 -5.5344 -5.5344 -4.6541 -4.6541 -3.7286 -3.7286 -3.4635 -3.4635 -3.4295 -3.4295 -3.1715 -3.1715 -3.1001 -3.1001 -3.0392 -3.0392 -3.0063 -3.0063 -2.5800 -2.5800 -2.5043 -2.5043 -2.3258 -2.3258 -2.3011 -2.3011 -2.2415 -2.2415 2.3815 2.3815 2.4125 2.4125 2.5570 2.5570 7.1747 7.1747 7.4361 7.4361 8.1146 8.1146 k = 0.2255-0.1594 0.2762 ( 4869 PWs) bands (ev): -62.9000 -62.9000 -38.8835 -38.8835 -36.4778 -36.4778 -36.4776 -36.4776 -22.6842 -22.6842 -22.6788 -22.6788 -22.5835 -22.5835 -21.6916 -21.6916 -21.5205 -21.5205 -21.4605 -21.4605 -6.4939 -6.4939 -6.1646 -6.1646 -5.6109 -5.6109 -5.5895 -5.5895 -5.5318 -5.5318 -4.6342 -4.6342 -3.7468 -3.7468 -3.4719 -3.4719 -3.4377 -3.4377 -3.1925 -3.1925 -3.0909 -3.0909 -3.0277 -3.0277 -2.9948 -2.9948 -2.5824 -2.5824 -2.5065 -2.5065 -2.3291 -2.3291 -2.3044 -2.3044 -2.2428 -2.2428 2.3802 2.3802 2.4118 2.4118 2.5564 2.5564 7.1672 7.1672 7.4447 7.4447 8.1968 8.1968 k = 0.2353-0.1664 0.2882 ( 4861 PWs) bands (ev): -62.9000 -62.9000 -38.8835 -38.8835 -36.4778 -36.4778 -36.4776 -36.4776 -22.6849 -22.6849 -22.6780 -22.6780 -22.5815 -22.5815 -21.6932 -21.6932 -21.5212 -21.5212 -21.4606 -21.4606 -6.4958 -6.4958 -6.1618 -6.1618 -5.6089 -5.6089 -5.5873 -5.5873 -5.5290 -5.5290 -4.6183 -4.6183 -3.7606 -3.7606 -3.4808 -3.4808 -3.4463 -3.4463 -3.2102 -3.2102 -3.0816 -3.0816 -3.0167 -3.0167 -2.9838 -2.9838 -2.5849 -2.5849 -2.5089 -2.5089 -2.3317 -2.3317 -2.3071 -2.3071 -2.2441 -2.2441 2.3794 2.3794 2.4114 2.4114 2.5559 2.5559 7.1596 7.1596 7.4502 7.4502 8.2818 8.2818 k = 0.2451-0.1733 0.3002 ( 4829 PWs) bands (ev): -62.8997 -62.8997 -38.8834 -38.8834 -36.4778 -36.4778 -36.4775 -36.4775 -22.6856 -22.6856 -22.6773 -22.6773 -22.5803 -22.5803 -21.6940 -21.6940 -21.5216 -21.5216 -21.4607 -21.4607 -6.4977 -6.4977 -6.1615 -6.1615 -5.6065 -5.6065 -5.5848 -5.5848 -5.5262 -5.5262 -4.6073 -4.6073 -3.7690 -3.7690 -3.4900 -3.4900 -3.4555 -3.4555 -3.2244 -3.2244 -3.0723 -3.0723 -3.0062 -3.0062 -2.9734 -2.9734 -2.5874 -2.5874 -2.5112 -2.5112 -2.3338 -2.3338 -2.3091 -2.3091 -2.2454 -2.2454 2.3789 2.3789 2.4111 2.4111 2.5556 2.5556 7.1518 7.1518 7.4527 7.4527 8.3693 8.3693 k = 0.2549-0.1802 0.3122 ( 4829 PWs) bands (ev): -62.8997 -62.8997 -38.8834 -38.8834 -36.4778 -36.4778 -36.4775 -36.4775 -22.6863 -22.6863 -22.6766 -22.6766 -22.5799 -22.5799 -21.6941 -21.6941 -21.5217 -21.5217 -21.4608 -21.4608 -6.4996 -6.4996 -6.1638 -6.1638 -5.6038 -5.6038 -5.5820 -5.5820 -5.5232 -5.5232 -4.6017 -4.6017 -3.7719 -3.7719 -3.4996 -3.4996 -3.4651 -3.4651 -3.2349 -3.2349 -3.0629 -3.0629 -2.9964 -2.9964 -2.9637 -2.9637 -2.5899 -2.5899 -2.5136 -2.5136 -2.3353 -2.3353 -2.3106 -2.3106 -2.2467 -2.2467 2.3789 2.3789 2.4111 2.4111 2.5556 2.5556 7.1440 7.1440 7.4520 7.4520 8.4594 8.4594 k = 0.2647-0.1872 0.3242 ( 4845 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4778 -36.4778 -36.4775 -36.4775 -22.6870 -22.6870 -22.6759 -22.6759 -22.5804 -22.5804 -21.6935 -21.6935 -21.5215 -21.5215 -21.4609 -21.4609 -6.5015 -6.5015 -6.1688 -6.1688 -5.6007 -5.6007 -5.5790 -5.5790 -5.5202 -5.5202 -4.6016 -4.6016 -3.7694 -3.7694 -3.5096 -3.5096 -3.4751 -3.4751 -3.2412 -3.2412 -3.0535 -3.0535 -2.9872 -2.9872 -2.9548 -2.9548 -2.5926 -2.5926 -2.5161 -2.5161 -2.3362 -2.3362 -2.3114 -2.3114 -2.2480 -2.2480 2.3794 2.3794 2.4113 2.4113 2.5558 2.5558 7.1361 7.1361 7.4483 7.4483 8.5518 8.5518 k = 0.2745-0.1941 0.3362 ( 4849 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4778 -36.4778 -36.4776 -36.4776 -22.6877 -22.6877 -22.6753 -22.6753 -22.5817 -22.5817 -21.6922 -21.6922 -21.5209 -21.5209 -21.4609 -21.4609 -6.5034 -6.5034 -6.1763 -6.1763 -5.5973 -5.5973 -5.5756 -5.5756 -5.5171 -5.5171 -4.6066 -4.6066 -3.7624 -3.7624 -3.5198 -3.5198 -3.4856 -3.4856 -3.2428 -3.2428 -3.0442 -3.0442 -2.9787 -2.9787 -2.9466 -2.9466 -2.5952 -2.5952 -2.5185 -2.5185 -2.3364 -2.3364 -2.3116 -2.3116 -2.2492 -2.2492 2.3802 2.3802 2.4118 2.4118 2.5561 2.5561 7.1282 7.1282 7.4414 7.4414 8.6464 8.6464 k = 0.2843-0.2010 0.3482 ( 4849 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4778 -36.4778 -36.4776 -36.4776 -22.6884 -22.6884 -22.6748 -22.6748 -22.5836 -22.5836 -21.6902 -21.6902 -21.5201 -21.5201 -21.4610 -21.4610 -6.5052 -6.5052 -6.1862 -6.1862 -5.5935 -5.5935 -5.5720 -5.5720 -5.5140 -5.5140 -4.6162 -4.6162 -3.7522 -3.7522 -3.5303 -3.5303 -3.4965 -3.4965 -3.2392 -3.2392 -3.0350 -3.0350 -2.9709 -2.9709 -2.9392 -2.9392 -2.5977 -2.5977 -2.5209 -2.5209 -2.3361 -2.3361 -2.3112 -2.3112 -2.2504 -2.2504 2.3815 2.3815 2.4125 2.4125 2.5567 2.5567 7.1203 7.1203 7.4315 7.4315 8.7431 8.7431 k = 0.2941-0.2080 0.3602 ( 4841 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4778 -36.4778 -36.4776 -36.4776 -22.6891 -22.6891 -22.6743 -22.6743 -22.5863 -22.5863 -21.6876 -21.6876 -21.5189 -21.5189 -21.4611 -21.4611 -6.5070 -6.5070 -6.1984 -6.1984 -5.5894 -5.5894 -5.5682 -5.5682 -5.5108 -5.5108 -4.6293 -4.6293 -3.7405 -3.7405 -3.5411 -3.5411 -3.5078 -3.5078 -3.2298 -3.2298 -3.0260 -3.0260 -2.9638 -2.9638 -2.9326 -2.9326 -2.6002 -2.6002 -2.5233 -2.5233 -2.3352 -2.3352 -2.3102 -2.3102 -2.2516 -2.2516 2.3832 2.3832 2.4133 2.4133 2.5575 2.5575 7.1124 7.1124 7.4187 7.4187 8.8418 8.8418 k = 0.3039-0.2149 0.3722 ( 4841 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4778 -36.4778 -36.4776 -36.4776 -22.6897 -22.6897 -22.6739 -22.6739 -22.5896 -22.5896 -21.6845 -21.6845 -21.5174 -21.5174 -21.4612 -21.4612 -6.5088 -6.5088 -6.2127 -6.2127 -5.5851 -5.5851 -5.5642 -5.5642 -5.5076 -5.5076 -4.6452 -4.6452 -3.7289 -3.7289 -3.5519 -3.5519 -3.5193 -3.5193 -3.2143 -3.2143 -3.0171 -3.0171 -2.9575 -2.9575 -2.9267 -2.9267 -2.6026 -2.6026 -2.5255 -2.5255 -2.3338 -2.3338 -2.3086 -2.3086 -2.2527 -2.2527 2.3852 2.3852 2.4144 2.4144 2.5585 2.5585 7.1045 7.1045 7.4032 7.4032 8.9424 8.9424 k = 0.3137-0.2218 0.3842 ( 4837 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4777 -36.4777 -36.4776 -36.4776 -22.6904 -22.6904 -22.6736 -22.6736 -22.5934 -22.5934 -21.6810 -21.6810 -21.5155 -21.5155 -21.4613 -21.4613 -6.5105 -6.5105 -6.2290 -6.2290 -5.5804 -5.5804 -5.5600 -5.5600 -5.5043 -5.5043 -4.6627 -4.6627 -3.7186 -3.7186 -3.5629 -3.5629 -3.5311 -3.5311 -3.1926 -3.1926 -3.0084 -3.0084 -2.9518 -2.9518 -2.9215 -2.9215 -2.6048 -2.6048 -2.5276 -2.5276 -2.3318 -2.3318 -2.3066 -2.3066 -2.2538 -2.2538 2.3876 2.3876 2.4156 2.4156 2.5597 2.5597 7.0968 7.0968 7.3851 7.3851 9.0446 9.0446 k = 0.3235-0.2288 0.3962 ( 4837 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4777 -36.4777 -36.4776 -36.4776 -22.6911 -22.6911 -22.6735 -22.6735 -22.5976 -22.5976 -21.6772 -21.6772 -21.5133 -21.5133 -21.4613 -21.4613 -6.5122 -6.5122 -6.2469 -6.2469 -5.5756 -5.5756 -5.5558 -5.5558 -5.5009 -5.5009 -4.6811 -4.6811 -3.7104 -3.7104 -3.5740 -3.5740 -3.5432 -3.5432 -3.1649 -3.1649 -2.9999 -2.9999 -2.9468 -2.9468 -2.9170 -2.9170 -2.6068 -2.6068 -2.5296 -2.5296 -2.3295 -2.3295 -2.3041 -2.3041 -2.2548 -2.2548 2.3902 2.3902 2.4169 2.4169 2.5610 2.5610 7.0892 7.0892 7.3648 7.3648 9.1485 9.1485 k = 0.3333-0.2357 0.4082 ( 4825 PWs) bands (ev): -62.8997 -62.8997 -38.8834 -38.8834 -36.4777 -36.4777 -36.4776 -36.4776 -22.6917 -22.6917 -22.6735 -22.6735 -22.6021 -22.6021 -21.6731 -21.6731 -21.5108 -21.5108 -21.4614 -21.4614 -6.5138 -6.5138 -6.2663 -6.2663 -5.5705 -5.5705 -5.5514 -5.5514 -5.4976 -5.4976 -4.6998 -4.6998 -3.7048 -3.7048 -3.5849 -3.5849 -3.5553 -3.5553 -3.1320 -3.1320 -2.9917 -2.9917 -2.9424 -2.9424 -2.9132 -2.9132 -2.6087 -2.6087 -2.5314 -2.5314 -2.3269 -2.3269 -2.3013 -2.3013 -2.2557 -2.2557 2.3932 2.3932 2.4184 2.4184 2.5626 2.5626 7.0818 7.0818 7.3425 7.3425 9.2538 9.2538 k = 0.3431-0.2426 0.4203 ( 4833 PWs) bands (ev): -62.8997 -62.8997 -38.8834 -38.8834 -36.4777 -36.4777 -36.4776 -36.4776 -22.6923 -22.6923 -22.6737 -22.6737 -22.6069 -22.6069 -21.6690 -21.6690 -21.5079 -21.5079 -21.4615 -21.4615 -6.5153 -6.5153 -6.2868 -6.2868 -5.5653 -5.5653 -5.5470 -5.5470 -5.4942 -5.4942 -4.7182 -4.7182 -3.7018 -3.7018 -3.5958 -3.5958 -3.5675 -3.5675 -3.0947 -3.0947 -2.9839 -2.9839 -2.9385 -2.9385 -2.9099 -2.9099 -2.6102 -2.6102 -2.5331 -2.5331 -2.3240 -2.3240 -2.2982 -2.2982 -2.2566 -2.2566 2.3963 2.3963 2.4199 2.4199 2.5642 2.5642 7.0746 7.0746 7.3184 7.3184 9.3604 9.3604 k = 0.3529-0.2496 0.4323 ( 4829 PWs) bands (ev): -62.8997 -62.8997 -38.8834 -38.8834 -36.4777 -36.4777 -36.4776 -36.4776 -22.6928 -22.6928 -22.6741 -22.6741 -22.6116 -22.6116 -21.6648 -21.6648 -21.5048 -21.5048 -21.4615 -21.4615 -6.5168 -6.5168 -6.3081 -6.3081 -5.5601 -5.5601 -5.5427 -5.5427 -5.4907 -5.4907 -4.7360 -4.7360 -3.7011 -3.7011 -3.6064 -3.6064 -3.5796 -3.5796 -3.0544 -3.0544 -2.9764 -2.9764 -2.9352 -2.9352 -2.9071 -2.9071 -2.6114 -2.6114 -2.5347 -2.5347 -2.3209 -2.3209 -2.2949 -2.2949 -2.2573 -2.2573 2.3996 2.3996 2.4214 2.4214 2.5660 2.5660 7.0676 7.0676 7.2930 7.2930 9.4681 9.4681 k = 0.3627-0.2565 0.4443 ( 4821 PWs) bands (ev): -62.8996 -62.8996 -38.8834 -38.8834 -36.4777 -36.4777 -36.4776 -36.4776 -22.6934 -22.6934 -22.6748 -22.6748 -22.6162 -22.6162 -21.6607 -21.6607 -21.5014 -21.5014 -21.4616 -21.4616 -6.5182 -6.5182 -6.3299 -6.3299 -5.5547 -5.5547 -5.5385 -5.5385 -5.4873 -5.4873 -4.7528 -4.7528 -3.7024 -3.7024 -3.6167 -3.6167 -3.5916 -3.5916 -3.0122 -3.0122 -2.9693 -2.9693 -2.9321 -2.9321 -2.9048 -2.9048 -2.6123 -2.6123 -2.5361 -2.5361 -2.3177 -2.3177 -2.2914 -2.2914 -2.2580 -2.2580 2.4031 2.4031 2.4230 2.4230 2.5679 2.5679 7.0608 7.0608 7.2667 7.2667 9.5767 9.5767 k = 0.3725-0.2634 0.4563 ( 4821 PWs) bands (ev): -62.8996 -62.8996 -38.8834 -38.8834 -36.4777 -36.4777 -36.4776 -36.4776 -22.6939 -22.6939 -22.6758 -22.6758 -22.6207 -22.6207 -21.6567 -21.6567 -21.4978 -21.4978 -21.4617 -21.4617 -6.5195 -6.5195 -6.3519 -6.3519 -5.5494 -5.5494 -5.5343 -5.5343 -5.4839 -5.4839 -4.7686 -4.7686 -3.7052 -3.7052 -3.6266 -3.6266 -3.6033 -3.6033 -2.9699 -2.9699 -2.9626 -2.9626 -2.9287 -2.9287 -2.9029 -2.9029 -2.6127 -2.6127 -2.5373 -2.5373 -2.3145 -2.3145 -2.2879 -2.2879 -2.2586 -2.2586 2.4066 2.4066 2.4246 2.4246 2.5699 2.5699 7.0544 7.0544 7.2397 7.2397 9.6859 9.6859 k = 0.3824-0.2704 0.4683 ( 4833 PWs) bands (ev): -62.8997 -62.8997 -38.8834 -38.8834 -36.4777 -36.4777 -36.4776 -36.4776 -22.6944 -22.6944 -22.6771 -22.6771 -22.6248 -22.6248 -21.6530 -21.6530 -21.4940 -21.4940 -21.4617 -21.4617 -6.5208 -6.5208 -6.3737 -6.3737 -5.5442 -5.5442 -5.5304 -5.5304 -5.4804 -5.4804 -4.7831 -4.7831 -3.7093 -3.7093 -3.6360 -3.6360 -3.6148 -3.6148 -2.9564 -2.9564 -2.9365 -2.9365 -2.9170 -2.9170 -2.9012 -2.9012 -2.6126 -2.6126 -2.5385 -2.5385 -2.3113 -2.3113 -2.2843 -2.2843 -2.2591 -2.2591 2.4101 2.4101 2.4261 2.4261 2.5720 2.5720 7.0483 7.0483 7.2126 7.2126 9.7955 9.7955 k = 0.3922-0.2773 0.4803 ( 4838 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4777 -36.4777 -36.4777 -36.4777 -22.6949 -22.6949 -22.6786 -22.6786 -22.6284 -22.6284 -21.6495 -21.6495 -21.4902 -21.4902 -21.4618 -21.4618 -6.5220 -6.5220 -6.3951 -6.3951 -5.5391 -5.5391 -5.5267 -5.5267 -5.4770 -5.4770 -4.7964 -4.7964 -3.7142 -3.7142 -3.6448 -3.6448 -3.6258 -3.6258 -2.9506 -2.9506 -2.9295 -2.9295 -2.8998 -2.8998 -2.8804 -2.8804 -2.6118 -2.6118 -2.5395 -2.5395 -2.3082 -2.3082 -2.2808 -2.2808 -2.2595 -2.2595 2.4136 2.4136 2.4275 2.4275 2.5741 2.5741 7.0426 7.0426 7.1858 7.1858 9.9051 9.9051 k = 0.4020-0.2842 0.4923 ( 4846 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4777 -36.4777 -36.4777 -36.4777 -22.6953 -22.6953 -22.6806 -22.6806 -22.6316 -22.6316 -21.6463 -21.6463 -21.4863 -21.4863 -21.4619 -21.4619 -6.5230 -6.5230 -6.4157 -6.4157 -5.5342 -5.5342 -5.5233 -5.5233 -5.4737 -5.4737 -4.8083 -4.8083 -3.7196 -3.7196 -3.6529 -3.6529 -3.6363 -3.6363 -2.9454 -2.9454 -2.9274 -2.9274 -2.8985 -2.8985 -2.8413 -2.8413 -2.6101 -2.6101 -2.5404 -2.5404 -2.3053 -2.3053 -2.2774 -2.2774 -2.2598 -2.2598 2.4170 2.4170 2.4289 2.4289 2.5761 2.5761 7.0372 7.0372 7.1595 7.1595 10.0143 10.0143 k = 0.4118-0.2912 0.5043 ( 4850 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4777 -36.4777 -36.4777 -36.4777 -22.6957 -22.6957 -22.6827 -22.6827 -22.6343 -22.6343 -21.6435 -21.6435 -21.4824 -21.4824 -21.4619 -21.4619 -6.5240 -6.5240 -6.4352 -6.4352 -5.5295 -5.5295 -5.5202 -5.5202 -5.4704 -5.4704 -4.8190 -4.8190 -3.7253 -3.7253 -3.6603 -3.6603 -3.6461 -3.6461 -2.9408 -2.9408 -2.9261 -2.9261 -2.8974 -2.8974 -2.8049 -2.8049 -2.6073 -2.6073 -2.5412 -2.5412 -2.3026 -2.3026 -2.2741 -2.2741 -2.2599 -2.2599 2.4202 2.4202 2.4302 2.4302 2.5781 2.5781 7.0323 7.0323 7.1343 7.1343 10.1226 10.1226 k = 0.4216-0.2981 0.5163 ( 4858 PWs) bands (ev): -62.8999 -62.8999 -38.8835 -38.8835 -36.4777 -36.4777 -36.4777 -36.4777 -22.6960 -22.6960 -22.6850 -22.6850 -22.6365 -22.6365 -21.6409 -21.6409 -21.4787 -21.4787 -21.4619 -21.4619 -6.5249 -6.5249 -6.4534 -6.4534 -5.5251 -5.5251 -5.5174 -5.5174 -5.4673 -5.4673 -4.8284 -4.8284 -3.7310 -3.7310 -3.6670 -3.6670 -3.6552 -3.6552 -2.9367 -2.9367 -2.9252 -2.9252 -2.8964 -2.8964 -2.7723 -2.7723 -2.6029 -2.6029 -2.5419 -2.5419 -2.3002 -2.3002 -2.2711 -2.2711 -2.2599 -2.2599 2.4232 2.4232 2.4314 2.4314 2.5800 2.5800 7.0278 7.0278 7.1106 7.1106 10.2293 10.2293 k = 0.4314-0.3050 0.5283 ( 4850 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4777 -36.4777 -36.4777 -36.4777 -22.6963 -22.6963 -22.6874 -22.6874 -22.6382 -22.6382 -21.6387 -21.6387 -21.4752 -21.4752 -21.4620 -21.4620 -6.5257 -6.5257 -6.4701 -6.4701 -5.5211 -5.5211 -5.5149 -5.5149 -5.4644 -5.4644 -4.8365 -4.8365 -3.7366 -3.7366 -3.6729 -3.6729 -3.6635 -3.6635 -2.9332 -2.9332 -2.9245 -2.9245 -2.8954 -2.8954 -2.7447 -2.7447 -2.5967 -2.5967 -2.5425 -2.5425 -2.2981 -2.2981 -2.2684 -2.2684 -2.2598 -2.2598 2.4260 2.4260 2.4325 2.4325 2.5818 2.5818 7.0238 7.0238 7.0887 7.0887 10.3335 10.3335 k = 0.4412-0.3120 0.5403 ( 4850 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4777 -36.4777 -36.4777 -36.4777 -22.6966 -22.6966 -22.6897 -22.6897 -22.6396 -22.6396 -21.6368 -21.6368 -21.4720 -21.4720 -21.4620 -21.4620 -6.5264 -6.5264 -6.4850 -6.4850 -5.5175 -5.5175 -5.5128 -5.5128 -5.4618 -5.4618 -4.8434 -4.8434 -3.7418 -3.7418 -3.6781 -3.6781 -3.6709 -3.6709 -2.9302 -2.9302 -2.9240 -2.9240 -2.8945 -2.8945 -2.7226 -2.7226 -2.5886 -2.5886 -2.5430 -2.5430 -2.2962 -2.2962 -2.2659 -2.2659 -2.2597 -2.2597 2.4286 2.4286 2.4334 2.4334 2.5835 2.5835 7.0203 7.0203 7.0689 7.0689 10.4340 10.4340 k = 0.4510-0.3189 0.5523 ( 4858 PWs) bands (ev): -62.8999 -62.8999 -38.8835 -38.8835 -36.4777 -36.4777 -36.4777 -36.4777 -22.6968 -22.6968 -22.6919 -22.6919 -22.6407 -22.6407 -21.6352 -21.6352 -21.4691 -21.4691 -21.4621 -21.4621 -6.5270 -6.5270 -6.4979 -6.4979 -5.5143 -5.5143 -5.5109 -5.5109 -5.4594 -5.4594 -4.8492 -4.8492 -3.7465 -3.7465 -3.6825 -3.6825 -3.6773 -3.6773 -2.9279 -2.9279 -2.9236 -2.9236 -2.8937 -2.8937 -2.7061 -2.7061 -2.5788 -2.5788 -2.5434 -2.5434 -2.2947 -2.2947 -2.2637 -2.2637 -2.2595 -2.2595 2.4308 2.4308 2.4342 2.4342 2.5849 2.5849 7.0172 7.0172 7.0516 7.0516 10.5291 10.5291 k = 0.4608-0.3258 0.5643 ( 4874 PWs) bands (ev): -62.9000 -62.9000 -38.8836 -38.8836 -36.4778 -36.4778 -36.4777 -36.4777 -22.6970 -22.6970 -22.6938 -22.6938 -22.6415 -22.6415 -21.6339 -21.6339 -21.4667 -21.4667 -21.4621 -21.4621 -6.5275 -6.5275 -6.5087 -6.5087 -5.5117 -5.5117 -5.5095 -5.5095 -5.4574 -5.4574 -4.8539 -4.8539 -3.7505 -3.7505 -3.6860 -3.6860 -3.6827 -3.6827 -2.9260 -2.9260 -2.9233 -2.9233 -2.8929 -2.8929 -2.6945 -2.6945 -2.5685 -2.5685 -2.5437 -2.5437 -2.2935 -2.2935 -2.2620 -2.2620 -2.2592 -2.2592 2.4326 2.4326 2.4348 2.4348 2.5861 2.5861 7.0147 7.0147 7.0370 7.0370 10.6164 10.6164 k = 0.4706-0.3328 0.5764 ( 4874 PWs) bands (ev): -62.9000 -62.9000 -38.8836 -38.8836 -36.4778 -36.4778 -36.4777 -36.4777 -22.6972 -22.6972 -22.6953 -22.6953 -22.6420 -22.6420 -21.6329 -21.6329 -21.4647 -21.4647 -21.4621 -21.4621 -6.5278 -6.5278 -6.5172 -6.5172 -5.5096 -5.5096 -5.5083 -5.5083 -5.4558 -5.4558 -4.8575 -4.8575 -3.7537 -3.7537 -3.6888 -3.6888 -3.6869 -3.6869 -2.9246 -2.9246 -2.9231 -2.9231 -2.8923 -2.8923 -2.6868 -2.6868 -2.5588 -2.5588 -2.5440 -2.5440 -2.2926 -2.2926 -2.2605 -2.2605 -2.2590 -2.2590 2.4341 2.4341 2.4354 2.4354 2.5871 2.5871 7.0128 7.0128 7.0255 7.0255 10.6924 10.6924 k = 0.4804-0.3397 0.5884 ( 4874 PWs) bands (ev): -62.9000 -62.9000 -38.8836 -38.8836 -36.4778 -36.4778 -36.4777 -36.4777 -22.6973 -22.6973 -22.6965 -22.6965 -22.6424 -22.6424 -21.6322 -21.6322 -21.4633 -21.4633 -21.4621 -21.4621 -6.5281 -6.5281 -6.5234 -6.5234 -5.5081 -5.5081 -5.5075 -5.5075 -5.4547 -5.4547 -4.8601 -4.8601 -3.7561 -3.7561 -3.6908 -3.6908 -3.6899 -3.6899 -2.9236 -2.9236 -2.9230 -2.9230 -2.8918 -2.8918 -2.6820 -2.6820 -2.5510 -2.5510 -2.5441 -2.5441 -2.2919 -2.2919 -2.2595 -2.2595 -2.2588 -2.2588 2.4352 2.4352 2.4357 2.4357 2.5878 2.5878 7.0114 7.0114 7.0171 7.0171 10.7525 10.7525 k = 0.4902-0.3466 0.6004 ( 4874 PWs) bands (ev): -62.9000 -62.9000 -38.8836 -38.8836 -36.4778 -36.4778 -36.4777 -36.4777 -22.6974 -22.6974 -22.6972 -22.6972 -22.6426 -22.6426 -21.6318 -21.6318 -21.4624 -21.4624 -21.4621 -21.4621 -6.5283 -6.5283 -6.5271 -6.5271 -5.5072 -5.5072 -5.5070 -5.5070 -5.4540 -5.4540 -4.8616 -4.8616 -3.7575 -3.7575 -3.6920 -3.6920 -3.6918 -3.6918 -2.9231 -2.9231 -2.9229 -2.9229 -2.8915 -2.8915 -2.6794 -2.6794 -2.5460 -2.5460 -2.5442 -2.5442 -2.2916 -2.2916 -2.2589 -2.2589 -2.2587 -2.2587 2.4358 2.4358 2.4359 2.4359 2.5883 2.5883 7.0106 7.0106 7.0120 7.0120 10.7892 10.7892 k = 0.5000-0.3536 0.6124 ( 4874 PWs) bands (ev): -62.9000 -62.9000 -38.8836 -38.8836 -36.4778 -36.4778 -36.4777 -36.4777 -22.6974 -22.6974 -22.6974 -22.6974 -22.6427 -22.6427 -21.6317 -21.6317 -21.4622 -21.4622 -21.4621 -21.4621 -6.5283 -6.5283 -6.5283 -6.5283 -5.5069 -5.5069 -5.5069 -5.5069 -5.4537 -5.4537 -4.8621 -4.8621 -3.7580 -3.7580 -3.6924 -3.6924 -3.6924 -3.6924 -2.9229 -2.9229 -2.9229 -2.9229 -2.8914 -2.8914 -2.6786 -2.6786 -2.5443 -2.5443 -2.5443 -2.5443 -2.2914 -2.2914 -2.2587 -2.2587 -2.2587 -2.2587 2.4360 2.4360 2.4360 2.4360 2.5884 2.5884 7.0103 7.0103 7.0103 7.0103 10.7966 10.7966 k = 0.5000-0.3536 0.6124 ( 4874 PWs) bands (ev): -62.9000 -62.9000 -38.8836 -38.8836 -36.4778 -36.4778 -36.4777 -36.4777 -22.6974 -22.6974 -22.6974 -22.6974 -22.6427 -22.6427 -21.6317 -21.6317 -21.4622 -21.4622 -21.4621 -21.4621 -6.5283 -6.5283 -6.5283 -6.5283 -5.5069 -5.5069 -5.5069 -5.5069 -5.4537 -5.4537 -4.8621 -4.8621 -3.7580 -3.7580 -3.6924 -3.6924 -3.6924 -3.6924 -2.9229 -2.9229 -2.9229 -2.9229 -2.8914 -2.8914 -2.6786 -2.6786 -2.5443 -2.5443 -2.5443 -2.5443 -2.2914 -2.2914 -2.2587 -2.2587 -2.2587 -2.2587 2.4360 2.4360 2.4360 2.4360 2.5884 2.5884 7.0103 7.0103 7.0103 7.0103 10.7966 10.7966 k = 0.4861-0.3437 0.6124 ( 4874 PWs) bands (ev): -62.9000 -62.9000 -38.8836 -38.8836 -36.4778 -36.4778 -36.4777 -36.4777 -22.6973 -22.6973 -22.6972 -22.6972 -22.6426 -22.6426 -21.6318 -21.6318 -21.4624 -21.4624 -21.4622 -21.4622 -6.5280 -6.5280 -6.5274 -6.5274 -5.5072 -5.5072 -5.5070 -5.5070 -5.4540 -5.4540 -4.8616 -4.8616 -3.7575 -3.7575 -3.6920 -3.6920 -3.6917 -3.6917 -2.9231 -2.9231 -2.9229 -2.9229 -2.8915 -2.8915 -2.6794 -2.6794 -2.5456 -2.5456 -2.5446 -2.5446 -2.2916 -2.2916 -2.2588 -2.2588 -2.2587 -2.2587 2.4358 2.4358 2.4360 2.4360 2.5883 2.5883 7.0109 7.0109 7.0116 7.0116 10.7920 10.7920 k = 0.4722-0.3339 0.6124 ( 4874 PWs) bands (ev): -62.9000 -62.9000 -38.8836 -38.8836 -36.4778 -36.4778 -36.4777 -36.4777 -22.6971 -22.6971 -22.6967 -22.6967 -22.6424 -22.6424 -21.6322 -21.6322 -21.4630 -21.4630 -21.4624 -21.4624 -6.5269 -6.5269 -6.5245 -6.5245 -5.5084 -5.5084 -5.5072 -5.5072 -5.4547 -5.4547 -4.8601 -4.8601 -3.7561 -3.7561 -3.6910 -3.6910 -3.6897 -3.6897 -2.9236 -2.9236 -2.9230 -2.9230 -2.8918 -2.8918 -2.6819 -2.6819 -2.5496 -2.5496 -2.5458 -2.5458 -2.2919 -2.2919 -2.2593 -2.2593 -2.2590 -2.2590 2.4351 2.4351 2.4358 2.4358 2.5878 2.5878 7.0128 7.0128 7.0157 7.0157 10.7750 10.7750 k = 0.4583-0.3241 0.6124 ( 4874 PWs) bands (ev): -62.9000 -62.9000 -38.8836 -38.8836 -36.4778 -36.4778 -36.4777 -36.4777 -22.6967 -22.6967 -22.6958 -22.6958 -22.6420 -22.6420 -21.6329 -21.6329 -21.4641 -21.4641 -21.4627 -21.4627 -6.5252 -6.5252 -6.5198 -6.5198 -5.5103 -5.5103 -5.5077 -5.5077 -5.4558 -5.4558 -4.8575 -4.8575 -3.7537 -3.7537 -3.6892 -3.6892 -3.6864 -3.6864 -2.9245 -2.9245 -2.9232 -2.9232 -2.8923 -2.8923 -2.6861 -2.6861 -2.5561 -2.5561 -2.5475 -2.5475 -2.2926 -2.2926 -2.2602 -2.2602 -2.2594 -2.2594 2.4339 2.4339 2.4355 2.4355 2.5871 2.5871 7.0160 7.0160 7.0224 7.0224 10.7458 10.7458 k = 0.4444-0.3143 0.6124 ( 4874 PWs) bands (ev): -62.9000 -62.9000 -38.8836 -38.8836 -36.4778 -36.4778 -36.4777 -36.4777 -22.6962 -22.6962 -22.6945 -22.6945 -22.6415 -22.6415 -21.6339 -21.6339 -21.4657 -21.4657 -21.4632 -21.4632 -6.5227 -6.5227 -6.5132 -6.5132 -5.5129 -5.5129 -5.5084 -5.5084 -5.4573 -5.4573 -4.8540 -4.8540 -3.7505 -3.7505 -3.6867 -3.6867 -3.6819 -3.6819 -2.9258 -2.9258 -2.9234 -2.9234 -2.8930 -2.8930 -2.6923 -2.6923 -2.5650 -2.5650 -2.5498 -2.5498 -2.2935 -2.2935 -2.2613 -2.2613 -2.2600 -2.2600 2.4323 2.4323 2.4351 2.4351 2.5861 2.5861 7.0204 7.0204 7.0318 7.0318 10.7071 10.7071 k = 0.4306-0.3044 0.6124 ( 4866 PWs) bands (ev): -62.8999 -62.8999 -38.8835 -38.8835 -36.4778 -36.4778 -36.4777 -36.4777 -22.6956 -22.6956 -22.6928 -22.6928 -22.6409 -22.6409 -21.6351 -21.6351 -21.4676 -21.4676 -21.4638 -21.4638 -6.5196 -6.5196 -6.5047 -6.5047 -5.5163 -5.5163 -5.5095 -5.5095 -5.4591 -5.4591 -4.8493 -4.8493 -3.7466 -3.7466 -3.6834 -3.6834 -3.6761 -3.6761 -2.9275 -2.9275 -2.9237 -2.9237 -2.8937 -2.8937 -2.7004 -2.7004 -2.5764 -2.5764 -2.5523 -2.5523 -2.2946 -2.2946 -2.2628 -2.2628 -2.2608 -2.2608 2.4303 2.4303 2.4345 2.4345 2.5848 2.5848 7.0260 7.0260 7.0437 7.0437 10.6614 10.6614 k = 0.4167-0.2946 0.6124 ( 4854 PWs) bands (ev): -62.8999 -62.8999 -38.8835 -38.8835 -36.4777 -36.4777 -36.4777 -36.4777 -22.6948 -22.6948 -22.6908 -22.6908 -22.6400 -22.6400 -21.6367 -21.6367 -21.4699 -21.4699 -21.4645 -21.4645 -6.5159 -6.5159 -6.4944 -6.4944 -5.5204 -5.5204 -5.5108 -5.5108 -5.4610 -5.4610 -4.8437 -4.8437 -3.7421 -3.7421 -3.6793 -3.6793 -3.6692 -3.6692 -2.9296 -2.9296 -2.9241 -2.9241 -2.8946 -2.8946 -2.7108 -2.7108 -2.5899 -2.5899 -2.5550 -2.5550 -2.2961 -2.2961 -2.2645 -2.2645 -2.2617 -2.2617 2.4278 2.4278 2.4338 2.4338 2.5833 2.5833 7.0327 7.0327 7.0582 7.0582 10.6105 10.6106 k = 0.4028-0.2848 0.6124 ( 4852 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4777 -36.4777 -36.4777 -36.4777 -22.6940 -22.6940 -22.6885 -22.6885 -22.6390 -22.6390 -21.6385 -21.6385 -21.4727 -21.4727 -21.4653 -21.4653 -6.5116 -6.5116 -6.4823 -6.4823 -5.5251 -5.5251 -5.5126 -5.5126 -5.4630 -5.4630 -4.8369 -4.8369 -3.7372 -3.7372 -3.6743 -3.6743 -3.6613 -3.6613 -2.9321 -2.9321 -2.9245 -2.9245 -2.8955 -2.8955 -2.7236 -2.7236 -2.6055 -2.6055 -2.5575 -2.5575 -2.2978 -2.2978 -2.2666 -2.2666 -2.2628 -2.2628 2.4249 2.4249 2.4330 2.4330 2.5816 2.5816 7.0406 7.0406 7.0751 7.0751 10.5556 10.5556 k = 0.3889-0.2750 0.6124 ( 4848 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4777 -36.4777 -36.4777 -36.4777 -22.6931 -22.6931 -22.6859 -22.6859 -22.6378 -22.6378 -21.6405 -21.6405 -21.4758 -21.4758 -21.4662 -21.4662 -6.5067 -6.5067 -6.4685 -6.4685 -5.5305 -5.5305 -5.5149 -5.5149 -5.4648 -5.4648 -4.8291 -4.8291 -3.7319 -3.7319 -3.6684 -3.6684 -3.6525 -3.6525 -2.9351 -2.9351 -2.9251 -2.9251 -2.8965 -2.8965 -2.7389 -2.7389 -2.6229 -2.6229 -2.5599 -2.5599 -2.2999 -2.2999 -2.2689 -2.2689 -2.2640 -2.2640 2.4216 2.4216 2.4321 2.4321 2.5797 2.5797 7.0494 7.0494 7.0942 7.0942 10.4968 10.4968 k = 0.3750-0.2652 0.6124 ( 4850 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4777 -36.4777 -36.4777 -36.4777 -22.6922 -22.6922 -22.6829 -22.6829 -22.6364 -22.6364 -21.6429 -21.6429 -21.4792 -21.4792 -21.4672 -21.4672 -6.5013 -6.5013 -6.4530 -6.4530 -5.5364 -5.5364 -5.5178 -5.5178 -5.4665 -5.4665 -4.8202 -4.8202 -3.7266 -3.7266 -3.6617 -3.6617 -3.6428 -3.6428 -2.9385 -2.9385 -2.9258 -2.9258 -2.8975 -2.8975 -2.7566 -2.7566 -2.6420 -2.6420 -2.5620 -2.5620 -2.3022 -2.3022 -2.2714 -2.2714 -2.2654 -2.2654 2.4179 2.4179 2.4309 2.4309 2.5776 2.5776 7.0592 7.0592 7.1156 7.1156 10.4349 10.4349 k = 0.3611-0.2553 0.6124 ( 4846 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4777 -36.4777 -36.4776 -36.4776 -22.6912 -22.6912 -22.6797 -22.6797 -22.6349 -22.6349 -21.6455 -21.6455 -21.4830 -21.4830 -21.4682 -21.4682 -6.4954 -6.4954 -6.4359 -6.4359 -5.5429 -5.5429 -5.5212 -5.5212 -5.4680 -5.4680 -4.8102 -4.8102 -3.7212 -3.7212 -3.6541 -3.6541 -3.6325 -3.6325 -2.9423 -2.9423 -2.9268 -2.9268 -2.8985 -2.8985 -2.7766 -2.7766 -2.6624 -2.6624 -2.5637 -2.5637 -2.3049 -2.3049 -2.2741 -2.2741 -2.2669 -2.2669 2.4139 2.4139 2.4296 2.4296 2.5753 2.5753 7.0698 7.0698 7.1390 7.1390 10.3709 10.3709 k = 0.3472-0.2455 0.6124 ( 4836 PWs) bands (ev): -62.8997 -62.8997 -38.8835 -38.8835 -36.4777 -36.4777 -36.4776 -36.4776 -22.6903 -22.6903 -22.6762 -22.6762 -22.6330 -22.6330 -21.6483 -21.6483 -21.4871 -21.4871 -21.4693 -21.4693 -6.4890 -6.4890 -6.4173 -6.4173 -5.5498 -5.5498 -5.5251 -5.5251 -5.4691 -5.4691 -4.7990 -4.7990 -3.7159 -3.7159 -3.6456 -3.6456 -3.6217 -3.6217 -2.9464 -2.9464 -2.9280 -2.9280 -2.8995 -2.8995 -2.7988 -2.7988 -2.6840 -2.6840 -2.5650 -2.5650 -2.3080 -2.3080 -2.2769 -2.2769 -2.2686 -2.2686 2.4095 2.4095 2.4282 2.4282 2.5730 2.5730 7.0811 7.0811 7.1644 7.1644 10.3058 10.3058 k = 0.3333-0.2357 0.6124 ( 4826 PWs) bands (ev): -62.8997 -62.8997 -38.8834 -38.8834 -36.4777 -36.4777 -36.4776 -36.4776 -22.6893 -22.6893 -22.6724 -22.6724 -22.6310 -22.6310 -21.6514 -21.6514 -21.4915 -21.4915 -21.4704 -21.4704 -6.4823 -6.4823 -6.3971 -6.3971 -5.5572 -5.5572 -5.5295 -5.5295 -5.4698 -5.4698 -4.7868 -4.7868 -3.7109 -3.7109 -3.6366 -3.6366 -3.6106 -3.6106 -2.9509 -2.9509 -2.9297 -2.9297 -2.9007 -2.9007 -2.8226 -2.8226 -2.7064 -2.7064 -2.5659 -2.5659 -2.3114 -2.3114 -2.2798 -2.2798 -2.2704 -2.2704 2.4049 2.4049 2.4265 2.4265 2.5706 2.5706 7.0932 7.0932 7.1914 7.1914 10.2405 10.2405 k = 0.3194-0.2259 0.6124 ( 4836 PWs) bands (ev): -62.8997 -62.8997 -38.8835 -38.8835 -36.4777 -36.4777 -36.4776 -36.4776 -22.6884 -22.6884 -22.6684 -22.6684 -22.6288 -22.6288 -21.6548 -21.6548 -21.4962 -21.4962 -21.4716 -21.4716 -6.4753 -6.4753 -6.3757 -6.3757 -5.5649 -5.5649 -5.5343 -5.5343 -5.4703 -5.4703 -4.7734 -4.7734 -3.7061 -3.7061 -3.6270 -3.6270 -3.5992 -3.5992 -2.9557 -2.9557 -2.9325 -2.9325 -2.9021 -2.9021 -2.8472 -2.8472 -2.7296 -2.7296 -2.5664 -2.5664 -2.3152 -2.3152 -2.2829 -2.2829 -2.2723 -2.2723 2.4000 2.4000 2.4247 2.4247 2.5681 2.5681 7.1057 7.1057 7.2201 7.2201 10.1754 10.1754 k = 0.3056-0.2161 0.6124 ( 4832 PWs) bands (ev): -62.8997 -62.8997 -38.8834 -38.8834 -36.4777 -36.4777 -36.4776 -36.4776 -22.6875 -22.6875 -22.6642 -22.6642 -22.6264 -22.6264 -21.6583 -21.6583 -21.5010 -21.5010 -21.4727 -21.4727 -6.4681 -6.4681 -6.3529 -6.3529 -5.5729 -5.5729 -5.5394 -5.5394 -5.4705 -5.4705 -4.7589 -4.7589 -3.7016 -3.7016 -3.6171 -3.6171 -3.5877 -3.5877 -2.9608 -2.9608 -2.9377 -2.9377 -2.9043 -2.9043 -2.8704 -2.8704 -2.7531 -2.7531 -2.5666 -2.5666 -2.3193 -2.3193 -2.2859 -2.2859 -2.2743 -2.2743 2.3949 2.3949 2.4226 2.4226 2.5656 2.5656 7.1188 7.1188 7.2502 7.2502 10.1111 10.1111 k = 0.2917-0.2062 0.6124 ( 4826 PWs) bands (ev): -62.8997 -62.8997 -38.8834 -38.8834 -36.4777 -36.4777 -36.4776 -36.4776 -22.6867 -22.6867 -22.6599 -22.6599 -22.6238 -22.6238 -21.6620 -21.6620 -21.5060 -21.5060 -21.4739 -21.4739 -6.4606 -6.4606 -6.3290 -6.3290 -5.5812 -5.5812 -5.5447 -5.5447 -5.4704 -5.4704 -4.7433 -4.7433 -3.6975 -3.6975 -3.6073 -3.6073 -3.5764 -3.5764 -2.9665 -2.9665 -2.9482 -2.9482 -2.9085 -2.9085 -2.8876 -2.8876 -2.7768 -2.7768 -2.5665 -2.5665 -2.3237 -2.3237 -2.2890 -2.2890 -2.2765 -2.2765 2.3896 2.3896 2.4204 2.4204 2.5631 2.5631 7.1321 7.1321 7.2816 7.2816 10.0479 10.0479 k = 0.2778-0.1964 0.6124 ( 4830 PWs) bands (ev): -62.8997 -62.8997 -38.8834 -38.8834 -36.4777 -36.4777 -36.4776 -36.4776 -22.6860 -22.6860 -22.6553 -22.6553 -22.6210 -22.6210 -21.6660 -21.6660 -21.5112 -21.5112 -21.4750 -21.4750 -6.4530 -6.4530 -6.3040 -6.3040 -5.5896 -5.5896 -5.5502 -5.5502 -5.4702 -5.4702 -4.7266 -4.7266 -3.6939 -3.6939 -3.5978 -3.5978 -3.5651 -3.5651 -2.9751 -2.9751 -2.9648 -2.9648 -2.9144 -2.9144 -2.8953 -2.8953 -2.8003 -2.8003 -2.5660 -2.5660 -2.3285 -2.3285 -2.2921 -2.2921 -2.2787 -2.2787 2.3841 2.3841 2.4180 2.4180 2.5607 2.5607 7.1457 7.1457 7.3140 7.3140 9.9861 9.9861 k = 0.2639-0.1866 0.6124 ( 4832 PWs) bands (ev): -62.8997 -62.8997 -38.8835 -38.8835 -36.4777 -36.4777 -36.4776 -36.4776 -22.6853 -22.6853 -22.6507 -22.6507 -22.6181 -22.6181 -21.6700 -21.6700 -21.5165 -21.5165 -21.4762 -21.4762 -6.4454 -6.4454 -6.2781 -6.2781 -5.5981 -5.5981 -5.5557 -5.5557 -5.4698 -5.4698 -4.7088 -4.7088 -3.6907 -3.6907 -3.5890 -3.5890 -3.5540 -3.5540 -2.9983 -2.9983 -2.9743 -2.9743 -2.9190 -2.9190 -2.8983 -2.8983 -2.8234 -2.8234 -2.5654 -2.5654 -2.3335 -2.3335 -2.2953 -2.2953 -2.2810 -2.2810 2.3785 2.3785 2.4154 2.4154 2.5583 2.5583 7.1594 7.1594 7.3472 7.3472 9.9262 9.9262 k = 0.2500-0.1768 0.6124 ( 4824 PWs) bands (ev): -62.8997 -62.8997 -38.8834 -38.8834 -36.4777 -36.4777 -36.4776 -36.4776 -22.6847 -22.6847 -22.6459 -22.6459 -22.6150 -22.6150 -21.6742 -21.6742 -21.5219 -21.5219 -21.4772 -21.4772 -6.4377 -6.4377 -6.2515 -6.2515 -5.6066 -5.6066 -5.5612 -5.5612 -5.4692 -5.4692 -4.6900 -4.6900 -3.6882 -3.6882 -3.5815 -3.5815 -3.5429 -3.5429 -3.0287 -3.0287 -2.9800 -2.9800 -2.9222 -2.9222 -2.8997 -2.8997 -2.8454 -2.8454 -2.5645 -2.5645 -2.3388 -2.3388 -2.2984 -2.2984 -2.2833 -2.2833 2.3729 2.3729 2.4126 2.4126 2.5561 2.5561 7.1731 7.1731 7.3812 7.3812 9.8682 9.8682 k = 0.2361-0.1670 0.6124 ( 4830 PWs) bands (ev): -62.8997 -62.8997 -38.8834 -38.8834 -36.4777 -36.4777 -36.4776 -36.4776 -22.6842 -22.6842 -22.6412 -22.6412 -22.6118 -22.6118 -21.6785 -21.6785 -21.5273 -21.5273 -21.4783 -21.4783 -6.4301 -6.4301 -6.2243 -6.2243 -5.6150 -5.6150 -5.5666 -5.5666 -5.4686 -5.4686 -4.6702 -4.6702 -3.6863 -3.6863 -3.5757 -3.5757 -3.5320 -3.5320 -3.0611 -3.0611 -2.9853 -2.9853 -2.9252 -2.9252 -2.9008 -2.9008 -2.8659 -2.8659 -2.5634 -2.5634 -2.3442 -2.3442 -2.3015 -2.3015 -2.2857 -2.2857 2.3672 2.3672 2.4097 2.4097 2.5540 2.5540 7.1867 7.1867 7.4155 7.4155 9.8124 9.8124 k = 0.2222-0.1571 0.6124 ( 4832 PWs) bands (ev): -62.8997 -62.8997 -38.8834 -38.8834 -36.4778 -36.4778 -36.4776 -36.4776 -22.6837 -22.6837 -22.6364 -22.6364 -22.6086 -22.6086 -21.6829 -21.6829 -21.5327 -21.5327 -21.4793 -21.4793 -6.4226 -6.4226 -6.1967 -6.1967 -5.6233 -5.6233 -5.5718 -5.5718 -5.4679 -5.4679 -4.6494 -4.6494 -3.6854 -3.6854 -3.5719 -3.5719 -3.5210 -3.5210 -3.0942 -3.0942 -2.9902 -2.9902 -2.9290 -2.9290 -2.9019 -2.9019 -2.8836 -2.8836 -2.5621 -2.5621 -2.3497 -2.3497 -2.3046 -2.3046 -2.2880 -2.2880 2.3615 2.3615 2.4067 2.4067 2.5519 2.5519 7.2001 7.2001 7.4500 7.4500 9.7591 9.7591 k = 0.2083-0.1473 0.6124 ( 4832 PWs) bands (ev): -62.8997 -62.8997 -38.8835 -38.8835 -36.4778 -36.4778 -36.4776 -36.4776 -22.6833 -22.6833 -22.6316 -22.6316 -22.6053 -22.6053 -21.6872 -21.6872 -21.5380 -21.5380 -21.4802 -21.4802 -6.4152 -6.4152 -6.1688 -6.1688 -5.6315 -5.6315 -5.5769 -5.5769 -5.4671 -5.4671 -4.6278 -4.6278 -3.6854 -3.6854 -3.5706 -3.5706 -3.5100 -3.5100 -3.1270 -3.1270 -2.9949 -2.9949 -2.9350 -2.9350 -2.9047 -2.9047 -2.8956 -2.8956 -2.5606 -2.5606 -2.3554 -2.3554 -2.3077 -2.3077 -2.2904 -2.2904 2.3559 2.3559 2.4035 2.4035 2.5501 2.5501 7.2131 7.2131 7.4846 7.4846 9.7084 9.7084 k = 0.1944-0.1375 0.6124 ( 4842 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4778 -36.4778 -36.4776 -36.4776 -22.6830 -22.6830 -22.6269 -22.6269 -22.6020 -22.6020 -21.6916 -21.6916 -21.5433 -21.5433 -21.4811 -21.4811 -6.4081 -6.4081 -6.1409 -6.1409 -5.6394 -5.6394 -5.5817 -5.5817 -5.4663 -5.4663 -4.6055 -4.6055 -3.6865 -3.6865 -3.5718 -3.5718 -3.4991 -3.4991 -3.1592 -3.1592 -2.9995 -2.9995 -2.9443 -2.9443 -2.9102 -2.9102 -2.8994 -2.8994 -2.5590 -2.5590 -2.3610 -2.3610 -2.3108 -2.3108 -2.2927 -2.2927 2.3504 2.3504 2.4003 2.4003 2.5484 2.5484 7.2258 7.2258 7.5189 7.5189 9.6604 9.6604 k = 0.1806-0.1277 0.6124 ( 4838 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4778 -36.4778 -36.4776 -36.4776 -22.6827 -22.6827 -22.6222 -22.6222 -22.5987 -22.5987 -21.6959 -21.6959 -21.5484 -21.5484 -21.4820 -21.4820 -6.4013 -6.4013 -6.1132 -6.1132 -5.6470 -5.6470 -5.5863 -5.5863 -5.4655 -5.4655 -4.5825 -4.5825 -3.6890 -3.6890 -3.5756 -3.5756 -3.4885 -3.4885 -3.1902 -3.1902 -3.0038 -3.0038 -2.9556 -2.9556 -2.9142 -2.9142 -2.9004 -2.9004 -2.5573 -2.5573 -2.3666 -2.3666 -2.3138 -2.3138 -2.2950 -2.2950 2.3450 2.3450 2.3971 2.3971 2.5468 2.5468 7.2379 7.2379 7.5526 7.5526 9.6153 9.6153 k = 0.1667-0.1179 0.6124 ( 4832 PWs) bands (ev): -62.8997 -62.8997 -38.8835 -38.8835 -36.4778 -36.4778 -36.4776 -36.4776 -22.6825 -22.6825 -22.6178 -22.6178 -22.5955 -22.5955 -21.7001 -21.7001 -21.5533 -21.5533 -21.4827 -21.4827 -6.3948 -6.3948 -6.0860 -6.0860 -5.6542 -5.6542 -5.5905 -5.5905 -5.4647 -5.4647 -4.5590 -4.5590 -3.6929 -3.6929 -3.5820 -3.5820 -3.4782 -3.4782 -3.2195 -3.2195 -3.0083 -3.0083 -2.9667 -2.9667 -2.9166 -2.9166 -2.9008 -2.9008 -2.5555 -2.5555 -2.3721 -2.3721 -2.3168 -2.3168 -2.2972 -2.2972 2.3399 2.3399 2.3939 2.3939 2.5454 2.5454 7.2495 7.2495 7.5857 7.5857 9.5732 9.5732 k = 0.1528-0.1080 0.6124 ( 4838 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4778 -36.4778 -36.4776 -36.4776 -22.6823 -22.6823 -22.6134 -22.6134 -22.5924 -22.5924 -21.7042 -21.7042 -21.5580 -21.5580 -21.4835 -21.4835 -6.3887 -6.3887 -6.0595 -6.0595 -5.6611 -5.6611 -5.5945 -5.5945 -5.4639 -5.4639 -4.5351 -4.5351 -3.6983 -3.6983 -3.5907 -3.5907 -3.4683 -3.4683 -3.2467 -3.2467 -3.0130 -3.0130 -2.9761 -2.9761 -2.9180 -2.9180 -2.9010 -2.9010 -2.5537 -2.5537 -2.3774 -2.3774 -2.3198 -2.3198 -2.2993 -2.2993 2.3349 2.3349 2.3908 2.3908 2.5441 2.5441 7.2604 7.2604 7.6176 7.6176 9.5342 9.5342 k = 0.1389-0.0982 0.6124 ( 4830 PWs) bands (ev): -62.8997 -62.8997 -38.8835 -38.8835 -36.4778 -36.4778 -36.4776 -36.4776 -22.6821 -22.6821 -22.6093 -22.6093 -22.5894 -22.5894 -21.7080 -21.7080 -21.5625 -21.5625 -21.4841 -21.4841 -6.3830 -6.3830 -6.0339 -6.0339 -5.6675 -5.6675 -5.5981 -5.5981 -5.4631 -5.4631 -4.5111 -4.5111 -3.7054 -3.7054 -3.6013 -3.6013 -3.4589 -3.4589 -3.2716 -3.2716 -3.0182 -3.0182 -2.9832 -2.9832 -2.9189 -2.9189 -2.9011 -2.9011 -2.5518 -2.5518 -2.3825 -2.3825 -2.3227 -2.3227 -2.3012 -2.3012 2.3302 2.3302 2.3877 2.3877 2.5430 2.5430 7.2705 7.2705 7.6483 7.6483 9.4983 9.4983 k = 0.1250-0.0884 0.6124 ( 4834 PWs) bands (ev): -62.8997 -62.8997 -38.8835 -38.8835 -36.4778 -36.4778 -36.4776 -36.4776 -22.6820 -22.6820 -22.6055 -22.6055 -22.5866 -22.5866 -21.7117 -21.7117 -21.5667 -21.5667 -21.4847 -21.4847 -6.3777 -6.3777 -6.0095 -6.0095 -5.6734 -5.6734 -5.6014 -5.6014 -5.4624 -5.4624 -4.4873 -4.4873 -3.7140 -3.7140 -3.6135 -3.6135 -3.4502 -3.4502 -3.2938 -3.2938 -3.0238 -3.0238 -2.9880 -2.9880 -2.9195 -2.9195 -2.9011 -2.9011 -2.5500 -2.5500 -2.3873 -2.3873 -2.3254 -2.3254 -2.3031 -2.3031 2.3259 2.3259 2.3848 2.3848 2.5420 2.5420 7.2799 7.2799 7.6773 7.6773 9.4657 9.4657 k = 0.1111-0.0786 0.6124 ( 4838 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4779 -36.4779 -36.4776 -36.4776 -22.6818 -22.6818 -22.6019 -22.6019 -22.5840 -22.5840 -21.7151 -21.7151 -21.5705 -21.5705 -21.4852 -21.4852 -6.3729 -6.3729 -5.9867 -5.9867 -5.6787 -5.6787 -5.6044 -5.6044 -5.4618 -5.4618 -4.4639 -4.4639 -3.7240 -3.7240 -3.6267 -3.6267 -3.4422 -3.4422 -3.3133 -3.3133 -3.0295 -3.0295 -2.9908 -2.9908 -2.9199 -2.9199 -2.9011 -2.9011 -2.5482 -2.5482 -2.3918 -2.3918 -2.3280 -2.3280 -2.3048 -2.3048 2.3219 2.3219 2.3821 2.3821 2.5411 2.5411 7.2884 7.2884 7.7045 7.7045 9.4364 9.4364 k = 0.0972-0.0687 0.6124 ( 4854 PWs) bands (ev): -62.8999 -62.8999 -38.8835 -38.8835 -36.4779 -36.4779 -36.4776 -36.4776 -22.6818 -22.6818 -22.5987 -22.5987 -22.5816 -22.5816 -21.7183 -21.7183 -21.5740 -21.5740 -21.4857 -21.4857 -6.3687 -6.3687 -5.9657 -5.9657 -5.6836 -5.6836 -5.6070 -5.6070 -5.4612 -5.4612 -4.4412 -4.4412 -3.7351 -3.7351 -3.6403 -3.6403 -3.4350 -3.4350 -3.3299 -3.3299 -3.0349 -3.0349 -2.9923 -2.9923 -2.9202 -2.9202 -2.9011 -2.9011 -2.5465 -2.5465 -2.3960 -2.3960 -2.3305 -2.3305 -2.3063 -2.3063 2.3182 2.3182 2.3796 2.3796 2.5404 2.5404 7.2960 7.2960 7.7294 7.7294 9.4105 9.4105 k = 0.0833-0.0589 0.6124 ( 4840 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4779 -36.4779 -36.4776 -36.4776 -22.6817 -22.6817 -22.5958 -22.5958 -22.5795 -22.5795 -21.7210 -21.7210 -21.5771 -21.5771 -21.4861 -21.4861 -6.3649 -6.3649 -5.9468 -5.9468 -5.6878 -5.6878 -5.6092 -5.6092 -5.4606 -5.4606 -4.4198 -4.4198 -3.7467 -3.7467 -3.6538 -3.6538 -3.4286 -3.4286 -3.3437 -3.3437 -3.0398 -3.0398 -2.9928 -2.9928 -2.9204 -2.9204 -2.9010 -2.9010 -2.5449 -2.5449 -2.3996 -2.3996 -2.3326 -2.3326 -2.3076 -2.3076 2.3150 2.3150 2.3773 2.3773 2.5398 2.5398 7.3026 7.3026 7.7518 7.7518 9.3879 9.3879 k = 0.0694-0.0491 0.6124 ( 4824 PWs) bands (ev): -62.8997 -62.8997 -38.8834 -38.8834 -36.4778 -36.4778 -36.4776 -36.4776 -22.6816 -22.6816 -22.5933 -22.5933 -22.5777 -22.5777 -21.7234 -21.7234 -21.5798 -21.5798 -21.4864 -21.4864 -6.3617 -6.3617 -5.9302 -5.9302 -5.6914 -5.6914 -5.6111 -5.6111 -5.4601 -5.4601 -4.4001 -4.4001 -3.7584 -3.7584 -3.6665 -3.6665 -3.4231 -3.4231 -3.3548 -3.3548 -3.0440 -3.0440 -2.9928 -2.9928 -2.9205 -2.9205 -2.9009 -2.9009 -2.5435 -2.5435 -2.4028 -2.4028 -2.3346 -2.3346 -2.3087 -2.3087 2.3122 2.3122 2.3753 2.3753 2.5393 2.5393 7.3083 7.3083 7.7714 7.7714 9.3688 9.3688 k = 0.0556-0.0393 0.6124 ( 4824 PWs) bands (ev): -62.8997 -62.8997 -38.8834 -38.8834 -36.4779 -36.4779 -36.4776 -36.4776 -22.6816 -22.6816 -22.5912 -22.5912 -22.5761 -22.5761 -21.7254 -21.7254 -21.5820 -21.5820 -21.4867 -21.4867 -6.3590 -6.3590 -5.9163 -5.9163 -5.6944 -5.6944 -5.6126 -5.6126 -5.4597 -5.4597 -4.3828 -4.3828 -3.7693 -3.7693 -3.6779 -3.6779 -3.4186 -3.4186 -3.3636 -3.3636 -3.0475 -3.0475 -2.9924 -2.9924 -2.9206 -2.9206 -2.9008 -2.9008 -2.5422 -2.5422 -2.4055 -2.4055 -2.3363 -2.3363 -2.3097 -2.3097 2.3099 2.3099 2.3737 2.3737 2.5389 2.5389 7.3130 7.3130 7.7879 7.7879 9.3531 9.3531 k = 0.0417-0.0295 0.6124 ( 4820 PWs) bands (ev): -62.8997 -62.8997 -38.8834 -38.8834 -36.4778 -36.4778 -36.4776 -36.4776 -22.6815 -22.6815 -22.5896 -22.5896 -22.5749 -22.5749 -21.7270 -21.7270 -21.5837 -21.5837 -21.4869 -21.4869 -6.3569 -6.3569 -5.9052 -5.9052 -5.6967 -5.6967 -5.6138 -5.6138 -5.4594 -5.4594 -4.3683 -4.3683 -3.7789 -3.7789 -3.6873 -3.6873 -3.4150 -3.4150 -3.3701 -3.3701 -3.0502 -3.0502 -2.9920 -2.9920 -2.9207 -2.9207 -2.9007 -2.9007 -2.5413 -2.5413 -2.4076 -2.4076 -2.3376 -2.3376 -2.3104 -2.3104 2.3081 2.3081 2.3724 2.3724 2.5386 2.5386 7.3166 7.3166 7.8010 7.8010 9.3409 9.3409 k = 0.0278-0.0196 0.6124 ( 4820 PWs) bands (ev): -62.8997 -62.8997 -38.8834 -38.8834 -36.4778 -36.4778 -36.4776 -36.4776 -22.6815 -22.6815 -22.5884 -22.5884 -22.5740 -22.5740 -21.7282 -21.7282 -21.5850 -21.5850 -21.4870 -21.4870 -6.3555 -6.3555 -5.8972 -5.8972 -5.6984 -5.6984 -5.6147 -5.6147 -5.4592 -5.4592 -4.3575 -4.3575 -3.7864 -3.7864 -3.6944 -3.6944 -3.4125 -3.4125 -3.3746 -3.3746 -3.0521 -3.0521 -2.9915 -2.9915 -2.9207 -2.9207 -2.9006 -2.9006 -2.5405 -2.5405 -2.4091 -2.4091 -2.3386 -2.3386 -2.3110 -2.3110 2.3068 2.3068 2.3714 2.3714 2.5383 2.5383 7.3193 7.3193 7.8105 7.8105 9.3322 9.3322 k = 0.0139-0.0098 0.6124 ( 4842 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4779 -36.4779 -36.4776 -36.4776 -22.6815 -22.6815 -22.5877 -22.5877 -22.5735 -22.5735 -21.7289 -21.7289 -21.5858 -21.5858 -21.4871 -21.4871 -6.3546 -6.3546 -5.8923 -5.8923 -5.6994 -5.6994 -5.6152 -5.6152 -5.4591 -5.4591 -4.3507 -4.3507 -3.7912 -3.7912 -3.6988 -3.6988 -3.4110 -3.4110 -3.3773 -3.3773 -3.0533 -3.0533 -2.9913 -2.9913 -2.9207 -2.9207 -2.9006 -2.9006 -2.5401 -2.5401 -2.4101 -2.4101 -2.3392 -2.3392 -2.3113 -2.3113 2.3060 2.3060 2.3709 2.3709 2.5382 2.5382 7.3208 7.3208 7.8163 7.8163 9.3270 9.3270 k = 0.0000 0.0000 0.6124 ( 4842 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4779 -36.4779 -36.4776 -36.4776 -22.6815 -22.6815 -22.5875 -22.5875 -22.5733 -22.5733 -21.7291 -21.7291 -21.5860 -21.5860 -21.4872 -21.4872 -6.3543 -6.3543 -5.8907 -5.8907 -5.6998 -5.6998 -5.6153 -5.6153 -5.4590 -5.4590 -4.3484 -4.3484 -3.7928 -3.7928 -3.7003 -3.7003 -3.4104 -3.4104 -3.3781 -3.3781 -3.0537 -3.0537 -2.9912 -2.9912 -2.9207 -2.9207 -2.9006 -2.9006 -2.5399 -2.5399 -2.4104 -2.4104 -2.3394 -2.3394 -2.3114 -2.3114 2.3058 2.3058 2.3707 2.3707 2.5382 2.5382 7.3214 7.3214 7.8182 7.8182 9.3252 9.3252 k = 0.0000 0.0000 0.6124 ( 4842 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4779 -36.4779 -36.4776 -36.4776 -22.6815 -22.6815 -22.5875 -22.5875 -22.5733 -22.5733 -21.7291 -21.7291 -21.5860 -21.5860 -21.4872 -21.4872 -6.3543 -6.3543 -5.8907 -5.8907 -5.6998 -5.6998 -5.6153 -5.6153 -5.4590 -5.4590 -4.3484 -4.3484 -3.7928 -3.7928 -3.7003 -3.7003 -3.4104 -3.4104 -3.3781 -3.3781 -3.0537 -3.0537 -2.9912 -2.9912 -2.9207 -2.9207 -2.9006 -2.9006 -2.5399 -2.5399 -2.4104 -2.4104 -2.3394 -2.3394 -2.3114 -2.3114 2.3058 2.3058 2.3707 2.3707 2.5382 2.5382 7.3214 7.3214 7.8182 7.8182 9.3252 9.3252 k = 0.0000 0.0000 0.5954 ( 4850 PWs) bands (ev): -62.8999 -62.8999 -38.8835 -38.8835 -36.4779 -36.4779 -36.4776 -36.4776 -22.6815 -22.6815 -22.5876 -22.5876 -22.5736 -22.5736 -21.7289 -21.7289 -21.5858 -21.5858 -21.4871 -21.4871 -6.3545 -6.3545 -5.8921 -5.8921 -5.6996 -5.6996 -5.6153 -5.6153 -5.4593 -5.4593 -4.3513 -4.3513 -3.7911 -3.7911 -3.6987 -3.6987 -3.4104 -3.4104 -3.3763 -3.3763 -3.0537 -3.0537 -2.9910 -2.9910 -2.9213 -2.9213 -2.9012 -2.9012 -2.5399 -2.5399 -2.4100 -2.4100 -2.3391 -2.3391 -2.3112 -2.3112 2.3060 2.3060 2.3709 2.3709 2.5382 2.5382 7.3212 7.3212 7.8172 7.8172 9.2397 9.2397 k = 0.0000 0.0000 0.5784 ( 4846 PWs) bands (ev): -62.8999 -62.8999 -38.8835 -38.8835 -36.4779 -36.4779 -36.4776 -36.4776 -22.6815 -22.6815 -22.5882 -22.5882 -22.5744 -22.5744 -21.7282 -21.7282 -21.5850 -21.5850 -21.4870 -21.4870 -6.3550 -6.3550 -5.8964 -5.8964 -5.6990 -5.6990 -5.6153 -5.6153 -5.4600 -5.4600 -4.3598 -4.3598 -3.7859 -3.7859 -3.6942 -3.6942 -3.4101 -3.4101 -3.3706 -3.3706 -3.0539 -3.0539 -2.9906 -2.9906 -2.9231 -2.9231 -2.9029 -2.9029 -2.5398 -2.5398 -2.4086 -2.4086 -2.3381 -2.3381 -2.3106 -2.3106 2.3068 2.3068 2.3714 2.3714 2.5383 2.5383 7.3208 7.3208 7.8140 7.8140 9.1324 9.1324 k = 0.0000 0.0000 0.5613 ( 4838 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4779 -36.4779 -36.4776 -36.4776 -22.6815 -22.6815 -22.5891 -22.5891 -22.5757 -22.5757 -21.7270 -21.7270 -21.5837 -21.5837 -21.4868 -21.4868 -6.3559 -6.3559 -5.9035 -5.9035 -5.6981 -5.6981 -5.6152 -5.6152 -5.4612 -5.4612 -4.3733 -4.3733 -3.7777 -3.7777 -3.6868 -3.6868 -3.4097 -3.4097 -3.3613 -3.3613 -3.0543 -3.0543 -2.9897 -2.9897 -2.9261 -2.9261 -2.9058 -2.9058 -2.5395 -2.5395 -2.4064 -2.4064 -2.3366 -2.3366 -2.3097 -2.3097 2.3081 2.3081 2.3724 2.3724 2.5386 2.5386 7.3201 7.3201 7.8087 7.8087 9.0254 9.0254 k = 0.0000 0.0000 0.5443 ( 4832 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4779 -36.4779 -36.4776 -36.4776 -22.6815 -22.6815 -22.5904 -22.5904 -22.5775 -22.5775 -21.7253 -21.7253 -21.5819 -21.5819 -21.4866 -21.4866 -6.3571 -6.3571 -5.9132 -5.9132 -5.6968 -5.6968 -5.6151 -5.6151 -5.4628 -5.4628 -4.3913 -4.3913 -3.7668 -3.7668 -3.6770 -3.6770 -3.4091 -3.4091 -3.3483 -3.3483 -3.0552 -3.0552 -2.9881 -2.9881 -2.9302 -2.9302 -2.9097 -2.9097 -2.5392 -2.5392 -2.4033 -2.4033 -2.3346 -2.3346 -2.3083 -2.3083 2.3099 2.3099 2.3737 2.3737 2.5389 2.5389 7.3192 7.3192 7.8014 7.8014 8.9196 8.9196 k = 0.0000 0.0000 0.5273 ( 4832 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4779 -36.4779 -36.4776 -36.4776 -22.6815 -22.6815 -22.5920 -22.5920 -22.5797 -22.5797 -21.7232 -21.7232 -21.5796 -21.5796 -21.4863 -21.4863 -6.3586 -6.3586 -5.9255 -5.9255 -5.6952 -5.6952 -5.6150 -5.6150 -5.4649 -5.4649 -4.4129 -4.4129 -3.7539 -3.7539 -3.6653 -3.6653 -3.4084 -3.4084 -3.3318 -3.3318 -3.0568 -3.0568 -2.9855 -2.9855 -2.9354 -2.9354 -2.9146 -2.9146 -2.5387 -2.5387 -2.3995 -2.3995 -2.3320 -2.3320 -2.3066 -2.3066 2.3122 2.3122 2.3753 2.3753 2.5393 2.5393 7.3179 7.3179 7.7921 7.7921 8.8154 8.8154 k = 0.0000 0.0000 0.5103 ( 4848 PWs) bands (ev): -62.8999 -62.8999 -38.8835 -38.8835 -36.4779 -36.4779 -36.4776 -36.4776 -22.6815 -22.6815 -22.5939 -22.5939 -22.5824 -22.5824 -21.7207 -21.7207 -21.5769 -21.5769 -21.4859 -21.4859 -6.3605 -6.3605 -5.9402 -5.9402 -5.6932 -5.6932 -5.6148 -5.6148 -5.4674 -5.4674 -4.4373 -4.4373 -3.7394 -3.7394 -3.6521 -3.6521 -3.4075 -3.4075 -3.3121 -3.3121 -3.0593 -3.0593 -2.9817 -2.9817 -2.9416 -2.9416 -2.9203 -2.9203 -2.5382 -2.5382 -2.3950 -2.3950 -2.3290 -2.3290 -2.3046 -2.3046 2.3150 2.3150 2.3773 2.3773 2.5398 2.5398 7.3165 7.3165 7.7809 7.7809 8.7129 8.7129 k = 0.0000 0.0000 0.4933 ( 4840 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4779 -36.4779 -36.4776 -36.4776 -22.6815 -22.6815 -22.5961 -22.5961 -22.5856 -22.5856 -21.7179 -21.7179 -21.5737 -21.5737 -21.4854 -21.4854 -6.3627 -6.3627 -5.9569 -5.9569 -5.6909 -5.6909 -5.6145 -5.6145 -5.4703 -5.4703 -4.4639 -4.4639 -3.7236 -3.7236 -3.6377 -3.6377 -3.4065 -3.4065 -3.2892 -3.2892 -3.0627 -3.0627 -2.9766 -2.9766 -2.9487 -2.9487 -2.9266 -2.9266 -2.5376 -2.5376 -2.3898 -2.3898 -2.3256 -2.3256 -2.3022 -2.3022 2.3182 2.3182 2.3795 2.3795 2.5405 2.5405 7.3147 7.3147 7.7678 7.7678 8.6123 8.6123 k = 0.0000 0.0000 0.4763 ( 4848 PWs) bands (ev): -62.8999 -62.8999 -38.8835 -38.8835 -36.4779 -36.4779 -36.4776 -36.4776 -22.6815 -22.6815 -22.5987 -22.5987 -22.5891 -22.5891 -21.7147 -21.7147 -21.5701 -21.5701 -21.4849 -21.4849 -6.3653 -6.3653 -5.9755 -5.9755 -5.6882 -5.6882 -5.6142 -5.6142 -5.4736 -5.4736 -4.4920 -4.4920 -3.7070 -3.7070 -3.6225 -3.6225 -3.4054 -3.4054 -3.2638 -3.2638 -3.0671 -3.0671 -2.9709 -2.9709 -2.9561 -2.9561 -2.9332 -2.9332 -2.5369 -2.5369 -2.3841 -2.3841 -2.3218 -2.3218 -2.2995 -2.2995 2.3218 2.3218 2.3820 2.3820 2.5412 2.5412 7.3127 7.3127 7.7531 7.7531 8.5136 8.5136 k = 0.0000 0.0000 0.4593 ( 4860 PWs) bands (ev): -62.8999 -62.8999 -38.8835 -38.8835 -36.4779 -36.4779 -36.4776 -36.4776 -22.6815 -22.6815 -22.6014 -22.6014 -22.5929 -22.5929 -21.7112 -21.7112 -21.5662 -21.5662 -21.4843 -21.4843 -6.3682 -6.3682 -5.9959 -5.9959 -5.6853 -5.6853 -5.6137 -5.6137 -5.4773 -5.4773 -4.5210 -4.5210 -3.6899 -3.6899 -3.6069 -3.6069 -3.4041 -3.4041 -3.2362 -3.2362 -3.0724 -3.0724 -2.9699 -2.9699 -2.9595 -2.9595 -2.9386 -2.9386 -2.5362 -2.5362 -2.3779 -2.3779 -2.3177 -2.3177 -2.2964 -2.2964 2.3258 2.3258 2.3847 2.3847 2.5421 2.5421 7.3105 7.3105 7.7367 7.7367 8.4170 8.4170 k = 0.0000 0.0000 0.4423 ( 4848 PWs) bands (ev): -62.8999 -62.8999 -38.8835 -38.8835 -36.4779 -36.4779 -36.4776 -36.4776 -22.6815 -22.6815 -22.6044 -22.6044 -22.5971 -22.5971 -21.7074 -21.7074 -21.5619 -21.5619 -21.4836 -21.4836 -6.3713 -6.3713 -6.0175 -6.0175 -5.6821 -5.6821 -5.6132 -5.6132 -5.4812 -5.4812 -4.5506 -4.5506 -3.6725 -3.6725 -3.5909 -3.5909 -3.4027 -3.4027 -3.2071 -3.2071 -3.0785 -3.0785 -2.9778 -2.9778 -2.9591 -2.9591 -2.9381 -2.9381 -2.5353 -2.5353 -2.3713 -2.3713 -2.3134 -2.3134 -2.2931 -2.2931 2.3302 2.3302 2.3877 2.3877 2.5431 2.5431 7.3081 7.3081 7.7188 7.7188 8.3226 8.3226 k = 0.0000 0.0000 0.4253 ( 4853 PWs) bands (ev): -62.8999 -62.8999 -38.8835 -38.8835 -36.4778 -36.4778 -36.4776 -36.4776 -22.6815 -22.6815 -22.6076 -22.6076 -22.6015 -22.6015 -21.7034 -21.7034 -21.5573 -21.5573 -21.4829 -21.4829 -6.3748 -6.3748 -6.0404 -6.0404 -5.6787 -5.6787 -5.6126 -5.6126 -5.4854 -5.4854 -4.5805 -4.5805 -3.6553 -3.6553 -3.5747 -3.5747 -3.4012 -3.4012 -3.1772 -3.1772 -3.0853 -3.0853 -2.9877 -2.9877 -2.9638 -2.9638 -2.9291 -2.9291 -2.5343 -2.5343 -2.3643 -2.3643 -2.3090 -2.3090 -2.2896 -2.2896 2.3349 2.3349 2.3907 2.3907 2.5443 2.5443 7.3054 7.3054 7.6996 7.6996 8.2306 8.2306 k = 0.0000 0.0000 0.4082 ( 4875 PWs) bands (ev): -62.9000 -62.9000 -38.8836 -38.8836 -36.4779 -36.4779 -36.4776 -36.4776 -22.6815 -22.6815 -22.6110 -22.6110 -22.6062 -22.6062 -21.6992 -21.6992 -21.5525 -21.5525 -21.4821 -21.4821 -6.3785 -6.3785 -6.0642 -6.0642 -5.6750 -5.6750 -5.6120 -5.6120 -5.4898 -5.4898 -4.6102 -4.6102 -3.6383 -3.6383 -3.5584 -3.5584 -3.3996 -3.3996 -3.1477 -3.1477 -3.0925 -3.0925 -2.9984 -2.9984 -2.9702 -2.9702 -2.9159 -2.9159 -2.5333 -2.5333 -2.3572 -2.3572 -2.3043 -2.3043 -2.2859 -2.2859 2.3398 2.3398 2.3939 2.3939 2.5456 2.5456 7.3025 7.3025 7.6792 7.6792 8.1409 8.1409 k = 0.0000 0.0000 0.3912 ( 4855 PWs) bands (ev): -62.8999 -62.8999 -38.8835 -38.8835 -36.4778 -36.4778 -36.4776 -36.4776 -22.6815 -22.6815 -22.6145 -22.6145 -22.6110 -22.6110 -21.6948 -21.6948 -21.5474 -21.5474 -21.4812 -21.4812 -6.3825 -6.3825 -6.0886 -6.0886 -5.6711 -5.6711 -5.6112 -5.6112 -5.4944 -5.4944 -4.6396 -4.6396 -3.6217 -3.6217 -3.5422 -3.5422 -3.3979 -3.3979 -3.1200 -3.1200 -3.1001 -3.1001 -3.0093 -3.0093 -2.9751 -2.9751 -2.9001 -2.9001 -2.5321 -2.5321 -2.3499 -2.3499 -2.2996 -2.2996 -2.2819 -2.2819 2.3450 2.3450 2.3971 2.3971 2.5471 2.5471 7.2994 7.2994 7.6578 7.6578 8.0539 8.0539 k = 0.0000 0.0000 0.3742 ( 4851 PWs) bands (ev): -62.8999 -62.8999 -38.8835 -38.8835 -36.4778 -36.4778 -36.4776 -36.4776 -22.6816 -22.6816 -22.6182 -22.6182 -22.6160 -22.6160 -21.6904 -21.6904 -21.5422 -21.5422 -21.4802 -21.4802 -6.3867 -6.3867 -6.1135 -6.1135 -5.6671 -5.6671 -5.6103 -5.6103 -5.4991 -5.4991 -4.6685 -4.6685 -3.6056 -3.6056 -3.5263 -3.5263 -3.3961 -3.3961 -3.1081 -3.1081 -3.0972 -3.0972 -3.0203 -3.0203 -2.9758 -2.9758 -2.8823 -2.8823 -2.5309 -2.5309 -2.3425 -2.3425 -2.2948 -2.2948 -2.2778 -2.2778 2.3504 2.3504 2.4003 2.4003 2.5487 2.5487 7.2961 7.2961 7.6355 7.6355 7.9695 7.9695 k = 0.0000 0.0000 0.3572 ( 4853 PWs) bands (ev): -62.8999 -62.8999 -38.8835 -38.8835 -36.4778 -36.4778 -36.4776 -36.4776 -22.6816 -22.6816 -22.6219 -22.6219 -22.6210 -22.6210 -21.6859 -21.6859 -21.5368 -21.5368 -21.4792 -21.4792 -6.3912 -6.3912 -6.1387 -6.1387 -5.6630 -5.6630 -5.6093 -5.6093 -5.5040 -5.5040 -4.6966 -4.6966 -3.5902 -3.5902 -3.5108 -3.5108 -3.3942 -3.3942 -3.1162 -3.1162 -3.0831 -3.0831 -3.0314 -3.0314 -2.9686 -2.9686 -2.8629 -2.8629 -2.5296 -2.5296 -2.3351 -2.3351 -2.2899 -2.2899 -2.2737 -2.2737 2.3559 2.3559 2.4035 2.4035 2.5505 2.5505 7.2926 7.2926 7.6125 7.6125 7.8880 7.8880 k = 0.0000 0.0000 0.3402 ( 4857 PWs) bands (ev): -62.8999 -62.8999 -38.8835 -38.8835 -36.4778 -36.4778 -36.4776 -36.4776 -22.6817 -22.6817 -22.6261 -22.6261 -22.6256 -22.6256 -21.6814 -21.6814 -21.5314 -21.5314 -21.4781 -21.4781 -6.3958 -6.3958 -6.1638 -6.1638 -5.6587 -5.6587 -5.6082 -5.6082 -5.5088 -5.5088 -4.7239 -4.7239 -3.5753 -3.5753 -3.4957 -3.4957 -3.3922 -3.3922 -3.1244 -3.1244 -3.0793 -3.0793 -3.0425 -3.0425 -2.9516 -2.9516 -2.8419 -2.8419 -2.5282 -2.5282 -2.3277 -2.3277 -2.2850 -2.2850 -2.2694 -2.2694 2.3616 2.3616 2.4067 2.4067 2.5524 2.5524 7.2889 7.2889 7.5890 7.5890 7.8095 7.8095 k = 0.0000 0.0000 0.3232 ( 4861 PWs) bands (ev): -62.8999 -62.8999 -38.8835 -38.8835 -36.4778 -36.4778 -36.4776 -36.4776 -22.6818 -22.6818 -22.6312 -22.6312 -22.6295 -22.6295 -21.6770 -21.6770 -21.5258 -21.5258 -21.4770 -21.4770 -6.4005 -6.4005 -6.1888 -6.1888 -5.6544 -5.6544 -5.6070 -5.6070 -5.5137 -5.5137 -4.7502 -4.7502 -3.5612 -3.5612 -3.4814 -3.4814 -3.3901 -3.3901 -3.1325 -3.1325 -3.0833 -3.0833 -3.0538 -3.0538 -2.9277 -2.9277 -2.8195 -2.8195 -2.5268 -2.5268 -2.3205 -2.3205 -2.2801 -2.2801 -2.2652 -2.2652 2.3673 2.3673 2.4097 2.4097 2.5545 2.5545 7.2848 7.2848 7.5651 7.5651 7.7342 7.7342 k = 0.0000 0.0000 0.3062 ( 4861 PWs) bands (ev): -62.8999 -62.8999 -38.8835 -38.8835 -36.4777 -36.4777 -36.4776 -36.4776 -22.6819 -22.6819 -22.6362 -22.6362 -22.6333 -22.6333 -21.6725 -21.6725 -21.5203 -21.5203 -21.4759 -21.4759 -6.4054 -6.4054 -6.2135 -6.2135 -5.6501 -5.6501 -5.6058 -5.6058 -5.5185 -5.5185 -4.7754 -4.7754 -3.5477 -3.5477 -3.4678 -3.4678 -3.3880 -3.3880 -3.1407 -3.1407 -3.0915 -3.0915 -3.0653 -3.0653 -2.9002 -2.9002 -2.7959 -2.7959 -2.5252 -2.5252 -2.3135 -2.3135 -2.2752 -2.2752 -2.2610 -2.2610 2.3730 2.3730 2.4126 2.4126 2.5567 2.5567 7.2804 7.2804 7.5411 7.5411 7.6622 7.6622 k = 0.0000 0.0000 0.2892 ( 4863 PWs) bands (ev): -62.9000 -62.9000 -38.8835 -38.8835 -36.4777 -36.4777 -36.4776 -36.4776 -22.6821 -22.6821 -22.6411 -22.6411 -22.6370 -22.6370 -21.6682 -21.6682 -21.5148 -21.5148 -21.4747 -21.4747 -6.4103 -6.4103 -6.2377 -6.2377 -5.6457 -5.6457 -5.6046 -5.6046 -5.5232 -5.5232 -4.7995 -4.7995 -3.5348 -3.5348 -3.4550 -3.4550 -3.3858 -3.3858 -3.1486 -3.1486 -3.1016 -3.1016 -3.0770 -3.0770 -2.8715 -2.8715 -2.7714 -2.7714 -2.5235 -2.5235 -2.3068 -2.3068 -2.2703 -2.2703 -2.2568 -2.2568 2.3787 2.3787 2.4154 2.4154 2.5590 2.5590 7.2755 7.2755 7.5170 7.5170 7.5940 7.5940 k = 0.0000 0.0000 0.2722 ( 4871 PWs) bands (ev): -62.9000 -62.9000 -38.8835 -38.8835 -36.4777 -36.4777 -36.4776 -36.4776 -22.6824 -22.6824 -22.6458 -22.6458 -22.6407 -22.6407 -21.6641 -21.6641 -21.5094 -21.5094 -21.4734 -21.4734 -6.4153 -6.4153 -6.2612 -6.2612 -5.6415 -5.6415 -5.6034 -5.6034 -5.5277 -5.5277 -4.8224 -4.8224 -3.5227 -3.5227 -3.4431 -3.4431 -3.3836 -3.3836 -3.1564 -3.1564 -3.1126 -3.1126 -3.0889 -3.0889 -2.8428 -2.8428 -2.7463 -2.7463 -2.5218 -2.5218 -2.3003 -2.3003 -2.2655 -2.2655 -2.2528 -2.2528 2.3843 2.3843 2.4181 2.4181 2.5615 2.5615 7.2699 7.2699 7.4932 7.4932 7.5298 7.5298 k = 0.0000 0.0000 0.2552 ( 4851 PWs) bands (ev): -62.8999 -62.8999 -38.8834 -38.8834 -36.4776 -36.4776 -36.4775 -36.4775 -22.6828 -22.6828 -22.6503 -22.6503 -22.6443 -22.6443 -21.6600 -21.6600 -21.5041 -21.5041 -21.4722 -21.4722 -6.4203 -6.4203 -6.2839 -6.2839 -5.6373 -5.6373 -5.6022 -5.6022 -5.5320 -5.5320 -4.8440 -4.8440 -3.5113 -3.5113 -3.4321 -3.4321 -3.3813 -3.3813 -3.1639 -3.1639 -3.1239 -3.1239 -3.1006 -3.1006 -2.8148 -2.8148 -2.7207 -2.7207 -2.5199 -2.5199 -2.2942 -2.2942 -2.2606 -2.2606 -2.2488 -2.2488 2.3898 2.3898 2.4205 2.4205 2.5640 2.5640 7.2629 7.2629 7.4696 7.4696 7.4705 7.4705 k = 0.0000 0.0000 0.2381 ( 4849 PWs) bands (ev): -62.8999 -62.8999 -38.8834 -38.8834 -36.4776 -36.4776 -36.4775 -36.4775 -22.6832 -22.6832 -22.6545 -22.6545 -22.6478 -22.6478 -21.6562 -21.6562 -21.4990 -21.4990 -21.4709 -21.4709 -6.4252 -6.4252 -6.3057 -6.3057 -5.6332 -5.6332 -5.6011 -5.6011 -5.5359 -5.5359 -4.8643 -4.8643 -3.5007 -3.5007 -3.4220 -3.4220 -3.3790 -3.3790 -3.1711 -3.1711 -3.1352 -3.1352 -3.1122 -3.1122 -2.7879 -2.7879 -2.6952 -2.6952 -2.5178 -2.5178 -2.2884 -2.2884 -2.2559 -2.2559 -2.2450 -2.2450 2.3951 2.3951 2.4228 2.4228 2.5665 2.5665 7.2537 7.2537 7.4168 7.4168 7.4468 7.4468 k = 0.0000 0.0000 0.2211 ( 4857 PWs) bands (ev): -62.8999 -62.8999 -38.8834 -38.8834 -36.4776 -36.4776 -36.4775 -36.4775 -22.6838 -22.6838 -22.6584 -22.6584 -22.6512 -22.6512 -21.6525 -21.6525 -21.4941 -21.4941 -21.4696 -21.4696 -6.4300 -6.4300 -6.3265 -6.3265 -5.6293 -5.6293 -5.6002 -5.6002 -5.5395 -5.5395 -4.8832 -4.8832 -3.4909 -3.4909 -3.4128 -3.4128 -3.3766 -3.3766 -3.1780 -3.1780 -3.1462 -3.1462 -3.1235 -3.1235 -2.7623 -2.7623 -2.6700 -2.6700 -2.5156 -2.5156 -2.2830 -2.2830 -2.2513 -2.2513 -2.2414 -2.2414 2.4003 2.4003 2.4248 2.4248 2.5691 2.5691 7.2403 7.2403 7.3711 7.3711 7.4246 7.4246 k = 0.0000 0.0000 0.2041 ( 4855 PWs) bands (ev): -62.8999 -62.8999 -38.8834 -38.8834 -36.4776 -36.4776 -36.4775 -36.4775 -22.6846 -22.6846 -22.6619 -22.6619 -22.6544 -22.6544 -21.6491 -21.6491 -21.4893 -21.4893 -21.4684 -21.4684 -6.4347 -6.4347 -6.3461 -6.3461 -5.6256 -5.6256 -5.5994 -5.5994 -5.5426 -5.5426 -4.9008 -4.9008 -3.4819 -3.4819 -3.4044 -3.4044 -3.3743 -3.3743 -3.1845 -3.1845 -3.1569 -3.1569 -3.1342 -3.1342 -2.7383 -2.7383 -2.6453 -2.6453 -2.5132 -2.5132 -2.2781 -2.2781 -2.2468 -2.2468 -2.2380 -2.2380 2.4052 2.4052 2.4267 2.4267 2.5717 2.5717 7.2201 7.2201 7.3359 7.3359 7.4033 7.4033 k = 0.0000 0.0000 0.1871 ( 4863 PWs) bands (ev): -62.9000 -62.9000 -38.8834 -38.8834 -36.4776 -36.4776 -36.4775 -36.4775 -22.6857 -22.6857 -22.6649 -22.6649 -22.6574 -22.6574 -21.6459 -21.6459 -21.4849 -21.4849 -21.4672 -21.4672 -6.4393 -6.4393 -6.3645 -6.3645 -5.6221 -5.6221 -5.5989 -5.5989 -5.5453 -5.5453 -4.9170 -4.9170 -3.4737 -3.4737 -3.3967 -3.3967 -3.3719 -3.3719 -3.1907 -3.1907 -3.1671 -3.1671 -3.1445 -3.1445 -2.7160 -2.7160 -2.6217 -2.6217 -2.5106 -2.5106 -2.2735 -2.2735 -2.2425 -2.2425 -2.2348 -2.2348 2.4099 2.4099 2.4284 2.4284 2.5742 2.5742 7.1923 7.1923 7.3124 7.3124 7.3831 7.3831 k = 0.0000 0.0000 0.1701 ( 4863 PWs) bands (ev): -62.9000 -62.9000 -38.8834 -38.8834 -36.4776 -36.4776 -36.4775 -36.4775 -22.6870 -22.6870 -22.6674 -22.6674 -22.6602 -22.6602 -21.6429 -21.6429 -21.4807 -21.4807 -21.4660 -21.4660 -6.4436 -6.4436 -6.3816 -6.3816 -5.6189 -5.6189 -5.5987 -5.5987 -5.5474 -5.5474 -4.9317 -4.9317 -3.4665 -3.4665 -3.3898 -3.3898 -3.3697 -3.3697 -3.1963 -3.1963 -3.1766 -3.1766 -3.1540 -3.1540 -2.6956 -2.6956 -2.5993 -2.5993 -2.5079 -2.5079 -2.2694 -2.2694 -2.2385 -2.2385 -2.2318 -2.2318 2.4143 2.4143 2.4299 2.4299 2.5766 2.5766 7.1596 7.1596 7.2978 7.2978 7.3640 7.3640 k = 0.0000 0.0000 0.1531 ( 4871 PWs) bands (ev): -62.9000 -62.9000 -38.8834 -38.8834 -36.4776 -36.4776 -36.4775 -36.4775 -22.6885 -22.6885 -22.6694 -22.6694 -22.6628 -22.6628 -21.6403 -21.6403 -21.4768 -21.4768 -21.4649 -21.4649 -6.4476 -6.4476 -6.3973 -6.3973 -5.6159 -5.6159 -5.5987 -5.5987 -5.5490 -5.5490 -4.9451 -4.9451 -3.4600 -3.4600 -3.3836 -3.3836 -3.3675 -3.3675 -3.2016 -3.2016 -3.1855 -3.1855 -3.1629 -3.1629 -2.6771 -2.6771 -2.5783 -2.5783 -2.5049 -2.5049 -2.2657 -2.2657 -2.2347 -2.2347 -2.2291 -2.2291 2.4183 2.4183 2.4313 2.4313 2.5789 2.5789 7.1257 7.1257 7.2885 7.2885 7.3463 7.3463 k = 0.0000 0.0000 0.1361 ( 4863 PWs) bands (ev): -62.8999 -62.8999 -38.8834 -38.8834 -36.4776 -36.4776 -36.4775 -36.4775 -22.6901 -22.6901 -22.6709 -22.6709 -22.6652 -22.6652 -21.6378 -21.6378 -21.4733 -21.4733 -21.4638 -21.4638 -6.4513 -6.4513 -6.4115 -6.4115 -5.6132 -5.6132 -5.5990 -5.5990 -5.5502 -5.5502 -4.9570 -4.9570 -3.4544 -3.4544 -3.3781 -3.3781 -3.3654 -3.3654 -3.2064 -3.2064 -3.1937 -3.1937 -3.1709 -3.1709 -2.6607 -2.6607 -2.5590 -2.5590 -2.5017 -2.5017 -2.2624 -2.2624 -2.2311 -2.2311 -2.2266 -2.2266 2.4220 2.4220 2.4324 2.4324 2.5811 2.5811 7.0932 7.0932 7.2822 7.2822 7.3301 7.3301 k = 0.0000 0.0000 0.1191 ( 4867 PWs) bands (ev): -62.9000 -62.9000 -38.8834 -38.8834 -36.4775 -36.4775 -36.4775 -36.4775 -22.6918 -22.6918 -22.6721 -22.6721 -22.6674 -22.6674 -21.6357 -21.6357 -21.4701 -21.4701 -21.4628 -21.4628 -6.4547 -6.4547 -6.4241 -6.4241 -5.6108 -5.6108 -5.5995 -5.5995 -5.5509 -5.5509 -4.9676 -4.9676 -3.4496 -3.4496 -3.3732 -3.3732 -3.3636 -3.3636 -3.2107 -3.2107 -3.2010 -3.2010 -3.1780 -3.1780 -2.6465 -2.6465 -2.5416 -2.5416 -2.4983 -2.4983 -2.2594 -2.2594 -2.2280 -2.2280 -2.2244 -2.2244 2.4253 2.4253 2.4334 2.4334 2.5831 2.5831 7.0633 7.0633 7.2775 7.2775 7.3155 7.3155 k = 0.0000 0.0000 0.1021 ( 4865 PWs) bands (ev): -62.9000 -62.9000 -38.8834 -38.8834 -36.4775 -36.4775 -36.4775 -36.4775 -22.6935 -22.6935 -22.6729 -22.6729 -22.6692 -22.6692 -21.6338 -21.6338 -21.4673 -21.4673 -21.4620 -21.4620 -6.4577 -6.4577 -6.4352 -6.4352 -5.6087 -5.6087 -5.6001 -5.6001 -5.5513 -5.5513 -4.9767 -4.9767 -3.4456 -3.4456 -3.3690 -3.3690 -3.3619 -3.3619 -3.2145 -3.2145 -3.2075 -3.2075 -3.1841 -3.1841 -2.6344 -2.6344 -2.5262 -2.5262 -2.4949 -2.4949 -2.2569 -2.2569 -2.2251 -2.2251 -2.2225 -2.2225 2.4282 2.4282 2.4343 2.4343 2.5848 2.5848 7.0367 7.0367 7.2740 7.2740 7.3026 7.3026 k = 0.0000 0.0000 0.0851 ( 4863 PWs) bands (ev): -62.8999 -62.8999 -38.8834 -38.8834 -36.4775 -36.4775 -36.4775 -36.4775 -22.6950 -22.6950 -22.6735 -22.6735 -22.6708 -22.6708 -21.6323 -21.6323 -21.4649 -21.4649 -21.4612 -21.4612 -6.4603 -6.4603 -6.4447 -6.4447 -5.6069 -5.6069 -5.6008 -5.6008 -5.5514 -5.5514 -4.9844 -4.9844 -3.4423 -3.4423 -3.3654 -3.3654 -3.3605 -3.3605 -3.2179 -3.2179 -3.2130 -3.2130 -3.1893 -3.1893 -2.6244 -2.6244 -2.5130 -2.5130 -2.4916 -2.4916 -2.2548 -2.2548 -2.2227 -2.2227 -2.2208 -2.2208 2.4307 2.4307 2.4350 2.4350 2.5864 2.5864 7.0138 7.0138 7.2713 7.2713 7.2915 7.2915 k = 0.0000 0.0000 0.0680 ( 4865 PWs) bands (ev): -62.8999 -62.8999 -38.8834 -38.8834 -36.4775 -36.4775 -36.4775 -36.4775 -22.6964 -22.6964 -22.6739 -22.6739 -22.6722 -22.6722 -21.6310 -21.6310 -21.4630 -21.4630 -21.4606 -21.4606 -6.4625 -6.4625 -6.4524 -6.4524 -5.6055 -5.6055 -5.6015 -5.6015 -5.5514 -5.5514 -4.9907 -4.9907 -3.4397 -3.4397 -3.3624 -3.3624 -3.3593 -3.3593 -3.2207 -3.2207 -3.2176 -3.2176 -3.1936 -3.1936 -2.6165 -2.6165 -2.5020 -2.5020 -2.4885 -2.4885 -2.2531 -2.2531 -2.2207 -2.2207 -2.2195 -2.2195 2.4328 2.4328 2.4355 2.4355 2.5877 2.5877 6.9949 6.9949 7.2692 7.2692 7.2823 7.2823 k = 0.0000 0.0000 0.0510 ( 4877 PWs) bands (ev): -62.9000 -62.9000 -38.8834 -38.8834 -36.4775 -36.4775 -36.4775 -36.4775 -22.6975 -22.6975 -22.6742 -22.6742 -22.6732 -22.6732 -21.6300 -21.6300 -21.4614 -21.4614 -21.4601 -21.4601 -6.4642 -6.4642 -6.4586 -6.4586 -5.6044 -5.6044 -5.6020 -5.6020 -5.5513 -5.5513 -4.9956 -4.9956 -3.4377 -3.4377 -3.3601 -3.3601 -3.3583 -3.3583 -3.2229 -3.2229 -3.2212 -3.2212 -3.1968 -3.1968 -2.6106 -2.6106 -2.4934 -2.4934 -2.4859 -2.4859 -2.2518 -2.2518 -2.2191 -2.2191 -2.2184 -2.2184 2.4344 2.4344 2.4360 2.4360 2.5887 2.5887 6.9801 6.9801 7.2676 7.2676 7.2750 7.2750 k = 0.0000 0.0000 0.0340 ( 4897 PWs) bands (ev): -62.9002 -62.9002 -38.8834 -38.8834 -36.4775 -36.4775 -36.4775 -36.4775 -22.6983 -22.6983 -22.6744 -22.6744 -22.6740 -22.6740 -21.6293 -21.6293 -21.4603 -21.4603 -21.4597 -21.4597 -6.4654 -6.4654 -6.4630 -6.4630 -5.6036 -5.6036 -5.6025 -5.6025 -5.5512 -5.5512 -4.9991 -4.9991 -3.4363 -3.4363 -3.3585 -3.3585 -3.3577 -3.3577 -3.2245 -3.2245 -3.2238 -3.2238 -3.1991 -3.1991 -2.6064 -2.6064 -2.4872 -2.4872 -2.4839 -2.4839 -2.2508 -2.2508 -2.2180 -2.2180 -2.2177 -2.2177 2.4356 2.4356 2.4363 2.4363 2.5894 2.5894 6.9694 6.9694 7.2665 7.2665 7.2698 7.2698 k = 0.0000 0.0000 0.0170 ( 4897 PWs) bands (ev): -62.9002 -62.9002 -38.8834 -38.8834 -36.4775 -36.4775 -36.4775 -36.4775 -22.6987 -22.6987 -22.6745 -22.6745 -22.6744 -22.6744 -21.6288 -21.6288 -21.4597 -21.4597 -21.4595 -21.4595 -6.4662 -6.4662 -6.4656 -6.4656 -5.6031 -5.6031 -5.6028 -5.6028 -5.5511 -5.5511 -5.0012 -5.0012 -3.4355 -3.4355 -3.3575 -3.3575 -3.3573 -3.3573 -3.2255 -3.2255 -3.2253 -3.2253 -3.2005 -3.2005 -2.6040 -2.6040 -2.4834 -2.4834 -2.4826 -2.4826 -2.2502 -2.2502 -2.2173 -2.2173 -2.2172 -2.2172 2.4363 2.4363 2.4364 2.4364 2.5899 2.5899 6.9630 6.9630 7.2659 7.2659 7.2667 7.2667 k = 0.0000 0.0000 0.0000 ( 4897 PWs) bands (ev): -62.9002 -62.9002 -38.8834 -38.8834 -36.4775 -36.4775 -36.4775 -36.4775 -22.6989 -22.6989 -22.6746 -22.6746 -22.6745 -22.6745 -21.6287 -21.6287 -21.4594 -21.4594 -21.4594 -21.4594 -6.4665 -6.4665 -6.4664 -6.4664 -5.6029 -5.6029 -5.6029 -5.6029 -5.5511 -5.5511 -5.0019 -5.0019 -3.4352 -3.4352 -3.3572 -3.3572 -3.3572 -3.3572 -3.2259 -3.2259 -3.2259 -3.2259 -3.2009 -3.2009 -2.6031 -2.6031 -2.4822 -2.4822 -2.4821 -2.4821 -2.2501 -2.2501 -2.2171 -2.2171 -2.2170 -2.2170 2.4365 2.4365 2.4365 2.4365 2.5900 2.5900 6.9608 6.9608 7.2656 7.2656 7.2656 7.2656 k = 0.0000 0.0000 0.0000 ( 4897 PWs) bands (ev): -62.9002 -62.9002 -38.8834 -38.8834 -36.4775 -36.4775 -36.4775 -36.4775 -22.6989 -22.6989 -22.6746 -22.6746 -22.6745 -22.6745 -21.6287 -21.6287 -21.4594 -21.4594 -21.4594 -21.4594 -6.4665 -6.4665 -6.4664 -6.4664 -5.6029 -5.6029 -5.6029 -5.6029 -5.5511 -5.5511 -5.0019 -5.0019 -3.4352 -3.4352 -3.3572 -3.3572 -3.3572 -3.3572 -3.2259 -3.2259 -3.2259 -3.2259 -3.2009 -3.2009 -2.6031 -2.6031 -2.4822 -2.4822 -2.4821 -2.4821 -2.2501 -2.2501 -2.2171 -2.2171 -2.2170 -2.2170 2.4365 2.4365 2.4365 2.4365 2.5900 2.5900 6.9608 6.9608 7.2656 7.2656 7.2656 7.2656 k = 0.0057 0.0080 0.0139 ( 4897 PWs) bands (ev): -62.9002 -62.9002 -38.8834 -38.8834 -36.4775 -36.4775 -36.4775 -36.4775 -22.6987 -22.6987 -22.6745 -22.6745 -22.6744 -22.6744 -21.6288 -21.6288 -21.4596 -21.4596 -21.4595 -21.4595 -6.4659 -6.4659 -6.4659 -6.4659 -5.6031 -5.6031 -5.6028 -5.6028 -5.5511 -5.5511 -5.0012 -5.0012 -3.4355 -3.4355 -3.3575 -3.3575 -3.3573 -3.3573 -3.2255 -3.2255 -3.2253 -3.2253 -3.2005 -3.2005 -2.6040 -2.6040 -2.4831 -2.4831 -2.4830 -2.4830 -2.2502 -2.2502 -2.2173 -2.2173 -2.2172 -2.2172 2.4363 2.4363 2.4365 2.4365 2.5899 2.5899 6.9630 6.9630 7.2663 7.2663 7.2663 7.2663 k = 0.0114 0.0161 0.0278 ( 4897 PWs) bands (ev): -62.9002 -62.9002 -38.8834 -38.8834 -36.4775 -36.4775 -36.4775 -36.4775 -22.6983 -22.6983 -22.6742 -22.6742 -22.6742 -22.6742 -21.6293 -21.6293 -21.4601 -21.4601 -21.4600 -21.4600 -6.4642 -6.4642 -6.4642 -6.4642 -5.6036 -5.6036 -5.6025 -5.6025 -5.5512 -5.5512 -4.9991 -4.9991 -3.4363 -3.4363 -3.3584 -3.3584 -3.3578 -3.3578 -3.2246 -3.2246 -3.2237 -3.2237 -3.1991 -3.1991 -2.6064 -2.6064 -2.4857 -2.4857 -2.4854 -2.4854 -2.2508 -2.2508 -2.2179 -2.2179 -2.2178 -2.2178 2.4355 2.4355 2.4363 2.4363 2.5894 2.5894 6.9694 6.9694 7.2681 7.2681 7.2682 7.2682 k = 0.0170 0.0241 0.0418 ( 4876 PWs) bands (ev): -62.9000 -62.9000 -38.8834 -38.8834 -36.4775 -36.4775 -36.4775 -36.4775 -22.6974 -22.6974 -22.6737 -22.6737 -22.6737 -22.6737 -21.6300 -21.6300 -21.4609 -21.4609 -21.4606 -21.4606 -6.4614 -6.4614 -6.4613 -6.4613 -5.6045 -5.6045 -5.6019 -5.6019 -5.5513 -5.5513 -4.9955 -4.9955 -3.4377 -3.4377 -3.3600 -3.3600 -3.3585 -3.3585 -3.2230 -3.2230 -3.2210 -3.2210 -3.1968 -3.1968 -2.6104 -2.6104 -2.4902 -2.4902 -2.4894 -2.4894 -2.2518 -2.2518 -2.2188 -2.2188 -2.2187 -2.2187 2.4344 2.4344 2.4360 2.4360 2.5887 2.5887 6.9802 6.9802 7.2713 7.2713 7.2713 7.2713 k = 0.0227 0.0321 0.0557 ( 4864 PWs) bands (ev): -62.8999 -62.8999 -38.8834 -38.8834 -36.4775 -36.4775 -36.4775 -36.4775 -22.6963 -22.6963 -22.6731 -22.6731 -22.6730 -22.6730 -21.6310 -21.6310 -21.4620 -21.4620 -21.4615 -21.4615 -6.4574 -6.4574 -6.4574 -6.4574 -5.6057 -5.6057 -5.6013 -5.6013 -5.5513 -5.5513 -4.9906 -4.9906 -3.4396 -3.4396 -3.3621 -3.3621 -3.3596 -3.3596 -3.2209 -3.2209 -3.2173 -3.2173 -3.1935 -3.1935 -2.6160 -2.6160 -2.4964 -2.4964 -2.4949 -2.4949 -2.2531 -2.2531 -2.2202 -2.2202 -2.2200 -2.2200 2.4327 2.4327 2.4356 2.4356 2.5877 2.5877 6.9952 6.9952 7.2757 7.2757 7.2758 7.2758 k = 0.0284 0.0402 0.0696 ( 4858 PWs) bands (ev): -62.8999 -62.8999 -38.8834 -38.8834 -36.4775 -36.4775 -36.4775 -36.4775 -22.6948 -22.6948 -22.6722 -22.6722 -22.6722 -22.6722 -21.6322 -21.6322 -21.4635 -21.4635 -21.4627 -21.4627 -6.4523 -6.4523 -6.4523 -6.4523 -5.6073 -5.6073 -5.6006 -5.6006 -5.5513 -5.5513 -4.9844 -4.9844 -3.4421 -3.4421 -3.3648 -3.3648 -3.3610 -3.3610 -3.2182 -3.2182 -3.2126 -3.2126 -3.1893 -3.1893 -2.6232 -2.6232 -2.5043 -2.5043 -2.5020 -2.5020 -2.2548 -2.2548 -2.2220 -2.2220 -2.2217 -2.2217 2.4306 2.4306 2.4350 2.4350 2.5864 2.5864 7.0145 7.0145 7.2813 7.2813 7.2814 7.2814 k = 0.0341 0.0482 0.0835 ( 4855 PWs) bands (ev): -62.8999 -62.8999 -38.8834 -38.8834 -36.4775 -36.4775 -36.4775 -36.4775 -22.6931 -22.6931 -22.6712 -22.6712 -22.6712 -22.6712 -21.6338 -21.6338 -21.4653 -21.4653 -21.4642 -21.4642 -6.4462 -6.4462 -6.4462 -6.4462 -5.6091 -5.6091 -5.6000 -5.6000 -5.5511 -5.5511 -4.9767 -4.9767 -3.4452 -3.4452 -3.3682 -3.3682 -3.3628 -3.3628 -3.2151 -3.2151 -3.2069 -3.2069 -3.1841 -3.1841 -2.6318 -2.6318 -2.5139 -2.5139 -2.5106 -2.5106 -2.2569 -2.2569 -2.2242 -2.2242 -2.2237 -2.2237 2.4281 2.4281 2.4343 2.4343 2.5848 2.5848 7.0379 7.0379 7.2880 7.2880 7.2883 7.2883 k = 0.0398 0.0562 0.0974 ( 4858 PWs) bands (ev): -62.8999 -62.8999 -38.8834 -38.8834 -36.4775 -36.4775 -36.4775 -36.4775 -22.6910 -22.6910 -22.6700 -22.6700 -22.6700 -22.6700 -21.6356 -21.6356 -21.4673 -21.4673 -21.4659 -21.4659 -6.4390 -6.4390 -6.4389 -6.4389 -5.6113 -5.6113 -5.5996 -5.5996 -5.5505 -5.5505 -4.9677 -4.9677 -3.4488 -3.4488 -3.3720 -3.3720 -3.3649 -3.3649 -3.2115 -3.2115 -3.2003 -3.2003 -3.1780 -3.1780 -2.6420 -2.6420 -2.5251 -2.5251 -2.5207 -2.5207 -2.2593 -2.2593 -2.2267 -2.2267 -2.2261 -2.2261 2.4251 2.4251 2.4334 2.4334 2.5829 2.5829 7.0655 7.0655 7.2960 7.2960 7.2963 7.2963 k = 0.0455 0.0643 0.1113 ( 4852 PWs) bands (ev): -62.8999 -62.8999 -38.8834 -38.8834 -36.4775 -36.4775 -36.4775 -36.4775 -22.6887 -22.6887 -22.6687 -22.6687 -22.6686 -22.6686 -21.6377 -21.6377 -21.4697 -21.4697 -21.4679 -21.4679 -6.4307 -6.4307 -6.4306 -6.4306 -5.6136 -5.6136 -5.5995 -5.5995 -5.5495 -5.5495 -4.9573 -4.9573 -3.4530 -3.4530 -3.3763 -3.3763 -3.3674 -3.3674 -3.2075 -3.2075 -3.1927 -3.1927 -3.1709 -3.1709 -2.6536 -2.6536 -2.5378 -2.5378 -2.5321 -2.5321 -2.2621 -2.2621 -2.2296 -2.2296 -2.2288 -2.2288 2.4217 2.4217 2.4323 2.4323 2.5809 2.5809 7.0972 7.0972 7.3050 7.3050 7.3055 7.3055 k = 0.0511 0.0723 0.1253 ( 4858 PWs) bands (ev): -62.8999 -62.8999 -38.8834 -38.8834 -36.4775 -36.4775 -36.4775 -36.4775 -22.6860 -22.6860 -22.6672 -22.6672 -22.6671 -22.6671 -21.6401 -21.6401 -21.4724 -21.4724 -21.4701 -21.4701 -6.4214 -6.4214 -6.4213 -6.4213 -5.6162 -5.6162 -5.5998 -5.5998 -5.5481 -5.5481 -4.9456 -4.9456 -3.4578 -3.4578 -3.3811 -3.3811 -3.3703 -3.3703 -3.2030 -3.2030 -3.1844 -3.1844 -3.1629 -3.1629 -2.6665 -2.6665 -2.5521 -2.5521 -2.5449 -2.5449 -2.2653 -2.2653 -2.2329 -2.2329 -2.2318 -2.2318 2.4180 2.4180 2.4310 2.4310 2.5786 2.5786 7.1330 7.1330 7.3152 7.3152 7.3157 7.3157 k = 0.0568 0.0804 0.1392 ( 4861 PWs) bands (ev): -62.8999 -62.8999 -38.8834 -38.8834 -36.4776 -36.4776 -36.4775 -36.4775 -22.6831 -22.6831 -22.6655 -22.6655 -22.6654 -22.6654 -21.6427 -21.6427 -21.4753 -21.4753 -21.4725 -21.4725 -6.4110 -6.4110 -6.4110 -6.4110 -5.6190 -5.6190 -5.6006 -5.6006 -5.5462 -5.5462 -4.9325 -4.9325 -3.4631 -3.4631 -3.3863 -3.3863 -3.3736 -3.3736 -3.1982 -3.1982 -3.1752 -3.1752 -3.1541 -3.1541 -2.6807 -2.6807 -2.5678 -2.5678 -2.5590 -2.5590 -2.2688 -2.2688 -2.2366 -2.2366 -2.2352 -2.2352 2.4139 2.4139 2.4295 2.4295 2.5762 2.5762 7.1727 7.1727 7.3264 7.3264 7.3270 7.3270 k = 0.0625 0.0884 0.1531 ( 4867 PWs) bands (ev): -62.9000 -62.9000 -38.8834 -38.8834 -36.4776 -36.4776 -36.4775 -36.4775 -22.6800 -22.6800 -22.6636 -22.6636 -22.6635 -22.6635 -21.6455 -21.6455 -21.4785 -21.4785 -21.4752 -21.4752 -6.3997 -6.3997 -6.3996 -6.3996 -5.6220 -5.6220 -5.6018 -5.6018 -5.5438 -5.5438 -4.9182 -4.9182 -3.4689 -3.4689 -3.3919 -3.3919 -3.3773 -3.3773 -3.1930 -3.1930 -3.1654 -3.1654 -3.1445 -3.1445 -2.6962 -2.6962 -2.5848 -2.5848 -2.5742 -2.5742 -2.2726 -2.2726 -2.2406 -2.2406 -2.2389 -2.2389 2.4095 2.4095 2.4278 2.4278 2.5735 2.5735 7.2163 7.2163 7.3386 7.3386 7.3394 7.3394 k = 0.0682 0.0964 0.1670 ( 4870 PWs) bands (ev): -62.9000 -62.9000 -38.8835 -38.8835 -36.4776 -36.4776 -36.4776 -36.4776 -22.6765 -22.6765 -22.6617 -22.6617 -22.6615 -22.6615 -21.6486 -21.6486 -21.4819 -21.4819 -21.4780 -21.4780 -6.3874 -6.3874 -6.3873 -6.3873 -5.6251 -5.6251 -5.6034 -5.6034 -5.5409 -5.5409 -4.9025 -4.9025 -3.4753 -3.4753 -3.3979 -3.3979 -3.3814 -3.3814 -3.1874 -3.1874 -3.1549 -3.1549 -3.1343 -3.1343 -2.7128 -2.7128 -2.6030 -2.6030 -2.5906 -2.5906 -2.2767 -2.2767 -2.2449 -2.2449 -2.2428 -2.2428 2.4048 2.4048 2.4258 2.4258 2.5707 2.5707 7.2638 7.2638 7.3518 7.3518 7.3526 7.3526 k = 0.0739 0.1045 0.1809 ( 4864 PWs) bands (ev): -62.9000 -62.9000 -38.8834 -38.8834 -36.4776 -36.4776 -36.4776 -36.4776 -22.6729 -22.6729 -22.6595 -22.6595 -22.6594 -22.6594 -21.6518 -21.6518 -21.4855 -21.4855 -21.4811 -21.4811 -6.3742 -6.3742 -6.3741 -6.3741 -5.6282 -5.6282 -5.6053 -5.6053 -5.5377 -5.5377 -4.8856 -4.8856 -3.4821 -3.4821 -3.4042 -3.4042 -3.3860 -3.3860 -3.1814 -3.1814 -3.1439 -3.1439 -3.1235 -3.1235 -2.7304 -2.7304 -2.6223 -2.6223 -2.6079 -2.6079 -2.2812 -2.2812 -2.2495 -2.2495 -2.2471 -2.2471 2.3998 2.3998 2.4235 2.4235 2.5678 2.5678 7.3150 7.3150 7.3659 7.3659 7.3668 7.3668 k = 0.0795 0.1125 0.1948 ( 4864 PWs) bands (ev): -62.9000 -62.9000 -38.8835 -38.8835 -36.4776 -36.4776 -36.4776 -36.4776 -22.6690 -22.6690 -22.6572 -22.6572 -22.6571 -22.6571 -21.6553 -21.6553 -21.4894 -21.4894 -21.4844 -21.4844 -6.3600 -6.3600 -6.3600 -6.3600 -5.6315 -5.6315 -5.6076 -5.6076 -5.5343 -5.5343 -4.8675 -4.8675 -3.4893 -3.4893 -3.4108 -3.4108 -3.3910 -3.3910 -3.1751 -3.1751 -3.1325 -3.1325 -3.1122 -3.1122 -2.7491 -2.7491 -2.6426 -2.6426 -2.6261 -2.6261 -2.2859 -2.2859 -2.2545 -2.2545 -2.2516 -2.2516 2.3947 2.3947 2.4210 2.4210 2.5647 2.5647 7.3698 7.3698 7.3808 7.3808 7.3818 7.3818 k = 0.0852 0.1205 0.2088 ( 4870 PWs) bands (ev): -62.9000 -62.9000 -38.8835 -38.8835 -36.4777 -36.4777 -36.4776 -36.4776 -22.6650 -22.6650 -22.6548 -22.6548 -22.6547 -22.6547 -21.6590 -21.6590 -21.4934 -21.4934 -21.4878 -21.4878 -6.3451 -6.3451 -6.3450 -6.3450 -5.6347 -5.6347 -5.6101 -5.6101 -5.5308 -5.5308 -4.8481 -4.8481 -3.4969 -3.4969 -3.4178 -3.4178 -3.3965 -3.3965 -3.1684 -3.1684 -3.1206 -3.1206 -3.1005 -3.1005 -2.7686 -2.7686 -2.6639 -2.6639 -2.6451 -2.6451 -2.2910 -2.2910 -2.2597 -2.2597 -2.2564 -2.2564 2.3893 2.3893 2.4182 2.4182 2.5615 2.5615 7.3965 7.3965 7.3976 7.3976 7.4282 7.4282 k = 0.0909 0.1286 0.2227 ( 4870 PWs) bands (ev): -62.9000 -62.9000 -38.8835 -38.8835 -36.4777 -36.4777 -36.4776 -36.4776 -22.6608 -22.6608 -22.6523 -22.6523 -22.6521 -22.6521 -21.6628 -21.6628 -21.4976 -21.4976 -21.4915 -21.4915 -6.3293 -6.3293 -6.3292 -6.3292 -5.6379 -5.6379 -5.6127 -5.6127 -5.5273 -5.5273 -4.8276 -4.8276 -3.5048 -3.5048 -3.4250 -3.4250 -3.4024 -3.4024 -3.1614 -3.1614 -3.1085 -3.1085 -3.0884 -3.0884 -2.7890 -2.7890 -2.6858 -2.6858 -2.6647 -2.6647 -2.2962 -2.2962 -2.2652 -2.2652 -2.2614 -2.2614 2.3838 2.3838 2.4151 2.4151 2.5582 2.5582 7.4128 7.4128 7.4141 7.4141 7.4900 7.4900 k = 0.0966 0.1366 0.2366 ( 4870 PWs) bands (ev): -62.9000 -62.9000 -38.8835 -38.8835 -36.4777 -36.4777 -36.4776 -36.4776 -22.6565 -22.6565 -22.6497 -22.6497 -22.6495 -22.6495 -21.6668 -21.6668 -21.5020 -21.5020 -21.4952 -21.4952 -6.3127 -6.3127 -6.3127 -6.3127 -5.6411 -5.6411 -5.6154 -5.6154 -5.5238 -5.5238 -4.8060 -4.8060 -3.5130 -3.5130 -3.4325 -3.4325 -3.4089 -3.4089 -3.1541 -3.1541 -3.0962 -3.0962 -3.0763 -3.0763 -2.8101 -2.8101 -2.7084 -2.7084 -2.6849 -2.6849 -2.3017 -2.3017 -2.2709 -2.2709 -2.2666 -2.2666 2.3782 2.3782 2.4118 2.4118 2.5548 2.5548 7.4298 7.4298 7.4312 7.4312 7.5552 7.5552 k = 0.1023 0.1446 0.2505 ( 4876 PWs) bands (ev): -62.9000 -62.9000 -38.8835 -38.8835 -36.4777 -36.4777 -36.4777 -36.4777 -22.6520 -22.6520 -22.6469 -22.6469 -22.6467 -22.6467 -21.6709 -21.6709 -21.5064 -21.5064 -21.4992 -21.4992 -6.2955 -6.2955 -6.2955 -6.2955 -5.6441 -5.6441 -5.6182 -5.6182 -5.5206 -5.5206 -4.7833 -4.7833 -3.5214 -3.5214 -3.4402 -3.4402 -3.4160 -3.4160 -3.1465 -3.1465 -3.0839 -3.0839 -3.0640 -3.0640 -2.8318 -2.8318 -2.7315 -2.7315 -2.7056 -2.7056 -2.3074 -2.3074 -2.2768 -2.2768 -2.2720 -2.2720 2.3726 2.3726 2.4083 2.4083 2.5514 2.5514 7.4474 7.4474 7.4489 7.4489 7.6236 7.6236 k = 0.1080 0.1527 0.2644 ( 4858 PWs) bands (ev): -62.8999 -62.8999 -38.8835 -38.8835 -36.4777 -36.4777 -36.4776 -36.4776 -22.6474 -22.6474 -22.6441 -22.6441 -22.6439 -22.6439 -21.6751 -21.6751 -21.5110 -21.5110 -21.5032 -21.5032 -6.2776 -6.2776 -6.2775 -6.2775 -5.6471 -5.6471 -5.6209 -5.6209 -5.5176 -5.5176 -4.7595 -4.7595 -3.5300 -3.5300 -3.4482 -3.4482 -3.4235 -3.4235 -3.1385 -3.1385 -3.0715 -3.0715 -3.0518 -3.0518 -2.8540 -2.8540 -2.7547 -2.7547 -2.7264 -2.7264 -2.3133 -2.3133 -2.2829 -2.2829 -2.2775 -2.2775 2.3669 2.3669 2.4046 2.4046 2.5478 2.5478 7.4655 7.4655 7.4670 7.4670 7.6951 7.6951 k = 0.1136 0.1607 0.2784 ( 4837 PWs) bands (ev): -62.8998 -62.8998 -38.8834 -38.8834 -36.4777 -36.4777 -36.4776 -36.4776 -22.6427 -22.6427 -22.6412 -22.6412 -22.6410 -22.6410 -21.6794 -21.6794 -21.5156 -21.5156 -21.5073 -21.5073 -6.2592 -6.2592 -6.2590 -6.2590 -5.6499 -5.6499 -5.6235 -5.6235 -5.5149 -5.5149 -4.7348 -4.7348 -3.5388 -3.5388 -3.4564 -3.4564 -3.4317 -3.4317 -3.1303 -3.1303 -3.0593 -3.0593 -3.0398 -3.0398 -2.8766 -2.8766 -2.7781 -2.7781 -2.7475 -2.7475 -2.3193 -2.3193 -2.2891 -2.2891 -2.2832 -2.2832 2.3613 2.3613 2.4007 2.4007 2.5441 2.5441 7.4840 7.4840 7.4856 7.4856 7.7696 7.7696 k = 0.1193 0.1687 0.2923 ( 4843 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4777 -36.4777 -36.4776 -36.4776 -22.6384 -22.6384 -22.6380 -22.6380 -22.6379 -22.6379 -21.6838 -21.6838 -21.5203 -21.5203 -21.5116 -21.5116 -6.2402 -6.2402 -6.2399 -6.2399 -5.6525 -5.6525 -5.6261 -5.6261 -5.5127 -5.5127 -4.7091 -4.7091 -3.5478 -3.5478 -3.4647 -3.4647 -3.4404 -3.4404 -3.1219 -3.1219 -3.0473 -3.0473 -3.0282 -3.0282 -2.8994 -2.8994 -2.8014 -2.8014 -2.7685 -2.7685 -2.3255 -2.3255 -2.2955 -2.2955 -2.2890 -2.2890 2.3557 2.3557 2.3967 2.3967 2.5403 2.5403 7.5028 7.5028 7.5044 7.5044 7.8471 7.8471 k = 0.1250 0.1768 0.3062 ( 4840 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4777 -36.4777 -36.4776 -36.4776 -22.6352 -22.6352 -22.6349 -22.6349 -22.6332 -22.6332 -21.6882 -21.6882 -21.5250 -21.5250 -21.5159 -21.5159 -6.2208 -6.2208 -6.2204 -6.2204 -5.6549 -5.6549 -5.6285 -5.6285 -5.5111 -5.5111 -4.6826 -4.6826 -3.5570 -3.5570 -3.4732 -3.4732 -3.4497 -3.4497 -3.1132 -3.1132 -3.0357 -3.0357 -3.0173 -3.0173 -2.9222 -2.9222 -2.8243 -2.8243 -2.7893 -2.7893 -2.3317 -2.3317 -2.3019 -2.3019 -2.2949 -2.2949 2.3502 2.3502 2.3925 2.3925 2.5364 2.5364 7.5218 7.5218 7.5235 7.5235 7.9273 7.9273 k = 0.1307 0.1848 0.3201 ( 4852 PWs) bands (ev): -62.8999 -62.8999 -38.8835 -38.8835 -36.4778 -36.4778 -36.4777 -36.4777 -22.6321 -22.6321 -22.6319 -22.6319 -22.6285 -22.6285 -21.6927 -21.6927 -21.5297 -21.5297 -21.5203 -21.5203 -6.2010 -6.2010 -6.2006 -6.2006 -5.6571 -5.6571 -5.6308 -5.6308 -5.5100 -5.5100 -4.6554 -4.6554 -3.5666 -3.5666 -3.4816 -3.4816 -3.4597 -3.4597 -3.1044 -3.1044 -3.0245 -3.0245 -3.0078 -3.0078 -2.9444 -2.9444 -2.8467 -2.8467 -2.8099 -2.8099 -2.3380 -2.3380 -2.3084 -2.3084 -2.3009 -2.3009 2.3449 2.3449 2.3883 2.3883 2.5325 2.5325 7.5411 7.5411 7.5428 7.5428 8.0103 8.0103 k = 0.1364 0.1928 0.3340 ( 4852 PWs) bands (ev): -62.8999 -62.8999 -38.8835 -38.8835 -36.4778 -36.4778 -36.4777 -36.4777 -22.6290 -22.6290 -22.6288 -22.6288 -22.6237 -22.6237 -21.6972 -21.6972 -21.5344 -21.5344 -21.5247 -21.5247 -6.1810 -6.1810 -6.1804 -6.1804 -5.6591 -5.6591 -5.6329 -5.6329 -5.5094 -5.5094 -4.6274 -4.6274 -3.5765 -3.5765 -3.4900 -3.4900 -3.4702 -3.4702 -3.0955 -3.0955 -3.0139 -3.0139 -3.0018 -3.0018 -2.9636 -2.9636 -2.8682 -2.8682 -2.8299 -2.8299 -2.3443 -2.3443 -2.3148 -2.3148 -2.3068 -2.3068 2.3397 2.3397 2.3840 2.3840 2.5284 2.5284 7.5604 7.5604 7.5621 7.5621 8.0957 8.0957 k = 0.1420 0.2009 0.3479 ( 4855 PWs) bands (ev): -62.8999 -62.8999 -38.8835 -38.8835 -36.4778 -36.4778 -36.4777 -36.4777 -22.6259 -22.6259 -22.6257 -22.6257 -22.6190 -22.6190 -21.7016 -21.7016 -21.5391 -21.5391 -21.5291 -21.5291 -6.1607 -6.1607 -6.1600 -6.1600 -5.6609 -5.6609 -5.6348 -5.6348 -5.5096 -5.5096 -4.5988 -4.5988 -3.5869 -3.5869 -3.4983 -3.4983 -3.4813 -3.4813 -3.0866 -3.0866 -3.0072 -3.0072 -3.0040 -3.0040 -2.9725 -2.9725 -2.8884 -2.8884 -2.8493 -2.8493 -2.3506 -2.3506 -2.3213 -2.3213 -2.3128 -2.3128 2.3348 2.3348 2.3796 2.3796 2.5243 2.5243 7.5797 7.5797 7.5815 7.5815 8.1837 8.1837 k = 0.1477 0.2089 0.3619 ( 4858 PWs) bands (ev): -62.8999 -62.8999 -38.8835 -38.8835 -36.4779 -36.4779 -36.4777 -36.4777 -22.6228 -22.6228 -22.6226 -22.6226 -22.6144 -22.6144 -21.7061 -21.7061 -21.5437 -21.5437 -21.5335 -21.5335 -6.1403 -6.1403 -6.1394 -6.1394 -5.6623 -5.6623 -5.6364 -5.6364 -5.5104 -5.5104 -4.5696 -4.5696 -3.5979 -3.5979 -3.5063 -3.5063 -3.4929 -3.4929 -3.0778 -3.0778 -3.0245 -3.0245 -2.9951 -2.9951 -2.9706 -2.9706 -2.9065 -2.9065 -2.8677 -2.8677 -2.3567 -2.3567 -2.3276 -2.3276 -2.3188 -2.3188 2.3301 2.3301 2.3753 2.3753 2.5200 2.5200 7.5989 7.5989 7.6007 7.6007 8.2739 8.2739 k = 0.1534 0.2170 0.3758 ( 4852 PWs) bands (ev): -62.8999 -62.8999 -38.8835 -38.8835 -36.4778 -36.4778 -36.4777 -36.4777 -22.6198 -22.6198 -22.6195 -22.6195 -22.6098 -22.6098 -21.7104 -21.7104 -21.5481 -21.5481 -21.5379 -21.5379 -6.1199 -6.1199 -6.1189 -6.1189 -5.6635 -5.6635 -5.6378 -5.6378 -5.5119 -5.5119 -4.5399 -4.5399 -3.6095 -3.6095 -3.5142 -3.5142 -3.5050 -3.5050 -3.0703 -3.0703 -3.0437 -3.0437 -2.9875 -2.9875 -2.9683 -2.9683 -2.9209 -2.9209 -2.8849 -2.8849 -2.3628 -2.3628 -2.3337 -2.3337 -2.3247 -2.3247 2.3257 2.3257 2.3711 2.3711 2.5158 2.5158 7.6179 7.6179 7.6197 7.6197 8.3663 8.3663 k = 0.1591 0.2250 0.3897 ( 4858 PWs) bands (ev): -62.8999 -62.8999 -38.8835 -38.8835 -36.4779 -36.4779 -36.4777 -36.4777 -22.6167 -22.6167 -22.6165 -22.6165 -22.6054 -22.6054 -21.7147 -21.7147 -21.5525 -21.5525 -21.5422 -21.5422 -6.0997 -6.0997 -6.0984 -6.0984 -5.6645 -5.6645 -5.6390 -5.6390 -5.5142 -5.5142 -4.5099 -4.5099 -3.6217 -3.6217 -3.5220 -3.5220 -3.5176 -3.5176 -3.0736 -3.0736 -3.0525 -3.0525 -2.9816 -2.9816 -2.9718 -2.9718 -2.9282 -2.9282 -2.9003 -2.9003 -2.3687 -2.3687 -2.3397 -2.3397 -2.3305 -2.3305 2.3217 2.3217 2.3668 2.3668 2.5114 2.5114 7.6366 7.6366 7.6384 7.6384 8.4609 8.4609 k = 0.1648 0.2330 0.4036 ( 4852 PWs) bands (ev): -62.8999 -62.8999 -38.8835 -38.8835 -36.4778 -36.4778 -36.4778 -36.4778 -22.6137 -22.6137 -22.6135 -22.6135 -22.6012 -22.6012 -21.7188 -21.7188 -21.5567 -21.5567 -21.5465 -21.5465 -6.0796 -6.0796 -6.0781 -6.0781 -5.6652 -5.6652 -5.6400 -5.6400 -5.5171 -5.5171 -4.4796 -4.4796 -3.6345 -3.6345 -3.5305 -3.5305 -3.5298 -3.5298 -3.0912 -3.0912 -3.0461 -3.0461 -2.9819 -2.9819 -2.9783 -2.9783 -2.9282 -2.9282 -2.9131 -2.9131 -2.3743 -2.3743 -2.3455 -2.3455 -2.3362 -2.3362 2.3180 2.3180 2.3627 2.3627 2.5071 2.5071 7.6550 7.6550 7.6567 7.6567 8.5574 8.5574 k = 0.1705 0.2411 0.4175 ( 4852 PWs) bands (ev): -62.8999 -62.8999 -38.8835 -38.8835 -36.4779 -36.4779 -36.4778 -36.4778 -22.6108 -22.6108 -22.6106 -22.6106 -22.5971 -22.5971 -21.7228 -21.7228 -21.5607 -21.5607 -21.5506 -21.5506 -6.0598 -6.0598 -6.0582 -6.0582 -5.6656 -5.6656 -5.6407 -5.6407 -5.5207 -5.5207 -4.4491 -4.4491 -3.6478 -3.6478 -3.5436 -3.5436 -3.5377 -3.5377 -3.1100 -3.1100 -3.0374 -3.0374 -2.9951 -2.9951 -2.9788 -2.9788 -2.9247 -2.9247 -2.9221 -2.9221 -2.3798 -2.3798 -2.3509 -2.3509 -2.3418 -2.3418 2.3146 2.3146 2.3587 2.3587 2.5027 2.5027 7.6728 7.6728 7.6745 7.6745 8.6558 8.6558 k = 0.1761 0.2491 0.4314 ( 4852 PWs) bands (ev): -62.8999 -62.8999 -38.8835 -38.8835 -36.4779 -36.4779 -36.4778 -36.4778 -22.6080 -22.6080 -22.6078 -22.6078 -22.5932 -22.5932 -21.7267 -21.7267 -21.5645 -21.5645 -21.5547 -21.5547 -6.0405 -6.0405 -6.0386 -6.0386 -5.6657 -5.6657 -5.6411 -5.6411 -5.5250 -5.5250 -4.4187 -4.4187 -3.6616 -3.6616 -3.5569 -3.5569 -3.5461 -3.5461 -3.1275 -3.1275 -3.0284 -3.0284 -3.0089 -3.0089 -2.9838 -2.9838 -2.9266 -2.9266 -2.9202 -2.9202 -2.3849 -2.3849 -2.3561 -2.3561 -2.3472 -2.3472 2.3116 2.3116 2.3547 2.3547 2.4984 2.4984 7.6902 7.6902 7.6918 7.6918 8.7559 8.7559 k = 0.1818 0.2571 0.4454 ( 4859 PWs) bands (ev): -62.8999 -62.8999 -38.8836 -38.8836 -36.4779 -36.4779 -36.4778 -36.4778 -22.6053 -22.6053 -22.6051 -22.6051 -22.5895 -22.5895 -21.7304 -21.7304 -21.5681 -21.5681 -21.5586 -21.5586 -6.0217 -6.0217 -6.0197 -6.0197 -5.6655 -5.6655 -5.6414 -5.6414 -5.5299 -5.5299 -4.3883 -4.3883 -3.6757 -3.6757 -3.5702 -3.5702 -3.5550 -3.5550 -3.1431 -3.1431 -3.0230 -3.0230 -3.0187 -3.0187 -2.9923 -2.9923 -2.9275 -2.9275 -2.9157 -2.9157 -2.3897 -2.3897 -2.3610 -2.3610 -2.3523 -2.3523 2.3091 2.3091 2.3509 2.3509 2.4941 2.4941 7.7068 7.7068 7.7084 7.7084 8.8576 8.8576 k = 0.1875 0.2652 0.4593 ( 4865 PWs) bands (ev): -62.9000 -62.9000 -38.8836 -38.8836 -36.4779 -36.4779 -36.4778 -36.4778 -22.6027 -22.6027 -22.6026 -22.6026 -22.5860 -22.5860 -21.7338 -21.7338 -21.5715 -21.5715 -21.5623 -21.5623 -6.0036 -6.0036 -6.0015 -6.0015 -5.6651 -5.6651 -5.6414 -5.6414 -5.5353 -5.5353 -4.3582 -4.3582 -3.6900 -3.6900 -3.5833 -3.5833 -3.5648 -3.5648 -3.1563 -3.1563 -3.0355 -3.0355 -3.0100 -3.0100 -3.0027 -3.0027 -2.9267 -2.9267 -2.9118 -2.9118 -2.3942 -2.3942 -2.3654 -2.3654 -2.3572 -2.3572 2.3070 2.3070 2.3472 2.3472 2.4899 2.4899 7.7227 7.7227 7.7242 7.7242 8.9608 8.9608 k = 0.1932 0.2732 0.4732 ( 4847 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4779 -36.4779 -36.4778 -36.4778 -22.6003 -22.6003 -22.6001 -22.6001 -22.5828 -22.5828 -21.7371 -21.7371 -21.5745 -21.5745 -21.5659 -21.5659 -5.9863 -5.9863 -5.9841 -5.9841 -5.6645 -5.6645 -5.6412 -5.6412 -5.5412 -5.5412 -4.3286 -4.3286 -3.7042 -3.7042 -3.5961 -3.5961 -3.5754 -3.5754 -3.1669 -3.1669 -3.0475 -3.0475 -3.0136 -3.0136 -3.0011 -3.0011 -2.9252 -2.9252 -2.9084 -2.9084 -2.3983 -2.3983 -2.3695 -2.3695 -2.3619 -2.3619 2.3053 2.3053 2.3436 2.3436 2.4859 2.4859 7.7378 7.7378 7.7391 7.7391 9.0654 9.0654 k = 0.1989 0.2812 0.4871 ( 4847 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4779 -36.4779 -36.4778 -36.4778 -22.5980 -22.5980 -22.5979 -22.5979 -22.5799 -22.5799 -21.7401 -21.7401 -21.5773 -21.5773 -21.5693 -21.5693 -5.9701 -5.9701 -5.9677 -5.9677 -5.6636 -5.6636 -5.6407 -5.6407 -5.5475 -5.5475 -4.2997 -4.2997 -3.7183 -3.7183 -3.6083 -3.6083 -3.5869 -3.5869 -3.1748 -3.1748 -3.0586 -3.0586 -3.0244 -3.0244 -2.9924 -2.9924 -2.9239 -2.9239 -2.9057 -2.9057 -2.4020 -2.4020 -2.3731 -2.3731 -2.3662 -2.3662 2.3041 2.3041 2.3401 2.3401 2.4821 2.4821 7.7518 7.7518 7.7531 7.7531 9.1711 9.1711 k = 0.2045 0.2893 0.5010 ( 4853 PWs) bands (ev): -62.8999 -62.8999 -38.8836 -38.8836 -36.4779 -36.4779 -36.4778 -36.4778 -22.5959 -22.5959 -22.5958 -22.5958 -22.5772 -22.5772 -21.7428 -21.7428 -21.5798 -21.5798 -21.5724 -21.5724 -5.9549 -5.9549 -5.9525 -5.9525 -5.6625 -5.6625 -5.6402 -5.6402 -5.5541 -5.5541 -4.2717 -4.2717 -3.7320 -3.7320 -3.6199 -3.6199 -3.5992 -3.5992 -3.1799 -3.1799 -3.0689 -3.0689 -3.0350 -3.0350 -2.9839 -2.9839 -2.9229 -2.9229 -2.9038 -2.9038 -2.4054 -2.4054 -2.3764 -2.3764 -2.3702 -2.3702 2.3033 2.3033 2.3367 2.3367 2.4785 2.4785 7.7648 7.7648 7.7659 7.7659 9.2779 9.2779 k = 0.2102 0.2973 0.5149 ( 4853 PWs) bands (ev): -62.8999 -62.8999 -38.8836 -38.8836 -36.4779 -36.4779 -36.4778 -36.4778 -22.5940 -22.5940 -22.5939 -22.5939 -22.5749 -22.5749 -21.7452 -21.7452 -21.5819 -21.5819 -21.5753 -21.5753 -5.9410 -5.9410 -5.9387 -5.9387 -5.6611 -5.6611 -5.6395 -5.6395 -5.5609 -5.5609 -4.2450 -4.2450 -3.7452 -3.7452 -3.6307 -3.6307 -3.6119 -3.6119 -3.1823 -3.1823 -3.0783 -3.0783 -3.0451 -3.0451 -2.9757 -2.9757 -2.9224 -2.9224 -2.9025 -2.9025 -2.4083 -2.4083 -2.3792 -2.3792 -2.3738 -2.3738 2.3029 2.3029 2.3334 2.3334 2.4752 2.4752 7.7767 7.7767 7.7776 7.7776 9.3855 9.3855 k = 0.2159 0.3053 0.5289 ( 4847 PWs) bands (ev): -62.8998 -62.8998 -38.8836 -38.8836 -36.4779 -36.4779 -36.4778 -36.4778 -22.5923 -22.5923 -22.5923 -22.5923 -22.5728 -22.5728 -21.7474 -21.7474 -21.5838 -21.5838 -21.5779 -21.5779 -5.9285 -5.9285 -5.9263 -5.9263 -5.6594 -5.6594 -5.6387 -5.6387 -5.5677 -5.5677 -4.2200 -4.2200 -3.7576 -3.7576 -3.6404 -3.6404 -3.6246 -3.6246 -3.1823 -3.1823 -3.0867 -3.0867 -3.0547 -3.0547 -2.9679 -2.9679 -2.9225 -2.9225 -2.9019 -2.9019 -2.4108 -2.4108 -2.3815 -2.3815 -2.3770 -2.3770 2.3030 2.3030 2.3302 2.3302 2.4722 2.4722 7.7872 7.7872 7.7881 7.7881 9.4936 9.4936 k = 0.2216 0.3134 0.5428 ( 4847 PWs) bands (ev): -62.8998 -62.8998 -38.8836 -38.8836 -36.4779 -36.4779 -36.4778 -36.4778 -22.5909 -22.5909 -22.5908 -22.5908 -22.5711 -22.5711 -21.7492 -21.7492 -21.5852 -21.5852 -21.5802 -21.5802 -5.9175 -5.9175 -5.9155 -5.9155 -5.6575 -5.6575 -5.6380 -5.6380 -5.5743 -5.5743 -4.1970 -4.1970 -3.7692 -3.7692 -3.6489 -3.6489 -3.6368 -3.6368 -3.1804 -3.1804 -3.0941 -3.0941 -3.0637 -3.0637 -2.9604 -2.9604 -2.9231 -2.9231 -2.9018 -2.9018 -2.4129 -2.4129 -2.3835 -2.3835 -2.3798 -2.3798 2.3036 2.3036 2.3270 2.3270 2.4696 2.4696 7.7964 7.7964 7.7971 7.7971 9.6018 9.6018 k = 0.2273 0.3214 0.5567 ( 4862 PWs) bands (ev): -62.8999 -62.8999 -38.8836 -38.8836 -36.4779 -36.4779 -36.4779 -36.4779 -22.5897 -22.5897 -22.5896 -22.5896 -22.5697 -22.5697 -21.7508 -21.7508 -21.5863 -21.5863 -21.5823 -21.5823 -5.9082 -5.9082 -5.9066 -5.9066 -5.6553 -5.6553 -5.6376 -5.6376 -5.5804 -5.5804 -4.1768 -4.1768 -3.7795 -3.7795 -3.6562 -3.6562 -3.6478 -3.6478 -3.1770 -3.1770 -3.1001 -3.1001 -3.0722 -3.0722 -2.9535 -2.9535 -2.9243 -2.9243 -2.9022 -2.9022 -2.4147 -2.4147 -2.3850 -2.3850 -2.3821 -2.3821 2.3045 2.3045 2.3239 2.3239 2.4674 2.4674 7.8042 7.8042 7.8047 7.8047 9.7090 9.7090 k = 0.2330 0.3294 0.5706 ( 4856 PWs) bands (ev): -62.8999 -62.8999 -38.8836 -38.8836 -36.4779 -36.4779 -36.4779 -36.4779 -22.5887 -22.5887 -22.5887 -22.5887 -22.5686 -22.5686 -21.7519 -21.7519 -21.5871 -21.5871 -21.5840 -21.5840 -5.9008 -5.9008 -5.8995 -5.8995 -5.6528 -5.6528 -5.6376 -5.6376 -5.5858 -5.5858 -4.1600 -4.1600 -3.7883 -3.7883 -3.6620 -3.6620 -3.6571 -3.6571 -3.1729 -3.1729 -3.1044 -3.1044 -3.0801 -3.0801 -2.9471 -2.9471 -2.9259 -2.9259 -2.9029 -2.9029 -2.4160 -2.4160 -2.3861 -2.3861 -2.3840 -2.3840 2.3059 2.3059 2.3209 2.3209 2.4657 2.4657 7.8103 7.8103 7.8108 7.8108 9.8134 9.8134 k = 0.2386 0.3375 0.5845 ( 4868 PWs) bands (ev): -62.9000 -62.9000 -38.8836 -38.8836 -36.4780 -36.4780 -36.4779 -36.4779 -22.5880 -22.5880 -22.5880 -22.5880 -22.5678 -22.5678 -21.7528 -21.7528 -21.5875 -21.5875 -21.5854 -21.5854 -5.8953 -5.8953 -5.8944 -5.8944 -5.6500 -5.6500 -5.6384 -5.6384 -5.5900 -5.5900 -4.1473 -4.1473 -3.7950 -3.7950 -3.6662 -3.6662 -3.6642 -3.6642 -3.1689 -3.1689 -3.1063 -3.1063 -3.0876 -3.0876 -2.9415 -2.9415 -2.9280 -2.9280 -2.9037 -2.9037 -2.4170 -2.4170 -2.3867 -2.3867 -2.3855 -2.3855 2.3077 2.3077 2.3180 2.3180 2.4645 2.4645 7.8149 7.8149 7.8151 7.8151 9.9093 9.9093 k = 0.2443 0.3455 0.5985 ( 4874 PWs) bands (ev): -62.9000 -62.9000 -38.8836 -38.8836 -36.4780 -36.4780 -36.4779 -36.4779 -22.5876 -22.5876 -22.5876 -22.5876 -22.5674 -22.5674 -21.7533 -21.7533 -21.5875 -21.5875 -21.5864 -21.5864 -5.8919 -5.8919 -5.8914 -5.8914 -5.6468 -5.6468 -5.6402 -5.6402 -5.5926 -5.5926 -4.1394 -4.1394 -3.7993 -3.7993 -3.6689 -3.6689 -3.6685 -3.6685 -3.1661 -3.1661 -3.1053 -3.1053 -3.0945 -3.0945 -2.9368 -2.9368 -2.9305 -2.9305 -2.9045 -2.9045 -2.4175 -2.4175 -2.3870 -2.3870 -2.3864 -2.3864 2.3098 2.3098 2.3151 2.3151 2.4637 2.4637 7.8176 7.8176 7.8178 7.8178 9.9802 9.9802 k = 0.2500 0.3536 0.6124 ( 4904 PWs) bands (ev): -62.9002 -62.9002 -38.8837 -38.8837 -36.4780 -36.4780 -36.4780 -36.4780 -22.5875 -22.5875 -22.5875 -22.5875 -22.5672 -22.5672 -21.7535 -21.7535 -21.5872 -21.5872 -21.5871 -21.5871 -5.8906 -5.8906 -5.8906 -5.8906 -5.6434 -5.6434 -5.6434 -5.6434 -5.5934 -5.5934 -4.1367 -4.1367 -3.8008 -3.8008 -3.6699 -3.6699 -3.6699 -3.6699 -3.1652 -3.1652 -3.1009 -3.1009 -3.1009 -3.1009 -2.9333 -2.9333 -2.9332 -2.9332 -2.9048 -2.9048 -2.4177 -2.4177 -2.3870 -2.3870 -2.3869 -2.3869 2.3123 2.3123 2.3123 2.3123 2.4634 2.4634 7.8186 7.8186 7.8186 7.8186 10.0028 10.0028 k = 0.2500 0.3536 0.6124 ( 4904 PWs) bands (ev): -62.9002 -62.9002 -38.8837 -38.8837 -36.4780 -36.4780 -36.4780 -36.4780 -22.5875 -22.5875 -22.5875 -22.5875 -22.5672 -22.5672 -21.7535 -21.7535 -21.5872 -21.5872 -21.5871 -21.5871 -5.8906 -5.8906 -5.8906 -5.8906 -5.6434 -5.6434 -5.6434 -5.6434 -5.5934 -5.5934 -4.1367 -4.1367 -3.8008 -3.8008 -3.6699 -3.6699 -3.6699 -3.6699 -3.1652 -3.1652 -3.1009 -3.1009 -3.1009 -3.1009 -2.9333 -2.9333 -2.9332 -2.9332 -2.9048 -2.9048 -2.4177 -2.4177 -2.3870 -2.3870 -2.3869 -2.3869 2.3123 2.3123 2.3123 2.3123 2.4634 2.4634 7.8186 7.8186 7.8186 7.8186 10.0028 10.0028 k = 0.2557 0.3375 0.6124 ( 4880 PWs) bands (ev): -62.9001 -62.9001 -38.8837 -38.8837 -36.4780 -36.4780 -36.4779 -36.4779 -22.5876 -22.5876 -22.5876 -22.5876 -22.5674 -22.5674 -21.7533 -21.7533 -21.5875 -21.5875 -21.5864 -21.5864 -5.8919 -5.8919 -5.8915 -5.8915 -5.6475 -5.6475 -5.6395 -5.6395 -5.5927 -5.5927 -4.1393 -4.1393 -3.7993 -3.7993 -3.6693 -3.6693 -3.6682 -3.6682 -3.1660 -3.1660 -3.1067 -3.1067 -3.0933 -3.0933 -2.9362 -2.9362 -2.9311 -2.9311 -2.9044 -2.9044 -2.4175 -2.4175 -2.3870 -2.3870 -2.3865 -2.3865 2.3097 2.3097 2.3152 2.3152 2.4637 2.4637 7.8176 7.8176 7.8178 7.8178 9.9907 9.9907 k = 0.2614 0.3214 0.6124 ( 4859 PWs) bands (ev): -62.8999 -62.8999 -38.8836 -38.8836 -36.4779 -36.4779 -36.4779 -36.4779 -22.5880 -22.5880 -22.5880 -22.5880 -22.5678 -22.5678 -21.7528 -21.7528 -21.5875 -21.5875 -21.5854 -21.5854 -5.8954 -5.8954 -5.8944 -5.8944 -5.6523 -5.6523 -5.6354 -5.6354 -5.5906 -5.5906 -4.1471 -4.1471 -3.7951 -3.7951 -3.6670 -3.6670 -3.6634 -3.6634 -3.1680 -3.1680 -3.1119 -3.1119 -3.0833 -3.0833 -2.9393 -2.9393 -2.9305 -2.9305 -2.9031 -2.9031 -2.4170 -2.4170 -2.3866 -2.3866 -2.3857 -2.3857 2.3073 2.3073 2.3183 2.3183 2.4644 2.4644 7.8147 7.8147 7.8150 7.8150 9.9675 9.9675 k = 0.2670 0.3053 0.6124 ( 4847 PWs) bands (ev): -62.8998 -62.8998 -38.8836 -38.8836 -36.4779 -36.4779 -36.4779 -36.4779 -22.5888 -22.5888 -22.5887 -22.5887 -22.5685 -22.5685 -21.7519 -21.7519 -21.5871 -21.5871 -21.5839 -21.5839 -5.9009 -5.9009 -5.8996 -5.8996 -5.6575 -5.6575 -5.6309 -5.6309 -5.5875 -5.5875 -4.1594 -4.1594 -3.7885 -3.7885 -3.6632 -3.6632 -3.6558 -3.6558 -3.1706 -3.1706 -3.1166 -3.1166 -3.0718 -3.0718 -2.9425 -2.9425 -2.9311 -2.9311 -2.9011 -2.9011 -2.4160 -2.4160 -2.3857 -2.3857 -2.3845 -2.3845 2.3051 2.3051 2.3218 2.3218 2.4656 2.4656 7.8098 7.8098 7.8102 7.8102 9.9422 9.9422 k = 0.2727 0.2893 0.6124 ( 4850 PWs) bands (ev): -62.8999 -62.8999 -38.8836 -38.8836 -36.4779 -36.4779 -36.4779 -36.4779 -22.5898 -22.5898 -22.5897 -22.5897 -22.5695 -22.5695 -21.7508 -21.7508 -21.5864 -21.5864 -21.5822 -21.5822 -5.9085 -5.9085 -5.9068 -5.9068 -5.6627 -5.6627 -5.6263 -5.6263 -5.5838 -5.5838 -4.1755 -4.1755 -3.7801 -3.7801 -3.6580 -3.6580 -3.6458 -3.6458 -3.1733 -3.1733 -3.1205 -3.1205 -3.0591 -3.0591 -2.9457 -2.9457 -2.9325 -2.9325 -2.8988 -2.8988 -2.4148 -2.4148 -2.3845 -2.3845 -2.3830 -2.3830 2.3031 2.3031 2.3255 2.3255 2.4673 2.4673 7.8030 7.8030 7.8035 7.8035 9.9179 9.9179 k = 0.2784 0.2732 0.6124 ( 4856 PWs) bands (ev): -62.8999 -62.8999 -38.8836 -38.8836 -36.4779 -36.4779 -36.4779 -36.4779 -22.5911 -22.5911 -22.5910 -22.5910 -22.5707 -22.5707 -21.7492 -21.7492 -21.5854 -21.5854 -21.5801 -21.5801 -5.9180 -5.9180 -5.9159 -5.9159 -5.6677 -5.6677 -5.6214 -5.6214 -5.5796 -5.5796 -4.1946 -4.1946 -3.7702 -3.7702 -3.6515 -3.6515 -3.6338 -3.6338 -3.1759 -3.1759 -3.1237 -3.1237 -3.0457 -3.0457 -2.9489 -2.9489 -2.9344 -2.9344 -2.8965 -2.8965 -2.4131 -2.4131 -2.3828 -2.3828 -2.3813 -2.3813 2.3015 2.3015 2.3294 2.3294 2.4694 2.4694 7.7941 7.7941 7.7947 7.7947 9.8957 9.8957 k = 0.2841 0.2571 0.6124 ( 4856 PWs) bands (ev): -62.8999 -62.8999 -38.8836 -38.8836 -36.4779 -36.4779 -36.4779 -36.4779 -22.5926 -22.5926 -22.5926 -22.5926 -22.5721 -22.5721 -21.7474 -21.7474 -21.5839 -21.5839 -21.5778 -21.5778 -5.9294 -5.9294 -5.9270 -5.9270 -5.6724 -5.6724 -5.6164 -5.6164 -5.5750 -5.5750 -4.2161 -4.2161 -3.7593 -3.7593 -3.6440 -3.6440 -3.6202 -3.6202 -3.1781 -3.1781 -3.1260 -3.1260 -3.0319 -3.0319 -2.9519 -2.9519 -2.9365 -2.9365 -2.8942 -2.8942 -2.4111 -2.4111 -2.3808 -2.3808 -2.3792 -2.3792 2.3001 2.3001 2.3335 2.3335 2.4718 2.4718 7.7833 7.7833 7.7840 7.7840 9.8762 9.8762 k = 0.2898 0.2411 0.6124 ( 4850 PWs) bands (ev): -62.8999 -62.8999 -38.8836 -38.8836 -36.4779 -36.4779 -36.4778 -36.4778 -22.5945 -22.5945 -22.5944 -22.5944 -22.5738 -22.5738 -21.7453 -21.7453 -21.5822 -21.5822 -21.5751 -21.5751 -5.9424 -5.9424 -5.9398 -5.9398 -5.6766 -5.6766 -5.6113 -5.6113 -5.5702 -5.5702 -4.2393 -4.2393 -3.7476 -3.7476 -3.6357 -3.6357 -3.6057 -3.6057 -3.1797 -3.1797 -3.1272 -3.1272 -3.0178 -3.0178 -2.9548 -2.9548 -2.9387 -2.9387 -2.8922 -2.8922 -2.4088 -2.4088 -2.3784 -2.3784 -2.3768 -2.3768 2.2992 2.2992 2.3377 2.3377 2.4746 2.4746 7.7705 7.7705 7.7713 7.7713 9.8596 9.8596 k = 0.2955 0.2250 0.6124 ( 4850 PWs) bands (ev): -62.8999 -62.8999 -38.8836 -38.8836 -36.4779 -36.4779 -36.4778 -36.4778 -22.5966 -22.5966 -22.5965 -22.5965 -22.5756 -22.5756 -21.7429 -21.7429 -21.5801 -21.5801 -21.5722 -21.5722 -5.9570 -5.9570 -5.9542 -5.9542 -5.6803 -5.6803 -5.6062 -5.6062 -5.5653 -5.5653 -4.2638 -4.2638 -3.7355 -3.7355 -3.6268 -3.6268 -3.5907 -3.5907 -3.1804 -3.1804 -3.1273 -3.1273 -3.0036 -3.0036 -2.9574 -2.9574 -2.9407 -2.9407 -2.8904 -2.8904 -2.4062 -2.4062 -2.3756 -2.3756 -2.3741 -2.3741 2.2987 2.2987 2.3421 2.3421 2.4777 2.4777 7.7559 7.7559 7.7567 7.7567 9.8461 9.8461 k = 0.3011 0.2089 0.6124 ( 4847 PWs) bands (ev): -62.8999 -62.8999 -38.8835 -38.8835 -36.4779 -36.4779 -36.4778 -36.4778 -22.5989 -22.5989 -22.5988 -22.5988 -22.5777 -22.5777 -21.7402 -21.7402 -21.5777 -21.5777 -21.5691 -21.5691 -5.9730 -5.9730 -5.9701 -5.9701 -5.6834 -5.6834 -5.6010 -5.6010 -5.5603 -5.5603 -4.2892 -4.2892 -3.7231 -3.7231 -3.6176 -3.6176 -3.5757 -3.5757 -3.1801 -3.1801 -3.1261 -3.1261 -2.9894 -2.9894 -2.9598 -2.9598 -2.9424 -2.9424 -2.8890 -2.8890 -2.4033 -2.4033 -2.3726 -2.3726 -2.3712 -2.3712 2.2986 2.2986 2.3466 2.3466 2.4810 2.4810 7.7394 7.7394 7.7402 7.7402 9.8359 9.8359 k = 0.3068 0.1928 0.6124 ( 4853 PWs) bands (ev): -62.8999 -62.8999 -38.8836 -38.8836 -36.4779 -36.4779 -36.4778 -36.4778 -22.6015 -22.6015 -22.6013 -22.6013 -22.5798 -22.5798 -21.7372 -21.7372 -21.5750 -21.5750 -21.5657 -21.5657 -5.9904 -5.9904 -5.9873 -5.9873 -5.6858 -5.6858 -5.5959 -5.5959 -5.5553 -5.5553 -4.3152 -4.3152 -3.7108 -3.7108 -3.6086 -3.6086 -3.5611 -3.5611 -3.1786 -3.1786 -3.1233 -3.1233 -2.9755 -2.9755 -2.9619 -2.9619 -2.9435 -2.9435 -2.8878 -2.8878 -2.4001 -2.4001 -2.3692 -2.3692 -2.3680 -2.3680 2.2990 2.2990 2.3512 2.3512 2.4846 2.4846 7.7211 7.7211 7.7220 7.7220 9.8289 9.8289 k = 0.3125 0.1768 0.6124 ( 4847 PWs) bands (ev): -62.8999 -62.8999 -38.8835 -38.8835 -36.4779 -36.4779 -36.4778 -36.4778 -22.6043 -22.6043 -22.6041 -22.6041 -22.5821 -22.5821 -21.7340 -21.7340 -21.5720 -21.5720 -21.5622 -21.5622 -6.0089 -6.0089 -6.0057 -6.0057 -5.6875 -5.6875 -5.5908 -5.5908 -5.5503 -5.5503 -4.3415 -4.3415 -3.6988 -3.6988 -3.5999 -3.5999 -3.5472 -3.5472 -3.1758 -3.1758 -3.1189 -3.1189 -2.9636 -2.9636 -2.9628 -2.9628 -2.9431 -2.9431 -2.8869 -2.8869 -2.3967 -2.3967 -2.3656 -2.3656 -2.3646 -2.3646 2.3000 2.3000 2.3558 2.3558 2.4884 2.4884 7.7012 7.7012 7.7021 7.7021 9.8253 9.8253 k = 0.3182 0.1607 0.6124 ( 4859 PWs) bands (ev): -62.8999 -62.8999 -38.8836 -38.8836 -36.4779 -36.4779 -36.4778 -36.4778 -22.6073 -22.6073 -22.6071 -22.6071 -22.5846 -22.5846 -21.7306 -21.7306 -21.5688 -21.5688 -21.5584 -21.5584 -6.0283 -6.0283 -6.0252 -6.0252 -5.6884 -5.6884 -5.5858 -5.5858 -5.5454 -5.5454 -4.3680 -4.3680 -3.6875 -3.6875 -3.5919 -3.5919 -3.5344 -3.5344 -3.1713 -3.1713 -3.1126 -3.1126 -2.9649 -2.9649 -2.9546 -2.9546 -2.9378 -2.9378 -2.8864 -2.8864 -2.3930 -2.3930 -2.3617 -2.3617 -2.3610 -2.3610 2.3014 2.3014 2.3604 2.3604 2.4923 2.4923 7.6797 7.6797 7.6806 7.6806 9.8250 9.8250 k = 0.3239 0.1446 0.6124 ( 4865 PWs) bands (ev): -62.9000 -62.9000 -38.8836 -38.8836 -36.4779 -36.4779 -36.4778 -36.4778 -22.6105 -22.6105 -22.6103 -22.6103 -22.5871 -22.5871 -21.7270 -21.7270 -21.5653 -21.5653 -21.5546 -21.5546 -6.0487 -6.0487 -6.0455 -6.0455 -5.6885 -5.6885 -5.5808 -5.5808 -5.5406 -5.5406 -4.3945 -4.3945 -3.6770 -3.6770 -3.5848 -3.5848 -3.5229 -3.5229 -3.1651 -3.1651 -3.1044 -3.1044 -2.9657 -2.9657 -2.9524 -2.9524 -2.9261 -2.9261 -2.8860 -2.8860 -2.3891 -2.3891 -2.3577 -2.3577 -2.3572 -2.3572 2.3034 2.3034 2.3650 2.3650 2.4964 2.4964 7.6568 7.6568 7.6577 7.6577 9.8281 9.8281 k = 0.3295 0.1286 0.6124 ( 4868 PWs) bands (ev): -62.9000 -62.9000 -38.8836 -38.8836 -36.4779 -36.4779 -36.4778 -36.4778 -22.6139 -22.6139 -22.6136 -22.6136 -22.5897 -22.5897 -21.7233 -21.7233 -21.5616 -21.5616 -21.5506 -21.5506 -6.0698 -6.0698 -6.0666 -6.0666 -5.6878 -5.6878 -5.5760 -5.5760 -5.5359 -5.5359 -4.4209 -4.4209 -3.6677 -3.6677 -3.5790 -3.5790 -3.5128 -3.5128 -3.1570 -3.1570 -3.0942 -3.0942 -2.9660 -2.9660 -2.9520 -2.9520 -2.9123 -2.9123 -2.8857 -2.8857 -2.3851 -2.3851 -2.3534 -2.3534 -2.3532 -2.3532 2.3059 2.3059 2.3696 2.3696 2.5006 2.5006 7.6326 7.6326 7.6335 7.6335 9.8344 9.8344 k = 0.3352 0.1125 0.6124 ( 4856 PWs) bands (ev): -62.8999 -62.8999 -38.8836 -38.8836 -36.4779 -36.4779 -36.4778 -36.4778 -22.6174 -22.6174 -22.6171 -22.6171 -22.5923 -22.5923 -21.7193 -21.7193 -21.5576 -21.5576 -21.5464 -21.5464 -6.0914 -6.0914 -6.0883 -6.0883 -5.6863 -5.6863 -5.5714 -5.5714 -5.5313 -5.5313 -4.4469 -4.4469 -3.6597 -3.6597 -3.5745 -3.5745 -3.5044 -3.5044 -3.1469 -3.1469 -3.0820 -3.0820 -2.9656 -2.9656 -2.9518 -2.9518 -2.8983 -2.8983 -2.8850 -2.8850 -2.3808 -2.3808 -2.3490 -2.3490 -2.3490 -2.3490 2.3089 2.3089 2.3741 2.3741 2.5048 2.5048 7.6072 7.6072 7.6081 7.6081 9.8441 9.8441 k = 0.3409 0.0964 0.6124 ( 4865 PWs) bands (ev): -62.9000 -62.9000 -38.8836 -38.8836 -36.4779 -36.4779 -36.4778 -36.4778 -22.6210 -22.6210 -22.6207 -22.6207 -22.5950 -22.5950 -21.7153 -21.7153 -21.5536 -21.5536 -21.5422 -21.5422 -6.1135 -6.1135 -6.1104 -6.1104 -5.6840 -5.6840 -5.5668 -5.5668 -5.5268 -5.5268 -4.4727 -4.4727 -3.6533 -3.6533 -3.5715 -3.5715 -3.4977 -3.4977 -3.1350 -3.1350 -3.0681 -3.0681 -2.9645 -2.9645 -2.9514 -2.9514 -2.8892 -2.8892 -2.8792 -2.8792 -2.3765 -2.3765 -2.3447 -2.3447 -2.3445 -2.3445 2.3124 2.3124 2.3785 2.3785 2.5091 2.5091 7.5809 7.5809 7.5817 7.5817 9.8571 9.8571 k = 0.3466 0.0804 0.6124 ( 4862 PWs) bands (ev): -62.8999 -62.8999 -38.8836 -38.8836 -36.4779 -36.4779 -36.4778 -36.4778 -22.6247 -22.6247 -22.6244 -22.6244 -22.5977 -22.5977 -21.7111 -21.7111 -21.5493 -21.5493 -21.5380 -21.5380 -6.1359 -6.1359 -6.1329 -6.1329 -5.6809 -5.6809 -5.5625 -5.5625 -5.5225 -5.5225 -4.4979 -4.4979 -3.6484 -3.6484 -3.5700 -3.5700 -3.4929 -3.4929 -3.1211 -3.1211 -3.0528 -3.0528 -2.9624 -2.9624 -2.9506 -2.9506 -2.8882 -2.8882 -2.8653 -2.8653 -2.3721 -2.3721 -2.3403 -2.3403 -2.3399 -2.3399 2.3164 2.3164 2.3828 2.3828 2.5134 2.5134 7.5537 7.5537 7.5545 7.5545 9.8732 9.8732 k = 0.3523 0.0643 0.6124 ( 4844 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4779 -36.4779 -36.4777 -36.4777 -22.6285 -22.6285 -22.6282 -22.6282 -22.6004 -22.6004 -21.7068 -21.7068 -21.5449 -21.5449 -21.5337 -21.5337 -6.1585 -6.1585 -6.1556 -6.1556 -5.6770 -5.6770 -5.5582 -5.5582 -5.5183 -5.5183 -4.5227 -4.5227 -3.6451 -3.6451 -3.5698 -3.5698 -3.4900 -3.4900 -3.1055 -3.1055 -3.0366 -3.0366 -2.9588 -2.9588 -2.9495 -2.9495 -2.8885 -2.8885 -2.8499 -2.8499 -2.3675 -2.3675 -2.3358 -2.3358 -2.3352 -2.3352 2.3208 2.3208 2.3870 2.3870 2.5177 2.5177 7.5258 7.5258 7.5265 7.5265 9.8925 9.8925 k = 0.3580 0.0482 0.6124 ( 4850 PWs) bands (ev): -62.8999 -62.8999 -38.8835 -38.8835 -36.4779 -36.4779 -36.4777 -36.4777 -22.6324 -22.6324 -22.6321 -22.6321 -22.6031 -22.6031 -21.7025 -21.7025 -21.5404 -21.5404 -21.5294 -21.5294 -6.1811 -6.1811 -6.1783 -6.1783 -5.6723 -5.6723 -5.5542 -5.5542 -5.5143 -5.5143 -4.5468 -4.5468 -3.6434 -3.6434 -3.5711 -3.5711 -3.4889 -3.4889 -3.0883 -3.0883 -3.0206 -3.0206 -2.9531 -2.9531 -2.9479 -2.9479 -2.8891 -2.8891 -2.8341 -2.8341 -2.3630 -2.3630 -2.3312 -2.3312 -2.3304 -2.3304 2.3257 2.3257 2.3911 2.3911 2.5219 2.5219 7.4973 7.4973 7.4981 7.4981 9.9149 9.9149 k = 0.3636 0.0321 0.6124 ( 4844 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4778 -36.4778 -36.4777 -36.4777 -22.6363 -22.6363 -22.6360 -22.6360 -22.6058 -22.6058 -21.6982 -21.6982 -21.5359 -21.5359 -21.5251 -21.5251 -6.2038 -6.2038 -6.2011 -6.2011 -5.6669 -5.6669 -5.5503 -5.5503 -5.5104 -5.5104 -4.5704 -4.5704 -3.6433 -3.6433 -3.5736 -3.5736 -3.4897 -3.4897 -3.0700 -3.0700 -3.0062 -3.0062 -2.9457 -2.9457 -2.9440 -2.9440 -2.8898 -2.8898 -2.8181 -2.8181 -2.3583 -2.3583 -2.3266 -2.3266 -2.3257 -2.3257 2.3309 2.3309 2.3950 2.3950 2.5261 2.5261 7.4685 7.4685 7.4692 7.4692 9.9403 9.9403 k = 0.3693 0.0161 0.6124 ( 4841 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4778 -36.4778 -36.4777 -36.4777 -22.6403 -22.6403 -22.6400 -22.6400 -22.6085 -22.6085 -21.6938 -21.6938 -21.5312 -21.5312 -21.5208 -21.5208 -6.2262 -6.2262 -6.2236 -6.2236 -5.6608 -5.6608 -5.5466 -5.5466 -5.5067 -5.5067 -4.5932 -4.5932 -3.6445 -3.6445 -3.5771 -3.5771 -3.4923 -3.4923 -3.0507 -3.0507 -2.9945 -2.9945 -2.9429 -2.9429 -2.9306 -2.9306 -2.8907 -2.8907 -2.8019 -2.8019 -2.3537 -2.3537 -2.3220 -2.3220 -2.3210 -2.3210 2.3364 2.3364 2.3987 2.3987 2.5303 2.5303 7.4394 7.4394 7.4401 7.4401 9.9686 9.9686 k = 0.3750-0.0000 0.6124 ( 4847 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4778 -36.4778 -36.4777 -36.4777 -22.6442 -22.6442 -22.6439 -22.6439 -22.6111 -22.6111 -21.6895 -21.6895 -21.5266 -21.5266 -21.5165 -21.5165 -6.2484 -6.2484 -6.2460 -6.2460 -5.6541 -5.6541 -5.5431 -5.5431 -5.5031 -5.5031 -4.6153 -4.6153 -3.6469 -3.6469 -3.5816 -3.5816 -3.4966 -3.4966 -3.0311 -3.0311 -2.9859 -2.9859 -2.9392 -2.9392 -2.9129 -2.9129 -2.8915 -2.8915 -2.7856 -2.7856 -2.3492 -2.3492 -2.3174 -2.3174 -2.3164 -2.3164 2.3423 2.3423 2.4023 2.4023 2.5344 2.5344 7.4103 7.4103 7.4109 7.4109 9.9997 9.9997 k = 0.3807-0.0161 0.6124 ( 4835 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4778 -36.4778 -36.4776 -36.4776 -22.6482 -22.6482 -22.6478 -22.6478 -22.6136 -22.6136 -21.6851 -21.6851 -21.5220 -21.5220 -21.5123 -21.5123 -6.2702 -6.2702 -6.2679 -6.2679 -5.6467 -5.6467 -5.5397 -5.5397 -5.4997 -5.4997 -4.6366 -4.6366 -3.6503 -3.6503 -3.5869 -3.5869 -3.5026 -3.5026 -3.0117 -3.0117 -2.9796 -2.9796 -2.9342 -2.9342 -2.8924 -2.8924 -2.8921 -2.8921 -2.7693 -2.7693 -2.3446 -2.3446 -2.3128 -2.3128 -2.3118 -2.3118 2.3483 2.3483 2.4057 2.4057 2.5384 2.5384 7.3812 7.3812 7.3818 7.3818 10.0334 10.0334 k = 0.3864-0.0321 0.6124 ( 4829 PWs) bands (ev): -62.8997 -62.8997 -38.8835 -38.8835 -36.4778 -36.4778 -36.4776 -36.4776 -22.6520 -22.6520 -22.6517 -22.6517 -22.6161 -22.6161 -21.6809 -21.6809 -21.5174 -21.5174 -21.5082 -21.5082 -6.2916 -6.2916 -6.2895 -6.2895 -5.6388 -5.6388 -5.5366 -5.5366 -5.4964 -5.4964 -4.6571 -4.6571 -3.6547 -3.6547 -3.5928 -3.5928 -3.5100 -3.5100 -2.9936 -2.9936 -2.9745 -2.9745 -2.9273 -2.9273 -2.8932 -2.8932 -2.8692 -2.8692 -2.7531 -2.7531 -2.3402 -2.3402 -2.3083 -2.3083 -2.3073 -2.3073 2.3545 2.3545 2.4088 2.4088 2.5423 2.5423 7.3524 7.3524 7.3530 7.3530 10.0696 10.0696 k = 0.3920-0.0482 0.6124 ( 4832 PWs) bands (ev): -62.8997 -62.8997 -38.8835 -38.8835 -36.4778 -36.4778 -36.4776 -36.4776 -22.6559 -22.6559 -22.6555 -22.6555 -22.6186 -22.6186 -21.6767 -21.6767 -21.5128 -21.5128 -21.5042 -21.5042 -6.3125 -6.3125 -6.3105 -6.3105 -5.6305 -5.6305 -5.5336 -5.5336 -5.4932 -5.4932 -4.6767 -4.6767 -3.6598 -3.6598 -3.5993 -3.5993 -3.5187 -3.5187 -2.9780 -2.9780 -2.9702 -2.9702 -2.9176 -2.9176 -2.8939 -2.8939 -2.8453 -2.8453 -2.7369 -2.7369 -2.3358 -2.3358 -2.3039 -2.3039 -2.3029 -2.3029 2.3608 2.3608 2.4118 2.4118 2.5461 2.5461 7.3240 7.3240 7.3245 7.3245 10.1082 10.1082 k = 0.3977-0.0643 0.6124 ( 4832 PWs) bands (ev): -62.8997 -62.8997 -38.8835 -38.8835 -36.4778 -36.4778 -36.4776 -36.4776 -22.6596 -22.6596 -22.6593 -22.6593 -22.6209 -22.6209 -21.6726 -21.6726 -21.5083 -21.5083 -21.5003 -21.5003 -6.3327 -6.3327 -6.3309 -6.3309 -5.6217 -5.6217 -5.5307 -5.5307 -5.4902 -5.4902 -4.6955 -4.6955 -3.6655 -3.6655 -3.6060 -3.6060 -3.5287 -3.5287 -2.9662 -2.9662 -2.9658 -2.9658 -2.9049 -2.9049 -2.8941 -2.8941 -2.8208 -2.8208 -2.7209 -2.7209 -2.3316 -2.3316 -2.2995 -2.2995 -2.2987 -2.2987 2.3671 2.3671 2.4146 2.4146 2.5498 2.5498 7.2960 7.2960 7.2965 7.2965 10.1489 10.1489 k = 0.4034-0.0804 0.6124 ( 4832 PWs) bands (ev): -62.8997 -62.8997 -38.8835 -38.8835 -36.4777 -36.4777 -36.4776 -36.4776 -22.6632 -22.6632 -22.6630 -22.6630 -22.6231 -22.6231 -21.6686 -21.6686 -21.5039 -21.5039 -21.4965 -21.4965 -6.3523 -6.3523 -6.3506 -6.3506 -5.6126 -5.6126 -5.5281 -5.5281 -5.4873 -5.4873 -4.7133 -4.7133 -3.6717 -3.6717 -3.6131 -3.6131 -3.5396 -3.5396 -2.9624 -2.9624 -2.9568 -2.9568 -2.8972 -2.8972 -2.8860 -2.8860 -2.7961 -2.7961 -2.7051 -2.7051 -2.3275 -2.3275 -2.2954 -2.2954 -2.2946 -2.2946 2.3734 2.3734 2.4172 2.4172 2.5534 2.5534 7.2688 7.2688 7.2692 7.2692 10.1915 10.1915 k = 0.4091-0.0964 0.6124 ( 4838 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4778 -36.4778 -36.4776 -36.4776 -22.6668 -22.6668 -22.6665 -22.6665 -22.6253 -22.6253 -21.6647 -21.6647 -21.4997 -21.4997 -21.4929 -21.4929 -6.3711 -6.3711 -6.3696 -6.3696 -5.6033 -5.6033 -5.5256 -5.5256 -5.4846 -5.4846 -4.7302 -4.7302 -3.6782 -3.6782 -3.6202 -3.6202 -3.5513 -3.5513 -2.9588 -2.9588 -2.9502 -2.9502 -2.8971 -2.8971 -2.8682 -2.8682 -2.7717 -2.7717 -2.6897 -2.6897 -2.3236 -2.3236 -2.2913 -2.2913 -2.2907 -2.2907 2.3797 2.3797 2.4196 2.4196 2.5569 2.5569 7.2423 7.2423 7.2427 7.2427 10.2357 10.2357 k = 0.4148-0.1125 0.6124 ( 4847 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4778 -36.4778 -36.4777 -36.4777 -22.6702 -22.6702 -22.6700 -22.6700 -22.6273 -22.6273 -21.6610 -21.6610 -21.4955 -21.4955 -21.4894 -21.4894 -6.3890 -6.3890 -6.3877 -6.3877 -5.5939 -5.5939 -5.5233 -5.5233 -5.4819 -5.4819 -4.7461 -4.7461 -3.6850 -3.6850 -3.6274 -3.6274 -3.5637 -3.5637 -2.9552 -2.9552 -2.9451 -2.9451 -2.8975 -2.8975 -2.8490 -2.8490 -2.7477 -2.7477 -2.6746 -2.6746 -2.3198 -2.3198 -2.2875 -2.2875 -2.2870 -2.2870 2.3858 2.3858 2.4219 2.4219 2.5602 2.5602 7.2167 7.2167 7.2171 7.2171 10.2814 10.2814 k = 0.4205-0.1286 0.6124 ( 4847 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4778 -36.4778 -36.4777 -36.4777 -22.6735 -22.6735 -22.6732 -22.6732 -22.6292 -22.6292 -21.6575 -21.6575 -21.4916 -21.4916 -21.4861 -21.4861 -6.4061 -6.4061 -6.4049 -6.4049 -5.5844 -5.5844 -5.5211 -5.5211 -5.4794 -5.4794 -4.7611 -4.7611 -3.6919 -3.6919 -3.6345 -3.6345 -3.5764 -3.5764 -2.9517 -2.9517 -2.9409 -2.9409 -2.8978 -2.8978 -2.8296 -2.8296 -2.7244 -2.7244 -2.6600 -2.6600 -2.3163 -2.3163 -2.2839 -2.2839 -2.2834 -2.2834 2.3917 2.3917 2.4239 2.4239 2.5634 2.5634 7.1922 7.1922 7.1925 7.1925 10.3281 10.3281 k = 0.4261-0.1446 0.6124 ( 4847 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4778 -36.4778 -36.4776 -36.4776 -22.6766 -22.6766 -22.6764 -22.6764 -22.6310 -22.6310 -21.6541 -21.6541 -21.4878 -21.4878 -21.4830 -21.4830 -6.4223 -6.4223 -6.4212 -6.4212 -5.5751 -5.5751 -5.5191 -5.5191 -5.4769 -5.4769 -4.7750 -4.7750 -3.6988 -3.6988 -3.6415 -3.6415 -3.5894 -3.5894 -2.9483 -2.9483 -2.9373 -2.9373 -2.8980 -2.8980 -2.8106 -2.8106 -2.7019 -2.7019 -2.6459 -2.6459 -2.3129 -2.3129 -2.2804 -2.2804 -2.2801 -2.2801 2.3974 2.3974 2.4257 2.4257 2.5665 2.5665 7.1688 7.1688 7.1691 7.1691 10.3755 10.3755 k = 0.4318-0.1607 0.6124 ( 4841 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4777 -36.4777 -36.4776 -36.4776 -22.6795 -22.6795 -22.6793 -22.6793 -22.6327 -22.6327 -21.6509 -21.6509 -21.4842 -21.4842 -21.4800 -21.4800 -6.4374 -6.4374 -6.4365 -6.4365 -5.5659 -5.5659 -5.5173 -5.5173 -5.4745 -5.4745 -4.7879 -4.7879 -3.7056 -3.7056 -3.6482 -3.6482 -3.6023 -3.6023 -2.9450 -2.9450 -2.9343 -2.9343 -2.8981 -2.8981 -2.7923 -2.7923 -2.6804 -2.6804 -2.6325 -2.6325 -2.3098 -2.3098 -2.2772 -2.2772 -2.2770 -2.2770 2.4028 2.4028 2.4274 2.4274 2.5695 2.5695 7.1467 7.1467 7.1469 7.1469 10.4230 10.4230 k = 0.4375-0.1768 0.6124 ( 4829 PWs) bands (ev): -62.8997 -62.8997 -38.8834 -38.8834 -36.4777 -36.4777 -36.4776 -36.4776 -22.6822 -22.6822 -22.6821 -22.6821 -22.6343 -22.6343 -21.6480 -21.6480 -21.4809 -21.4809 -21.4772 -21.4772 -6.4515 -6.4515 -6.4507 -6.4507 -5.5571 -5.5571 -5.5156 -5.5156 -5.4721 -5.4721 -4.7998 -4.7998 -3.7123 -3.7123 -3.6547 -3.6547 -3.6149 -3.6149 -2.9419 -2.9419 -2.9318 -2.9318 -2.8979 -2.8979 -2.7750 -2.7750 -2.6601 -2.6601 -2.6197 -2.6197 -2.3068 -2.3068 -2.2742 -2.2742 -2.2741 -2.2741 2.4079 2.4079 2.4289 2.4289 2.5722 2.5722 7.1260 7.1260 7.1262 7.1262 10.4703 10.4703 k = 0.4432-0.1928 0.6124 ( 4829 PWs) bands (ev): -62.8997 -62.8997 -38.8834 -38.8834 -36.4777 -36.4777 -36.4776 -36.4776 -22.6848 -22.6848 -22.6846 -22.6846 -22.6357 -22.6357 -21.6452 -21.6452 -21.4777 -21.4777 -21.4747 -21.4747 -6.4645 -6.4645 -6.4639 -6.4639 -5.5487 -5.5487 -5.5140 -5.5140 -5.4698 -5.4698 -4.8107 -4.8107 -3.7189 -3.7189 -3.6608 -3.6608 -3.6272 -3.6272 -2.9389 -2.9389 -2.9296 -2.9296 -2.8975 -2.8975 -2.7588 -2.7588 -2.6411 -2.6411 -2.6076 -2.6076 -2.3042 -2.3042 -2.2715 -2.2715 -2.2714 -2.2714 2.4126 2.4126 2.4302 2.4302 2.5748 2.5748 7.1067 7.1067 7.1068 7.1068 10.5162 10.5162 k = 0.4489-0.2089 0.6124 ( 4841 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4777 -36.4777 -36.4776 -36.4776 -22.6871 -22.6871 -22.6870 -22.6870 -22.6370 -22.6370 -21.6427 -21.6427 -21.4749 -21.4749 -21.4724 -21.4724 -6.4764 -6.4764 -6.4759 -6.4759 -5.5409 -5.5409 -5.5127 -5.5127 -5.4675 -5.4675 -4.8205 -4.8205 -3.7252 -3.7252 -3.6664 -3.6664 -3.6387 -3.6387 -2.9361 -2.9361 -2.9279 -2.9279 -2.8970 -2.8970 -2.7439 -2.7439 -2.6235 -2.6235 -2.5964 -2.5964 -2.3018 -2.3018 -2.2691 -2.2691 -2.2690 -2.2690 2.4169 2.4169 2.4314 2.4314 2.5773 2.5773 7.0889 7.0889 7.0891 7.0891 10.5596 10.5596 k = 0.4545-0.2250 0.6124 ( 4847 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4777 -36.4777 -36.4776 -36.4776 -22.6892 -22.6892 -22.6891 -22.6891 -22.6382 -22.6382 -21.6404 -21.6404 -21.4722 -21.4722 -21.4702 -21.4702 -6.4871 -6.4871 -6.4867 -6.4867 -5.5338 -5.5338 -5.5114 -5.5114 -5.4653 -5.4653 -4.8293 -4.8293 -3.7312 -3.7312 -3.6717 -3.6717 -3.6495 -3.6495 -2.9335 -2.9335 -2.9265 -2.9265 -2.8963 -2.8963 -2.7304 -2.7304 -2.6074 -2.6074 -2.5860 -2.5860 -2.2996 -2.2996 -2.2669 -2.2669 -2.2668 -2.2668 2.4209 2.4209 2.4324 2.4324 2.5795 2.5795 7.0728 7.0728 7.0730 7.0730 10.6001 10.6001 k = 0.4602-0.2411 0.6124 ( 4844 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4777 -36.4777 -36.4776 -36.4776 -22.6911 -22.6911 -22.6910 -22.6910 -22.6392 -22.6392 -21.6384 -21.6384 -21.4699 -21.4699 -21.4684 -21.4684 -6.4967 -6.4967 -6.4964 -6.4964 -5.5274 -5.5274 -5.5104 -5.5104 -5.4631 -5.4631 -4.8370 -4.8370 -3.7368 -3.7368 -3.6764 -3.6764 -3.6592 -3.6592 -2.9311 -2.9311 -2.9254 -2.9254 -2.8954 -2.8954 -2.7184 -2.7184 -2.5930 -2.5930 -2.5766 -2.5766 -2.2977 -2.2977 -2.2649 -2.2649 -2.2649 -2.2649 2.4244 2.4244 2.4333 2.4333 2.5815 2.5815 7.0585 7.0585 7.0585 7.0585 10.6383 10.6383 k = 0.4659-0.2571 0.6124 ( 4844 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4777 -36.4777 -36.4776 -36.4776 -22.6928 -22.6928 -22.6927 -22.6927 -22.6401 -22.6401 -21.6366 -21.6366 -21.4679 -21.4679 -21.4667 -21.4667 -6.5050 -6.5050 -6.5048 -6.5048 -5.5219 -5.5219 -5.5094 -5.5094 -5.4610 -5.4610 -4.8437 -4.8437 -3.7420 -3.7420 -3.6805 -3.6805 -3.6679 -3.6679 -2.9290 -2.9290 -2.9245 -2.9245 -2.8946 -2.8946 -2.7079 -2.7079 -2.5803 -2.5803 -2.5683 -2.5683 -2.2960 -2.2960 -2.2633 -2.2633 -2.2632 -2.2632 2.4275 2.4275 2.4340 2.4340 2.5833 2.5833 7.0459 7.0459 7.0459 7.0459 10.6744 10.6744 k = 0.4716-0.2732 0.6124 ( 4859 PWs) bands (ev): -62.8999 -62.8999 -38.8835 -38.8835 -36.4777 -36.4777 -36.4777 -36.4777 -22.6942 -22.6942 -22.6941 -22.6941 -22.6409 -22.6409 -21.6351 -21.6351 -21.4661 -21.4661 -21.4653 -21.4653 -6.5121 -6.5121 -6.5119 -6.5119 -5.5172 -5.5172 -5.5086 -5.5086 -5.4590 -5.4590 -4.8493 -4.8493 -3.7466 -3.7466 -3.6841 -3.6841 -3.6753 -3.6753 -2.9272 -2.9272 -2.9240 -2.9240 -2.8937 -2.8937 -2.6990 -2.6990 -2.5695 -2.5695 -2.5611 -2.5611 -2.2946 -2.2946 -2.2619 -2.2619 -2.2618 -2.2618 2.4301 2.4301 2.4346 2.4346 2.5848 2.5848 7.0351 7.0351 7.0351 7.0351 10.7078 10.7078 k = 0.4773-0.2893 0.6124 ( 4877 PWs) bands (ev): -62.9000 -62.9000 -38.8836 -38.8836 -36.4778 -36.4778 -36.4778 -36.4778 -22.6953 -22.6953 -22.6953 -22.6953 -22.6416 -22.6416 -21.6339 -21.6339 -21.4647 -21.4647 -21.4642 -21.4642 -6.5179 -6.5179 -6.5178 -6.5178 -5.5135 -5.5135 -5.5080 -5.5080 -5.4573 -5.4573 -4.8539 -4.8539 -3.7505 -3.7505 -3.6870 -3.6870 -3.6814 -3.6814 -2.9257 -2.9257 -2.9235 -2.9235 -2.8930 -2.8930 -2.6916 -2.6916 -2.5605 -2.5605 -2.5552 -2.5552 -2.2935 -2.2935 -2.2607 -2.2607 -2.2607 -2.2607 2.4322 2.4322 2.4351 2.4351 2.5861 2.5861 7.0262 7.0262 7.0262 7.0262 10.7375 10.7375 k = 0.4830-0.3053 0.6124 ( 4874 PWs) bands (ev): -62.9000 -62.9000 -38.8836 -38.8836 -36.4778 -36.4778 -36.4777 -36.4777 -22.6962 -22.6962 -22.6962 -22.6962 -22.6420 -22.6420 -21.6329 -21.6329 -21.4636 -21.4636 -21.4633 -21.4633 -6.5225 -6.5225 -6.5224 -6.5224 -5.5105 -5.5105 -5.5075 -5.5075 -5.4558 -5.4558 -4.8575 -4.8575 -3.7537 -3.7537 -3.6894 -3.6894 -3.6862 -3.6862 -2.9244 -2.9244 -2.9232 -2.9232 -2.8923 -2.8923 -2.6859 -2.6859 -2.5534 -2.5534 -2.5505 -2.5505 -2.2926 -2.2926 -2.2598 -2.2598 -2.2598 -2.2598 2.4339 2.4339 2.4355 2.4355 2.5871 2.5871 7.0193 7.0193 7.0193 7.0193 10.7623 10.7623 k = 0.4886-0.3214 0.6124 ( 4874 PWs) bands (ev): -62.9000 -62.9000 -38.8836 -38.8836 -36.4778 -36.4778 -36.4777 -36.4777 -22.6969 -22.6969 -22.6969 -22.6969 -22.6424 -22.6424 -21.6322 -21.6322 -21.4628 -21.4628 -21.4626 -21.4626 -6.5257 -6.5257 -6.5257 -6.5257 -5.5085 -5.5085 -5.5071 -5.5071 -5.4547 -5.4547 -4.8601 -4.8601 -3.7561 -3.7561 -3.6910 -3.6910 -3.6896 -3.6896 -2.9236 -2.9236 -2.9230 -2.9230 -2.8918 -2.8918 -2.6818 -2.6818 -2.5484 -2.5484 -2.5470 -2.5470 -2.2919 -2.2919 -2.2592 -2.2592 -2.2592 -2.2592 2.4351 2.4351 2.4358 2.4358 2.5878 2.5878 7.0143 7.0143 7.0143 7.0143 10.7810 10.7810 k = 0.4943-0.3375 0.6124 ( 4874 PWs) bands (ev): -62.9000 -62.9000 -38.8836 -38.8836 -36.4778 -36.4778 -36.4777 -36.4777 -22.6973 -22.6973 -22.6972 -22.6972 -22.6426 -22.6426 -21.6318 -21.6318 -21.4623 -21.4623 -21.4623 -21.4623 -6.5277 -6.5277 -6.5277 -6.5277 -5.5073 -5.5073 -5.5069 -5.5069 -5.4540 -5.4540 -4.8616 -4.8616 -3.7575 -3.7575 -3.6920 -3.6920 -3.6917 -3.6917 -2.9231 -2.9231 -2.9229 -2.9229 -2.8915 -2.8915 -2.6794 -2.6794 -2.5453 -2.5453 -2.5450 -2.5450 -2.2916 -2.2916 -2.2588 -2.2588 -2.2588 -2.2588 2.4358 2.4358 2.4360 2.4360 2.5883 2.5883 7.0113 7.0113 7.0113 7.0113 10.7926 10.7926 k = 0.5000-0.3536 0.6124 ( 4874 PWs) bands (ev): -62.9000 -62.9000 -38.8836 -38.8836 -36.4778 -36.4778 -36.4777 -36.4777 -22.6974 -22.6974 -22.6974 -22.6974 -22.6427 -22.6427 -21.6317 -21.6317 -21.4622 -21.4622 -21.4621 -21.4621 -6.5283 -6.5283 -6.5283 -6.5283 -5.5069 -5.5069 -5.5069 -5.5069 -5.4537 -5.4537 -4.8621 -4.8621 -3.7580 -3.7580 -3.6924 -3.6924 -3.6924 -3.6924 -2.9229 -2.9229 -2.9229 -2.9229 -2.8914 -2.8914 -2.6786 -2.6786 -2.5443 -2.5443 -2.5443 -2.5443 -2.2914 -2.2914 -2.2587 -2.2587 -2.2587 -2.2587 2.4360 2.4360 2.4360 2.4360 2.5884 2.5884 7.0103 7.0103 7.0103 7.0103 10.7966 10.7966 k = 0.2500 0.3536 0.6124 ( 4904 PWs) bands (ev): -62.9002 -62.9002 -38.8837 -38.8837 -36.4780 -36.4780 -36.4780 -36.4780 -22.5875 -22.5875 -22.5875 -22.5875 -22.5672 -22.5672 -21.7535 -21.7535 -21.5872 -21.5872 -21.5871 -21.5871 -5.8906 -5.8906 -5.8906 -5.8906 -5.6434 -5.6434 -5.6434 -5.6434 -5.5934 -5.5934 -4.1367 -4.1367 -3.8008 -3.8008 -3.6699 -3.6699 -3.6699 -3.6699 -3.1652 -3.1652 -3.1009 -3.1009 -3.1009 -3.1009 -2.9333 -2.9333 -2.9332 -2.9332 -2.9048 -2.9048 -2.4177 -2.4177 -2.3870 -2.3870 -2.3869 -2.3869 2.3123 2.3123 2.3123 2.3123 2.4634 2.4634 7.8186 7.8186 7.8186 7.8186 10.0028 10.0028 k = 0.2404 0.3400 0.6124 ( 4878 PWs) bands (ev): -62.9001 -62.9001 -38.8837 -38.8837 -36.4780 -36.4780 -36.4779 -36.4779 -22.5877 -22.5877 -22.5875 -22.5875 -22.5674 -22.5674 -21.7533 -21.7533 -21.5875 -21.5875 -21.5864 -21.5864 -5.8927 -5.8927 -5.8906 -5.8906 -5.6471 -5.6471 -5.6400 -5.6400 -5.5926 -5.5926 -4.1392 -4.1392 -3.7994 -3.7994 -3.6700 -3.6700 -3.6675 -3.6675 -3.1661 -3.1661 -3.1058 -3.1058 -3.0941 -3.0941 -2.9364 -2.9364 -2.9308 -2.9308 -2.9045 -2.9045 -2.4176 -2.4176 -2.3870 -2.3870 -2.3864 -2.3864 2.3098 2.3098 2.3151 2.3151 2.4637 2.4637 7.8169 7.8169 7.8186 7.8186 9.9875 9.9875 k = 0.2308 0.3264 0.6124 ( 4864 PWs) bands (ev): -62.9000 -62.9000 -38.8836 -38.8836 -36.4780 -36.4780 -36.4779 -36.4779 -22.5886 -22.5886 -22.5875 -22.5875 -22.5678 -22.5678 -21.7528 -21.7528 -21.5877 -21.5877 -21.5852 -21.5852 -5.8988 -5.8988 -5.8906 -5.8906 -5.6511 -5.6511 -5.6369 -5.6369 -5.5904 -5.5904 -4.1465 -4.1465 -3.7958 -3.7958 -3.6703 -3.6703 -3.6604 -3.6604 -3.1689 -3.1689 -3.1079 -3.1079 -3.0864 -3.0864 -2.9404 -2.9404 -2.9291 -2.9291 -2.9035 -2.9035 -2.4170 -2.4170 -2.3869 -2.3869 -2.3854 -2.3854 2.3076 2.3076 2.3180 2.3180 2.4644 2.4644 7.8116 7.8116 7.8186 7.8186 9.9505 9.9505 k = 0.2212 0.3128 0.6124 ( 4848 PWs) bands (ev): -62.8998 -62.8998 -38.8836 -38.8836 -36.4779 -36.4779 -36.4779 -36.4779 -22.5900 -22.5900 -22.5875 -22.5875 -22.5683 -22.5683 -21.7521 -21.7521 -21.5877 -21.5877 -21.5834 -21.5834 -5.9088 -5.9088 -5.8906 -5.8906 -5.6552 -5.6552 -5.6343 -5.6343 -5.5868 -5.5868 -4.1575 -4.1575 -3.7911 -3.7911 -3.6707 -3.6707 -3.6486 -3.6486 -3.1741 -3.1741 -3.1064 -3.1064 -3.0779 -3.0779 -2.9451 -2.9451 -2.9278 -2.9278 -2.9022 -2.9022 -2.4162 -2.4162 -2.3865 -2.3865 -2.3839 -2.3839 2.3056 2.3056 2.3211 2.3211 2.4656 2.4656 7.8028 7.8028 7.8186 7.8186 9.9044 9.9044 k = 0.2115 0.2992 0.6124 ( 4856 PWs) bands (ev): -62.8999 -62.8999 -38.8836 -38.8836 -36.4779 -36.4779 -36.4779 -36.4779 -22.5921 -22.5921 -22.5875 -22.5875 -22.5690 -22.5690 -21.7510 -21.7510 -21.5878 -21.5878 -21.5811 -21.5811 -5.9224 -5.9224 -5.8906 -5.8906 -5.6594 -5.6594 -5.6320 -5.6320 -5.5821 -5.5821 -4.1711 -4.1711 -3.7865 -3.7865 -3.6714 -3.6714 -3.6325 -3.6325 -3.1815 -3.1815 -3.1013 -3.1013 -3.0688 -3.0688 -2.9503 -2.9503 -2.9269 -2.9269 -2.9007 -2.9007 -2.4151 -2.4151 -2.3858 -2.3858 -2.3818 -2.3818 2.3039 2.3039 2.3243 2.3243 2.4672 2.4672 7.7906 7.7906 7.8186 7.8186 9.8555 9.8555 k = 0.2019 0.2856 0.6124 ( 4860 PWs) bands (ev): -62.8999 -62.8999 -38.8836 -38.8836 -36.4779 -36.4779 -36.4779 -36.4779 -22.5948 -22.5948 -22.5875 -22.5875 -22.5697 -22.5697 -21.7497 -21.7497 -21.5877 -21.5877 -21.5781 -21.5781 -5.9393 -5.9393 -5.8906 -5.8906 -5.6635 -5.6635 -5.6299 -5.6299 -5.5765 -5.5765 -4.1862 -4.1862 -3.7827 -3.7827 -3.6722 -3.6722 -3.6132 -3.6132 -3.1907 -3.1907 -3.0929 -3.0929 -3.0586 -3.0586 -2.9559 -2.9559 -2.9262 -2.9262 -2.8993 -2.8993 -2.4139 -2.4139 -2.3849 -2.3849 -2.3792 -2.3792 2.3025 2.3025 2.3275 2.3275 2.4693 2.4693 7.7753 7.7753 7.8186 7.8186 9.8068 9.8068 k = 0.1923 0.2720 0.6124 ( 4854 PWs) bands (ev): -62.8999 -62.8999 -38.8836 -38.8836 -36.4779 -36.4779 -36.4779 -36.4779 -22.5983 -22.5983 -22.5875 -22.5875 -22.5704 -22.5704 -21.7483 -21.7483 -21.5877 -21.5877 -21.5746 -21.5746 -5.9592 -5.9592 -5.8906 -5.8906 -5.6674 -5.6674 -5.6281 -5.6281 -5.5702 -5.5702 -4.2019 -4.2019 -3.7799 -3.7799 -3.6732 -3.6732 -3.5918 -3.5918 -3.2012 -3.2012 -3.0827 -3.0827 -3.0464 -3.0464 -2.9617 -2.9617 -2.9256 -2.9256 -2.8981 -2.8981 -2.4126 -2.4126 -2.3836 -2.3836 -2.3762 -2.3762 2.3014 2.3014 2.3308 2.3308 2.4719 2.4719 7.7570 7.7570 7.8186 7.8186 9.7595 9.7595 k = 0.1827 0.2584 0.6124 ( 4858 PWs) bands (ev): -62.8999 -62.8999 -38.8836 -38.8836 -36.4779 -36.4779 -36.4779 -36.4779 -22.6024 -22.6024 -22.5875 -22.5875 -22.5709 -22.5709 -21.7468 -21.7468 -21.5876 -21.5876 -21.5705 -21.5705 -5.9815 -5.9815 -5.8906 -5.8906 -5.6711 -5.6711 -5.6265 -5.6265 -5.5634 -5.5634 -4.2175 -4.2175 -3.7781 -3.7781 -3.6743 -3.6743 -3.5696 -3.5696 -3.2125 -3.2125 -3.0721 -3.0721 -3.0309 -3.0309 -2.9677 -2.9677 -2.9251 -2.9251 -2.8972 -2.8972 -2.4113 -2.4113 -2.3819 -2.3819 -2.3729 -2.3729 2.3006 2.3006 2.3341 2.3341 2.4749 2.4749 7.7360 7.7360 7.8186 7.8186 9.7143 9.7143 k = 0.1731 0.2448 0.6124 ( 4858 PWs) bands (ev): -62.8999 -62.8999 -38.8836 -38.8836 -36.4779 -36.4779 -36.4779 -36.4779 -22.6070 -22.6070 -22.5875 -22.5875 -22.5714 -22.5714 -21.7451 -21.7451 -21.5875 -21.5875 -21.5659 -21.5659 -6.0058 -6.0058 -5.8906 -5.8906 -5.6747 -5.6747 -5.6251 -5.6251 -5.5562 -5.5562 -4.2325 -4.2325 -3.7772 -3.7772 -3.6756 -3.6756 -3.5479 -3.5479 -3.2245 -3.2245 -3.0627 -3.0627 -3.0109 -3.0109 -2.9734 -2.9734 -2.9246 -2.9246 -2.8966 -2.8966 -2.4102 -2.4102 -2.3797 -2.3797 -2.3692 -2.3692 2.3000 2.3000 2.3373 2.3373 2.4782 2.4782 7.7125 7.7125 7.8186 7.8186 9.6714 9.6714 k = 0.1635 0.2312 0.6124 ( 4858 PWs) bands (ev): -62.8999 -62.8999 -38.8836 -38.8836 -36.4779 -36.4779 -36.4778 -36.4778 -22.6121 -22.6121 -22.5875 -22.5875 -22.5718 -22.5718 -21.7435 -21.7435 -21.5874 -21.5874 -21.5609 -21.5609 -6.0317 -6.0317 -5.8906 -5.8906 -5.6780 -5.6780 -5.6238 -5.6238 -5.5487 -5.5487 -4.2468 -4.2468 -3.7769 -3.7769 -3.6771 -3.6771 -3.5274 -3.5274 -3.2368 -3.2368 -3.0549 -3.0549 -2.9881 -2.9881 -2.9772 -2.9772 -2.9241 -2.9241 -2.8962 -2.8962 -2.4093 -2.4093 -2.3772 -2.3772 -2.3653 -2.3653 2.2997 2.2997 2.3405 2.3405 2.4819 2.4819 7.6869 7.6869 7.8185 7.8185 9.6312 9.6312 k = 0.1538 0.2176 0.6124 ( 4858 PWs) bands (ev): -62.8999 -62.8999 -38.8836 -38.8836 -36.4779 -36.4779 -36.4778 -36.4778 -22.6176 -22.6176 -22.5875 -22.5875 -22.5721 -22.5721 -21.7418 -21.7418 -21.5873 -21.5873 -21.5555 -21.5555 -6.0588 -6.0588 -5.8906 -5.8906 -5.6810 -5.6810 -5.6227 -5.6227 -5.5410 -5.5410 -4.2601 -4.2601 -3.7771 -3.7771 -3.6786 -3.6786 -3.5087 -3.5087 -3.2493 -3.2493 -3.0484 -3.0484 -2.9862 -2.9862 -2.9557 -2.9557 -2.9236 -2.9236 -2.8960 -2.8960 -2.4086 -2.4086 -2.3743 -2.3743 -2.3612 -2.3612 2.2996 2.2996 2.3436 2.3436 2.4859 2.4859 7.6596 7.6596 7.8185 7.8185 9.5937 9.5937 k = 0.1442 0.2040 0.6124 ( 4860 PWs) bands (ev): -62.8999 -62.8999 -38.8836 -38.8836 -36.4779 -36.4779 -36.4778 -36.4778 -22.6233 -22.6233 -22.5875 -22.5875 -22.5723 -22.5723 -21.7403 -21.7403 -21.5872 -21.5872 -21.5498 -21.5498 -6.0865 -6.0865 -5.8906 -5.8906 -5.6837 -5.6837 -5.6217 -5.6217 -5.5333 -5.5333 -4.2723 -4.2723 -3.7777 -3.7777 -3.6803 -3.6803 -3.4920 -3.4920 -3.2618 -3.2618 -3.0433 -3.0433 -2.9909 -2.9909 -2.9254 -2.9254 -2.9216 -2.9216 -2.8959 -2.8959 -2.4082 -2.4082 -2.3711 -2.3711 -2.3570 -2.3570 2.2997 2.2997 2.3465 2.3465 2.4901 2.4901 7.6310 7.6310 7.8185 7.8185 9.5588 9.5588 k = 0.1346 0.1904 0.6124 ( 4862 PWs) bands (ev): -62.9000 -62.9000 -38.8836 -38.8836 -36.4779 -36.4779 -36.4778 -36.4778 -22.6291 -22.6291 -22.5875 -22.5875 -22.5725 -22.5725 -21.7388 -21.7388 -21.5871 -21.5871 -21.5439 -21.5439 -6.1145 -6.1145 -5.8906 -5.8906 -5.6862 -5.6862 -5.6208 -5.6208 -5.5256 -5.5256 -4.2834 -4.2834 -3.7786 -3.7786 -3.6820 -3.6820 -3.4776 -3.4776 -3.2743 -3.2743 -3.0393 -3.0393 -2.9951 -2.9951 -2.9229 -2.9229 -2.8967 -2.8967 -2.8885 -2.8885 -2.4080 -2.4080 -2.3677 -2.3677 -2.3526 -2.3526 2.2999 2.2999 2.3494 2.3494 2.4946 2.4946 7.6015 7.6015 7.8185 7.8185 9.5267 9.5267 k = 0.1250 0.1768 0.6124 ( 4840 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4779 -36.4779 -36.4777 -36.4777 -22.6350 -22.6350 -22.5875 -22.5875 -22.5727 -22.5727 -21.7374 -21.7374 -21.5870 -21.5870 -21.5378 -21.5378 -6.1423 -6.1423 -5.8906 -5.8906 -5.6884 -5.6884 -5.6199 -5.6199 -5.5179 -5.5179 -4.2935 -4.2935 -3.7797 -3.7797 -3.6838 -3.6838 -3.4651 -3.4651 -3.2865 -3.2865 -3.0367 -3.0367 -2.9984 -2.9984 -2.9225 -2.9225 -2.8967 -2.8967 -2.8527 -2.8527 -2.4079 -2.4079 -2.3643 -2.3643 -2.3482 -2.3482 2.3003 2.3003 2.3521 2.3521 2.4991 2.4991 7.5714 7.5714 7.8184 7.8184 9.4973 9.4973 k = 0.1154 0.1632 0.6124 ( 4848 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4779 -36.4779 -36.4778 -36.4778 -22.6408 -22.6408 -22.5875 -22.5875 -22.5728 -22.5728 -21.7361 -21.7361 -21.5869 -21.5869 -21.5317 -21.5317 -6.1695 -6.1695 -5.8906 -5.8906 -5.6904 -5.6904 -5.6192 -5.6192 -5.5104 -5.5104 -4.3025 -4.3025 -3.7809 -3.7809 -3.6857 -3.6857 -3.4545 -3.4545 -3.2985 -3.2985 -3.0355 -3.0355 -3.0005 -3.0005 -2.9221 -2.9221 -2.8971 -2.8971 -2.8159 -2.8159 -2.4080 -2.4080 -2.3609 -2.3609 -2.3438 -2.3438 2.3008 2.3008 2.3546 2.3546 2.5037 2.5037 7.5414 7.5414 7.8184 7.8184 9.4705 9.4705 k = 0.1058 0.1496 0.6124 ( 4840 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4779 -36.4779 -36.4777 -36.4777 -22.6465 -22.6465 -22.5875 -22.5875 -22.5729 -22.5729 -21.7349 -21.7349 -21.5867 -21.5867 -21.5257 -21.5257 -6.1959 -6.1959 -5.8906 -5.8906 -5.6921 -5.6921 -5.6185 -5.6185 -5.5032 -5.5032 -4.3106 -4.3106 -3.7823 -3.7823 -3.6875 -3.6875 -3.4456 -3.4456 -3.3099 -3.3099 -3.0358 -3.0358 -3.0013 -3.0013 -2.9218 -2.9218 -2.8975 -2.8975 -2.7790 -2.7790 -2.4081 -2.4081 -2.3577 -2.3577 -2.3395 -2.3395 2.3014 2.3014 2.3570 2.3570 2.5083 2.5083 7.5117 7.5117 7.8184 7.8184 9.4462 9.4462 k = 0.0962 0.1360 0.6124 ( 4842 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4779 -36.4779 -36.4777 -36.4777 -22.6520 -22.6520 -22.5875 -22.5875 -22.5730 -22.5730 -21.7338 -21.7338 -21.5866 -21.5866 -21.5199 -21.5199 -6.2210 -6.2210 -5.8906 -5.8906 -5.6936 -5.6936 -5.6180 -5.6180 -5.4963 -5.4963 -4.3177 -4.3177 -3.7837 -3.7837 -3.6893 -3.6893 -3.4381 -3.4381 -3.3208 -3.3208 -3.0372 -3.0372 -3.0010 -3.0010 -2.9215 -2.9215 -2.8980 -2.8980 -2.7429 -2.7429 -2.4083 -2.4083 -2.3546 -2.3546 -2.3352 -2.3352 2.3020 2.3020 2.3592 2.3592 2.5128 2.5128 7.4829 7.4829 7.8184 7.8184 9.4244 9.4244 k = 0.0865 0.1224 0.6124 ( 4838 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4779 -36.4779 -36.4777 -36.4777 -22.6571 -22.6571 -22.5875 -22.5875 -22.5731 -22.5731 -21.7329 -21.7329 -21.5865 -21.5865 -21.5143 -21.5143 -6.2446 -6.2446 -5.8906 -5.8906 -5.6949 -5.6949 -5.6174 -5.6174 -5.4898 -5.4898 -4.3239 -4.3239 -3.7851 -3.7851 -3.6911 -3.6911 -3.4319 -3.4319 -3.3309 -3.3309 -3.0393 -3.0393 -3.0000 -3.0000 -2.9213 -2.9213 -2.8985 -2.8985 -2.7083 -2.7083 -2.4086 -2.4086 -2.3518 -2.3518 -2.3312 -2.3312 2.3026 2.3026 2.3613 2.3613 2.5170 2.5170 7.4554 7.4554 7.8184 7.8184 9.4049 9.4049 k = 0.0769 0.1088 0.6124 ( 4842 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4779 -36.4779 -36.4777 -36.4777 -22.6619 -22.6619 -22.5875 -22.5875 -22.5732 -22.5732 -21.7321 -21.7321 -21.5864 -21.5864 -21.5091 -21.5091 -6.2664 -6.2664 -5.8906 -5.8906 -5.6960 -5.6960 -5.6170 -5.6170 -5.4838 -5.4838 -4.3294 -4.3294 -3.7865 -3.7865 -3.6928 -3.6928 -3.4267 -3.4267 -3.3403 -3.3403 -3.0417 -3.0417 -2.9986 -2.9986 -2.9211 -2.9211 -2.8989 -2.8989 -2.6758 -2.6758 -2.4089 -2.4089 -2.3492 -2.3492 -2.3274 -2.3274 2.3032 2.3032 2.3631 2.3631 2.5211 2.5211 7.4295 7.4295 7.8183 7.8183 9.3878 9.3878 k = 0.0673 0.0952 0.6124 ( 4842 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4779 -36.4779 -36.4777 -36.4777 -22.6663 -22.6663 -22.5875 -22.5875 -22.5732 -22.5732 -21.7313 -21.7313 -21.5863 -21.5863 -21.5042 -21.5042 -6.2862 -6.2862 -5.8906 -5.8906 -5.6970 -5.6970 -5.6166 -5.6166 -5.4783 -5.4783 -4.3340 -4.3340 -3.7878 -3.7878 -3.6944 -3.6944 -3.4225 -3.4225 -3.3488 -3.3488 -3.0442 -3.0442 -2.9971 -2.9971 -2.9210 -2.9210 -2.8993 -2.8993 -2.6458 -2.6458 -2.4092 -2.4092 -2.3469 -2.3469 -2.3239 -2.3239 2.3037 2.3037 2.3648 2.3648 2.5248 2.5248 7.4057 7.4057 7.8183 7.8183 9.3728 9.3728 k = 0.0577 0.0816 0.6124 ( 4846 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4779 -36.4779 -36.4777 -36.4777 -22.6702 -22.6702 -22.5875 -22.5875 -22.5733 -22.5733 -21.7307 -21.7307 -21.5863 -21.5863 -21.4999 -21.4999 -6.3038 -6.3038 -5.8906 -5.8906 -5.6978 -5.6978 -5.6163 -5.6163 -5.4734 -5.4734 -4.3380 -4.3380 -3.7891 -3.7891 -3.6959 -3.6959 -3.4190 -3.4190 -3.3564 -3.3564 -3.0466 -3.0466 -2.9957 -2.9957 -2.9209 -2.9209 -2.8997 -2.8997 -2.6189 -2.6189 -2.4095 -2.4095 -2.3449 -2.3449 -2.3207 -2.3207 2.3042 2.3042 2.3663 2.3663 2.5282 2.5282 7.3843 7.3843 7.8183 7.8183 9.3600 9.3600 k = 0.0481 0.0680 0.6124 ( 4842 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4779 -36.4779 -36.4777 -36.4777 -22.6736 -22.6736 -22.5875 -22.5875 -22.5733 -22.5733 -21.7302 -21.7302 -21.5862 -21.5862 -21.4961 -21.4961 -6.3189 -6.3189 -5.8906 -5.8906 -5.6984 -5.6984 -5.6160 -5.6160 -5.4691 -5.4691 -4.3412 -4.3412 -3.7902 -3.7902 -3.6972 -3.6972 -3.4162 -3.4162 -3.3629 -3.3629 -3.0486 -3.0486 -2.9944 -2.9944 -2.9208 -2.9208 -2.9000 -2.9000 -2.5955 -2.5955 -2.4097 -2.4097 -2.3432 -2.3432 -2.3180 -2.3180 2.3047 2.3047 2.3676 2.3676 2.5311 2.5311 7.3657 7.3657 7.8183 7.8183 9.3492 9.3492 k = 0.0385 0.0544 0.6124 ( 4836 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4779 -36.4779 -36.4776 -36.4776 -22.6764 -22.6764 -22.5875 -22.5875 -22.5733 -22.5733 -21.7298 -21.7298 -21.5861 -21.5861 -21.4930 -21.4930 -6.3315 -6.3315 -5.8906 -5.8906 -5.6989 -5.6989 -5.6157 -5.6157 -5.4655 -5.4655 -4.3438 -4.3438 -3.7911 -3.7911 -3.6982 -3.6982 -3.4141 -3.4141 -3.3683 -3.3683 -3.0504 -3.0504 -2.9932 -2.9932 -2.9208 -2.9208 -2.9002 -2.9002 -2.5759 -2.5759 -2.4100 -2.4100 -2.3418 -2.3418 -2.3156 -2.3156 2.3051 2.3051 2.3687 2.3687 2.5336 2.5336 7.3501 7.3501 7.8183 7.8183 9.3405 9.3405 k = 0.0288 0.0408 0.6124 ( 4830 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4779 -36.4779 -36.4776 -36.4776 -22.6786 -22.6786 -22.5875 -22.5875 -22.5733 -22.5733 -21.7295 -21.7295 -21.5861 -21.5861 -21.4904 -21.4904 -6.3414 -6.3414 -5.8906 -5.8906 -5.6993 -5.6993 -5.6156 -5.6156 -5.4627 -5.4627 -4.3459 -4.3459 -3.7918 -3.7918 -3.6991 -3.6991 -3.4124 -3.4124 -3.3726 -3.3726 -3.0518 -3.0518 -2.9923 -2.9923 -2.9207 -2.9207 -2.9004 -2.9004 -2.5603 -2.5603 -2.4101 -2.4101 -2.3407 -2.3407 -2.3138 -2.3138 2.3054 2.3054 2.3696 2.3696 2.5356 2.5356 7.3376 7.3376 7.8183 7.8183 9.3338 9.3338 k = 0.0192 0.0272 0.6124 ( 4834 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4779 -36.4779 -36.4776 -36.4776 -22.6802 -22.6802 -22.5875 -22.5875 -22.5733 -22.5733 -21.7293 -21.7293 -21.5860 -21.5860 -21.4886 -21.4886 -6.3486 -6.3486 -5.8906 -5.8906 -5.6995 -5.6995 -5.6154 -5.6154 -5.4607 -5.4607 -4.3473 -4.3473 -3.7924 -3.7924 -3.6998 -3.6998 -3.4113 -3.4113 -3.3757 -3.3757 -3.0528 -3.0528 -2.9917 -2.9917 -2.9207 -2.9207 -2.9005 -2.9005 -2.5490 -2.5490 -2.4103 -2.4103 -2.3400 -2.3400 -2.3125 -2.3125 2.3056 2.3056 2.3702 2.3702 2.5370 2.5370 7.3286 7.3286 7.8183 7.8183 9.3290 9.3290 k = 0.0096 0.0136 0.6124 ( 4846 PWs) bands (ev): -62.8999 -62.8999 -38.8835 -38.8835 -36.4779 -36.4779 -36.4776 -36.4776 -22.6812 -22.6812 -22.5875 -22.5875 -22.5733 -22.5733 -21.7292 -21.7292 -21.5860 -21.5860 -21.4875 -21.4875 -6.3529 -6.3529 -5.8907 -5.8907 -5.6997 -5.6997 -5.6154 -5.6154 -5.4595 -5.4595 -4.3481 -4.3481 -3.7927 -3.7927 -3.7002 -3.7002 -3.4107 -3.4107 -3.3775 -3.3775 -3.0535 -3.0535 -2.9913 -2.9913 -2.9207 -2.9207 -2.9006 -2.9006 -2.5422 -2.5422 -2.4104 -2.4104 -2.3395 -2.3395 -2.3117 -2.3117 2.3057 2.3057 2.3705 2.3705 2.5379 2.5379 7.3232 7.3232 7.8182 7.8182 9.3262 9.3262 k = 0.0000 0.0000 0.6124 ( 4842 PWs) bands (ev): -62.8998 -62.8998 -38.8835 -38.8835 -36.4779 -36.4779 -36.4776 -36.4776 -22.6815 -22.6815 -22.5875 -22.5875 -22.5733 -22.5733 -21.7291 -21.7291 -21.5860 -21.5860 -21.4872 -21.4872 -6.3543 -6.3543 -5.8907 -5.8907 -5.6998 -5.6998 -5.6153 -5.6153 -5.4590 -5.4590 -4.3484 -4.3484 -3.7928 -3.7928 -3.7003 -3.7003 -3.4104 -3.4104 -3.3781 -3.3781 -3.0537 -3.0537 -2.9912 -2.9912 -2.9207 -2.9207 -2.9006 -2.9006 -2.5399 -2.5399 -2.4104 -2.4104 -2.3394 -2.3394 -2.3114 -2.3114 2.3058 2.3058 2.3707 2.3707 2.5382 2.5382 7.3214 7.3214 7.8182 7.8182 9.3252 9.3252 Writing output data file MoF6.save init_run : 0.16s CPU 0.33s WALL ( 1 calls) electrons : 134.25s CPU 136.43s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.00s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 134.25s CPU 136.42s 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 0.00s WALL ( 1 calls) newd : 0.03s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.04s WALL ( 243 calls) cegterg : 123.46s CPU 124.92s WALL ( 302 calls) Called by sum_band: Called by *egterg: h_psi : 75.96s CPU 76.88s WALL ( 4797 calls) s_psi : 2.62s CPU 2.69s WALL ( 4797 calls) g_psi : 0.17s CPU 0.20s WALL ( 4252 calls) cdiaghg : 38.49s CPU 38.95s WALL ( 4495 calls) cegterg:over : 5.76s CPU 5.71s WALL ( 4252 calls) cegterg:upda : 4.45s CPU 4.58s WALL ( 4252 calls) cegterg:last : 2.94s CPU 2.98s WALL ( 788 calls) cdiaghg:chol : 2.13s CPU 2.21s WALL ( 4495 calls) cdiaghg:inve : 1.66s CPU 1.56s WALL ( 4495 calls) cdiaghg:para : 2.50s CPU 2.54s WALL ( 8990 calls) Called by h_psi: h_psi:vloc : 68.82s CPU 69.80s WALL ( 4797 calls) h_psi:vnl : 6.82s CPU 6.82s WALL ( 4797 calls) add_vuspsi : 3.24s CPU 3.14s WALL ( 4797 calls) General routines calbec : 3.55s CPU 3.67s WALL ( 4797 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 64.29s CPU 65.60s WALL ( 605820 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.17s CPU 0.23s WALL ( 486 calls) Parallel routines fft_scatter : 21.42s CPU 21.83s WALL ( 605843 calls) PWSCF : 2m30.62s CPU 2m45.95s WALL This run was terminated on: 18: 6:39 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=