Program PWSCF v.5.1.1 starts on 19Oct2015 at 11:49:29 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./NaGeAu.save/ file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 80 50 14 2498 1248 187 Max 81 51 15 2501 1265 188 Sum 3851 2425 685 119941 60215 8999 bravais-lattice index = 14 lattice parameter (alat) = 10.7174 a.u. unit-cell volume = 813.3107 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.717374 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.696032 celldm(5)= -0.185618 celldm(6)= -0.118350 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.118350 0.992972 0.000000 ) a(3) = ( -0.185618 -0.723081 0.665356 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.119188 0.408504 ) b(2) = ( 0.000000 1.007078 1.094450 ) b(3) = ( 0.000000 0.000000 1.502954 ) PseudoPot. # 1 for Ge read from file: /home/autes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 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 Na read from file: /home/autes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 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. # 3 for Au read from file: /home/autes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) Na 9.00 22.98980 Na( 1.00) Au 11.00 196.96660 Au( 1.00) No symmetry 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 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 354 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 2) = ( -0.0070040 0.0062188 0.0153311), wk = 0.0028249 k( 3) = ( -0.0140080 0.0124376 0.0306622), wk = 0.0028249 k( 4) = ( -0.0210121 0.0186564 0.0459933), wk = 0.0028249 k( 5) = ( -0.0280161 0.0248752 0.0613244), wk = 0.0028249 k( 6) = ( -0.0350201 0.0310940 0.0766555), wk = 0.0028249 k( 7) = ( -0.0420241 0.0373128 0.0919866), wk = 0.0028249 k( 8) = ( -0.0490281 0.0435316 0.1073177), wk = 0.0028249 k( 9) = ( -0.0560322 0.0497504 0.1226488), wk = 0.0028249 k( 10) = ( -0.0630362 0.0559692 0.1379799), wk = 0.0028249 k( 11) = ( -0.0700402 0.0621880 0.1533110), wk = 0.0028249 k( 12) = ( -0.0770442 0.0684068 0.1686421), wk = 0.0028249 k( 13) = ( -0.0840483 0.0746256 0.1839732), wk = 0.0028249 k( 14) = ( -0.0910523 0.0808444 0.1993043), wk = 0.0028249 k( 15) = ( -0.0980563 0.0870632 0.2146354), wk = 0.0028249 k( 16) = ( -0.1050603 0.0932820 0.2299665), wk = 0.0028249 k( 17) = ( -0.1120643 0.0995008 0.2452977), wk = 0.0028249 k( 18) = ( -0.1190684 0.1057196 0.2606288), wk = 0.0028249 k( 19) = ( -0.1260724 0.1119384 0.2759599), wk = 0.0028249 k( 20) = ( -0.1330764 0.1181572 0.2912910), wk = 0.0028249 k( 21) = ( -0.1400804 0.1243760 0.3066221), wk = 0.0028249 k( 22) = ( -0.1470845 0.1305948 0.3219532), wk = 0.0028249 k( 23) = ( -0.1540885 0.1368136 0.3372843), wk = 0.0028249 k( 24) = ( -0.1610925 0.1430324 0.3526154), wk = 0.0028249 k( 25) = ( -0.1680965 0.1492512 0.3679465), wk = 0.0028249 k( 26) = ( -0.1751005 0.1554700 0.3832776), wk = 0.0028249 k( 27) = ( -0.1821046 0.1616888 0.3986087), wk = 0.0028249 k( 28) = ( -0.1891086 0.1679076 0.4139398), wk = 0.0028249 k( 29) = ( -0.1961126 0.1741264 0.4292709), wk = 0.0028249 k( 30) = ( -0.2031166 0.1803452 0.4446020), wk = 0.0028249 k( 31) = ( -0.2101206 0.1865640 0.4599331), wk = 0.0028249 k( 32) = ( -0.2171247 0.1927828 0.4752642), wk = 0.0028249 k( 33) = ( -0.2241287 0.1990016 0.4905953), wk = 0.0028249 k( 34) = ( -0.2311327 0.2052204 0.5059264), wk = 0.0028249 k( 35) = ( -0.2381367 0.2114392 0.5212575), wk = 0.0028249 k( 36) = ( -0.2451408 0.2176580 0.5365886), wk = 0.0028249 k( 37) = ( -0.2521448 0.2238768 0.5519197), wk = 0.0028249 k( 38) = ( -0.2591488 0.2300956 0.5672508), wk = 0.0028249 k( 39) = ( -0.2661528 0.2363144 0.5825819), wk = 0.0028249 k( 40) = ( -0.2731568 0.2425332 0.5979130), wk = 0.0028249 k( 41) = ( -0.2801609 0.2487521 0.6132442), wk = 0.0028249 k( 42) = ( -0.2871649 0.2549709 0.6285753), wk = 0.0028249 k( 43) = ( -0.2941689 0.2611897 0.6439064), wk = 0.0028249 k( 44) = ( -0.3011729 0.2674085 0.6592375), wk = 0.0028249 k( 45) = ( -0.3081770 0.2736273 0.6745686), wk = 0.0028249 k( 46) = ( -0.3151810 0.2798461 0.6898997), wk = 0.0028249 k( 47) = ( -0.3221850 0.2860649 0.7052308), wk = 0.0028249 k( 48) = ( -0.3291890 0.2922837 0.7205619), wk = 0.0028249 k( 49) = ( -0.3361930 0.2985025 0.7358930), wk = 0.0028249 k( 50) = ( -0.3361930 0.2985025 0.7358930), wk = 0.0028249 k( 51) = ( -0.3266558 0.2900344 0.7436850), wk = 0.0028249 k( 52) = ( -0.3171185 0.2815664 0.7514770), wk = 0.0028249 k( 53) = ( -0.3171185 0.2815664 0.7514770), wk = 0.0028249 k( 54) = ( -0.3039053 0.2698345 0.7514770), wk = 0.0028249 k( 55) = ( -0.2906920 0.2581025 0.7514770), wk = 0.0028249 k( 56) = ( -0.2774787 0.2463706 0.7514770), wk = 0.0028249 k( 57) = ( -0.2642654 0.2346387 0.7514770), wk = 0.0028249 k( 58) = ( -0.2510522 0.2229067 0.7514770), wk = 0.0028249 k( 59) = ( -0.2378389 0.2111748 0.7514770), wk = 0.0028249 k( 60) = ( -0.2246256 0.1994429 0.7514770), wk = 0.0028249 k( 61) = ( -0.2114123 0.1877109 0.7514770), wk = 0.0028249 k( 62) = ( -0.1981991 0.1759790 0.7514770), wk = 0.0028249 k( 63) = ( -0.1849858 0.1642471 0.7514770), wk = 0.0028249 k( 64) = ( -0.1717725 0.1525151 0.7514770), wk = 0.0028249 k( 65) = ( -0.1585593 0.1407832 0.7514770), wk = 0.0028249 k( 66) = ( -0.1453460 0.1290513 0.7514770), wk = 0.0028249 k( 67) = ( -0.1321327 0.1173193 0.7514770), wk = 0.0028249 k( 68) = ( -0.1189194 0.1055874 0.7514770), wk = 0.0028249 k( 69) = ( -0.1057062 0.0938555 0.7514770), wk = 0.0028249 k( 70) = ( -0.0924929 0.0821235 0.7514770), wk = 0.0028249 k( 71) = ( -0.0792796 0.0703916 0.7514770), wk = 0.0028249 k( 72) = ( -0.0660664 0.0586597 0.7514770), wk = 0.0028249 k( 73) = ( -0.0528531 0.0469277 0.7514770), wk = 0.0028249 k( 74) = ( -0.0396398 0.0351958 0.7514770), wk = 0.0028249 k( 75) = ( -0.0264265 0.0234639 0.7514770), wk = 0.0028249 k( 76) = ( -0.0132133 0.0117319 0.7514770), wk = 0.0028249 k( 77) = ( 0.0000000 0.0000000 0.7514770), wk = 0.0028249 k( 78) = ( 0.0000000 0.0000000 0.7514770), wk = 0.0028249 k( 79) = ( 0.0119048 0.0134079 0.7514770), wk = 0.0028249 k( 80) = ( 0.0238095 0.0268158 0.7514770), wk = 0.0028249 k( 81) = ( 0.0357143 0.0402238 0.7514770), wk = 0.0028249 k( 82) = ( 0.0476191 0.0536317 0.7514770), wk = 0.0028249 k( 83) = ( 0.0595238 0.0670396 0.7514770), wk = 0.0028249 k( 84) = ( 0.0714286 0.0804475 0.7514770), wk = 0.0028249 k( 85) = ( 0.0833333 0.0938555 0.7514770), wk = 0.0028249 k( 86) = ( 0.0952381 0.1072634 0.7514770), wk = 0.0028249 k( 87) = ( 0.1071429 0.1206713 0.7514770), wk = 0.0028249 k( 88) = ( 0.1190476 0.1340792 0.7514770), wk = 0.0028249 k( 89) = ( 0.1309524 0.1474872 0.7514770), wk = 0.0028249 k( 90) = ( 0.1428571 0.1608951 0.7514770), wk = 0.0028249 k( 91) = ( 0.1547619 0.1743030 0.7514770), wk = 0.0028249 k( 92) = ( 0.1666667 0.1877109 0.7514770), wk = 0.0028249 k( 93) = ( 0.1785714 0.2011189 0.7514770), wk = 0.0028249 k( 94) = ( 0.1904762 0.2145268 0.7514770), wk = 0.0028249 k( 95) = ( 0.2023810 0.2279347 0.7514770), wk = 0.0028249 k( 96) = ( 0.2142857 0.2413426 0.7514770), wk = 0.0028249 k( 97) = ( 0.2261905 0.2547505 0.7514770), wk = 0.0028249 k( 98) = ( 0.2380952 0.2681585 0.7514770), wk = 0.0028249 k( 99) = ( 0.2500000 0.2815664 0.7514770), wk = 0.0028249 k( 100) = ( 0.2500000 0.2815664 0.7514770), wk = 0.0028249 k( 101) = ( 0.2386364 0.2916561 0.7421928), wk = 0.0028249 k( 102) = ( 0.2272727 0.3017457 0.7329087), wk = 0.0028249 k( 103) = ( 0.2159091 0.3118354 0.7236245), wk = 0.0028249 k( 104) = ( 0.2045454 0.3219250 0.7143403), wk = 0.0028249 k( 105) = ( 0.1931818 0.3320147 0.7050561), wk = 0.0028249 k( 106) = ( 0.1818182 0.3421044 0.6957719), wk = 0.0028249 k( 107) = ( 0.1704546 0.3521940 0.6864878), wk = 0.0028249 k( 108) = ( 0.1590909 0.3622837 0.6772036), wk = 0.0028249 k( 109) = ( 0.1477273 0.3723733 0.6679194), wk = 0.0028249 k( 110) = ( 0.1363636 0.3824630 0.6586352), wk = 0.0028249 k( 111) = ( 0.1250000 0.3925526 0.6493510), wk = 0.0028249 k( 112) = ( 0.1136364 0.4026423 0.6400668), wk = 0.0028249 k( 113) = ( 0.1022727 0.4127320 0.6307827), wk = 0.0028249 k( 114) = ( 0.0909091 0.4228216 0.6214985), wk = 0.0028249 k( 115) = ( 0.0795455 0.4329113 0.6122143), wk = 0.0028249 k( 116) = ( 0.0681818 0.4430009 0.6029301), wk = 0.0028249 k( 117) = ( 0.0568182 0.4530906 0.5936459), wk = 0.0028249 k( 118) = ( 0.0454546 0.4631803 0.5843618), wk = 0.0028249 k( 119) = ( 0.0340909 0.4732699 0.5750776), wk = 0.0028249 k( 120) = ( 0.0227273 0.4833596 0.5657934), wk = 0.0028249 k( 121) = ( 0.0113636 0.4934492 0.5565092), wk = 0.0028249 k( 122) = ( 0.0000000 0.5035389 0.5472250), wk = 0.0028249 k( 123) = ( 0.0000000 0.5035389 0.5472250), wk = 0.0028249 k( 124) = ( 0.0134477 0.5117404 0.5396783), wk = 0.0028249 k( 125) = ( 0.0268954 0.5199418 0.5321316), wk = 0.0028249 k( 126) = ( 0.0403432 0.5281433 0.5245849), wk = 0.0028249 k( 127) = ( 0.0537909 0.5363447 0.5170382), wk = 0.0028249 k( 128) = ( 0.0672386 0.5445462 0.5094914), wk = 0.0028249 k( 129) = ( 0.0806863 0.5527477 0.5019447), wk = 0.0028249 k( 130) = ( 0.0941340 0.5609491 0.4943980), wk = 0.0028249 k( 131) = ( 0.1075818 0.5691506 0.4868513), wk = 0.0028249 k( 132) = ( 0.1210295 0.5773520 0.4793046), wk = 0.0028249 k( 133) = ( 0.1344772 0.5855535 0.4717578), wk = 0.0028249 k( 134) = ( 0.1479249 0.5937549 0.4642111), wk = 0.0028249 k( 135) = ( 0.1613727 0.6019564 0.4566644), wk = 0.0028249 k( 136) = ( 0.1748204 0.6101579 0.4491177), wk = 0.0028249 k( 137) = ( 0.1882681 0.6183593 0.4415710), wk = 0.0028249 k( 138) = ( 0.2017158 0.6265608 0.4340243), wk = 0.0028249 k( 139) = ( 0.2151635 0.6347622 0.4264776), wk = 0.0028249 k( 140) = ( 0.2286113 0.6429637 0.4189308), wk = 0.0028249 k( 141) = ( 0.2420590 0.6511651 0.4113841), wk = 0.0028249 k( 142) = ( 0.2555067 0.6593666 0.4038374), wk = 0.0028249 k( 143) = ( 0.2689544 0.6675681 0.3962907), wk = 0.0028249 k( 144) = ( 0.2824022 0.6757695 0.3887440), wk = 0.0028249 k( 145) = ( 0.2958499 0.6839710 0.3811972), wk = 0.0028249 k( 146) = ( 0.3092976 0.6921724 0.3736505), wk = 0.0028249 k( 147) = ( 0.3227453 0.7003739 0.3661038), wk = 0.0028249 k( 148) = ( 0.3361930 0.7085754 0.3585571), wk = 0.0028249 k( 149) = ( 0.3361930 0.7085754 0.3585571), wk = 0.0028249 k( 150) = ( 0.3430183 0.7025152 0.3436172), wk = 0.0028249 k( 151) = ( 0.3498436 0.6964551 0.3286773), wk = 0.0028249 k( 152) = ( 0.3566689 0.6903950 0.3137374), wk = 0.0028249 k( 153) = ( 0.3634942 0.6843349 0.2987976), wk = 0.0028249 k( 154) = ( 0.3703195 0.6782748 0.2838577), wk = 0.0028249 k( 155) = ( 0.3771448 0.6722147 0.2689178), wk = 0.0028249 k( 156) = ( 0.3839701 0.6661546 0.2539779), wk = 0.0028249 k( 157) = ( 0.3907954 0.6600945 0.2390381), wk = 0.0028249 k( 158) = ( 0.3976207 0.6540344 0.2240982), wk = 0.0028249 k( 159) = ( 0.4044459 0.6479743 0.2091583), wk = 0.0028249 k( 160) = ( 0.4112712 0.6419142 0.1942184), wk = 0.0028249 k( 161) = ( 0.4180965 0.6358541 0.1792785), wk = 0.0028249 k( 162) = ( 0.4249218 0.6297940 0.1643387), wk = 0.0028249 k( 163) = ( 0.4317471 0.6237339 0.1493988), wk = 0.0028249 k( 164) = ( 0.4385724 0.6176737 0.1344589), wk = 0.0028249 k( 165) = ( 0.4453977 0.6116136 0.1195190), wk = 0.0028249 k( 166) = ( 0.4522230 0.6055535 0.1045791), wk = 0.0028249 k( 167) = ( 0.4590483 0.5994934 0.0896393), wk = 0.0028249 k( 168) = ( 0.4658736 0.5934333 0.0746994), wk = 0.0028249 k( 169) = ( 0.4726988 0.5873732 0.0597595), wk = 0.0028249 k( 170) = ( 0.4795241 0.5813131 0.0448196), wk = 0.0028249 k( 171) = ( 0.4863494 0.5752530 0.0298798), wk = 0.0028249 k( 172) = ( 0.4931747 0.5691929 0.0149399), wk = 0.0028249 k( 173) = ( 0.5000000 0.5631328 -0.0000000), wk = 0.0028249 k( 174) = ( 0.5000000 0.5631328 -0.0000000), wk = 0.0028249 k( 175) = ( 0.4880952 0.5497249 -0.0000000), wk = 0.0028249 k( 176) = ( 0.4761905 0.5363169 -0.0000000), wk = 0.0028249 k( 177) = ( 0.4642857 0.5229090 -0.0000000), wk = 0.0028249 k( 178) = ( 0.4523810 0.5095011 -0.0000000), wk = 0.0028249 k( 179) = ( 0.4404762 0.4960932 -0.0000000), wk = 0.0028249 k( 180) = ( 0.4285714 0.4826852 -0.0000000), wk = 0.0028249 k( 181) = ( 0.4166667 0.4692773 -0.0000000), wk = 0.0028249 k( 182) = ( 0.4047619 0.4558694 -0.0000000), wk = 0.0028249 k( 183) = ( 0.3928571 0.4424615 -0.0000000), wk = 0.0028249 k( 184) = ( 0.3809524 0.4290535 -0.0000000), wk = 0.0028249 k( 185) = ( 0.3690476 0.4156456 -0.0000000), wk = 0.0028249 k( 186) = ( 0.3571429 0.4022377 -0.0000000), wk = 0.0028249 k( 187) = ( 0.3452381 0.3888298 -0.0000000), wk = 0.0028249 k( 188) = ( 0.3333333 0.3754218 -0.0000000), wk = 0.0028249 k( 189) = ( 0.3214286 0.3620139 -0.0000000), wk = 0.0028249 k( 190) = ( 0.3095238 0.3486060 -0.0000000), wk = 0.0028249 k( 191) = ( 0.2976190 0.3351981 -0.0000000), wk = 0.0028249 k( 192) = ( 0.2857143 0.3217902 -0.0000000), wk = 0.0028249 k( 193) = ( 0.2738095 0.3083822 -0.0000000), wk = 0.0028249 k( 194) = ( 0.2619048 0.2949743 -0.0000000), wk = 0.0028249 k( 195) = ( 0.2500000 0.2815664 -0.0000000), wk = 0.0028249 k( 196) = ( 0.2380952 0.2681585 -0.0000000), wk = 0.0028249 k( 197) = ( 0.2261905 0.2547505 -0.0000000), wk = 0.0028249 k( 198) = ( 0.2142857 0.2413426 -0.0000000), wk = 0.0028249 k( 199) = ( 0.2023810 0.2279347 -0.0000000), wk = 0.0028249 k( 200) = ( 0.1904762 0.2145268 -0.0000000), wk = 0.0028249 k( 201) = ( 0.1785714 0.2011189 -0.0000000), wk = 0.0028249 k( 202) = ( 0.1666667 0.1877109 -0.0000000), wk = 0.0028249 k( 203) = ( 0.1547619 0.1743030 -0.0000000), wk = 0.0028249 k( 204) = ( 0.1428571 0.1608951 -0.0000000), wk = 0.0028249 k( 205) = ( 0.1309524 0.1474872 -0.0000000), wk = 0.0028249 k( 206) = ( 0.1190476 0.1340792 -0.0000000), wk = 0.0028249 k( 207) = ( 0.1071429 0.1206713 -0.0000000), wk = 0.0028249 k( 208) = ( 0.0952381 0.1072634 -0.0000000), wk = 0.0028249 k( 209) = ( 0.0833333 0.0938555 -0.0000000), wk = 0.0028249 k( 210) = ( 0.0714286 0.0804475 -0.0000000), wk = 0.0028249 k( 211) = ( 0.0595238 0.0670396 -0.0000000), wk = 0.0028249 k( 212) = ( 0.0476191 0.0536317 -0.0000000), wk = 0.0028249 k( 213) = ( 0.0357143 0.0402238 -0.0000000), wk = 0.0028249 k( 214) = ( 0.0238095 0.0268158 -0.0000000), wk = 0.0028249 k( 215) = ( 0.0119048 0.0134079 -0.0000000), wk = 0.0028249 k( 216) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 217) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 218) = ( 0.0114506 -0.0101669 0.0093552), wk = 0.0028249 k( 219) = ( 0.0229012 -0.0203338 0.0187105), wk = 0.0028249 k( 220) = ( 0.0343518 -0.0305006 0.0280657), wk = 0.0028249 k( 221) = ( 0.0458024 -0.0406675 0.0374209), wk = 0.0028249 k( 222) = ( 0.0572530 -0.0508344 0.0467762), wk = 0.0028249 k( 223) = ( 0.0687036 -0.0610013 0.0561314), wk = 0.0028249 k( 224) = ( 0.0801542 -0.0711682 0.0654867), wk = 0.0028249 k( 225) = ( 0.0916049 -0.0813350 0.0748419), wk = 0.0028249 k( 226) = ( 0.1030555 -0.0915019 0.0841971), wk = 0.0028249 k( 227) = ( 0.1145061 -0.1016688 0.0935524), wk = 0.0028249 k( 228) = ( 0.1259567 -0.1118357 0.1029076), wk = 0.0028249 k( 229) = ( 0.1374073 -0.1220026 0.1122628), wk = 0.0028249 k( 230) = ( 0.1488579 -0.1321694 0.1216181), wk = 0.0028249 k( 231) = ( 0.1603085 -0.1423363 0.1309733), wk = 0.0028249 k( 232) = ( 0.1717591 -0.1525032 0.1403285), wk = 0.0028249 k( 233) = ( 0.1832097 -0.1626701 0.1496838), wk = 0.0028249 k( 234) = ( 0.1946603 -0.1728370 0.1590390), wk = 0.0028249 k( 235) = ( 0.2061109 -0.1830038 0.1683943), wk = 0.0028249 k( 236) = ( 0.2175615 -0.1931707 0.1777495), wk = 0.0028249 k( 237) = ( 0.2290121 -0.2033376 0.1871047), wk = 0.0028249 k( 238) = ( 0.2404627 -0.2135045 0.1964600), wk = 0.0028249 k( 239) = ( 0.2519133 -0.2236714 0.2058152), wk = 0.0028249 k( 240) = ( 0.2633640 -0.2338382 0.2151704), wk = 0.0028249 k( 241) = ( 0.2748146 -0.2440051 0.2245257), wk = 0.0028249 k( 242) = ( 0.2862652 -0.2541720 0.2338809), wk = 0.0028249 k( 243) = ( 0.2977158 -0.2643389 0.2432362), wk = 0.0028249 k( 244) = ( 0.3091664 -0.2745058 0.2525914), wk = 0.0028249 k( 245) = ( 0.3206170 -0.2846726 0.2619466), wk = 0.0028249 k( 246) = ( 0.3320676 -0.2948395 0.2713019), wk = 0.0028249 k( 247) = ( 0.3435182 -0.3050064 0.2806571), wk = 0.0028249 k( 248) = ( 0.3549688 -0.3151733 0.2900123), wk = 0.0028249 k( 249) = ( 0.3664194 -0.3253402 0.2993676), wk = 0.0028249 k( 250) = ( 0.3778700 -0.3355070 0.3087228), wk = 0.0028249 k( 251) = ( 0.3893206 -0.3456739 0.3180780), wk = 0.0028249 k( 252) = ( 0.4007712 -0.3558408 0.3274333), wk = 0.0028249 k( 253) = ( 0.4122219 -0.3660077 0.3367885), wk = 0.0028249 k( 254) = ( 0.4236724 -0.3761746 0.3461437), wk = 0.0028249 k( 255) = ( 0.4351231 -0.3863414 0.3554990), wk = 0.0028249 k( 256) = ( 0.4465737 -0.3965083 0.3648542), wk = 0.0028249 k( 257) = ( 0.4580243 -0.4066752 0.3742095), wk = 0.0028249 k( 258) = ( 0.4694749 -0.4168421 0.3835647), wk = 0.0028249 k( 259) = ( 0.4809255 -0.4270090 0.3929199), wk = 0.0028249 k( 260) = ( 0.4809255 -0.4270090 0.3929199), wk = 0.0028249 k( 261) = ( 0.4815832 -0.4102296 0.3864141), wk = 0.0028249 k( 262) = ( 0.4822410 -0.3934501 0.3799084), wk = 0.0028249 k( 263) = ( 0.4828987 -0.3766707 0.3734026), wk = 0.0028249 k( 264) = ( 0.4835565 -0.3598913 0.3668968), wk = 0.0028249 k( 265) = ( 0.4842142 -0.3431119 0.3603910), wk = 0.0028249 k( 266) = ( 0.4848719 -0.3263325 0.3538852), wk = 0.0028249 k( 267) = ( 0.4855297 -0.3095531 0.3473794), wk = 0.0028249 k( 268) = ( 0.4861874 -0.2927737 0.3408736), wk = 0.0028249 k( 269) = ( 0.4868452 -0.2759943 0.3343678), wk = 0.0028249 k( 270) = ( 0.4875029 -0.2592149 0.3278620), wk = 0.0028249 k( 271) = ( 0.4881606 -0.2424355 0.3213562), wk = 0.0028249 k( 272) = ( 0.4888184 -0.2256561 0.3148504), wk = 0.0028249 k( 273) = ( 0.4894761 -0.2088767 0.3083446), wk = 0.0028249 k( 274) = ( 0.4901339 -0.1920972 0.3018389), wk = 0.0028249 k( 275) = ( 0.4907916 -0.1753178 0.2953331), wk = 0.0028249 k( 276) = ( 0.4914494 -0.1585384 0.2888273), wk = 0.0028249 k( 277) = ( 0.4921071 -0.1417590 0.2823215), wk = 0.0028249 k( 278) = ( 0.4927648 -0.1249796 0.2758157), wk = 0.0028249 k( 279) = ( 0.4934226 -0.1082002 0.2693099), wk = 0.0028249 k( 280) = ( 0.4940803 -0.0914208 0.2628041), wk = 0.0028249 k( 281) = ( 0.4947381 -0.0746414 0.2562983), wk = 0.0028249 k( 282) = ( 0.4953958 -0.0578620 0.2497925), wk = 0.0028249 k( 283) = ( 0.4960536 -0.0410826 0.2432867), wk = 0.0028249 k( 284) = ( 0.4967113 -0.0243032 0.2367809), wk = 0.0028249 k( 285) = ( 0.4973690 -0.0075238 0.2302751), wk = 0.0028249 k( 286) = ( 0.4980268 0.0092557 0.2237694), wk = 0.0028249 k( 287) = ( 0.4986845 0.0260351 0.2172636), wk = 0.0028249 k( 288) = ( 0.4993423 0.0428145 0.2107578), wk = 0.0028249 k( 289) = ( 0.5000000 0.0595939 0.2042520), wk = 0.0028249 k( 290) = ( 0.5000000 0.0595939 0.2042520), wk = 0.0028249 k( 291) = ( 0.4930556 0.0657598 0.2194527), wk = 0.0028249 k( 292) = ( 0.4861111 0.0719257 0.2346534), wk = 0.0028249 k( 293) = ( 0.4791667 0.0780916 0.2498541), wk = 0.0028249 k( 294) = ( 0.4722222 0.0842575 0.2650548), wk = 0.0028249 k( 295) = ( 0.4652778 0.0904234 0.2802555), wk = 0.0028249 k( 296) = ( 0.4583333 0.0965893 0.2954562), wk = 0.0028249 k( 297) = ( 0.4513889 0.1027552 0.3106568), wk = 0.0028249 k( 298) = ( 0.4444444 0.1089211 0.3258576), wk = 0.0028249 k( 299) = ( 0.4375000 0.1150870 0.3410582), wk = 0.0028249 k( 300) = ( 0.4305556 0.1212529 0.3562589), wk = 0.0028249 k( 301) = ( 0.4236111 0.1274188 0.3714596), wk = 0.0028249 k( 302) = ( 0.4166667 0.1335847 0.3866603), wk = 0.0028249 k( 303) = ( 0.4097222 0.1397506 0.4018610), wk = 0.0028249 k( 304) = ( 0.4027778 0.1459165 0.4170617), wk = 0.0028249 k( 305) = ( 0.3958333 0.1520824 0.4322624), wk = 0.0028249 k( 306) = ( 0.3888889 0.1582483 0.4474631), wk = 0.0028249 k( 307) = ( 0.3819444 0.1644142 0.4626638), wk = 0.0028249 k( 308) = ( 0.3750000 0.1705801 0.4778645), wk = 0.0028249 k( 309) = ( 0.3680556 0.1767460 0.4930652), wk = 0.0028249 k( 310) = ( 0.3611111 0.1829119 0.5082659), wk = 0.0028249 k( 311) = ( 0.3541667 0.1890778 0.5234666), wk = 0.0028249 k( 312) = ( 0.3472222 0.1952437 0.5386673), wk = 0.0028249 k( 313) = ( 0.3402778 0.2014096 0.5538680), wk = 0.0028249 k( 314) = ( 0.3333333 0.2075756 0.5690687), wk = 0.0028249 k( 315) = ( 0.3263889 0.2137415 0.5842694), wk = 0.0028249 k( 316) = ( 0.3194444 0.2199074 0.5994701), wk = 0.0028249 k( 317) = ( 0.3125000 0.2260733 0.6146708), wk = 0.0028249 k( 318) = ( 0.3055556 0.2322392 0.6298714), wk = 0.0028249 k( 319) = ( 0.2986111 0.2384051 0.6450722), wk = 0.0028249 k( 320) = ( 0.2916667 0.2445710 0.6602728), wk = 0.0028249 k( 321) = ( 0.2847222 0.2507369 0.6754735), wk = 0.0028249 k( 322) = ( 0.2777778 0.2569028 0.6906742), wk = 0.0028249 k( 323) = ( 0.2708333 0.2630687 0.7058749), wk = 0.0028249 k( 324) = ( 0.2638889 0.2692346 0.7210756), wk = 0.0028249 k( 325) = ( 0.2569444 0.2754005 0.7362763), wk = 0.0028249 k( 326) = ( 0.2500000 0.2815664 0.7514770), wk = 0.0028249 k( 327) = ( 0.3171185 -0.2815664 0.7514770), wk = 0.0028249 k( 328) = ( 0.3239438 -0.2876265 0.7365371), wk = 0.0028249 k( 329) = ( 0.3307691 -0.2936866 0.7215973), wk = 0.0028249 k( 330) = ( 0.3375944 -0.2997467 0.7066574), wk = 0.0028249 k( 331) = ( 0.3444197 -0.3058068 0.6917175), wk = 0.0028249 k( 332) = ( 0.3512450 -0.3118669 0.6767776), wk = 0.0028249 k( 333) = ( 0.3580703 -0.3179270 0.6618377), wk = 0.0028249 k( 334) = ( 0.3648956 -0.3239871 0.6468979), wk = 0.0028249 k( 335) = ( 0.3717208 -0.3300472 0.6319580), wk = 0.0028249 k( 336) = ( 0.3785461 -0.3361074 0.6170181), wk = 0.0028249 k( 337) = ( 0.3853714 -0.3421675 0.6020782), wk = 0.0028249 k( 338) = ( 0.3921967 -0.3482276 0.5871384), wk = 0.0028249 k( 339) = ( 0.3990220 -0.3542877 0.5721985), wk = 0.0028249 k( 340) = ( 0.4058473 -0.3603478 0.5572586), wk = 0.0028249 k( 341) = ( 0.4126726 -0.3664079 0.5423187), wk = 0.0028249 k( 342) = ( 0.4194979 -0.3724680 0.5273788), wk = 0.0028249 k( 343) = ( 0.4263232 -0.3785281 0.5124390), wk = 0.0028249 k( 344) = ( 0.4331485 -0.3845882 0.4974991), wk = 0.0028249 k( 345) = ( 0.4399737 -0.3906483 0.4825592), wk = 0.0028249 k( 346) = ( 0.4467990 -0.3967084 0.4676193), wk = 0.0028249 k( 347) = ( 0.4536243 -0.4027685 0.4526794), wk = 0.0028249 k( 348) = ( 0.4604496 -0.4088286 0.4377396), wk = 0.0028249 k( 349) = ( 0.4672749 -0.4148888 0.4227997), wk = 0.0028249 k( 350) = ( 0.4741002 -0.4209489 0.4078598), wk = 0.0028249 k( 351) = ( 0.4809255 -0.4270090 0.3929199), wk = 0.0028249 k( 352) = ( 0.5190745 0.5461967 0.0155840), wk = 0.0028249 k( 353) = ( 0.5095373 0.5546647 0.0077920), wk = 0.0028249 k( 354) = ( 0.5000000 0.5631328 -0.0000000), wk = 0.0028249 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 2) = ( -0.0070040 0.0070040 0.0070040), wk = 0.0028249 k( 3) = ( -0.0140080 0.0140080 0.0140080), wk = 0.0028249 k( 4) = ( -0.0210121 0.0210121 0.0210121), wk = 0.0028249 k( 5) = ( -0.0280161 0.0280161 0.0280161), wk = 0.0028249 k( 6) = ( -0.0350201 0.0350201 0.0350201), wk = 0.0028249 k( 7) = ( -0.0420241 0.0420241 0.0420241), wk = 0.0028249 k( 8) = ( -0.0490281 0.0490281 0.0490281), wk = 0.0028249 k( 9) = ( -0.0560322 0.0560322 0.0560322), wk = 0.0028249 k( 10) = ( -0.0630362 0.0630362 0.0630362), wk = 0.0028249 k( 11) = ( -0.0700402 0.0700402 0.0700402), wk = 0.0028249 k( 12) = ( -0.0770442 0.0770442 0.0770442), wk = 0.0028249 k( 13) = ( -0.0840483 0.0840483 0.0840483), wk = 0.0028249 k( 14) = ( -0.0910523 0.0910523 0.0910523), wk = 0.0028249 k( 15) = ( -0.0980563 0.0980563 0.0980563), wk = 0.0028249 k( 16) = ( -0.1050603 0.1050603 0.1050603), wk = 0.0028249 k( 17) = ( -0.1120643 0.1120643 0.1120643), wk = 0.0028249 k( 18) = ( -0.1190684 0.1190684 0.1190684), wk = 0.0028249 k( 19) = ( -0.1260724 0.1260724 0.1260724), wk = 0.0028249 k( 20) = ( -0.1330764 0.1330764 0.1330764), wk = 0.0028249 k( 21) = ( -0.1400804 0.1400804 0.1400804), wk = 0.0028249 k( 22) = ( -0.1470845 0.1470844 0.1470845), wk = 0.0028249 k( 23) = ( -0.1540885 0.1540885 0.1540885), wk = 0.0028249 k( 24) = ( -0.1610925 0.1610925 0.1610925), wk = 0.0028249 k( 25) = ( -0.1680965 0.1680965 0.1680965), wk = 0.0028249 k( 26) = ( -0.1751005 0.1751005 0.1751005), wk = 0.0028249 k( 27) = ( -0.1821046 0.1821046 0.1821046), wk = 0.0028249 k( 28) = ( -0.1891086 0.1891086 0.1891086), wk = 0.0028249 k( 29) = ( -0.1961126 0.1961126 0.1961126), wk = 0.0028249 k( 30) = ( -0.2031166 0.2031166 0.2031166), wk = 0.0028249 k( 31) = ( -0.2101206 0.2101206 0.2101206), wk = 0.0028249 k( 32) = ( -0.2171247 0.2171247 0.2171247), wk = 0.0028249 k( 33) = ( -0.2241287 0.2241287 0.2241287), wk = 0.0028249 k( 34) = ( -0.2311327 0.2311327 0.2311327), wk = 0.0028249 k( 35) = ( -0.2381367 0.2381367 0.2381367), wk = 0.0028249 k( 36) = ( -0.2451408 0.2451408 0.2451408), wk = 0.0028249 k( 37) = ( -0.2521448 0.2521448 0.2521448), wk = 0.0028249 k( 38) = ( -0.2591488 0.2591488 0.2591488), wk = 0.0028249 k( 39) = ( -0.2661528 0.2661528 0.2661528), wk = 0.0028249 k( 40) = ( -0.2731568 0.2731568 0.2731568), wk = 0.0028249 k( 41) = ( -0.2801609 0.2801609 0.2801609), wk = 0.0028249 k( 42) = ( -0.2871649 0.2871649 0.2871649), wk = 0.0028249 k( 43) = ( -0.2941689 0.2941689 0.2941689), wk = 0.0028249 k( 44) = ( -0.3011729 0.3011729 0.3011729), wk = 0.0028249 k( 45) = ( -0.3081770 0.3081770 0.3081770), wk = 0.0028249 k( 46) = ( -0.3151810 0.3151810 0.3151810), wk = 0.0028249 k( 47) = ( -0.3221850 0.3221850 0.3221850), wk = 0.0028249 k( 48) = ( -0.3291890 0.3291890 0.3291890), wk = 0.0028249 k( 49) = ( -0.3361930 0.3361930 0.3361930), wk = 0.0028249 k( 50) = ( -0.3361930 0.3361930 0.3361930), wk = 0.0028249 k( 51) = ( -0.3266558 0.3266558 0.3457303), wk = 0.0028249 k( 52) = ( -0.3171185 0.3171185 0.3552675), wk = 0.0028249 k( 53) = ( -0.3171185 0.3171185 0.3552675), wk = 0.0028249 k( 54) = ( -0.3039053 0.3039053 0.3612981), wk = 0.0028249 k( 55) = ( -0.2906920 0.2906920 0.3673286), wk = 0.0028249 k( 56) = ( -0.2774787 0.2774787 0.3733591), wk = 0.0028249 k( 57) = ( -0.2642654 0.2642654 0.3793896), wk = 0.0028249 k( 58) = ( -0.2510522 0.2510522 0.3854201), wk = 0.0028249 k( 59) = ( -0.2378389 0.2378389 0.3914507), wk = 0.0028249 k( 60) = ( -0.2246256 0.2246256 0.3974812), wk = 0.0028249 k( 61) = ( -0.2114123 0.2114123 0.4035117), wk = 0.0028249 k( 62) = ( -0.1981991 0.1981991 0.4095422), wk = 0.0028249 k( 63) = ( -0.1849858 0.1849858 0.4155727), wk = 0.0028249 k( 64) = ( -0.1717725 0.1717725 0.4216033), wk = 0.0028249 k( 65) = ( -0.1585593 0.1585593 0.4276338), wk = 0.0028249 k( 66) = ( -0.1453460 0.1453460 0.4336643), wk = 0.0028249 k( 67) = ( -0.1321327 0.1321327 0.4396948), wk = 0.0028249 k( 68) = ( -0.1189194 0.1189195 0.4457253), wk = 0.0028249 k( 69) = ( -0.1057062 0.1057062 0.4517558), wk = 0.0028249 k( 70) = ( -0.0924929 0.0924929 0.4577864), wk = 0.0028249 k( 71) = ( -0.0792796 0.0792796 0.4638169), wk = 0.0028249 k( 72) = ( -0.0660664 0.0660664 0.4698474), wk = 0.0028249 k( 73) = ( -0.0528531 0.0528531 0.4758779), wk = 0.0028249 k( 74) = ( -0.0396398 0.0396398 0.4819084), wk = 0.0028249 k( 75) = ( -0.0264265 0.0264265 0.4879390), wk = 0.0028249 k( 76) = ( -0.0132133 0.0132133 0.4939695), wk = 0.0028249 k( 77) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028249 k( 78) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028249 k( 79) = ( 0.0119048 0.0119048 0.4880952), wk = 0.0028249 k( 80) = ( 0.0238095 0.0238095 0.4761905), wk = 0.0028249 k( 81) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0028249 k( 82) = ( 0.0476191 0.0476190 0.4523810), wk = 0.0028249 k( 83) = ( 0.0595238 0.0595238 0.4404762), wk = 0.0028249 k( 84) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0028249 k( 85) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0028249 k( 86) = ( 0.0952381 0.0952381 0.4047619), wk = 0.0028249 k( 87) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0028249 k( 88) = ( 0.1190476 0.1190476 0.3809524), wk = 0.0028249 k( 89) = ( 0.1309524 0.1309524 0.3690476), wk = 0.0028249 k( 90) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0028249 k( 91) = ( 0.1547619 0.1547619 0.3452381), wk = 0.0028249 k( 92) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0028249 k( 93) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0028249 k( 94) = ( 0.1904762 0.1904762 0.3095238), wk = 0.0028249 k( 95) = ( 0.2023810 0.2023810 0.2976190), wk = 0.0028249 k( 96) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0028249 k( 97) = ( 0.2261905 0.2261905 0.2738095), wk = 0.0028249 k( 98) = ( 0.2380952 0.2380952 0.2619048), wk = 0.0028249 k( 99) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028249 k( 100) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028249 k( 101) = ( 0.2386364 0.2613636 0.2386364), wk = 0.0028249 k( 102) = ( 0.2272727 0.2727273 0.2272727), wk = 0.0028249 k( 103) = ( 0.2159091 0.2840909 0.2159091), wk = 0.0028249 k( 104) = ( 0.2045454 0.2954545 0.2045454), wk = 0.0028249 k( 105) = ( 0.1931818 0.3068182 0.1931818), wk = 0.0028249 k( 106) = ( 0.1818182 0.3181818 0.1818182), wk = 0.0028249 k( 107) = ( 0.1704546 0.3295454 0.1704545), wk = 0.0028249 k( 108) = ( 0.1590909 0.3409091 0.1590909), wk = 0.0028249 k( 109) = ( 0.1477273 0.3522727 0.1477273), wk = 0.0028249 k( 110) = ( 0.1363636 0.3636364 0.1363636), wk = 0.0028249 k( 111) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0028249 k( 112) = ( 0.1136364 0.3863636 0.1136364), wk = 0.0028249 k( 113) = ( 0.1022727 0.3977273 0.1022727), wk = 0.0028249 k( 114) = ( 0.0909091 0.4090909 0.0909091), wk = 0.0028249 k( 115) = ( 0.0795455 0.4204546 0.0795454), wk = 0.0028249 k( 116) = ( 0.0681818 0.4318182 0.0681818), wk = 0.0028249 k( 117) = ( 0.0568182 0.4431818 0.0568182), wk = 0.0028249 k( 118) = ( 0.0454546 0.4545455 0.0454545), wk = 0.0028249 k( 119) = ( 0.0340909 0.4659091 0.0340909), wk = 0.0028249 k( 120) = ( 0.0227273 0.4772727 0.0227273), wk = 0.0028249 k( 121) = ( 0.0113636 0.4886364 0.0113636), wk = 0.0028249 k( 122) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028249 k( 123) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0028249 k( 124) = ( 0.0134477 0.5065523 -0.0134477), wk = 0.0028249 k( 125) = ( 0.0268954 0.5131046 -0.0268954), wk = 0.0028249 k( 126) = ( 0.0403432 0.5196568 -0.0403432), wk = 0.0028249 k( 127) = ( 0.0537909 0.5262091 -0.0537909), wk = 0.0028249 k( 128) = ( 0.0672386 0.5327614 -0.0672386), wk = 0.0028249 k( 129) = ( 0.0806863 0.5393137 -0.0806863), wk = 0.0028249 k( 130) = ( 0.0941340 0.5458660 -0.0941340), wk = 0.0028249 k( 131) = ( 0.1075818 0.5524182 -0.1075818), wk = 0.0028249 k( 132) = ( 0.1210295 0.5589705 -0.1210295), wk = 0.0028249 k( 133) = ( 0.1344772 0.5655228 -0.1344772), wk = 0.0028249 k( 134) = ( 0.1479249 0.5720751 -0.1479249), wk = 0.0028249 k( 135) = ( 0.1613727 0.5786273 -0.1613727), wk = 0.0028249 k( 136) = ( 0.1748204 0.5851796 -0.1748204), wk = 0.0028249 k( 137) = ( 0.1882681 0.5917319 -0.1882681), wk = 0.0028249 k( 138) = ( 0.2017158 0.5982842 -0.2017158), wk = 0.0028249 k( 139) = ( 0.2151635 0.6048365 -0.2151635), wk = 0.0028249 k( 140) = ( 0.2286113 0.6113887 -0.2286113), wk = 0.0028249 k( 141) = ( 0.2420590 0.6179410 -0.2420590), wk = 0.0028249 k( 142) = ( 0.2555067 0.6244933 -0.2555067), wk = 0.0028249 k( 143) = ( 0.2689544 0.6310456 -0.2689544), wk = 0.0028249 k( 144) = ( 0.2824022 0.6375979 -0.2824022), wk = 0.0028249 k( 145) = ( 0.2958499 0.6441501 -0.2958499), wk = 0.0028249 k( 146) = ( 0.3092976 0.6507024 -0.3092976), wk = 0.0028249 k( 147) = ( 0.3227453 0.6572547 -0.3227453), wk = 0.0028249 k( 148) = ( 0.3361930 0.6638070 -0.3361930), wk = 0.0028249 k( 149) = ( 0.3361930 0.6638070 -0.3361930), wk = 0.0028249 k( 150) = ( 0.3430183 0.6569817 -0.3430183), wk = 0.0028249 k( 151) = ( 0.3498436 0.6501564 -0.3498436), wk = 0.0028249 k( 152) = ( 0.3566689 0.6433311 -0.3566689), wk = 0.0028249 k( 153) = ( 0.3634942 0.6365058 -0.3634942), wk = 0.0028249 k( 154) = ( 0.3703195 0.6296805 -0.3703195), wk = 0.0028249 k( 155) = ( 0.3771448 0.6228552 -0.3771448), wk = 0.0028249 k( 156) = ( 0.3839701 0.6160299 -0.3839701), wk = 0.0028249 k( 157) = ( 0.3907954 0.6092046 -0.3907954), wk = 0.0028249 k( 158) = ( 0.3976207 0.6023793 -0.3976207), wk = 0.0028249 k( 159) = ( 0.4044459 0.5955541 -0.4044459), wk = 0.0028249 k( 160) = ( 0.4112712 0.5887288 -0.4112712), wk = 0.0028249 k( 161) = ( 0.4180965 0.5819035 -0.4180965), wk = 0.0028249 k( 162) = ( 0.4249218 0.5750782 -0.4249218), wk = 0.0028249 k( 163) = ( 0.4317471 0.5682529 -0.4317471), wk = 0.0028249 k( 164) = ( 0.4385724 0.5614276 -0.4385724), wk = 0.0028249 k( 165) = ( 0.4453977 0.5546023 -0.4453977), wk = 0.0028249 k( 166) = ( 0.4522230 0.5477770 -0.4522230), wk = 0.0028249 k( 167) = ( 0.4590483 0.5409517 -0.4590483), wk = 0.0028249 k( 168) = ( 0.4658736 0.5341265 -0.4658736), wk = 0.0028249 k( 169) = ( 0.4726988 0.5273012 -0.4726988), wk = 0.0028249 k( 170) = ( 0.4795241 0.5204759 -0.4795241), wk = 0.0028249 k( 171) = ( 0.4863494 0.5136506 -0.4863494), wk = 0.0028249 k( 172) = ( 0.4931747 0.5068253 -0.4931747), wk = 0.0028249 k( 173) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028249 k( 174) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028249 k( 175) = ( 0.4880952 0.4880952 -0.4880952), wk = 0.0028249 k( 176) = ( 0.4761905 0.4761905 -0.4761905), wk = 0.0028249 k( 177) = ( 0.4642857 0.4642857 -0.4642857), wk = 0.0028249 k( 178) = ( 0.4523810 0.4523810 -0.4523810), wk = 0.0028249 k( 179) = ( 0.4404762 0.4404762 -0.4404762), wk = 0.0028249 k( 180) = ( 0.4285714 0.4285714 -0.4285714), wk = 0.0028249 k( 181) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0028249 k( 182) = ( 0.4047619 0.4047619 -0.4047619), wk = 0.0028249 k( 183) = ( 0.3928571 0.3928571 -0.3928571), wk = 0.0028249 k( 184) = ( 0.3809524 0.3809524 -0.3809524), wk = 0.0028249 k( 185) = ( 0.3690476 0.3690476 -0.3690476), wk = 0.0028249 k( 186) = ( 0.3571429 0.3571429 -0.3571429), wk = 0.0028249 k( 187) = ( 0.3452381 0.3452381 -0.3452381), wk = 0.0028249 k( 188) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0028249 k( 189) = ( 0.3214286 0.3214286 -0.3214286), wk = 0.0028249 k( 190) = ( 0.3095238 0.3095238 -0.3095238), wk = 0.0028249 k( 191) = ( 0.2976190 0.2976191 -0.2976191), wk = 0.0028249 k( 192) = ( 0.2857143 0.2857143 -0.2857143), wk = 0.0028249 k( 193) = ( 0.2738095 0.2738095 -0.2738095), wk = 0.0028249 k( 194) = ( 0.2619048 0.2619048 -0.2619048), wk = 0.0028249 k( 195) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0028249 k( 196) = ( 0.2380952 0.2380952 -0.2380952), wk = 0.0028249 k( 197) = ( 0.2261905 0.2261905 -0.2261905), wk = 0.0028249 k( 198) = ( 0.2142857 0.2142857 -0.2142857), wk = 0.0028249 k( 199) = ( 0.2023810 0.2023810 -0.2023810), wk = 0.0028249 k( 200) = ( 0.1904762 0.1904762 -0.1904762), wk = 0.0028249 k( 201) = ( 0.1785714 0.1785714 -0.1785714), wk = 0.0028249 k( 202) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0028249 k( 203) = ( 0.1547619 0.1547619 -0.1547619), wk = 0.0028249 k( 204) = ( 0.1428571 0.1428571 -0.1428571), wk = 0.0028249 k( 205) = ( 0.1309524 0.1309524 -0.1309524), wk = 0.0028249 k( 206) = ( 0.1190476 0.1190476 -0.1190476), wk = 0.0028249 k( 207) = ( 0.1071429 0.1071429 -0.1071429), wk = 0.0028249 k( 208) = ( 0.0952381 0.0952381 -0.0952381), wk = 0.0028249 k( 209) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0028249 k( 210) = ( 0.0714286 0.0714286 -0.0714286), wk = 0.0028249 k( 211) = ( 0.0595238 0.0595238 -0.0595238), wk = 0.0028249 k( 212) = ( 0.0476191 0.0476190 -0.0476191), wk = 0.0028249 k( 213) = ( 0.0357143 0.0357143 -0.0357143), wk = 0.0028249 k( 214) = ( 0.0238095 0.0238095 -0.0238095), wk = 0.0028249 k( 215) = ( 0.0119048 0.0119048 -0.0119048), wk = 0.0028249 k( 216) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 217) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028249 k( 218) = ( 0.0114506 -0.0114506 0.0114506), wk = 0.0028249 k( 219) = ( 0.0229012 -0.0229012 0.0229012), wk = 0.0028249 k( 220) = ( 0.0343518 -0.0343518 0.0343518), wk = 0.0028249 k( 221) = ( 0.0458024 -0.0458024 0.0458024), wk = 0.0028249 k( 222) = ( 0.0572530 -0.0572530 0.0572530), wk = 0.0028249 k( 223) = ( 0.0687036 -0.0687036 0.0687036), wk = 0.0028249 k( 224) = ( 0.0801542 -0.0801543 0.0801543), wk = 0.0028249 k( 225) = ( 0.0916049 -0.0916049 0.0916049), wk = 0.0028249 k( 226) = ( 0.1030555 -0.1030555 0.1030555), wk = 0.0028249 k( 227) = ( 0.1145061 -0.1145061 0.1145061), wk = 0.0028249 k( 228) = ( 0.1259567 -0.1259567 0.1259567), wk = 0.0028249 k( 229) = ( 0.1374073 -0.1374073 0.1374073), wk = 0.0028249 k( 230) = ( 0.1488579 -0.1488579 0.1488579), wk = 0.0028249 k( 231) = ( 0.1603085 -0.1603085 0.1603085), wk = 0.0028249 k( 232) = ( 0.1717591 -0.1717591 0.1717591), wk = 0.0028249 k( 233) = ( 0.1832097 -0.1832097 0.1832097), wk = 0.0028249 k( 234) = ( 0.1946603 -0.1946603 0.1946603), wk = 0.0028249 k( 235) = ( 0.2061109 -0.2061109 0.2061109), wk = 0.0028249 k( 236) = ( 0.2175615 -0.2175615 0.2175615), wk = 0.0028249 k( 237) = ( 0.2290121 -0.2290121 0.2290121), wk = 0.0028249 k( 238) = ( 0.2404627 -0.2404627 0.2404627), wk = 0.0028249 k( 239) = ( 0.2519133 -0.2519133 0.2519133), wk = 0.0028249 k( 240) = ( 0.2633640 -0.2633640 0.2633640), wk = 0.0028249 k( 241) = ( 0.2748146 -0.2748146 0.2748146), wk = 0.0028249 k( 242) = ( 0.2862652 -0.2862652 0.2862652), wk = 0.0028249 k( 243) = ( 0.2977158 -0.2977158 0.2977158), wk = 0.0028249 k( 244) = ( 0.3091664 -0.3091664 0.3091664), wk = 0.0028249 k( 245) = ( 0.3206170 -0.3206170 0.3206170), wk = 0.0028249 k( 246) = ( 0.3320676 -0.3320676 0.3320676), wk = 0.0028249 k( 247) = ( 0.3435182 -0.3435182 0.3435182), wk = 0.0028249 k( 248) = ( 0.3549688 -0.3549688 0.3549688), wk = 0.0028249 k( 249) = ( 0.3664194 -0.3664194 0.3664194), wk = 0.0028249 k( 250) = ( 0.3778700 -0.3778700 0.3778700), wk = 0.0028249 k( 251) = ( 0.3893206 -0.3893206 0.3893206), wk = 0.0028249 k( 252) = ( 0.4007712 -0.4007712 0.4007712), wk = 0.0028249 k( 253) = ( 0.4122219 -0.4122218 0.4122218), wk = 0.0028249 k( 254) = ( 0.4236724 -0.4236725 0.4236724), wk = 0.0028249 k( 255) = ( 0.4351231 -0.4351231 0.4351231), wk = 0.0028249 k( 256) = ( 0.4465737 -0.4465737 0.4465737), wk = 0.0028249 k( 257) = ( 0.4580243 -0.4580243 0.4580243), wk = 0.0028249 k( 258) = ( 0.4694749 -0.4694749 0.4694749), wk = 0.0028249 k( 259) = ( 0.4809255 -0.4809255 0.4809255), wk = 0.0028249 k( 260) = ( 0.4809255 -0.4809255 0.4809255), wk = 0.0028249 k( 261) = ( 0.4815832 -0.4643419 0.4643419), wk = 0.0028249 k( 262) = ( 0.4822410 -0.4477582 0.4477582), wk = 0.0028249 k( 263) = ( 0.4828987 -0.4311746 0.4311746), wk = 0.0028249 k( 264) = ( 0.4835565 -0.4145909 0.4145909), wk = 0.0028249 k( 265) = ( 0.4842142 -0.3980073 0.3980073), wk = 0.0028249 k( 266) = ( 0.4848719 -0.3814237 0.3814237), wk = 0.0028249 k( 267) = ( 0.4855297 -0.3648400 0.3648400), wk = 0.0028249 k( 268) = ( 0.4861874 -0.3482564 0.3482564), wk = 0.0028249 k( 269) = ( 0.4868452 -0.3316728 0.3316728), wk = 0.0028249 k( 270) = ( 0.4875029 -0.3150891 0.3150891), wk = 0.0028249 k( 271) = ( 0.4881606 -0.2985055 0.2985055), wk = 0.0028249 k( 272) = ( 0.4888184 -0.2819218 0.2819218), wk = 0.0028249 k( 273) = ( 0.4894761 -0.2653382 0.2653382), wk = 0.0028249 k( 274) = ( 0.4901339 -0.2487546 0.2487546), wk = 0.0028249 k( 275) = ( 0.4907916 -0.2321709 0.2321709), wk = 0.0028249 k( 276) = ( 0.4914494 -0.2155873 0.2155873), wk = 0.0028249 k( 277) = ( 0.4921071 -0.1990037 0.1990036), wk = 0.0028249 k( 278) = ( 0.4927648 -0.1824200 0.1824200), wk = 0.0028249 k( 279) = ( 0.4934226 -0.1658364 0.1658364), wk = 0.0028249 k( 280) = ( 0.4940803 -0.1492527 0.1492527), wk = 0.0028249 k( 281) = ( 0.4947381 -0.1326691 0.1326691), wk = 0.0028249 k( 282) = ( 0.4953958 -0.1160855 0.1160855), wk = 0.0028249 k( 283) = ( 0.4960536 -0.0995018 0.0995018), wk = 0.0028249 k( 284) = ( 0.4967113 -0.0829182 0.0829182), wk = 0.0028249 k( 285) = ( 0.4973690 -0.0663346 0.0663345), wk = 0.0028249 k( 286) = ( 0.4980268 -0.0497509 0.0497509), wk = 0.0028249 k( 287) = ( 0.4986845 -0.0331673 0.0331673), wk = 0.0028249 k( 288) = ( 0.4993423 -0.0165836 0.0165836), wk = 0.0028249 k( 289) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0028249 k( 290) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0028249 k( 291) = ( 0.4930556 0.0069444 0.0069444), wk = 0.0028249 k( 292) = ( 0.4861111 0.0138889 0.0138889), wk = 0.0028249 k( 293) = ( 0.4791667 0.0208333 0.0208333), wk = 0.0028249 k( 294) = ( 0.4722222 0.0277778 0.0277778), wk = 0.0028249 k( 295) = ( 0.4652778 0.0347222 0.0347222), wk = 0.0028249 k( 296) = ( 0.4583333 0.0416667 0.0416667), wk = 0.0028249 k( 297) = ( 0.4513889 0.0486111 0.0486111), wk = 0.0028249 k( 298) = ( 0.4444444 0.0555556 0.0555556), wk = 0.0028249 k( 299) = ( 0.4375000 0.0625000 0.0625000), wk = 0.0028249 k( 300) = ( 0.4305556 0.0694444 0.0694444), wk = 0.0028249 k( 301) = ( 0.4236111 0.0763889 0.0763889), wk = 0.0028249 k( 302) = ( 0.4166667 0.0833333 0.0833333), wk = 0.0028249 k( 303) = ( 0.4097222 0.0902778 0.0902778), wk = 0.0028249 k( 304) = ( 0.4027778 0.0972222 0.0972222), wk = 0.0028249 k( 305) = ( 0.3958333 0.1041667 0.1041667), wk = 0.0028249 k( 306) = ( 0.3888889 0.1111111 0.1111111), wk = 0.0028249 k( 307) = ( 0.3819444 0.1180556 0.1180556), wk = 0.0028249 k( 308) = ( 0.3750000 0.1250000 0.1250000), wk = 0.0028249 k( 309) = ( 0.3680556 0.1319444 0.1319444), wk = 0.0028249 k( 310) = ( 0.3611111 0.1388889 0.1388889), wk = 0.0028249 k( 311) = ( 0.3541667 0.1458333 0.1458333), wk = 0.0028249 k( 312) = ( 0.3472222 0.1527778 0.1527778), wk = 0.0028249 k( 313) = ( 0.3402778 0.1597222 0.1597222), wk = 0.0028249 k( 314) = ( 0.3333333 0.1666667 0.1666667), wk = 0.0028249 k( 315) = ( 0.3263889 0.1736111 0.1736111), wk = 0.0028249 k( 316) = ( 0.3194444 0.1805556 0.1805556), wk = 0.0028249 k( 317) = ( 0.3125000 0.1875000 0.1875000), wk = 0.0028249 k( 318) = ( 0.3055556 0.1944444 0.1944444), wk = 0.0028249 k( 319) = ( 0.2986111 0.2013889 0.2013889), wk = 0.0028249 k( 320) = ( 0.2916667 0.2083333 0.2083333), wk = 0.0028249 k( 321) = ( 0.2847222 0.2152778 0.2152778), wk = 0.0028249 k( 322) = ( 0.2777778 0.2222222 0.2222222), wk = 0.0028249 k( 323) = ( 0.2708333 0.2291667 0.2291667), wk = 0.0028249 k( 324) = ( 0.2638889 0.2361111 0.2361111), wk = 0.0028249 k( 325) = ( 0.2569444 0.2430556 0.2430556), wk = 0.0028249 k( 326) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028249 k( 327) = ( 0.3171185 -0.3171185 0.6447325), wk = 0.0028249 k( 328) = ( 0.3239438 -0.3239438 0.6379072), wk = 0.0028249 k( 329) = ( 0.3307691 -0.3307691 0.6310819), wk = 0.0028249 k( 330) = ( 0.3375944 -0.3375944 0.6242566), wk = 0.0028249 k( 331) = ( 0.3444197 -0.3444197 0.6174313), wk = 0.0028249 k( 332) = ( 0.3512450 -0.3512450 0.6106060), wk = 0.0028249 k( 333) = ( 0.3580703 -0.3580703 0.6037807), wk = 0.0028249 k( 334) = ( 0.3648956 -0.3648956 0.5969554), wk = 0.0028249 k( 335) = ( 0.3717208 -0.3717208 0.5901301), wk = 0.0028249 k( 336) = ( 0.3785461 -0.3785461 0.5833048), wk = 0.0028249 k( 337) = ( 0.3853714 -0.3853714 0.5764795), wk = 0.0028249 k( 338) = ( 0.3921967 -0.3921967 0.5696543), wk = 0.0028249 k( 339) = ( 0.3990220 -0.3990220 0.5628290), wk = 0.0028249 k( 340) = ( 0.4058473 -0.4058473 0.5560037), wk = 0.0028249 k( 341) = ( 0.4126726 -0.4126726 0.5491784), wk = 0.0028249 k( 342) = ( 0.4194979 -0.4194979 0.5423531), wk = 0.0028249 k( 343) = ( 0.4263232 -0.4263232 0.5355278), wk = 0.0028249 k( 344) = ( 0.4331485 -0.4331485 0.5287025), wk = 0.0028249 k( 345) = ( 0.4399737 -0.4399737 0.5218772), wk = 0.0028249 k( 346) = ( 0.4467990 -0.4467990 0.5150519), wk = 0.0028249 k( 347) = ( 0.4536243 -0.4536243 0.5082267), wk = 0.0028249 k( 348) = ( 0.4604496 -0.4604496 0.5014014), wk = 0.0028249 k( 349) = ( 0.4672749 -0.4672749 0.4945761), wk = 0.0028249 k( 350) = ( 0.4741002 -0.4741002 0.4877508), wk = 0.0028249 k( 351) = ( 0.4809255 -0.4809255 0.4809255), wk = 0.0028249 k( 352) = ( 0.5190745 0.4809255 -0.4809255), wk = 0.0028249 k( 353) = ( 0.5095373 0.4904627 -0.4904627), wk = 0.0028249 k( 354) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028249 Dense grid: 119941 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 60215 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.29 Mb ( 330, 58) NL pseudopotentials 0.31 Mb ( 165, 124) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 2499) G-vector shells 0.02 Mb ( 2296) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.17 Mb ( 330, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.22 Mb ( 124, 2, 58) The potential is recalculated from file : ./NaGeAu.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 44.9 secs Computing kpt #: 2 total cpu time spent up to now is 49.7 secs Computing kpt #: 3 total cpu time spent up to now is 55.1 secs Computing kpt #: 4 total cpu time spent up to now is 61.6 secs Computing kpt #: 5 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 69.0 secs Computing kpt #: 6 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 76.6 secs Computing kpt #: 7 total cpu time spent up to now is 82.1 secs Computing kpt #: 8 total cpu time spent up to now is 88.3 secs Computing kpt #: 9 total cpu time spent up to now is 93.8 secs Computing kpt #: 10 total cpu time spent up to now is 98.5 secs Computing kpt #: 11 total cpu time spent up to now is 103.0 secs Computing kpt #: 12 total cpu time spent up to now is 107.5 secs Computing kpt #: 13 total cpu time spent up to now is 111.5 secs Computing kpt #: 14 total cpu time spent up to now is 115.8 secs Computing kpt #: 15 total cpu time spent up to now is 119.6 secs Computing kpt #: 16 total cpu time spent up to now is 123.8 secs Computing kpt #: 17 total cpu time spent up to now is 127.6 secs Computing kpt #: 18 total cpu time spent up to now is 131.3 secs Computing kpt #: 19 total cpu time spent up to now is 135.0 secs Computing kpt #: 20 total cpu time spent up to now is 138.6 secs Computing kpt #: 21 total cpu time spent up to now is 142.5 secs Computing kpt #: 22 total cpu time spent up to now is 146.1 secs Computing kpt #: 23 total cpu time spent up to now is 149.8 secs Computing kpt #: 24 total cpu time spent up to now is 153.7 secs Computing kpt #: 25 total cpu time spent up to now is 157.6 secs Computing kpt #: 26 total cpu time spent up to now is 162.5 secs Computing kpt #: 27 total cpu time spent up to now is 166.6 secs Computing kpt #: 28 total cpu time spent up to now is 170.9 secs Computing kpt #: 29 total cpu time spent up to now is 175.0 secs Computing kpt #: 30 total cpu time spent up to now is 178.8 secs Computing kpt #: 31 total cpu time spent up to now is 182.5 secs Computing kpt #: 32 total cpu time spent up to now is 186.2 secs Computing kpt #: 33 total cpu time spent up to now is 190.0 secs Computing kpt #: 34 total cpu time spent up to now is 193.7 secs Computing kpt #: 35 total cpu time spent up to now is 197.6 secs Computing kpt #: 36 total cpu time spent up to now is 201.4 secs Computing kpt #: 37 total cpu time spent up to now is 205.2 secs Computing kpt #: 38 total cpu time spent up to now is 209.4 secs Computing kpt #: 39 total cpu time spent up to now is 213.4 secs Computing kpt #: 40 total cpu time spent up to now is 218.0 secs Computing kpt #: 41 total cpu time spent up to now is 223.1 secs Computing kpt #: 42 total cpu time spent up to now is 230.1 secs Computing kpt #: 43 total cpu time spent up to now is 237.8 secs Computing kpt #: 44 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 245.1 secs Computing kpt #: 45 total cpu time spent up to now is 251.1 secs Computing kpt #: 46 total cpu time spent up to now is 256.3 secs Computing kpt #: 47 total cpu time spent up to now is 261.1 secs Computing kpt #: 48 total cpu time spent up to now is 265.7 secs Computing kpt #: 49 total cpu time spent up to now is 270.1 secs Computing kpt #: 50 total cpu time spent up to now is 274.6 secs Computing kpt #: 51 total cpu time spent up to now is 279.2 secs Computing kpt #: 52 total cpu time spent up to now is 283.3 secs Computing kpt #: 53 total cpu time spent up to now is 287.4 secs Computing kpt #: 54 total cpu time spent up to now is 291.6 secs Computing kpt #: 55 total cpu time spent up to now is 295.6 secs Computing kpt #: 56 total cpu time spent up to now is 300.0 secs Computing kpt #: 57 total cpu time spent up to now is 304.3 secs Computing kpt #: 58 total cpu time spent up to now is 308.2 secs Computing kpt #: 59 total cpu time spent up to now is 312.1 secs Computing kpt #: 60 total cpu time spent up to now is 315.9 secs Computing kpt #: 61 total cpu time spent up to now is 320.0 secs Computing kpt #: 62 total cpu time spent up to now is 324.0 secs Computing kpt #: 63 total cpu time spent up to now is 328.2 secs Computing kpt #: 64 total cpu time spent up to now is 332.1 secs Computing kpt #: 65 total cpu time spent up to now is 336.2 secs Computing kpt #: 66 total cpu time spent up to now is 340.1 secs Computing kpt #: 67 total cpu time spent up to now is 344.6 secs Computing kpt #: 68 total cpu time spent up to now is 349.0 secs Computing kpt #: 69 total cpu time spent up to now is 353.6 secs Computing kpt #: 70 total cpu time spent up to now is 358.5 secs Computing kpt #: 71 total cpu time spent up to now is 362.7 secs Computing kpt #: 72 total cpu time spent up to now is 367.2 secs Computing kpt #: 73 total cpu time spent up to now is 371.6 secs Computing kpt #: 74 total cpu time spent up to now is 376.2 secs Computing kpt #: 75 total cpu time spent up to now is 380.6 secs Computing kpt #: 76 total cpu time spent up to now is 384.8 secs Computing kpt #: 77 total cpu time spent up to now is 388.8 secs Computing kpt #: 78 total cpu time spent up to now is 392.7 secs Computing kpt #: 79 total cpu time spent up to now is 396.7 secs Computing kpt #: 80 total cpu time spent up to now is 400.8 secs Computing kpt #: 81 total cpu time spent up to now is 405.4 secs Computing kpt #: 82 total cpu time spent up to now is 409.9 secs Computing kpt #: 83 total cpu time spent up to now is 414.2 secs Computing kpt #: 84 total cpu time spent up to now is 419.0 secs Computing kpt #: 85 total cpu time spent up to now is 423.6 secs Computing kpt #: 86 total cpu time spent up to now is 428.1 secs Computing kpt #: 87 total cpu time spent up to now is 432.0 secs Computing kpt #: 88 total cpu time spent up to now is 435.9 secs Computing kpt #: 89 total cpu time spent up to now is 439.8 secs Computing kpt #: 90 total cpu time spent up to now is 443.7 secs Computing kpt #: 91 total cpu time spent up to now is 447.5 secs Computing kpt #: 92 total cpu time spent up to now is 451.3 secs Computing kpt #: 93 total cpu time spent up to now is 455.1 secs Computing kpt #: 94 total cpu time spent up to now is 458.8 secs Computing kpt #: 95 total cpu time spent up to now is 464.7 secs Computing kpt #: 96 total cpu time spent up to now is 469.2 secs Computing kpt #: 97 total cpu time spent up to now is 473.2 secs Computing kpt #: 98 total cpu time spent up to now is 477.4 secs Computing kpt #: 99 total cpu time spent up to now is 481.4 secs Computing kpt #: 100 total cpu time spent up to now is 485.2 secs Computing kpt #: 101 total cpu time spent up to now is 489.0 secs Computing kpt #: 102 total cpu time spent up to now is 492.6 secs Computing kpt #: 103 total cpu time spent up to now is 496.2 secs Computing kpt #: 104 total cpu time spent up to now is 499.7 secs Computing kpt #: 105 total cpu time spent up to now is 503.2 secs Computing kpt #: 106 total cpu time spent up to now is 507.2 secs Computing kpt #: 107 total cpu time spent up to now is 510.9 secs Computing kpt #: 108 total cpu time spent up to now is 514.6 secs Computing kpt #: 109 total cpu time spent up to now is 518.1 secs Computing kpt #: 110 total cpu time spent up to now is 521.5 secs Computing kpt #: 111 total cpu time spent up to now is 525.0 secs Computing kpt #: 112 total cpu time spent up to now is 528.6 secs Computing kpt #: 113 total cpu time spent up to now is 532.3 secs Computing kpt #: 114 total cpu time spent up to now is 536.0 secs Computing kpt #: 115 total cpu time spent up to now is 539.7 secs Computing kpt #: 116 total cpu time spent up to now is 543.5 secs Computing kpt #: 117 total cpu time spent up to now is 547.3 secs Computing kpt #: 118 total cpu time spent up to now is 551.0 secs Computing kpt #: 119 total cpu time spent up to now is 554.6 secs Computing kpt #: 120 total cpu time spent up to now is 558.5 secs Computing kpt #: 121 total cpu time spent up to now is 562.4 secs Computing kpt #: 122 total cpu time spent up to now is 566.2 secs Computing kpt #: 123 total cpu time spent up to now is 570.1 secs Computing kpt #: 124 total cpu time spent up to now is 574.0 secs Computing kpt #: 125 total cpu time spent up to now is 578.0 secs Computing kpt #: 126 total cpu time spent up to now is 581.9 secs Computing kpt #: 127 total cpu time spent up to now is 586.1 secs Computing kpt #: 128 total cpu time spent up to now is 589.9 secs Computing kpt #: 129 total cpu time spent up to now is 593.6 secs Computing kpt #: 130 total cpu time spent up to now is 598.0 secs Computing kpt #: 131 total cpu time spent up to now is 601.7 secs Computing kpt #: 132 total cpu time spent up to now is 605.4 secs Computing kpt #: 133 total cpu time spent up to now is 609.2 secs Computing kpt #: 134 total cpu time spent up to now is 613.3 secs Computing kpt #: 135 total cpu time spent up to now is 617.0 secs Computing kpt #: 136 total cpu time spent up to now is 620.8 secs Computing kpt #: 137 total cpu time spent up to now is 624.7 secs Computing kpt #: 138 total cpu time spent up to now is 628.5 secs Computing kpt #: 139 total cpu time spent up to now is 632.6 secs Computing kpt #: 140 total cpu time spent up to now is 636.7 secs Computing kpt #: 141 total cpu time spent up to now is 640.9 secs Computing kpt #: 142 total cpu time spent up to now is 645.0 secs Computing kpt #: 143 total cpu time spent up to now is 649.0 secs Computing kpt #: 144 total cpu time spent up to now is 653.5 secs Computing kpt #: 145 total cpu time spent up to now is 657.6 secs Computing kpt #: 146 total cpu time spent up to now is 662.0 secs Computing kpt #: 147 total cpu time spent up to now is 666.5 secs Computing kpt #: 148 total cpu time spent up to now is 671.0 secs Computing kpt #: 149 total cpu time spent up to now is 675.6 secs Computing kpt #: 150 total cpu time spent up to now is 679.7 secs Computing kpt #: 151 total cpu time spent up to now is 683.7 secs Computing kpt #: 152 total cpu time spent up to now is 687.8 secs Computing kpt #: 153 total cpu time spent up to now is 691.8 secs Computing kpt #: 154 total cpu time spent up to now is 696.6 secs Computing kpt #: 155 total cpu time spent up to now is 701.6 secs Computing kpt #: 156 total cpu time spent up to now is 706.4 secs Computing kpt #: 157 total cpu time spent up to now is 711.4 secs Computing kpt #: 158 total cpu time spent up to now is 715.8 secs Computing kpt #: 159 total cpu time spent up to now is 719.8 secs Computing kpt #: 160 total cpu time spent up to now is 723.9 secs Computing kpt #: 161 total cpu time spent up to now is 728.1 secs Computing kpt #: 162 total cpu time spent up to now is 731.9 secs Computing kpt #: 163 total cpu time spent up to now is 735.9 secs Computing kpt #: 164 total cpu time spent up to now is 739.7 secs Computing kpt #: 165 total cpu time spent up to now is 743.6 secs Computing kpt #: 166 total cpu time spent up to now is 747.4 secs Computing kpt #: 167 total cpu time spent up to now is 751.2 secs Computing kpt #: 168 total cpu time spent up to now is 755.0 secs Computing kpt #: 169 total cpu time spent up to now is 758.8 secs Computing kpt #: 170 total cpu time spent up to now is 764.1 secs Computing kpt #: 171 total cpu time spent up to now is 768.5 secs Computing kpt #: 172 total cpu time spent up to now is 771.8 secs Computing kpt #: 173 total cpu time spent up to now is 775.4 secs Computing kpt #: 174 total cpu time spent up to now is 779.3 secs Computing kpt #: 175 total cpu time spent up to now is 782.5 secs Computing kpt #: 176 total cpu time spent up to now is 786.3 secs Computing kpt #: 177 total cpu time spent up to now is 789.7 secs Computing kpt #: 178 total cpu time spent up to now is 793.2 secs Computing kpt #: 179 total cpu time spent up to now is 796.6 secs Computing kpt #: 180 total cpu time spent up to now is 800.1 secs Computing kpt #: 181 total cpu time spent up to now is 803.6 secs Computing kpt #: 182 total cpu time spent up to now is 807.3 secs Computing kpt #: 183 total cpu time spent up to now is 811.0 secs Computing kpt #: 184 total cpu time spent up to now is 814.6 secs Computing kpt #: 185 total cpu time spent up to now is 818.4 secs Computing kpt #: 186 total cpu time spent up to now is 822.1 secs Computing kpt #: 187 total cpu time spent up to now is 825.8 secs Computing kpt #: 188 total cpu time spent up to now is 829.6 secs Computing kpt #: 189 total cpu time spent up to now is 833.3 secs Computing kpt #: 190 total cpu time spent up to now is 837.0 secs Computing kpt #: 191 total cpu time spent up to now is 840.8 secs Computing kpt #: 192 total cpu time spent up to now is 844.8 secs Computing kpt #: 193 total cpu time spent up to now is 848.9 secs Computing kpt #: 194 total cpu time spent up to now is 852.9 secs Computing kpt #: 195 total cpu time spent up to now is 856.9 secs Computing kpt #: 196 total cpu time spent up to now is 861.3 secs Computing kpt #: 197 total cpu time spent up to now is 865.4 secs Computing kpt #: 198 total cpu time spent up to now is 869.5 secs Computing kpt #: 199 total cpu time spent up to now is 873.7 secs Computing kpt #: 200 total cpu time spent up to now is 877.7 secs Computing kpt #: 201 total cpu time spent up to now is 881.8 secs Computing kpt #: 202 total cpu time spent up to now is 886.1 secs Computing kpt #: 203 total cpu time spent up to now is 890.2 secs Computing kpt #: 204 total cpu time spent up to now is 894.4 secs Computing kpt #: 205 total cpu time spent up to now is 898.8 secs Computing kpt #: 206 total cpu time spent up to now is 903.1 secs Computing kpt #: 207 total cpu time spent up to now is 907.6 secs Computing kpt #: 208 total cpu time spent up to now is 912.2 secs Computing kpt #: 209 total cpu time spent up to now is 916.9 secs Computing kpt #: 210 total cpu time spent up to now is 921.6 secs Computing kpt #: 211 total cpu time spent up to now is 926.2 secs Computing kpt #: 212 total cpu time spent up to now is 930.9 secs Computing kpt #: 213 total cpu time spent up to now is 935.4 secs Computing kpt #: 214 total cpu time spent up to now is 939.7 secs Computing kpt #: 215 total cpu time spent up to now is 944.8 secs Computing kpt #: 216 total cpu time spent up to now is 949.3 secs Computing kpt #: 217 total cpu time spent up to now is 954.1 secs Computing kpt #: 218 total cpu time spent up to now is 958.8 secs Computing kpt #: 219 total cpu time spent up to now is 963.5 secs Computing kpt #: 220 total cpu time spent up to now is 968.3 secs Computing kpt #: 221 total cpu time spent up to now is 972.8 secs Computing kpt #: 222 total cpu time spent up to now is 976.9 secs Computing kpt #: 223 total cpu time spent up to now is 980.7 secs Computing kpt #: 224 total cpu time spent up to now is 984.7 secs Computing kpt #: 225 total cpu time spent up to now is 988.6 secs Computing kpt #: 226 total cpu time spent up to now is 992.3 secs Computing kpt #: 227 total cpu time spent up to now is 995.8 secs Computing kpt #: 228 total cpu time spent up to now is 999.8 secs Computing kpt #: 229 total cpu time spent up to now is 1003.3 secs Computing kpt #: 230 total cpu time spent up to now is 1006.9 secs Computing kpt #: 231 total cpu time spent up to now is 1010.6 secs Computing kpt #: 232 total cpu time spent up to now is 1014.5 secs Computing kpt #: 233 total cpu time spent up to now is 1018.1 secs Computing kpt #: 234 total cpu time spent up to now is 1021.6 secs Computing kpt #: 235 total cpu time spent up to now is 1025.2 secs Computing kpt #: 236 total cpu time spent up to now is 1029.2 secs Computing kpt #: 237 total cpu time spent up to now is 1032.8 secs Computing kpt #: 238 total cpu time spent up to now is 1036.5 secs Computing kpt #: 239 total cpu time spent up to now is 1040.3 secs Computing kpt #: 240 total cpu time spent up to now is 1043.9 secs Computing kpt #: 241 total cpu time spent up to now is 1047.7 secs Computing kpt #: 242 total cpu time spent up to now is 1051.6 secs Computing kpt #: 243 total cpu time spent up to now is 1055.6 secs Computing kpt #: 244 total cpu time spent up to now is 1059.7 secs Computing kpt #: 245 total cpu time spent up to now is 1066.7 secs Computing kpt #: 246 total cpu time spent up to now is 1072.1 secs Computing kpt #: 247 total cpu time spent up to now is 1077.9 secs Computing kpt #: 248 total cpu time spent up to now is 1082.9 secs Computing kpt #: 249 total cpu time spent up to now is 1087.6 secs Computing kpt #: 250 total cpu time spent up to now is 1091.8 secs Computing kpt #: 251 total cpu time spent up to now is 1095.5 secs Computing kpt #: 252 total cpu time spent up to now is 1099.5 secs Computing kpt #: 253 total cpu time spent up to now is 1103.6 secs Computing kpt #: 254 total cpu time spent up to now is 1107.1 secs Computing kpt #: 255 total cpu time spent up to now is 1111.4 secs Computing kpt #: 256 total cpu time spent up to now is 1115.2 secs Computing kpt #: 257 total cpu time spent up to now is 1118.7 secs Computing kpt #: 258 total cpu time spent up to now is 1122.3 secs Computing kpt #: 259 total cpu time spent up to now is 1126.1 secs Computing kpt #: 260 total cpu time spent up to now is 1129.7 secs Computing kpt #: 261 total cpu time spent up to now is 1133.5 secs Computing kpt #: 262 total cpu time spent up to now is 1137.3 secs Computing kpt #: 263 total cpu time spent up to now is 1140.8 secs Computing kpt #: 264 total cpu time spent up to now is 1144.6 secs Computing kpt #: 265 total cpu time spent up to now is 1148.3 secs Computing kpt #: 266 total cpu time spent up to now is 1152.1 secs Computing kpt #: 267 total cpu time spent up to now is 1156.1 secs Computing kpt #: 268 total cpu time spent up to now is 1159.9 secs Computing kpt #: 269 total cpu time spent up to now is 1164.2 secs Computing kpt #: 270 total cpu time spent up to now is 1167.7 secs Computing kpt #: 271 total cpu time spent up to now is 1171.5 secs Computing kpt #: 272 total cpu time spent up to now is 1175.1 secs Computing kpt #: 273 total cpu time spent up to now is 1178.9 secs Computing kpt #: 274 total cpu time spent up to now is 1182.9 secs Computing kpt #: 275 total cpu time spent up to now is 1186.5 secs Computing kpt #: 276 total cpu time spent up to now is 1190.3 secs Computing kpt #: 277 total cpu time spent up to now is 1193.9 secs Computing kpt #: 278 total cpu time spent up to now is 1198.2 secs Computing kpt #: 279 total cpu time spent up to now is 1202.3 secs Computing kpt #: 280 total cpu time spent up to now is 1206.0 secs Computing kpt #: 281 total cpu time spent up to now is 1210.2 secs Computing kpt #: 282 total cpu time spent up to now is 1213.9 secs Computing kpt #: 283 total cpu time spent up to now is 1217.8 secs Computing kpt #: 284 total cpu time spent up to now is 1221.5 secs Computing kpt #: 285 total cpu time spent up to now is 1225.5 secs Computing kpt #: 286 total cpu time spent up to now is 1229.5 secs Computing kpt #: 287 total cpu time spent up to now is 1233.3 secs Computing kpt #: 288 total cpu time spent up to now is 1237.5 secs Computing kpt #: 289 total cpu time spent up to now is 1241.1 secs Computing kpt #: 290 total cpu time spent up to now is 1245.3 secs Computing kpt #: 291 total cpu time spent up to now is 1249.1 secs Computing kpt #: 292 total cpu time spent up to now is 1253.4 secs Computing kpt #: 293 total cpu time spent up to now is 1257.4 secs Computing kpt #: 294 total cpu time spent up to now is 1261.1 secs Computing kpt #: 295 total cpu time spent up to now is 1265.3 secs Computing kpt #: 296 total cpu time spent up to now is 1269.0 secs Computing kpt #: 297 total cpu time spent up to now is 1273.5 secs Computing kpt #: 298 total cpu time spent up to now is 1278.0 secs Computing kpt #: 299 total cpu time spent up to now is 1283.2 secs Computing kpt #: 300 total cpu time spent up to now is 1289.2 secs Computing kpt #: 301 total cpu time spent up to now is 1295.3 secs Computing kpt #: 302 total cpu time spent up to now is 1301.6 secs Computing kpt #: 303 total cpu time spent up to now is 1307.2 secs Computing kpt #: 304 total cpu time spent up to now is 1312.2 secs Computing kpt #: 305 total cpu time spent up to now is 1317.6 secs Computing kpt #: 306 total cpu time spent up to now is 1323.3 secs Computing kpt #: 307 total cpu time spent up to now is 1328.3 secs Computing kpt #: 308 total cpu time spent up to now is 1333.1 secs Computing kpt #: 309 total cpu time spent up to now is 1337.9 secs Computing kpt #: 310 total cpu time spent up to now is 1341.8 secs Computing kpt #: 311 total cpu time spent up to now is 1346.0 secs Computing kpt #: 312 total cpu time spent up to now is 1350.2 secs Computing kpt #: 313 total cpu time spent up to now is 1354.4 secs Computing kpt #: 314 total cpu time spent up to now is 1358.5 secs Computing kpt #: 315 total cpu time spent up to now is 1363.2 secs Computing kpt #: 316 total cpu time spent up to now is 1368.9 secs Computing kpt #: 317 total cpu time spent up to now is 1372.9 secs Computing kpt #: 318 total cpu time spent up to now is 1376.6 secs Computing kpt #: 319 total cpu time spent up to now is 1380.4 secs Computing kpt #: 320 total cpu time spent up to now is 1384.3 secs Computing kpt #: 321 total cpu time spent up to now is 1388.1 secs Computing kpt #: 322 total cpu time spent up to now is 1391.8 secs Computing kpt #: 323 total cpu time spent up to now is 1395.7 secs Computing kpt #: 324 total cpu time spent up to now is 1399.5 secs Computing kpt #: 325 total cpu time spent up to now is 1403.5 secs Computing kpt #: 326 total cpu time spent up to now is 1407.4 secs Computing kpt #: 327 total cpu time spent up to now is 1411.5 secs Computing kpt #: 328 total cpu time spent up to now is 1415.7 secs Computing kpt #: 329 total cpu time spent up to now is 1420.3 secs Computing kpt #: 330 total cpu time spent up to now is 1424.4 secs Computing kpt #: 331 total cpu time spent up to now is 1429.1 secs Computing kpt #: 332 total cpu time spent up to now is 1433.9 secs Computing kpt #: 333 total cpu time spent up to now is 1438.8 secs Computing kpt #: 334 total cpu time spent up to now is 1443.6 secs Computing kpt #: 335 total cpu time spent up to now is 1448.2 secs Computing kpt #: 336 total cpu time spent up to now is 1452.8 secs Computing kpt #: 337 total cpu time spent up to now is 1457.1 secs Computing kpt #: 338 total cpu time spent up to now is 1461.3 secs Computing kpt #: 339 total cpu time spent up to now is 1465.3 secs Computing kpt #: 340 total cpu time spent up to now is 1469.2 secs Computing kpt #: 341 total cpu time spent up to now is 1473.0 secs Computing kpt #: 342 total cpu time spent up to now is 1476.7 secs Computing kpt #: 343 total cpu time spent up to now is 1480.4 secs Computing kpt #: 344 total cpu time spent up to now is 1483.9 secs Computing kpt #: 345 total cpu time spent up to now is 1487.7 secs Computing kpt #: 346 total cpu time spent up to now is 1491.4 secs Computing kpt #: 347 total cpu time spent up to now is 1495.1 secs Computing kpt #: 348 total cpu time spent up to now is 1499.0 secs Computing kpt #: 349 total cpu time spent up to now is 1502.7 secs Computing kpt #: 350 total cpu time spent up to now is 1506.3 secs Computing kpt #: 351 total cpu time spent up to now is 1510.0 secs Computing kpt #: 352 total cpu time spent up to now is 1513.6 secs Computing kpt #: 353 total cpu time spent up to now is 1517.2 secs Computing kpt #: 354 total cpu time spent up to now is 1521.0 secs ethr = 2.08E-11, avg # of iterations = 34.5 total cpu time spent up to now is 1521.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7501 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1428 -16.1428 -16.0346 -16.0346 -15.9707 -15.9707 -15.9573 -15.9573 -15.8604 -15.8604 -15.8523 -15.8523 -2.6992 -2.6992 0.1497 0.1497 1.9202 1.9202 2.2776 2.2776 2.4612 2.4612 2.6659 2.6659 2.9892 2.9892 3.3920 3.3920 3.6700 3.6700 4.1789 4.1789 4.3026 4.3026 4.8216 4.8216 5.5555 5.5555 5.8559 5.8559 7.2621 7.2621 8.4545 8.4545 9.0561 9.0561 9.4336 9.4336 10.1932 10.1932 11.2328 11.2328 12.1791 12.1791 k =-0.0070 0.0062 0.0153 ( 7505 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1428 -16.1427 -16.0347 -16.0346 -15.9708 -15.9707 -15.9573 -15.9573 -15.8604 -15.8604 -15.8523 -15.8523 -2.6983 -2.6979 0.1470 0.1534 1.9190 1.9215 2.2757 2.2798 2.4600 2.4623 2.6532 2.6768 2.9824 2.9983 3.3829 3.4013 3.6547 3.6853 4.1758 4.1812 4.2980 4.3073 4.8156 4.8291 5.5446 5.5675 5.8508 5.8615 7.2517 7.2683 8.4255 8.4638 9.0044 9.0426 9.4429 9.4798 10.1446 10.2405 11.2295 11.2401 12.1758 12.2045 k =-0.0140 0.0124 0.0307 ( 7509 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1428 -16.1427 -16.0347 -16.0346 -15.9708 -15.9707 -15.9573 -15.9573 -15.8604 -15.8604 -15.8523 -15.8523 -2.6952 -2.6945 0.1454 0.1582 1.9179 1.9231 2.2739 2.2821 2.4586 2.4630 2.6393 2.6859 2.9774 3.0097 3.3744 3.4107 3.6394 3.7004 4.1719 4.1828 4.2934 4.3117 4.8110 4.8383 5.5348 5.5804 5.8460 5.8674 7.2373 7.2704 8.3783 8.4526 8.9109 8.9802 9.4855 9.5624 10.0983 10.2848 11.2307 11.2508 12.1950 12.2496 k =-0.0210 0.0187 0.0460 ( 7513 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1428 -16.1428 -16.0348 -16.0346 -15.9709 -15.9707 -15.9574 -15.9573 -15.8604 -15.8604 -15.8523 -15.8523 -2.6899 -2.6889 0.1448 0.1640 1.9168 1.9248 2.2722 2.2846 2.4569 2.4636 2.6245 2.6928 2.9740 3.0234 3.3666 3.4199 3.6244 3.7152 4.1670 4.1837 4.2890 4.3159 4.8077 4.8493 5.5262 5.5942 5.8416 5.8737 7.2187 7.2681 8.3149 8.4210 8.8015 8.8937 9.5358 9.6489 10.0621 10.3252 11.2365 11.2642 12.2365 12.3079 k =-0.0280 0.0249 0.0613 ( 7503 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1429 -16.1427 -16.0348 -16.0346 -15.9709 -15.9706 -15.9574 -15.9573 -15.8604 -15.8604 -15.8523 -15.8523 -2.6825 -2.6811 0.1453 0.1708 1.9158 1.9267 2.2707 2.2873 2.4550 2.4640 2.6094 2.6977 2.9719 3.0394 3.3596 3.4286 3.6100 3.7296 4.1613 4.1839 4.2849 4.3196 4.8053 4.8622 5.5186 5.6087 5.8374 5.8803 7.1961 7.2613 8.2379 8.3696 8.6887 8.7958 9.5817 9.7096 10.0535 10.3614 11.2468 11.2798 12.2975 12.3306 k =-0.0350 0.0311 0.0767 ( 7503 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1429 -16.1427 -16.0349 -16.0346 -15.9709 -15.9706 -15.9574 -15.9573 -15.8605 -15.8605 -15.8523 -15.8523 -2.6730 -2.6713 0.1467 0.1786 1.9146 1.9288 2.2694 2.2901 2.4528 2.4641 2.5943 2.7007 2.9708 3.0574 3.3536 3.4364 3.5966 3.7437 4.1548 4.1837 4.2812 4.3228 4.8039 4.8770 5.5120 5.6236 5.8334 5.8872 7.1693 7.2496 8.1497 8.3005 8.5778 8.6917 9.6172 9.7201 10.0919 10.3937 11.2613 11.2973 12.2919 12.3817 k =-0.0420 0.0373 0.0920 ( 7507 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1429 -16.1428 -16.0349 -16.0346 -15.9710 -15.9706 -15.9574 -15.9573 -15.8605 -15.8605 -15.8524 -15.8523 -2.6614 -2.6594 0.1490 0.1872 1.9134 1.9310 2.2682 2.2931 2.4504 2.4641 2.5797 2.7020 2.9705 3.0771 3.3486 3.4428 3.5844 3.7575 4.1474 4.1829 4.2778 4.3254 4.8033 4.8939 5.5063 5.6386 5.8293 5.8941 7.1384 7.2330 8.0528 8.2165 8.4708 8.5843 9.6388 9.6867 10.1682 10.4234 11.2795 11.3165 12.2571 12.4161 k =-0.0490 0.0435 0.1073 ( 7507 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1430 -16.1428 -16.0350 -16.0347 -15.9710 -15.9706 -15.9575 -15.9574 -15.8605 -15.8605 -15.8524 -15.8523 -2.6477 -2.6454 0.1522 0.1966 1.9119 1.9335 2.2671 2.2963 2.4478 2.4638 2.5659 2.7021 2.9708 3.0983 3.3449 3.4473 3.5741 3.7708 4.1394 4.1816 4.2747 4.3273 4.8033 4.9129 5.5013 5.6533 5.8251 5.9008 7.1034 7.2111 7.9496 8.1219 8.3680 8.4753 9.6310 9.6446 10.2596 10.4521 11.3008 11.3373 12.2234 12.4241 k =-0.0560 0.0498 0.1226 ( 7499 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1430 -16.1428 -16.0351 -16.0347 -15.9710 -15.9705 -15.9575 -15.9574 -15.8606 -15.8606 -15.8524 -15.8523 -2.6320 -2.6294 0.1561 0.2067 1.9101 1.9360 2.2661 2.2996 2.4450 2.4633 2.5533 2.7011 2.9715 3.1204 3.3424 3.4494 3.5662 3.7838 4.1306 4.1800 4.2719 4.3285 4.8037 4.9338 5.4968 5.6674 5.8204 5.9071 7.0645 7.1839 7.8422 8.0209 8.2684 8.3655 9.5650 9.6339 10.3533 10.4814 11.3248 11.3600 12.1912 12.4183 k =-0.0630 0.0560 0.1380 ( 7503 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1430 -16.1428 -16.0352 -16.0348 -15.9710 -15.9705 -15.9576 -15.9574 -15.8606 -15.8606 -15.8524 -15.8523 -2.6143 -2.6114 0.1607 0.2174 1.9080 1.9387 2.2652 2.3031 2.4420 2.4627 2.5420 2.6995 2.9726 3.1431 3.3412 3.4488 3.5610 3.7965 4.1212 4.1781 4.2694 4.3290 4.8044 4.9566 5.4925 5.6802 5.8151 5.9127 7.0221 7.1516 7.7326 7.9171 8.1715 8.2557 9.4944 9.6073 10.4435 10.5124 11.3510 11.3846 12.1602 12.4024 k =-0.0700 0.0622 0.1533 ( 7507 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1431 -16.1428 -16.0353 -16.0348 -15.9710 -15.9705 -15.9577 -15.9575 -15.8607 -15.8607 -15.8525 -15.8524 -2.5947 -2.5916 0.1658 0.2285 1.9054 1.9414 2.2644 2.3066 2.4391 2.4619 2.5321 2.6977 2.9739 3.1662 3.3414 3.4455 3.5584 3.8090 4.1112 4.1758 4.2671 4.3288 4.8052 4.9811 5.4881 5.6910 5.8091 5.9171 6.9766 7.1149 7.6225 7.8129 8.0772 8.1459 9.4221 9.5668 10.5274 10.5457 11.3788 11.4112 12.1304 12.3810 k =-0.0770 0.0684 0.1686 ( 7511 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1431 -16.1429 -16.0354 -16.0349 -15.9711 -15.9705 -15.9578 -15.9576 -15.8607 -15.8607 -15.8525 -15.8524 -2.5733 -2.5699 0.1714 0.2399 1.9024 1.9442 2.2636 2.3101 2.4363 2.4609 2.5237 2.6957 2.9754 3.1893 3.3428 3.4401 3.5580 3.8212 4.1007 4.1733 4.2650 4.3280 4.8059 5.0072 5.4834 5.6986 5.8025 5.9198 6.9289 7.0748 7.5137 7.7098 7.9855 8.0363 9.3500 9.5149 10.5809 10.6035 11.4081 11.4401 12.1023 12.3573 k =-0.0840 0.0746 0.1840 ( 7519 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1432 -16.1429 -16.0355 -16.0350 -15.9711 -15.9705 -15.9579 -15.9576 -15.8608 -15.8608 -15.8526 -15.8524 -2.5501 -2.5465 0.1774 0.2514 1.8989 1.9470 2.2628 2.3137 2.4340 2.4598 2.5168 2.6941 2.9771 3.2122 3.3456 3.4333 3.5590 3.8333 4.0898 4.1705 4.2630 4.3267 4.8062 5.0344 5.4778 5.7008 5.7962 5.9204 6.8798 7.0327 7.4078 7.6088 7.8965 7.9268 9.2796 9.4545 10.6172 10.6712 11.4384 11.4712 12.0763 12.3340 k =-0.0911 0.0808 0.1993 ( 7517 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1432 -16.1429 -16.0356 -16.0350 -15.9711 -15.9705 -15.9580 -15.9577 -15.8609 -15.8609 -15.8526 -15.8525 -2.5252 -2.5215 0.1835 0.2629 1.8949 1.9497 2.2621 2.3172 2.4322 2.4587 2.5112 2.6928 2.9789 3.2346 3.3496 3.4259 3.5607 3.8453 4.0786 4.1676 4.2611 4.3249 4.8059 5.0626 5.4709 5.6950 5.7920 5.9182 6.8302 6.9906 7.3065 7.5104 7.8097 7.8170 9.2120 9.3886 10.6537 10.7300 11.4696 11.5045 12.0538 12.3131 k =-0.0981 0.0871 0.2146 ( 7517 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1433 -16.1430 -16.0357 -16.0351 -15.9711 -15.9705 -15.9580 -15.9577 -15.8610 -15.8609 -15.8526 -15.8525 -2.4987 -2.4948 0.1898 0.2743 1.8905 1.9524 2.2613 2.3206 2.4313 2.4575 2.5068 2.6922 2.9808 3.2564 3.3549 3.4184 3.5627 3.8573 4.0670 4.1645 4.2593 4.3227 4.8045 5.0912 5.4620 5.6788 5.7912 5.9131 6.7812 6.9503 7.2113 7.4154 7.7066 7.7249 9.1481 9.3199 10.6890 10.7796 11.5015 11.5401 12.0359 12.2968 k =-0.1051 0.0933 0.2300 ( 7509 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1433 -16.1430 -16.0358 -16.0352 -15.9711 -15.9705 -15.9581 -15.9578 -15.8611 -15.8610 -15.8526 -15.8525 -2.4707 -2.4667 0.1959 0.2852 1.8856 1.9550 2.2605 2.3239 2.4313 2.4564 2.5035 2.6923 2.9828 3.2771 3.3614 3.4114 3.5646 3.8692 4.0552 4.1613 4.2575 4.3202 4.8017 5.1197 5.4503 5.6517 5.7934 5.9048 6.7335 6.9138 7.1240 7.3246 7.5956 7.6407 9.0884 9.2505 10.7219 10.8201 11.5342 11.5778 12.0244 12.2868 k =-0.1121 0.0995 0.2453 ( 7513 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1434 -16.1430 -16.0360 -16.0353 -15.9711 -15.9705 -15.9582 -15.9578 -15.8611 -15.8611 -15.8527 -15.8525 -2.4413 -2.4373 0.2019 0.2956 1.8804 1.9576 2.2597 2.3270 2.4323 2.4553 2.5012 2.6932 2.9849 3.2962 3.3695 3.4051 3.5661 3.8810 4.0434 4.1580 4.2556 4.3174 4.7972 5.1476 5.4349 5.6146 5.7975 5.8935 6.6878 6.8824 7.0462 7.2392 7.4839 7.5562 9.0334 9.1823 10.7510 10.8517 11.5679 11.6174 12.0207 12.2847 k =-0.1191 0.1057 0.2606 ( 7515 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1434 -16.1431 -16.0361 -16.0354 -15.9711 -15.9705 -15.9583 -15.9579 -15.8612 -15.8612 -15.8527 -15.8526 -2.4106 -2.4065 0.2075 0.3052 1.8750 1.9601 2.2588 2.3299 2.4344 2.4544 2.4997 2.6951 2.9869 3.3129 3.3797 3.3998 3.5670 3.8927 4.0316 4.1547 4.2537 4.3146 4.7905 5.1740 5.4151 5.5686 5.8025 5.8799 6.6444 6.8566 6.9792 7.1605 7.3715 7.4706 8.9832 9.1169 10.7754 10.8748 11.6030 11.6588 12.0261 12.2917 k =-0.1261 0.1119 0.2760 ( 7517 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1435 -16.1431 -16.0362 -16.0355 -15.9711 -15.9705 -15.9584 -15.9580 -15.8613 -15.8612 -15.8528 -15.8526 -2.3788 -2.3747 0.2127 0.3138 1.8694 1.9626 2.2579 2.3326 2.4376 2.4536 2.4989 2.6980 2.9890 3.3265 3.3923 3.3957 3.5674 3.9042 4.0201 4.1513 4.2517 4.3117 4.7812 5.1982 5.3897 5.5148 5.8080 5.8650 6.6037 6.8363 6.9237 7.0900 7.2588 7.3831 8.9379 9.0554 10.7943 10.8903 11.6403 11.7016 12.0411 12.3086 k =-0.1331 0.1182 0.2913 ( 7529 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1435 -16.1432 -16.0364 -16.0356 -15.9711 -15.9706 -15.9585 -15.9580 -15.8614 -15.8613 -15.8528 -15.8527 -2.3459 -2.3419 0.2172 0.3213 1.8638 1.9652 2.2570 2.3351 2.4415 2.4531 2.4989 2.7018 2.9910 3.3362 3.3929 3.4075 3.5672 3.9155 4.0091 4.1480 4.2495 4.3089 4.7689 5.2192 5.3584 5.4547 5.8135 5.8501 6.5664 6.8207 6.8788 7.0292 7.1468 7.2934 8.8973 8.9984 10.8074 10.8990 11.6804 11.7457 12.0659 12.3355 k =-0.1401 0.1244 0.3066 ( 7525 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1436 -16.1432 -16.0365 -16.0357 -15.9711 -15.9706 -15.9586 -15.9581 -15.8615 -15.8614 -15.8528 -15.8527 -2.3122 -2.3082 0.2209 0.3275 1.8584 1.9678 2.2560 2.3374 2.4459 2.4529 2.4995 2.7065 2.9929 3.3423 3.3916 3.4247 3.5663 3.9262 3.9992 4.1447 4.2472 4.3062 4.7536 5.2360 5.3207 5.3899 5.8191 5.8362 6.5334 6.8082 6.8421 6.9797 7.0379 7.2017 8.8614 8.9464 10.8151 10.9025 11.7239 11.7908 12.1001 12.3723 k =-0.1471 0.1306 0.3220 ( 7529 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1436 -16.1433 -16.0366 -16.0358 -15.9711 -15.9706 -15.9587 -15.9581 -15.8616 -15.8615 -15.8529 -15.8527 -2.2778 -2.2739 0.2237 0.3321 1.8533 1.9706 2.2551 2.3395 2.4499 2.4539 2.5008 2.7122 2.9945 3.3449 3.3917 3.4430 3.5649 3.9361 3.9910 4.1414 4.2447 4.3039 4.7350 5.2462 5.2772 5.3231 5.8244 5.8249 6.5051 6.7969 6.8062 6.9383 6.9424 7.1093 8.8300 8.8997 10.8184 10.9022 11.7709 11.8368 12.1430 12.4184 k =-0.1541 0.1368 0.3373 ( 7521 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1436 -16.1433 -16.0367 -16.0359 -15.9711 -15.9706 -15.9587 -15.9582 -15.8617 -15.8615 -15.8529 -15.8528 -2.2428 -2.2390 0.2255 0.3351 1.8486 1.9737 2.2543 2.3413 2.4514 2.4576 2.5027 2.7189 2.9957 3.3443 3.3934 3.4615 3.5630 3.9441 3.9855 4.1383 4.2422 4.3021 4.7133 5.2283 5.2331 5.2722 5.8152 5.8311 6.4808 6.7524 6.7853 6.8682 6.9132 7.0212 8.8029 8.8584 10.8185 10.8996 11.8212 11.8834 12.1941 12.4731 k =-0.1611 0.1430 0.3526 ( 7517 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1437 -16.1434 -16.0368 -16.0360 -15.9711 -15.9707 -15.9588 -15.9582 -15.8617 -15.8616 -15.8529 -15.8528 -2.2074 -2.2038 0.2262 0.3363 1.8446 1.9771 2.2536 2.3430 2.4519 2.4624 2.5054 2.7263 2.9964 3.3405 3.3966 3.4794 3.5608 3.9491 3.9843 4.1353 4.2397 4.3008 4.6889 5.1702 5.1758 5.2639 5.8090 5.8380 6.4554 6.6762 6.7688 6.8357 6.8768 6.9574 8.7801 8.8226 10.8170 10.8961 11.8742 11.9306 12.2527 12.5352 k =-0.1681 0.1493 0.3679 ( 7517 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1437 -16.1434 -16.0369 -16.0361 -15.9710 -15.9707 -15.9589 -15.9582 -15.8618 -15.8617 -15.8529 -15.8528 -2.1719 -2.1685 0.2255 0.3356 1.8413 1.9810 2.2531 2.3443 2.4523 2.4669 2.5089 2.7346 2.9964 3.3333 3.4013 3.4961 3.5584 3.9505 3.9878 4.1325 4.2375 4.3002 4.6623 5.0993 5.1207 5.2577 5.8059 5.8458 6.4142 6.6115 6.7284 6.8205 6.8316 6.9381 8.7615 8.7921 10.8151 10.8930 11.9292 11.9782 12.3183 12.6040 k =-0.1751 0.1555 0.3833 ( 7517 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1437 -16.1435 -16.0370 -16.0362 -15.9710 -15.9708 -15.9589 -15.9583 -15.8619 -15.8617 -15.8529 -15.8528 -2.1363 -2.1331 0.2234 0.3328 1.8389 1.9855 2.2527 2.3453 2.4528 2.4708 2.5132 2.7435 2.9954 3.3225 3.4071 3.5112 3.5561 3.9501 3.9938 4.1300 4.2358 4.3005 4.6342 5.0286 5.0647 5.2469 5.8060 5.8552 6.3418 6.5841 6.6472 6.8113 6.8152 6.9412 8.7471 8.7670 10.8144 10.8917 11.9854 12.0259 12.3904 12.6782 k =-0.1821 0.1617 0.3986 ( 7521 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1438 -16.1435 -16.0371 -16.0363 -15.9710 -15.9709 -15.9590 -15.9583 -15.8620 -15.8618 -15.8530 -15.8529 -2.1009 -2.0980 0.2199 0.3278 1.8376 1.9906 2.2526 2.3460 2.4534 2.4739 2.5181 2.7532 2.9931 3.3079 3.4141 3.5242 3.5541 3.9498 4.0002 4.1276 4.2352 4.3019 4.6052 4.9595 5.0096 5.2315 5.8094 5.8662 6.2466 6.5480 6.5885 6.8040 6.8147 6.9559 8.7372 8.7474 10.8160 10.8929 12.0419 12.0736 12.4684 12.7571 k =-0.1891 0.1679 0.4139 ( 7517 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1438 -16.1436 -16.0372 -16.0364 -15.9710 -15.9709 -15.9590 -15.9583 -15.8621 -15.8618 -15.8530 -15.8529 -2.0658 -2.0633 0.2148 0.3207 1.8375 1.9964 2.2528 2.3464 2.4541 2.4762 2.5235 2.7634 2.9893 3.2896 3.4217 3.5351 3.5529 3.9501 4.0051 4.1255 4.2360 4.3043 4.5761 4.8930 4.9569 5.2122 5.8158 5.8793 6.1424 6.4432 6.6116 6.7965 6.8177 6.9812 8.7318 8.7333 10.8207 10.8974 12.0981 12.1209 12.5518 12.8395 k =-0.1961 0.1741 0.4293 ( 7517 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1438 -16.1436 -16.0373 -16.0365 -15.9710 -15.9710 -15.9591 -15.9583 -15.8621 -15.8619 -15.8530 -15.8529 -2.0313 -2.0291 0.2080 0.3112 1.8386 2.0030 2.2533 2.3463 2.4549 2.4778 2.5292 2.7743 2.9837 3.2675 3.4297 3.5438 3.5528 3.9510 4.0074 4.1238 4.2383 4.3081 4.5480 4.8298 4.9084 5.1903 5.8247 5.8945 6.0364 6.3362 6.6470 6.7877 6.8186 7.0174 8.7250 8.7312 10.8292 10.9059 12.1536 12.1677 12.6401 12.9245 k =-0.2031 0.1803 0.4446 ( 7519 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1439 -16.1437 -16.0374 -16.0366 -15.9710 -15.9709 -15.9591 -15.9584 -15.8622 -15.8619 -15.8530 -15.8529 -1.9976 -1.9958 0.1994 0.2995 1.8412 2.0103 2.2542 2.3458 2.4558 2.4789 2.5349 2.7856 2.9760 3.2418 3.4375 3.5504 3.5543 3.9521 4.0065 4.1224 4.2413 4.3132 4.5219 4.7704 4.8656 5.1670 5.8316 5.9119 5.9360 6.2288 6.6910 6.7775 6.8151 7.0644 8.7225 8.7356 10.8421 10.9187 12.2078 12.2137 12.7325 13.0112 k =-0.2101 0.1866 0.4599 ( 7523 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1439 -16.1437 -16.0375 -16.0367 -15.9711 -15.9709 -15.9592 -15.9584 -15.8623 -15.8620 -15.8530 -15.8530 -1.9649 -1.9635 0.1891 0.2855 1.8452 2.0185 2.2555 2.3447 2.4567 2.4794 2.5406 2.7975 2.9659 3.2130 3.4447 3.5549 3.5576 3.9529 4.0024 4.1214 4.2428 4.3197 4.4999 4.7152 4.8300 5.1434 5.7948 5.8841 5.9309 6.1224 6.7341 6.7731 6.8060 7.1214 8.7260 8.7453 10.8598 10.9361 12.2585 12.2604 12.8283 13.0984 k =-0.2171 0.1928 0.4753 ( 7531 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1439 -16.1438 -16.0375 -16.0368 -15.9712 -15.9709 -15.9592 -15.9584 -15.8623 -15.8620 -15.8531 -15.8530 -1.9333 -1.9323 0.1769 0.2692 1.8508 2.0274 2.2573 2.3431 2.4577 2.4797 2.5461 2.8099 2.9533 3.1814 3.4512 3.5575 3.5628 3.9524 3.9960 4.1209 4.2395 4.3276 4.4845 4.6645 4.8026 5.1205 5.7003 5.8959 5.9457 6.0238 6.7344 6.7911 6.8152 7.1870 8.7356 8.7603 10.8824 10.9583 12.3017 12.3110 12.9268 13.1852 k =-0.2241 0.1990 0.4906 ( 7531 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1439 -16.1438 -16.0376 -16.0369 -15.9713 -15.9709 -15.9593 -15.9584 -15.8624 -15.8620 -15.8531 -15.8530 -1.9030 -1.9025 0.1628 0.2507 1.8579 2.0369 2.2596 2.3409 2.4588 2.4798 2.5514 2.8229 2.9383 3.1479 3.4568 3.5583 3.5694 3.9495 3.9890 4.1210 4.2284 4.3368 4.4777 4.6186 4.7840 5.0994 5.5993 5.8934 5.9210 5.9966 6.7144 6.7705 6.8801 7.2603 8.7513 8.7809 10.9100 10.9853 12.3430 12.3592 13.0272 13.2703 k =-0.2311 0.2052 0.5059 ( 7535 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1439 -16.1439 -16.0377 -16.0370 -15.9713 -15.9708 -15.9593 -15.9584 -15.8624 -15.8621 -15.8531 -15.8531 -1.8743 -1.8743 0.1469 0.2300 1.8666 2.0469 2.2623 2.3381 2.4600 2.4797 2.5564 2.8365 2.9208 3.1129 3.4619 3.5572 3.5770 3.9427 3.9834 4.1217 4.2086 4.3471 4.4795 4.5778 4.7745 5.0807 5.4992 5.7936 5.9523 6.0219 6.6888 6.7443 6.9525 7.3401 8.7731 8.8071 10.9427 11.0170 12.3821 12.4047 13.1285 13.3528 k =-0.2381 0.2114 0.5213 ( 7531 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1439 -16.1439 -16.0377 -16.0371 -15.9714 -15.9708 -15.9593 -15.9583 -15.8625 -15.8621 -15.8531 -15.8531 -1.8478 -1.8473 0.1291 0.2072 1.8768 2.0571 2.2656 2.3346 2.4612 2.4795 2.5612 2.8507 2.9013 3.0772 3.4668 3.5543 3.5847 3.9320 3.9797 4.1231 4.1819 4.3584 4.4873 4.5422 4.7737 5.0648 5.4017 5.6914 5.9891 6.0553 6.6593 6.7127 7.0306 7.4257 8.8009 8.8389 10.9802 11.0534 12.4185 12.4470 13.2296 13.4316 k =-0.2451 0.2177 0.5366 ( 7539 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1439 -16.1439 -16.0378 -16.0371 -15.9715 -15.9708 -15.9593 -15.9583 -15.8625 -15.8621 -15.8531 -15.8531 -1.8231 -1.8220 0.1094 0.1823 1.8884 2.0674 2.2694 2.3304 2.4625 2.4794 2.5656 2.8653 2.8803 3.0418 3.4718 3.5496 3.5917 3.9189 3.9769 4.1253 4.1512 4.3703 4.4982 4.5119 4.7811 5.0522 5.3075 5.5906 6.0309 6.0939 6.6266 6.6763 7.1136 7.5166 8.8345 8.8762 11.0225 11.0942 12.4518 12.4859 13.3294 13.5059 k =-0.2521 0.2239 0.5519 ( 7545 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1440 -16.0378 -16.0372 -15.9716 -15.9707 -15.9593 -15.9583 -15.8625 -15.8621 -15.8532 -15.8531 -1.8004 -1.7988 0.0880 0.1556 1.9014 2.0775 2.2736 2.3256 2.4639 2.4792 2.5694 2.8584 2.8800 3.0079 3.4770 3.5430 3.5972 3.9046 3.9735 4.1194 4.1282 4.3826 4.4869 4.5102 4.7953 5.0427 5.2168 5.4921 6.0772 6.1375 6.5918 6.6353 7.2012 7.6120 8.8736 8.9188 11.0693 11.1393 12.4817 12.5208 13.4266 13.5753 k =-0.2591 0.2301 0.5673 ( 7545 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1439 -16.0378 -16.0373 -15.9716 -15.9707 -15.9593 -15.9583 -15.8625 -15.8621 -15.8532 -15.8532 -1.7797 -1.7776 0.0647 0.1271 1.9157 2.0870 2.2780 2.3203 2.4654 2.4791 2.5722 2.8367 2.8925 2.9782 3.4827 3.5348 3.6007 3.8900 3.9680 4.0894 4.1319 4.3950 4.4677 4.5220 4.8149 5.0360 5.1303 5.3968 6.1269 6.1865 6.5567 6.5902 7.2928 7.7117 8.9180 8.9666 11.1203 11.1882 12.5079 12.5514 13.5196 13.6396 k =-0.2662 0.2363 0.5826 ( 7545 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1439 -16.0379 -16.0373 -15.9717 -15.9707 -15.9593 -15.9583 -15.8625 -15.8621 -15.8532 -15.8532 -1.7613 -1.7585 0.0398 0.0969 1.9309 2.0959 2.2827 2.3144 2.4668 2.4789 2.5735 2.8164 2.8953 2.9611 3.4888 3.5250 3.6017 3.8757 3.9584 4.0639 4.1360 4.4067 4.4546 4.5335 4.8381 5.0312 5.0483 5.3060 6.1767 6.2411 6.5251 6.5415 7.3883 7.8151 8.9673 9.0193 11.1754 11.2407 12.5299 12.5773 13.6070 13.6988 k =-0.2732 0.2425 0.5979 ( 7545 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1439 -16.0379 -16.0374 -15.9717 -15.9706 -15.9593 -15.9582 -15.8625 -15.8621 -15.8532 -15.8532 -1.7450 -1.7416 0.0133 0.0653 1.9470 2.1039 2.2873 2.3082 2.4682 2.4788 2.5724 2.7989 2.8797 2.9657 3.4954 3.5138 3.6000 3.8620 3.9427 4.0453 4.1402 4.4160 4.4492 4.5448 4.8633 4.9713 5.0256 5.2225 6.2193 6.3017 6.4898 6.5051 7.4873 7.9220 9.0212 9.0766 11.2340 11.2963 12.5475 12.5980 13.6875 13.7531 k =-0.2802 0.2488 0.6132 ( 7551 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1439 -16.0379 -16.0374 -15.9718 -15.9706 -15.9593 -15.9582 -15.8625 -15.8620 -15.8532 -15.8532 -1.7310 -1.7270 -0.0148 0.0324 1.9636 2.1108 2.2915 2.3018 2.4695 2.4785 2.5678 2.7859 2.8548 2.9831 3.5016 3.5024 3.5957 3.8489 3.9211 4.0339 4.1442 4.4201 4.4537 4.5564 4.8874 4.9015 5.0121 5.1535 6.2406 6.3681 6.4359 6.5110 7.5896 8.0321 9.0793 9.1383 11.2958 11.3548 12.5605 12.6132 13.7598 13.8027 k =-0.2872 0.2550 0.6286 ( 7543 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1439 -16.0379 -16.0375 -15.9719 -15.9705 -15.9593 -15.9581 -15.8625 -15.8620 -15.8532 -15.8532 -1.7192 -1.7146 -0.0441 -0.0018 1.9805 2.1165 2.2951 2.2956 2.4706 2.4782 2.5592 2.7785 2.8287 3.0054 3.4887 3.5096 3.5891 3.8366 3.8956 4.0279 4.1477 4.4208 4.4655 4.5685 4.8326 4.9159 4.9771 5.1134 6.2314 6.3777 6.4432 6.5525 7.6949 8.1451 9.1415 9.2041 11.3604 11.4155 12.5688 12.6227 13.8228 13.8477 k =-0.2942 0.2612 0.6439 ( 7551 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1439 -16.0379 -16.0375 -15.9719 -15.9705 -15.9593 -15.9581 -15.8625 -15.8620 -15.8533 -15.8532 -1.7096 -1.7045 -0.0747 -0.0369 1.9973 2.1212 2.2890 2.2983 2.4715 2.4775 2.5466 2.7773 2.8039 3.0298 3.4755 3.5169 3.5806 3.8253 3.8684 4.0252 4.1505 4.4212 4.4798 4.5815 4.7727 4.9216 4.9407 5.1023 6.1990 6.3201 6.5227 6.6225 7.8030 8.2607 9.2072 9.2738 11.4273 11.4779 12.5723 12.6261 13.8690 13.8870 k =-0.3012 0.2674 0.6592 ( 7561 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1440 -16.1439 -16.0379 -16.0375 -15.9720 -15.9705 -15.9592 -15.9581 -15.8624 -15.8620 -15.8533 -15.8532 -1.7021 -1.6965 -0.1064 -0.0728 2.0136 2.1246 2.2829 2.3003 2.4722 2.4763 2.5309 2.7811 2.7819 3.0547 3.4622 3.5237 3.5711 3.8155 3.8409 4.0244 4.1523 4.4221 4.4926 4.5954 4.7192 4.8634 4.9643 5.1051 6.1545 6.2609 6.6094 6.7102 7.9136 8.3787 9.2763 9.3469 11.4959 11.5414 12.5710 12.6233 13.8533 13.9165 k =-0.3082 0.2736 0.6746 ( 7557 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1440 -16.1438 -16.0378 -16.0376 -15.9720 -15.9704 -15.9592 -15.9580 -15.8624 -15.8619 -15.8533 -15.8532 -1.6968 -1.6906 -0.1389 -0.1093 2.0291 2.1270 2.2774 2.3012 2.4725 2.4741 2.5139 2.7611 2.7908 3.0789 3.4493 3.5284 3.5624 3.8071 3.8143 4.0249 4.1534 4.4232 4.4984 4.6093 4.6738 4.8160 4.9864 5.1135 6.1037 6.2009 6.7027 6.8096 8.0267 8.4989 9.3483 9.4232 11.5656 11.6052 12.5649 12.6141 13.7951 13.9182 k =-0.3152 0.2798 0.6899 ( 7563 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1440 -16.1438 -16.0378 -16.0376 -15.9721 -15.9704 -15.9592 -15.9579 -15.8624 -15.8619 -15.8533 -15.8532 -1.6935 -1.6868 -0.1722 -0.1463 2.0433 2.1284 2.2727 2.3010 2.4684 2.4731 2.4988 2.7435 2.8036 3.1006 3.4370 3.5270 3.5590 3.7865 3.8033 4.0264 4.1536 4.4238 4.4901 4.6114 4.6486 4.7892 5.0069 5.1250 6.0496 6.1406 6.8027 6.9180 8.1419 8.6208 9.4230 9.5025 11.6355 11.6685 12.5543 12.5986 13.7306 13.8831 k =-0.3222 0.2861 0.7052 ( 7563 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1440 -16.1438 -16.0378 -16.0376 -15.9721 -15.9704 -15.9591 -15.9579 -15.8623 -15.8618 -15.8533 -15.8532 -1.6920 -1.6849 -0.2060 -0.1835 2.0558 2.1289 2.2691 2.2996 2.4571 2.4733 2.4893 2.7285 2.8192 3.1184 3.4256 3.5179 3.5628 3.7610 3.8018 4.0287 4.1530 4.4211 4.4660 4.5854 4.6602 4.7878 5.0258 5.1385 5.9939 6.0805 6.9090 7.0337 8.2591 8.7444 9.5002 9.5844 11.7047 11.7302 12.5393 12.5769 13.6648 13.8334 k =-0.3292 0.2923 0.7206 ( 7557 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1440 -16.1437 -16.0378 -16.0376 -15.9721 -15.9703 -15.9590 -15.9578 -15.8622 -15.8618 -15.8533 -15.8532 -1.6923 -1.6847 -0.2402 -0.2208 2.0662 2.1285 2.2668 2.2970 2.4411 2.4736 2.4851 2.7162 2.8366 3.1305 3.4153 3.5050 3.5701 3.7362 3.8048 4.0318 4.1515 4.4012 4.4443 4.5571 4.6829 4.8077 5.0434 5.1537 5.9374 6.0210 7.0215 7.1556 8.3779 8.8692 9.5794 9.6686 11.7719 11.7890 12.5202 12.5490 13.5993 13.7782 k =-0.3362 0.2985 0.7359 ( 7561 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1440 -16.1437 -16.0377 -16.0376 -15.9722 -15.9703 -15.9590 -15.9577 -15.8622 -15.8617 -15.8533 -15.8532 -1.6942 -1.6863 -0.2746 -0.2580 2.0741 2.1273 2.2659 2.2933 2.4240 2.4739 2.4831 2.7062 2.8553 3.1359 3.4061 3.4908 3.5788 3.7123 3.8127 4.0357 4.1488 4.3567 4.4397 4.5330 4.7105 4.8410 5.0597 5.1710 5.8810 5.9628 7.1399 7.2831 8.4982 8.9949 9.6603 9.7547 11.8355 11.8434 12.4973 12.5153 13.5351 13.7198 k =-0.3362 0.2985 0.7359 ( 7561 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1440 -16.1437 -16.0377 -16.0376 -15.9722 -15.9703 -15.9590 -15.9577 -15.8622 -15.8617 -15.8533 -15.8532 -1.6942 -1.6863 -0.2746 -0.2580 2.0741 2.1273 2.2659 2.2933 2.4240 2.4739 2.4831 2.7062 2.8553 3.1359 3.4061 3.4908 3.5788 3.7123 3.8127 4.0357 4.1488 4.3567 4.4397 4.5330 4.7105 4.8410 5.0597 5.1710 5.8810 5.9628 7.1399 7.2831 8.4982 8.9949 9.6603 9.7547 11.8355 11.8434 12.4973 12.5153 13.5351 13.7198 k =-0.3267 0.2900 0.7437 ( 7565 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1440 -16.1437 -16.0377 -16.0376 -15.9722 -15.9703 -15.9590 -15.9577 -15.8622 -15.8617 -15.8533 -15.8532 -1.6946 -1.6866 -0.2747 -0.2581 2.0738 2.1287 2.2655 2.2942 2.4241 2.4741 2.4834 2.7062 2.8556 3.1359 3.4056 3.4906 3.5793 3.7124 3.8128 4.0352 4.1480 4.3564 4.4393 4.5344 4.7109 4.8420 5.0575 5.1702 5.8847 5.9663 7.1368 7.2801 8.4964 8.9924 9.6602 9.7601 11.8373 11.8473 12.4835 12.5091 13.5276 13.7122 k =-0.3171 0.2816 0.7515 ( 7559 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1440 -16.1437 -16.0377 -16.0376 -15.9722 -15.9703 -15.9590 -15.9577 -15.8622 -15.8617 -15.8533 -15.8532 -1.6955 -1.6875 -0.2747 -0.2585 2.0731 2.1326 2.2643 2.2965 2.4243 2.4746 2.4843 2.7060 2.8563 3.1359 3.4042 3.4900 3.5809 3.7128 3.8131 4.0340 4.1456 4.3555 4.4381 4.5382 4.7122 4.8449 5.0512 5.1679 5.8959 5.9769 7.1277 7.2714 8.4911 8.9850 9.6609 9.7751 11.8436 11.8582 12.4478 12.4870 13.5071 13.6917 k =-0.3171 0.2816 0.7515 ( 7559 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1440 -16.1437 -16.0377 -16.0376 -15.9722 -15.9703 -15.9590 -15.9577 -15.8622 -15.8617 -15.8533 -15.8532 -1.6955 -1.6875 -0.2747 -0.2585 2.0731 2.1326 2.2643 2.2965 2.4243 2.4746 2.4843 2.7060 2.8563 3.1359 3.4042 3.4900 3.5809 3.7128 3.8131 4.0340 4.1456 4.3555 4.4381 4.5382 4.7122 4.8449 5.0512 5.1679 5.8959 5.9769 7.1277 7.2714 8.4911 8.9850 9.6609 9.7751 11.8436 11.8582 12.4478 12.4870 13.5071 13.6917 k =-0.3039 0.2698 0.7515 ( 7561 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1440 -16.1437 -16.0378 -16.0376 -15.9721 -15.9703 -15.9590 -15.9578 -15.8622 -15.8617 -15.8533 -15.8532 -1.6958 -1.6879 -0.2573 -0.2403 2.0689 2.1392 2.2628 2.3022 2.4336 2.4752 2.4864 2.7102 2.8483 3.1340 3.4060 3.4963 3.5794 3.7255 3.8090 4.0302 4.1430 4.3761 4.4388 4.5549 4.6995 4.8336 5.0341 5.1550 5.9419 6.0228 7.0514 7.1915 8.4201 8.9082 9.6230 9.7545 11.8245 11.8471 12.4075 12.4588 13.5106 13.6911 k =-0.2907 0.2581 0.7515 ( 7567 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1440 -16.1437 -16.0378 -16.0375 -15.9721 -15.9703 -15.9590 -15.9578 -15.8623 -15.8618 -15.8533 -15.8533 -1.6967 -1.6890 -0.2403 -0.2226 2.0648 2.1474 2.2611 2.3089 2.4434 2.4762 2.4889 2.7141 2.8419 3.1303 3.4068 3.5018 3.5795 3.7388 3.8065 4.0265 4.1384 4.3887 4.4440 4.5716 4.6901 4.8294 5.0159 5.1418 5.9930 6.0739 6.9716 7.1086 8.3460 8.8270 9.5904 9.7413 11.8097 11.8403 12.3517 12.4102 13.5098 13.6834 k =-0.2775 0.2464 0.7515 ( 7561 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1440 -16.1437 -16.0378 -16.0375 -15.9721 -15.9703 -15.9591 -15.9578 -15.8623 -15.8618 -15.8533 -15.8533 -1.6983 -1.6908 -0.2238 -0.2056 2.0611 2.1567 2.2593 2.3164 2.4537 2.4776 2.4917 2.7172 2.8378 3.1250 3.4063 3.5065 3.5815 3.7526 3.8057 4.0228 4.1323 4.3921 4.4538 4.5836 4.6879 4.8321 4.9983 5.1291 6.0478 6.1287 6.8890 7.0236 8.2687 8.7417 9.5637 9.7340 11.7994 11.8377 12.2839 12.3453 13.5060 13.6699 k =-0.2643 0.2346 0.7515 ( 7557 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1440 -16.1437 -16.0378 -16.0375 -15.9721 -15.9704 -15.9591 -15.9579 -15.8623 -15.8618 -15.8534 -15.8533 -1.7005 -1.6931 -0.2078 -0.1893 2.0580 2.1669 2.2574 2.3249 2.4643 2.4794 2.4947 2.7191 2.8365 3.1184 3.4046 3.5102 3.5854 3.7668 3.8065 4.0194 4.1250 4.3894 4.4645 4.5857 4.6980 4.8397 4.9835 5.1180 6.1051 6.1858 6.8049 6.9382 8.1884 8.6530 9.5433 9.7317 11.7933 11.8392 12.2082 12.2691 13.4987 13.6512 k =-0.2511 0.2229 0.7515 ( 7551 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1440 -16.1437 -16.0378 -16.0374 -15.9720 -15.9704 -15.9591 -15.9579 -15.8623 -15.8618 -15.8533 -15.8532 -1.7031 -1.6959 -0.1925 -0.1739 2.0555 2.1778 2.2555 2.3341 2.4752 2.4816 2.4979 2.7191 2.8386 3.1106 3.4017 3.5130 3.5910 3.7812 3.8092 4.0161 4.1167 4.3836 4.4732 4.5783 4.7195 4.8482 4.9747 5.1100 6.1629 6.2432 6.7208 6.8544 8.1054 8.5612 9.5288 9.7334 11.7909 11.8445 12.1286 12.1861 13.4869 13.6272 k =-0.2378 0.2112 0.7515 ( 7560 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1440 -16.1438 -16.0378 -16.0374 -15.9720 -15.9704 -15.9591 -15.9580 -15.8623 -15.8619 -15.8534 -15.8533 -1.7060 -1.6990 -0.1780 -0.1594 2.0539 2.1889 2.2538 2.3441 2.4830 2.4874 2.5012 2.7173 2.8443 3.1021 3.3976 3.5148 3.5982 3.7950 3.8145 4.0131 4.1078 4.3759 4.4789 4.5658 4.7465 4.8537 4.9744 5.1078 6.2181 6.2979 6.6397 6.7760 8.0201 8.4669 9.5195 9.7379 11.7910 11.8530 12.0487 12.1002 13.4696 13.5982 k =-0.2246 0.1994 0.7515 ( 7558 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1440 -16.1438 -16.0378 -16.0374 -15.9720 -15.9704 -15.9591 -15.9580 -15.8624 -15.8619 -15.8534 -15.8533 -1.7092 -1.7024 -0.1643 -0.1459 2.0531 2.1996 2.2527 2.3548 2.4857 2.4981 2.5051 2.7137 2.8534 3.0932 3.3924 3.5158 3.6069 3.8059 3.8242 4.0104 4.0984 4.3670 4.4817 4.5515 4.7714 4.8583 4.9805 5.1150 6.2634 6.3435 6.5680 6.7104 7.9329 8.3707 9.5147 9.7443 11.7909 11.8634 11.9736 12.0162 13.4461 13.5646 k =-0.2114 0.1877 0.7515 ( 7550 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1440 -16.1438 -16.0378 -16.0373 -15.9719 -15.9704 -15.9591 -15.9580 -15.8624 -15.8619 -15.8534 -15.8533 -1.7126 -1.7061 -0.1514 -0.1333 2.0531 2.2091 2.2529 2.3661 2.4882 2.5058 2.5125 2.7088 2.8655 3.0842 3.3864 3.5158 3.6169 3.8136 3.8388 4.0079 4.0889 4.3572 4.4820 4.5370 4.7836 4.8722 4.9877 5.1347 6.2822 6.3657 6.5234 6.6717 7.8443 8.2729 9.5133 9.7514 11.7835 11.8661 11.9146 11.9436 13.4159 13.5269 k =-0.1982 0.1760 0.7515 ( 7542 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1437 -16.0377 -16.0373 -15.9718 -15.9704 -15.9591 -15.9580 -15.8623 -15.8619 -15.8534 -15.8533 -1.7161 -1.7098 -0.1394 -0.1218 2.0540 2.2157 2.2558 2.3778 2.4907 2.5101 2.5237 2.7030 2.8801 3.0755 3.3796 3.5150 3.6279 3.8199 3.8558 4.0058 4.0794 4.3467 4.4801 4.5231 4.7802 4.8984 4.9945 5.1660 6.2581 6.3437 6.5311 6.6725 7.7551 8.1743 9.5143 9.7578 11.7552 11.8208 11.8946 11.9172 13.3788 13.4859 k =-0.1850 0.1642 0.7515 ( 7540 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1437 -16.0377 -16.0373 -15.9718 -15.9705 -15.9591 -15.9581 -15.8623 -15.8620 -15.8534 -15.8533 -1.7197 -1.7137 -0.1282 -0.1113 2.0557 2.2184 2.2622 2.3898 2.4930 2.5141 2.5353 2.6966 2.8967 3.0674 3.3722 3.5133 3.6398 3.8260 3.8739 4.0041 4.0700 4.3358 4.4765 4.5104 4.7691 4.9259 5.0057 5.2051 6.2024 6.2898 6.5754 6.7053 7.6660 8.0754 9.5166 9.7623 11.7087 11.7535 11.8927 11.9324 13.3350 13.4419 k =-0.1718 0.1525 0.7515 ( 7540 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1437 -16.0377 -16.0373 -15.9717 -15.9705 -15.9591 -15.9581 -15.8624 -15.8620 -15.8535 -15.8534 -1.7233 -1.7175 -0.1180 -0.1018 2.0582 2.2177 2.2716 2.4016 2.4954 2.5182 2.5468 2.6900 2.9147 3.0602 3.3645 3.5107 3.6525 3.8319 3.8928 4.0027 4.0609 4.3244 4.4712 4.4992 4.7557 4.9437 5.0289 5.2477 6.1355 6.2258 6.6318 6.7537 7.5783 7.9769 9.5191 9.7636 11.6605 11.6891 11.9052 11.9543 13.2847 13.3954 k =-0.1586 0.1408 0.7515 ( 7534 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1439 -16.1437 -16.0377 -16.0372 -15.9717 -15.9705 -15.9591 -15.9582 -15.8623 -15.8620 -15.8535 -15.8534 -1.7267 -1.7213 -0.1086 -0.0933 2.0614 2.2149 2.2824 2.4129 2.4981 2.5228 2.5578 2.6833 2.9339 3.0542 3.3566 3.5070 3.6659 3.8376 3.9118 4.0019 4.0523 4.3128 4.4647 4.4896 4.7423 4.9513 5.0626 5.2898 6.0681 6.1623 6.6907 6.8066 7.4941 7.8795 9.5206 9.7605 11.6185 11.6337 11.9243 11.9788 13.2283 13.3463 k =-0.1453 0.1291 0.7515 ( 7536 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1439 -16.1437 -16.0376 -16.0372 -15.9716 -15.9706 -15.9591 -15.9582 -15.8624 -15.8620 -15.8535 -15.8534 -1.7301 -1.7251 -0.1000 -0.0857 2.0653 2.2109 2.2938 2.4229 2.5015 2.5276 2.5683 2.6766 2.9535 3.0499 3.3488 3.5023 3.6798 3.8429 3.9305 4.0018 4.0444 4.3010 4.4573 4.4817 4.7303 4.9548 5.0990 5.3276 6.0056 6.1066 6.7469 6.8571 7.4166 7.7845 9.5203 9.7520 11.5815 11.5945 11.9470 12.0047 13.1662 13.2946 k =-0.1321 0.1173 0.7515 ( 7541 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1439 -16.1438 -16.0376 -16.0372 -15.9716 -15.9706 -15.9591 -15.9583 -15.8624 -15.8621 -15.8535 -15.8534 -1.7333 -1.7286 -0.0923 -0.0790 2.0699 2.2060 2.3052 2.4308 2.5064 2.5327 2.5779 2.6700 2.9731 3.0475 3.3414 3.4965 3.6940 3.8476 3.9481 4.0027 4.0376 4.2891 4.4496 4.4749 4.7206 4.9579 5.1318 5.3571 5.9514 6.0647 6.7950 6.8998 7.3516 7.6933 9.5175 9.7377 11.5491 11.5750 11.9715 12.0313 13.0988 13.2398 k =-0.1189 0.1056 0.7515 ( 7538 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1439 -16.1438 -16.0376 -16.0372 -15.9715 -15.9706 -15.9591 -15.9583 -15.8624 -15.8621 -15.8535 -15.8535 -1.7363 -1.7320 -0.0854 -0.0732 2.0750 2.2005 2.3165 2.4361 2.5130 2.5381 2.5865 2.6635 2.9916 3.0475 3.3347 3.4895 3.7086 3.8516 3.9629 4.0047 4.0332 4.2770 4.4424 4.4688 4.7138 4.9620 5.1559 5.3746 5.9088 6.0424 6.8257 6.9303 7.3076 7.6085 9.5117 9.7174 11.5278 11.5702 11.9966 12.0577 13.0271 13.1812 k =-0.1057 0.0939 0.7515 ( 7543 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1439 -16.1438 -16.0376 -16.0372 -15.9715 -15.9707 -15.9591 -15.9584 -15.8624 -15.8621 -15.8536 -15.8535 -1.7391 -1.7352 -0.0793 -0.0683 2.0807 2.1945 2.3275 2.4387 2.5213 2.5436 2.5939 2.6572 3.0079 3.0505 3.3292 3.4812 3.7232 3.8548 3.9733 4.0064 4.0342 4.2647 4.4361 4.4633 4.7107 4.9681 5.1666 5.3782 5.8816 6.0428 6.8251 6.9496 7.2918 7.5342 9.5032 9.6917 11.5194 11.5785 12.0210 12.0831 12.9521 13.1183 k =-0.0925 0.0821 0.7515 ( 7545 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1439 -16.1438 -16.0375 -16.0372 -15.9714 -15.9707 -15.9591 -15.9585 -15.8624 -15.8621 -15.8536 -15.8535 -1.7415 -1.7381 -0.0739 -0.0641 2.0868 2.1882 2.3382 2.4387 2.5310 2.5493 2.5999 2.6510 3.0209 3.0570 3.3253 3.4717 3.7379 3.8568 3.9791 4.0050 4.0433 4.2522 4.4309 4.4581 4.7120 4.9765 5.1612 5.3681 5.8735 6.0653 6.7889 6.9575 7.3015 7.4760 9.4924 9.6616 11.5238 11.5989 12.0432 12.1064 12.8760 13.0505 k =-0.0793 0.0704 0.7515 ( 7539 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1439 -16.1438 -16.0375 -16.0372 -15.9714 -15.9708 -15.9590 -15.9585 -15.8623 -15.8622 -15.8536 -15.8535 -1.7437 -1.7407 -0.0692 -0.0607 2.0933 2.1815 2.3485 2.4367 2.5412 2.5552 2.6045 2.6450 3.0308 3.0659 3.3238 3.4610 3.7524 3.8574 3.9821 4.0017 4.0577 4.2394 4.4270 4.4531 4.7184 4.9872 5.1404 5.3463 5.8860 6.1061 6.7282 6.9460 7.3258 7.4399 9.4804 9.6286 11.5406 11.6296 12.0615 12.1261 12.8018 12.9783 k =-0.0661 0.0587 0.7515 ( 7531 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1439 -16.1438 -16.0374 -16.0372 -15.9713 -15.9708 -15.9590 -15.9585 -15.8623 -15.8622 -15.8536 -15.8535 -1.7455 -1.7431 -0.0651 -0.0580 2.1001 2.1745 2.3584 2.4332 2.5513 2.5610 2.6077 2.6393 3.0390 3.0746 3.3252 3.4490 3.7667 3.8566 3.9837 3.9980 4.0740 4.2262 4.4244 4.4482 4.7302 5.0001 5.1083 5.3158 5.9175 6.1607 6.6546 6.9103 7.3553 7.4269 9.4684 9.5942 11.5685 11.6682 12.0738 12.1406 12.7335 12.9036 k =-0.0529 0.0469 0.7515 ( 7526 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1439 -16.1438 -16.0374 -16.0372 -15.9712 -15.9708 -15.9589 -15.9586 -15.8623 -15.8622 -15.8536 -15.8535 -1.7470 -1.7450 -0.0617 -0.0560 2.1072 2.1673 2.3680 2.4285 2.5605 2.5669 2.6095 2.6338 3.0468 3.0811 3.3298 3.4358 3.7805 3.8542 3.9846 3.9947 4.0907 4.2126 4.4230 4.4435 4.7480 5.0117 5.0727 5.2799 5.9643 6.2248 6.5751 6.8538 7.3846 7.4306 9.4582 9.5604 11.6058 11.7111 12.0784 12.1477 12.6760 12.8296 k =-0.0396 0.0352 0.7515 ( 7522 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1438 -16.1438 -16.0373 -16.0372 -15.9712 -15.9708 -15.9589 -15.9586 -15.8623 -15.8622 -15.8536 -15.8535 -1.7481 -1.7466 -0.0589 -0.0546 2.1145 2.1599 2.3771 2.4230 2.5682 2.5728 2.6104 2.6286 3.0546 3.0844 3.3378 3.4217 3.7937 3.8500 3.9852 3.9919 4.1073 4.1987 4.4227 4.4390 4.7717 5.0012 5.0585 5.2416 6.0227 6.2947 6.4942 6.7838 7.4108 7.4416 9.4511 9.5287 11.6500 11.7530 12.0756 12.1454 12.6344 12.7607 k =-0.0264 0.0235 0.7515 ( 7524 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1438 -16.1438 -16.0373 -16.0372 -15.9711 -15.9709 -15.9589 -15.9587 -15.8623 -15.8622 -15.8536 -15.8536 -1.7489 -1.7479 -0.0567 -0.0539 2.1220 2.1524 2.3859 2.4166 2.5742 2.5780 2.6110 2.6236 3.0625 3.0845 3.3486 3.4068 3.8060 3.8442 3.9858 3.9898 4.1236 4.1844 4.4235 4.4349 4.8012 4.9620 5.0754 5.2033 6.0894 6.3566 6.4257 6.7061 7.4325 7.4522 9.4487 9.5010 11.6977 11.7851 12.0704 12.1327 12.6116 12.7013 k =-0.0132 0.0117 0.7515 ( 7522 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1438 -16.1438 -16.0373 -16.0372 -15.9710 -15.9709 -15.9588 -15.9587 -15.8623 -15.8622 -15.8536 -15.8536 -1.7492 -1.7487 -0.0552 -0.0537 2.1296 2.1448 2.3943 2.4097 2.5786 2.5810 2.6123 2.6190 3.0700 3.0817 3.3617 3.3915 3.8175 3.8367 3.9864 3.9883 4.1394 4.1698 4.4253 4.4311 4.8360 4.9180 5.1016 5.1665 6.1620 6.3156 6.4643 6.6249 7.4482 7.4580 9.4522 9.4784 11.7438 11.7961 12.0726 12.1117 12.6083 12.6547 k = 0.0000 0.0000 0.7515 ( 7518 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1438 -16.1438 -16.0372 -16.0372 -15.9710 -15.9710 -15.9588 -15.9588 -15.8622 -15.8622 -15.8536 -15.8536 -1.7492 -1.7492 -0.0541 -0.0541 2.1372 2.1372 2.4022 2.4022 2.5811 2.5811 2.6151 2.6151 3.0766 3.0766 3.3762 3.3762 3.8278 3.8278 3.9872 3.9872 4.1548 4.1548 4.4278 4.4278 4.8753 4.8753 5.1323 5.1323 6.2385 6.2385 6.5430 6.5430 7.4568 7.4568 9.4620 9.4620 11.7801 11.7801 12.0883 12.0883 12.6232 12.6232 k = 0.0000 0.0000 0.7515 ( 7518 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1438 -16.1438 -16.0372 -16.0372 -15.9710 -15.9710 -15.9588 -15.9588 -15.8622 -15.8622 -15.8536 -15.8536 -1.7492 -1.7492 -0.0541 -0.0541 2.1372 2.1372 2.4022 2.4022 2.5811 2.5811 2.6151 2.6151 3.0766 3.0766 3.3762 3.3762 3.8278 3.8278 3.9872 3.9872 4.1548 4.1548 4.4278 4.4278 4.8753 4.8753 5.1323 5.1323 6.2385 6.2385 6.5430 6.5430 7.4568 7.4568 9.4620 9.4620 11.7801 11.7801 12.0883 12.0883 12.6232 12.6232 k = 0.0119 0.0134 0.7515 ( 7526 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1438 -16.1438 -16.0373 -16.0372 -15.9710 -15.9710 -15.9588 -15.9588 -15.8623 -15.8622 -15.8536 -15.8536 -1.7493 -1.7490 -0.0551 -0.0531 2.1357 2.1399 2.3988 2.4064 2.5797 2.5822 2.6096 2.6213 3.0661 3.0856 3.3669 3.3853 3.8230 3.8324 3.9819 3.9928 4.1528 4.1557 4.4173 4.4372 4.8650 4.8780 5.1250 5.1331 6.2375 6.2523 6.5460 6.5515 7.4538 7.4606 9.4610 9.4637 11.7516 11.7970 12.0716 12.0917 12.5989 12.6436 k = 0.0238 0.0268 0.7515 ( 7530 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1438 -16.1438 -16.0374 -16.0372 -15.9711 -15.9709 -15.9588 -15.9588 -15.8623 -15.8622 -15.8536 -15.8536 -1.7494 -1.7488 -0.0559 -0.0520 2.1356 2.1438 2.3961 2.4111 2.5778 2.5830 2.6050 2.6281 3.0543 3.0930 3.3571 3.3939 3.8181 3.8369 3.9770 3.9986 4.1495 4.1557 4.4057 4.4456 4.8486 4.8721 5.1108 5.1283 6.2489 6.2786 6.5597 6.5717 7.4517 7.4650 9.4606 9.4658 11.7130 11.8012 12.0418 12.0818 12.5726 12.6573 k = 0.0357 0.0402 0.7515 ( 7540 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1439 -16.1438 -16.0374 -16.0372 -15.9712 -15.9709 -15.9588 -15.9588 -15.8623 -15.8622 -15.8536 -15.8536 -1.7495 -1.7485 -0.0566 -0.0507 2.1369 2.1488 2.3944 2.4165 2.5753 2.5838 2.6013 2.6355 3.0414 3.0988 3.3470 3.4021 3.8128 3.8415 3.9725 4.0047 4.1448 4.1548 4.3929 4.4530 4.8282 4.8574 5.0899 5.1187 6.2719 6.3165 6.5829 6.6033 7.4507 7.4699 9.4608 9.4684 11.6663 11.7925 12.0002 12.0596 12.5445 12.6608 k = 0.0476 0.0536 0.7515 ( 7542 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1439 -16.1438 -16.0375 -16.0371 -15.9712 -15.9709 -15.9588 -15.9588 -15.8623 -15.8622 -15.8536 -15.8536 -1.7495 -1.7482 -0.0572 -0.0494 2.1396 2.1547 2.3937 2.4222 2.5720 2.5846 2.5987 2.6433 3.0276 3.1026 3.3366 3.4099 3.8071 3.8461 3.9684 4.0108 4.1387 4.1533 4.3790 4.4594 4.8055 4.8349 5.0633 5.1051 6.3054 6.3644 6.6144 6.6454 7.4509 7.4753 9.4616 9.4712 11.6137 11.7715 11.9486 12.0262 12.5137 12.6515 k = 0.0595 0.0670 0.7515 ( 7532 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1439 -16.1438 -16.0375 -16.0371 -15.9712 -15.9708 -15.9588 -15.9587 -15.8623 -15.8622 -15.8536 -15.8535 -1.7495 -1.7479 -0.0576 -0.0480 2.1438 2.1614 2.3941 2.4283 2.5682 2.5856 2.5970 2.6515 3.0128 3.1045 3.3258 3.4172 3.8010 3.8508 3.9647 4.0170 4.1311 4.1513 4.3642 4.4648 4.7820 4.8061 5.0322 5.0881 6.3480 6.4204 6.6527 6.6968 7.4527 7.4811 9.4627 9.4739 11.5570 11.7394 11.8894 11.9830 12.4784 12.6278 k = 0.0714 0.0804 0.7515 ( 7538 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1439 -16.1438 -16.0375 -16.0371 -15.9713 -15.9708 -15.9589 -15.9587 -15.8623 -15.8622 -15.8536 -15.8535 -1.7494 -1.7475 -0.0580 -0.0465 2.1493 2.1686 2.3957 2.4344 2.5640 2.5868 2.5959 2.6600 2.9975 3.1042 3.3148 3.4241 3.7942 3.8557 3.9613 4.0231 4.1221 4.1490 4.3487 4.4691 4.7589 4.7731 4.9979 5.0680 6.3981 6.4826 6.6968 6.7562 7.4562 7.4871 9.4641 9.4762 11.4983 11.6974 11.8250 11.9316 12.4371 12.5896 k = 0.0833 0.0939 0.7515 ( 7536 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1439 -16.1438 -16.0376 -16.0370 -15.9713 -15.9708 -15.9589 -15.9587 -15.8623 -15.8622 -15.8537 -15.8535 -1.7493 -1.7472 -0.0582 -0.0451 2.1563 2.1762 2.3987 2.4406 2.5595 2.5883 2.5955 2.6688 2.9818 3.1016 3.3034 3.4306 3.7869 3.8606 3.9582 4.0290 4.1117 4.1465 4.3328 4.4722 4.7366 4.7384 4.9617 5.0454 6.4543 6.5487 6.7459 6.8219 7.4618 7.4936 9.4655 9.4778 11.4392 11.6469 11.7576 11.8733 12.3890 12.5380 k = 0.0952 0.1073 0.7515 ( 7536 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1439 -16.1438 -16.0376 -16.0370 -15.9713 -15.9707 -15.9589 -15.9587 -15.8623 -15.8622 -15.8537 -15.8535 -1.7492 -1.7468 -0.0584 -0.0435 2.1648 2.1838 2.4029 2.4465 2.5548 2.5903 2.5956 2.6778 2.9658 3.0965 3.2918 3.4366 3.7788 3.8658 3.9554 4.0344 4.1003 4.1441 4.3169 4.4735 4.7022 4.7175 4.9249 5.0208 6.5151 6.6160 6.7993 6.8926 7.4698 7.5003 9.4666 9.4783 11.3812 11.5891 11.6895 11.8098 12.3344 12.4749 k = 0.1071 0.1207 0.7515 ( 7540 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1439 -16.1438 -16.0377 -16.0370 -15.9713 -15.9707 -15.9589 -15.9587 -15.8623 -15.8622 -15.8537 -15.8535 -1.7491 -1.7464 -0.0585 -0.0420 2.1745 2.1913 2.4086 2.4518 2.5500 2.5927 2.5964 2.6868 2.9499 3.0888 3.2800 3.4421 3.7701 3.8711 3.9527 4.0393 4.0881 4.1420 4.3012 4.4725 4.6686 4.6997 4.8885 4.9948 6.5789 6.6818 6.8571 6.9669 7.4805 7.5073 9.4671 9.4771 11.3258 11.5254 11.6221 11.7426 12.2742 12.4028 k = 0.1190 0.1341 0.7515 ( 7542 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1439 -16.1438 -16.0377 -16.0370 -15.9714 -15.9707 -15.9589 -15.9587 -15.8623 -15.8622 -15.8537 -15.8535 -1.7489 -1.7460 -0.0585 -0.0405 2.1856 2.1984 2.4156 2.4562 2.5452 2.5955 2.5982 2.6960 2.9343 3.0784 3.2681 3.4472 3.7607 3.8765 3.9503 4.0433 4.0758 4.1403 4.2860 4.4679 4.6392 4.6841 4.8534 4.9679 6.6442 6.7432 6.9196 7.0434 7.4940 7.5146 9.4667 9.4740 11.2742 11.4579 11.5562 11.6731 12.2101 12.3240 k = 0.1310 0.1475 0.7515 ( 7548 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1439 -16.1438 -16.0378 -16.0370 -15.9714 -15.9706 -15.9589 -15.9587 -15.8624 -15.8622 -15.8537 -15.8535 -1.7488 -1.7456 -0.0585 -0.0391 2.1980 2.2049 2.4238 2.4593 2.5405 2.5979 2.6020 2.7051 2.9192 3.0652 3.2562 3.4519 3.7510 3.8820 3.9481 4.0466 4.0636 4.1391 4.2716 4.4588 4.6159 4.6705 4.8202 4.9408 6.7096 6.7982 6.9864 7.1208 7.5104 7.5223 9.4651 9.4684 11.2277 11.3889 11.4922 11.6027 12.1439 12.2410 k = 0.1429 0.1609 0.7515 ( 7550 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1439 -16.1438 -16.0378 -16.0369 -15.9714 -15.9706 -15.9589 -15.9587 -15.8624 -15.8622 -15.8537 -15.8535 -1.7486 -1.7452 -0.0584 -0.0377 2.2106 2.2117 2.4328 2.4606 2.5361 2.6003 2.6077 2.7142 2.9048 3.0493 3.2444 3.4562 3.7411 3.8876 3.9460 4.0487 4.0520 4.1384 4.2580 4.4447 4.5999 4.6589 4.7896 4.9138 6.7737 6.8456 7.0565 7.1977 7.5296 7.5303 9.4602 9.4620 11.1872 11.3207 11.4302 11.5330 12.0775 12.1560 k = 0.1548 0.1743 0.7515 ( 7542 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1439 -16.1438 -16.0378 -16.0369 -15.9714 -15.9706 -15.9589 -15.9587 -15.8623 -15.8621 -15.8537 -15.8535 -1.7485 -1.7449 -0.0583 -0.0364 2.2159 2.2261 2.4423 2.4595 2.5324 2.6031 2.6152 2.7231 2.8915 3.0308 3.2329 3.4601 3.7312 3.8931 3.9442 4.0407 4.0505 4.1382 4.2454 4.4266 4.5908 4.6491 4.7618 4.8876 6.8350 6.8855 7.1278 7.2727 7.5389 7.5510 9.4493 9.4572 11.1534 11.2553 11.3708 11.4655 12.0130 12.0711 k = 0.1667 0.1877 0.7515 ( 7546 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1439 -16.1438 -16.0379 -16.0369 -15.9715 -15.9705 -15.9590 -15.9587 -15.8624 -15.8621 -15.8537 -15.8535 -1.7483 -1.7445 -0.0581 -0.0352 2.2202 2.2417 2.4516 2.4556 2.5295 2.6064 2.6245 2.7319 2.8795 3.0097 3.2219 3.4637 3.7217 3.8985 3.9428 4.0305 4.0512 4.1382 4.2339 4.4067 4.5870 4.6408 4.7371 4.8624 6.8922 6.9183 7.1983 7.3443 7.5480 7.5740 9.4359 9.4508 11.1269 11.1946 11.3146 11.4017 11.9520 11.9884 k = 0.1786 0.2011 0.7515 ( 7548 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1439 -16.1438 -16.0379 -16.0369 -15.9715 -15.9705 -15.9590 -15.9587 -15.8624 -15.8621 -15.8537 -15.8535 -1.7482 -1.7442 -0.0580 -0.0341 2.2238 2.2581 2.4490 2.4604 2.5274 2.6099 2.6358 2.7407 2.8688 2.9866 3.2116 3.4669 3.7129 3.9037 3.9417 4.0212 4.0515 4.1382 4.2238 4.3870 4.5868 4.6340 4.7157 4.8389 6.9439 6.9452 7.2655 7.4105 7.5579 7.5975 9.4205 9.4428 11.1075 11.1398 11.2625 11.3432 11.8960 11.9095 k = 0.1905 0.2145 0.7515 ( 7542 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1439 -16.1438 -16.0379 -16.0369 -15.9715 -15.9705 -15.9590 -15.9587 -15.8623 -15.8621 -15.8537 -15.8535 -1.7480 -1.7440 -0.0578 -0.0331 2.2267 2.2752 2.4396 2.4681 2.5261 2.6135 2.6487 2.7497 2.8597 2.9618 3.2022 3.4697 3.7050 3.9085 3.9411 4.0128 4.0515 4.1381 4.2150 4.3690 4.5889 4.6284 4.6977 4.8173 6.9659 6.9897 7.3274 7.4690 7.5692 7.6201 9.4041 9.4337 11.0921 11.0949 11.2157 11.2914 11.8366 11.8464 k = 0.2024 0.2279 0.7515 ( 7546 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1438 -16.0379 -16.0369 -15.9715 -15.9705 -15.9590 -15.9587 -15.8624 -15.8621 -15.8537 -15.8535 -1.7479 -1.7438 -0.0577 -0.0323 2.2290 2.2929 2.4280 2.4745 2.5254 2.6169 2.6624 2.7592 2.8522 2.9358 3.1941 3.4722 3.6983 3.9127 3.9409 4.0054 4.0514 4.1376 4.2078 4.3537 4.5923 4.6241 4.6829 4.7982 6.9821 7.0279 7.3819 7.5159 7.5837 7.6408 9.3878 9.4242 11.0526 11.0876 11.1751 11.2480 11.7715 11.8044 k = 0.2143 0.2413 0.7515 ( 7550 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1438 -16.0379 -16.0369 -15.9715 -15.9705 -15.9590 -15.9587 -15.8624 -15.8621 -15.8537 -15.8535 -1.7478 -1.7436 -0.0576 -0.0317 2.2307 2.3109 2.4144 2.4794 2.5250 2.6199 2.6758 2.7701 2.8463 2.9095 3.1874 3.4741 3.6929 3.9162 3.9410 3.9991 4.0514 4.1368 4.2021 4.3417 4.5961 4.6209 4.6715 4.7822 6.9940 7.0581 7.4270 7.5466 7.6038 7.6581 9.3730 9.4153 11.0216 11.0841 11.1420 11.2143 11.7167 11.7707 k = 0.2262 0.2548 0.7515 ( 7554 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1438 -16.0380 -16.0369 -15.9715 -15.9705 -15.9590 -15.9587 -15.8624 -15.8621 -15.8537 -15.8535 -1.7477 -1.7434 -0.0575 -0.0312 2.2319 2.3290 2.3993 2.4829 2.5248 2.6222 2.6870 2.7829 2.8422 2.8841 3.1824 3.4756 3.6890 3.9188 3.9414 3.9943 4.0514 4.1360 4.1981 4.3331 4.5997 4.6186 4.6634 4.7700 7.0022 7.0800 7.4609 7.5624 7.6263 7.6711 9.3611 9.4079 10.9994 11.0823 11.1174 11.1914 11.6746 11.7462 k = 0.2381 0.2682 0.7515 ( 7548 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1438 -16.0380 -16.0368 -15.9715 -15.9705 -15.9590 -15.9587 -15.8624 -15.8621 -15.8537 -15.8535 -1.7477 -1.7434 -0.0575 -0.0310 2.2326 2.3469 2.3832 2.4850 2.5247 2.6237 2.6944 2.7968 2.8396 2.8620 3.1794 3.4765 3.6866 3.9204 3.9418 3.9911 4.0514 4.1353 4.1956 4.3279 4.6023 4.6173 4.6585 4.7622 7.0069 7.0931 7.4820 7.5697 7.6427 7.6792 9.3534 9.4030 10.9861 11.0812 11.1023 11.1787 11.6479 11.7312 k = 0.2500 0.2816 0.7515 ( 7552 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1438 -16.0380 -16.0369 -15.9715 -15.9705 -15.9590 -15.9587 -15.8624 -15.8621 -15.8538 -15.8535 -1.7477 -1.7433 -0.0574 -0.0309 2.2328 2.3604 2.3702 2.4857 2.5246 2.6242 2.6969 2.8048 2.8387 2.8512 3.1784 3.4768 3.6858 3.9209 3.9420 3.9900 4.0514 4.1350 4.1948 4.3262 4.6032 4.6169 4.6569 4.7596 7.0085 7.0975 7.4892 7.5719 7.6486 7.6820 9.3508 9.4012 10.9816 11.0807 11.0971 11.1748 11.6388 11.7262 k = 0.2500 0.2816 0.7515 ( 7552 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1438 -16.0380 -16.0369 -15.9715 -15.9705 -15.9590 -15.9587 -15.8624 -15.8621 -15.8538 -15.8535 -1.7477 -1.7433 -0.0574 -0.0309 2.2328 2.3604 2.3702 2.4857 2.5246 2.6242 2.6969 2.8048 2.8387 2.8512 3.1784 3.4768 3.6858 3.9209 3.9420 3.9900 4.0514 4.1350 4.1948 4.3262 4.6032 4.6169 4.6569 4.7596 7.0085 7.0975 7.4892 7.5719 7.6486 7.6820 9.3508 9.4012 10.9816 11.0807 11.0971 11.1748 11.6388 11.7262 k = 0.2386 0.2917 0.7422 ( 7548 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1438 -16.0380 -16.0368 -15.9715 -15.9705 -15.9590 -15.9587 -15.8624 -15.8621 -15.8537 -15.8535 -1.7480 -1.7436 -0.0566 -0.0301 2.2322 2.3598 2.3701 2.4848 2.5245 2.6238 2.6951 2.8004 2.8417 2.8512 3.1800 3.4793 3.6856 3.9151 3.9471 3.9888 4.0538 4.1351 4.1947 4.3257 4.6013 4.6223 4.6590 4.7616 7.0024 7.0919 7.4583 7.5864 7.6219 7.7259 9.3565 9.4077 10.9649 11.0398 11.1361 11.1935 11.6209 11.7075 k = 0.2273 0.3017 0.7329 ( 7548 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1438 -16.0380 -16.0369 -15.9715 -15.9705 -15.9590 -15.9587 -15.8624 -15.8621 -15.8537 -15.8535 -1.7488 -1.7445 -0.0541 -0.0277 2.2301 2.3578 2.3698 2.4821 2.5240 2.6225 2.6898 2.7901 2.8476 2.8514 3.1848 3.4867 3.6850 3.9040 3.9551 3.9868 4.0601 4.1354 4.1942 4.3245 4.5997 4.6335 4.6662 4.7677 6.9845 7.0754 7.4048 7.5405 7.6651 7.7842 9.3732 9.4267 10.9260 10.9904 11.1805 11.2367 11.5748 11.6566 k = 0.2159 0.3118 0.7236 ( 7546 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1438 -16.0380 -16.0369 -15.9715 -15.9705 -15.9590 -15.9587 -15.8623 -15.8621 -15.8537 -15.8535 -1.7501 -1.7459 -0.0500 -0.0239 2.2267 2.3543 2.3694 2.4777 2.5229 2.6204 2.6814 2.7773 2.8503 2.8549 3.1925 3.4983 3.6839 3.8919 3.9590 3.9886 4.0686 4.1358 4.1935 4.3229 4.5999 4.6463 4.6800 4.7786 6.9556 7.0493 7.3474 7.4839 7.7228 7.8437 9.3994 9.4565 10.8783 10.9403 11.2197 11.2896 11.5181 11.5857 k = 0.2045 0.3219 0.7143 ( 7546 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1438 -16.0380 -16.0369 -15.9715 -15.9705 -15.9590 -15.9587 -15.8624 -15.8621 -15.8537 -15.8534 -1.7520 -1.7478 -0.0444 -0.0186 2.2220 2.3492 2.3688 2.4720 2.5210 2.6176 2.6707 2.7633 2.8505 2.8601 3.2030 3.5133 3.6824 3.8795 3.9568 3.9962 4.0778 4.1366 4.1925 4.3215 4.6016 4.6586 4.7014 4.7950 6.9171 7.0148 7.2890 7.4265 7.7823 7.9034 9.4330 9.4946 10.8275 10.8897 11.2420 11.3462 11.4722 11.5100 k = 0.1932 0.3320 0.7051 ( 7540 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1438 -16.0379 -16.0369 -15.9715 -15.9705 -15.9590 -15.9587 -15.8623 -15.8621 -15.8537 -15.8534 -1.7543 -1.7502 -0.0373 -0.0120 2.2162 2.3424 2.3681 2.4650 2.5182 2.6142 2.6587 2.7489 2.8508 2.8646 3.2158 3.5305 3.6805 3.8672 3.9517 4.0068 4.0864 4.1378 4.1916 4.3208 4.6042 4.6706 4.7292 4.8179 6.8707 6.9735 7.2304 7.3690 7.8420 7.9628 9.4709 9.5377 10.7760 10.8385 11.2326 11.3940 11.4309 11.4798 k = 0.1818 0.3421 0.6958 ( 7546 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1438 -16.0379 -16.0369 -15.9715 -15.9705 -15.9590 -15.9587 -15.8624 -15.8621 -15.8536 -15.8534 -1.7570 -1.7530 -0.0290 -0.0043 2.2091 2.3339 2.3671 2.4571 2.5144 2.6104 2.6462 2.7344 2.8513 2.8683 3.2306 3.5491 3.6782 3.8551 3.9462 4.0185 4.0930 4.1396 4.1914 4.3211 4.6074 4.6822 4.7622 4.8479 6.8181 6.9266 7.1719 7.3117 7.9015 8.0215 9.5090 9.5819 10.7260 10.7867 11.2001 11.3439 11.4732 11.5096 k = 0.1705 0.3522 0.6865 ( 7546 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1438 -16.0379 -16.0369 -15.9715 -15.9706 -15.9590 -15.9587 -15.8624 -15.8622 -15.8536 -15.8534 -1.7600 -1.7561 -0.0195 0.0046 2.2011 2.3234 2.3660 2.4485 2.5097 2.6061 2.6343 2.7200 2.8520 2.8714 3.2467 3.5680 3.6755 3.8435 3.9410 4.0303 4.0968 4.1419 4.1927 4.3224 4.6113 4.6932 4.8000 4.8852 6.7608 6.8753 7.1140 7.2547 7.9600 8.0792 9.5430 9.6225 10.6793 10.7353 11.1666 11.2864 11.5352 11.5602 k = 0.1591 0.3623 0.6772 ( 7546 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1438 -16.0379 -16.0370 -15.9715 -15.9706 -15.9590 -15.9587 -15.8624 -15.8622 -15.8536 -15.8533 -1.7633 -1.7595 -0.0090 0.0142 2.1921 2.3111 2.3645 2.4393 2.5043 2.6012 2.6236 2.7061 2.8531 2.8739 3.2640 3.5864 3.6727 3.8323 3.9364 4.0420 4.0972 4.1445 4.1961 4.3246 4.6158 4.7033 4.8425 4.9292 6.7002 6.8205 7.0573 7.1982 8.0173 8.1355 9.5682 9.6546 10.6378 10.6861 11.1448 11.2452 11.5997 11.6200 k = 0.1477 0.3724 0.6679 ( 7546 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1438 -16.0379 -16.0370 -15.9714 -15.9706 -15.9590 -15.9587 -15.8624 -15.8622 -15.8535 -15.8533 -1.7668 -1.7632 0.0022 0.0246 2.1825 2.2969 2.3628 2.4300 2.4986 2.5952 2.6150 2.6929 2.8544 2.8760 3.2819 3.6029 3.6701 3.8218 3.9327 4.0534 4.0944 4.1471 4.2020 4.3274 4.6212 4.7124 4.8897 4.9790 6.6373 6.7630 7.0022 7.1425 8.0729 8.1900 9.5809 9.6741 10.6022 10.6414 11.1401 11.2251 11.6662 11.6845 k = 0.1364 0.3825 0.6586 ( 7554 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1439 -16.0379 -16.0371 -15.9714 -15.9706 -15.9591 -15.9587 -15.8624 -15.8622 -15.8535 -15.8533 -1.7703 -1.7669 0.0141 0.0354 2.1723 2.2811 2.3608 2.4206 2.4930 2.5877 2.6088 2.6807 2.8559 2.8778 3.3002 3.6161 3.6692 3.8121 3.9298 4.0640 4.0894 4.1494 4.2100 4.3305 4.6276 4.7206 4.9412 5.0340 6.5731 6.7034 6.9492 7.0879 8.1265 8.2423 9.5790 9.6780 10.5715 10.6038 11.1548 11.2290 11.7348 11.7516 k = 0.1250 0.3926 0.6494 ( 7544 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1439 -16.0379 -16.0371 -15.9714 -15.9707 -15.9590 -15.9587 -15.8623 -15.8622 -15.8535 -15.8533 -1.7740 -1.7708 0.0263 0.0464 2.1620 2.2640 2.3586 2.4115 2.4879 2.5791 2.6048 2.6695 2.8577 2.8793 3.3187 3.6235 3.6717 3.8033 3.9279 4.0720 4.0846 4.1514 4.2193 4.3335 4.6350 4.7280 4.9970 5.0932 6.5081 6.6420 6.8989 7.0347 8.1777 8.2918 9.5627 9.6659 10.5437 10.5740 11.1893 11.2580 11.8053 11.8206 k = 0.1136 0.4026 0.6401 ( 7538 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1439 -16.0379 -16.0371 -15.9714 -15.9707 -15.9590 -15.9587 -15.8623 -15.8622 -15.8534 -15.8532 -1.7776 -1.7746 0.0385 0.0574 2.1516 2.2459 2.3563 2.4028 2.4835 2.5699 2.6021 2.6594 2.8595 2.8804 3.3373 3.6239 3.6788 3.7954 3.9270 4.0695 4.0885 4.1532 4.2293 4.3361 4.6433 4.7344 5.0565 5.1560 6.4428 6.5792 6.8517 6.9833 8.2262 8.3381 9.5346 9.6399 10.5180 10.5500 11.2434 11.3103 11.8776 11.8912 k = 0.1023 0.4127 0.6308 ( 7534 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1439 -16.0379 -16.0372 -15.9713 -15.9707 -15.9590 -15.9587 -15.8623 -15.8622 -15.8533 -15.8532 -1.7810 -1.7783 0.0507 0.0682 2.1415 2.2275 2.3539 2.3945 2.4802 2.5606 2.6003 2.6504 2.8614 2.8813 3.3558 3.6193 3.6884 3.7884 3.9270 4.0609 4.0971 4.1549 4.2397 4.3381 4.6525 4.7399 5.1194 5.2218 6.3775 6.5152 6.8082 6.9339 8.2716 8.3807 9.4986 9.6034 10.4949 10.5287 11.3150 11.3820 11.9513 11.9637 k = 0.0909 0.4228 0.6215 ( 7532 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1439 -16.0378 -16.0372 -15.9713 -15.9707 -15.9590 -15.9587 -15.8623 -15.8622 -15.8533 -15.8531 -1.7843 -1.7818 0.0626 0.0785 2.1320 2.2091 2.3515 2.3867 2.4778 2.5514 2.5992 2.6425 2.8634 2.8819 3.3742 3.6117 3.6986 3.7823 3.9281 4.0510 4.1058 4.1563 4.2500 4.3394 4.6623 4.7444 5.1851 5.2900 6.3123 6.4502 6.7689 6.8869 8.3138 8.4188 9.4586 9.5606 10.4743 10.5085 11.4007 11.4683 12.0252 12.0393 k = 0.0795 0.4329 0.6122 ( 7532 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1439 -16.0378 -16.0372 -15.9713 -15.9708 -15.9590 -15.9587 -15.8623 -15.8622 -15.8533 -15.8531 -1.7874 -1.7852 0.0738 0.0881 2.1234 2.1913 2.3493 2.3795 2.4765 2.5424 2.5986 2.6354 2.8654 2.8822 3.3923 3.6022 3.7082 3.7769 3.9302 4.0407 4.1140 4.1574 4.2602 4.3398 4.6726 4.7479 5.2531 5.3600 6.2472 6.3841 6.7342 6.8428 8.3524 8.4520 9.4182 9.5151 10.4563 10.4891 11.4959 11.5637 12.0990 12.1189 k = 0.0682 0.4430 0.6029 ( 7526 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1439 -16.0378 -16.0373 -15.9712 -15.9708 -15.9590 -15.9587 -15.8623 -15.8622 -15.8532 -15.8531 -1.7901 -1.7882 0.0842 0.0967 2.1160 2.1743 2.3473 2.3728 2.4762 2.5338 2.5984 2.6292 2.8674 2.8823 3.4101 3.5914 3.7169 3.7723 3.9333 4.0302 4.1216 4.1582 4.2701 4.3393 4.6831 4.7502 5.3229 5.4311 6.1824 6.3172 6.7046 6.8019 8.3873 8.4796 9.3805 9.4699 10.4407 10.4706 11.5957 11.6626 12.1737 12.2026 k = 0.0568 0.4531 0.5936 ( 7522 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1439 -16.0377 -16.0373 -15.9712 -15.9708 -15.9589 -15.9587 -15.8623 -15.8622 -15.8532 -15.8531 -1.7925 -1.7909 0.0936 0.1042 2.1100 2.1587 2.3458 2.3668 2.4769 2.5256 2.5986 2.6238 2.8694 2.8822 3.4277 3.5796 3.7245 3.7681 3.9374 4.0197 4.1286 4.1586 4.2795 4.3379 4.6936 4.7513 5.3938 5.5028 6.1178 6.2494 6.6805 6.7647 8.4185 8.5012 9.3477 9.4274 10.4275 10.4536 11.6944 11.7589 12.2507 12.2906 k = 0.0455 0.4632 0.5844 ( 7524 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1439 -16.0377 -16.0374 -15.9712 -15.9709 -15.9589 -15.9587 -15.8623 -15.8622 -15.8532 -15.8531 -1.7945 -1.7931 0.1018 0.1104 2.1056 2.1446 2.3448 2.3614 2.4784 2.5179 2.5992 2.6190 2.8713 2.8817 3.4448 3.5669 3.7312 3.7644 3.9425 4.0094 4.1348 4.1585 4.2884 4.3356 4.7038 4.7511 5.4652 5.5741 6.0538 6.1810 6.6622 6.7316 8.4460 8.5165 9.3216 9.3891 10.4169 10.4385 11.7864 11.8458 12.3318 12.3822 k = 0.0341 0.4733 0.5751 ( 7524 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1439 -16.0377 -16.0374 -15.9711 -15.9709 -15.9589 -15.9588 -15.8622 -15.8622 -15.8531 -15.8531 -1.7960 -1.7950 0.1086 0.1152 2.1031 2.1324 2.3444 2.3567 2.4808 2.5107 2.6002 2.6149 2.8731 2.8811 3.4617 3.5534 3.7370 3.7608 3.9485 3.9993 4.1402 4.1579 4.2968 4.3325 4.7134 4.7496 5.5363 5.6434 5.9914 6.1122 6.6498 6.7031 8.4697 8.5254 9.3031 9.3562 10.4091 10.4256 11.8664 11.9168 12.4175 12.4746 k = 0.0227 0.4834 0.5658 ( 7532 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1439 -16.0377 -16.0375 -15.9711 -15.9710 -15.9589 -15.9588 -15.8623 -15.8622 -15.8531 -15.8531 -1.7971 -1.7964 0.1139 0.1183 2.1025 2.1221 2.3446 2.3528 2.4841 2.5040 2.6016 2.6113 2.8748 2.8802 3.4781 3.5394 3.7420 3.7574 3.9554 3.9895 4.1450 4.1566 4.3045 4.3284 4.7223 4.7467 5.6059 5.7061 5.9345 6.0440 6.6436 6.6798 8.4896 8.5283 9.2927 9.3293 10.4042 10.4154 11.9299 11.9667 12.5048 12.5600 k = 0.0114 0.4934 0.5565 ( 7538 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1440 -16.0376 -16.0375 -15.9711 -15.9710 -15.9589 -15.9588 -15.8623 -15.8622 -15.8531 -15.8531 -1.7977 -1.7973 0.1176 0.1198 2.1041 2.1139 2.3455 2.3496 2.4880 2.4980 2.6034 2.6082 2.8764 2.8791 3.4941 3.5248 3.7464 3.7540 3.9630 3.9801 4.1490 4.1548 4.3116 4.3236 4.7302 4.7425 5.6717 5.7448 5.9005 5.9781 6.6436 6.6618 8.5058 8.5256 9.2904 9.3091 10.4023 10.4080 11.9735 11.9930 12.5830 12.6203 k = 0.0000 0.5035 0.5472 ( 7540 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1440 -16.0376 -16.0376 -15.9710 -15.9710 -15.9589 -15.9589 -15.8622 -15.8622 -15.8531 -15.8531 -1.7977 -1.7977 0.1196 0.1196 2.1079 2.1079 2.3472 2.3472 2.4927 2.4927 2.6056 2.6056 2.8779 2.8779 3.5097 3.5097 3.7504 3.7504 3.9712 3.9712 4.1522 4.1522 4.3180 4.3180 4.7369 4.7369 5.7267 5.7267 5.9216 5.9216 6.6497 6.6497 8.5179 8.5179 9.2960 9.2960 10.4036 10.4036 11.9950 11.9950 12.6296 12.6296 k = 0.0000 0.5035 0.5472 ( 7540 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1440 -16.0376 -16.0376 -15.9710 -15.9710 -15.9589 -15.9589 -15.8622 -15.8622 -15.8531 -15.8531 -1.7977 -1.7977 0.1196 0.1196 2.1079 2.1079 2.3472 2.3472 2.4927 2.4927 2.6056 2.6056 2.8779 2.8779 3.5097 3.5097 3.7504 3.7504 3.9712 3.9712 4.1522 4.1522 4.3180 4.3180 4.7369 4.7369 5.7267 5.7267 5.9216 5.9216 6.6497 6.6497 8.5179 8.5179 9.2960 9.2960 10.4036 10.4036 11.9950 11.9950 12.6296 12.6296 k = 0.0134 0.5117 0.5397 ( 7544 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1440 -16.0376 -16.0376 -15.9711 -15.9710 -15.9589 -15.9588 -15.8623 -15.8622 -15.8531 -15.8531 -1.7976 -1.7971 0.1173 0.1200 2.1026 2.1128 2.3433 2.3506 2.4915 2.4933 2.5989 2.6145 2.8632 2.8906 3.5017 3.5165 3.7337 3.7671 3.9635 3.9792 4.1382 4.1658 4.3180 4.3222 4.7377 4.7387 5.7141 5.7395 5.9134 5.9214 6.6478 6.6548 8.5047 8.5295 9.2850 9.2942 10.4056 10.4271 11.9927 12.0020 12.6294 12.6333 k = 0.0269 0.5199 0.5321 ( 7537 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1439 -16.0376 -16.0376 -15.9711 -15.9709 -15.9590 -15.9588 -15.8623 -15.8622 -15.8531 -15.8531 -1.7967 -1.7957 0.1131 0.1185 2.0969 2.1173 2.3389 2.3534 2.4898 2.4931 2.5945 2.6258 2.8472 2.9012 3.4930 3.5219 3.7179 3.7830 3.9558 3.9873 4.1246 4.1781 4.3221 4.3304 4.7407 4.7432 5.6989 5.7542 5.9007 5.9108 6.6495 6.6619 8.4898 8.5392 9.2636 9.2796 10.4331 10.4734 11.9953 12.0136 12.6328 12.6407 k = 0.0403 0.5281 0.5246 ( 7538 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1439 -16.0376 -16.0376 -15.9712 -15.9709 -15.9590 -15.9588 -15.8623 -15.8622 -15.8531 -15.8531 -1.7950 -1.7936 0.1071 0.1152 2.0911 2.1212 2.3344 2.3555 2.4878 2.4922 2.5922 2.6389 2.8304 2.9095 3.4841 3.5254 3.7035 3.7973 3.9482 3.9959 4.1121 4.1888 4.3300 4.3419 4.7460 4.7506 5.6777 5.7716 5.8888 5.8895 6.6540 6.6691 8.4737 8.5472 9.2359 9.2549 10.4831 10.5383 12.0027 12.0295 12.6395 12.6519 k = 0.0538 0.5363 0.5170 ( 7539 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1439 -16.0376 -16.0375 -15.9712 -15.9708 -15.9590 -15.9587 -15.8623 -15.8622 -15.8531 -15.8531 -1.7926 -1.7907 0.0994 0.1099 2.0851 2.1245 2.3298 2.3567 2.4858 2.4907 2.5912 2.6538 2.8134 2.9155 3.4753 3.5270 3.6910 3.8092 3.9405 4.0049 4.1012 4.1977 4.3414 4.3556 4.7534 4.7613 5.6471 5.7919 5.8588 5.8834 6.6599 6.6743 8.4567 8.5537 9.2060 9.2243 10.5513 10.6170 12.0150 12.0494 12.6497 12.6670 k = 0.0672 0.5445 0.5095 ( 7549 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1439 -16.0377 -16.0376 -15.9713 -15.9708 -15.9591 -15.9587 -15.8623 -15.8622 -15.8532 -15.8531 -1.7894 -1.7872 0.0899 0.1028 2.0792 2.1272 2.3253 2.3570 2.4837 2.4889 2.5910 2.6698 2.7972 2.9194 3.4671 3.5268 3.6803 3.8181 3.9330 4.0144 4.0921 4.2053 4.3557 4.3701 4.7629 4.7751 5.6060 5.8042 5.8318 5.8873 6.6651 6.6757 8.4393 8.5590 9.1777 9.1920 10.6328 10.7050 12.0319 12.0728 12.6634 12.6864 k = 0.0807 0.5527 0.5019 ( 7547 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1439 -16.0377 -16.0375 -15.9714 -15.9708 -15.9591 -15.9586 -15.8623 -15.8621 -15.8532 -15.8531 -1.7856 -1.7829 0.0789 0.0940 2.0734 2.1293 2.3210 2.3564 2.4817 2.4867 2.5908 2.6867 2.7825 2.9217 3.4597 3.5250 3.6715 3.8239 3.9258 4.0246 4.0845 4.2120 4.3723 4.3842 4.7744 4.7922 5.5557 5.7652 5.8536 5.9012 6.6676 6.6718 8.4221 8.5634 9.1536 9.1616 10.7234 10.7986 12.0532 12.0992 12.6805 12.7102 k = 0.0941 0.5609 0.4944 ( 7544 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1439 -16.0377 -16.0375 -15.9714 -15.9707 -15.9591 -15.9586 -15.8623 -15.8621 -15.8532 -15.8531 -1.7812 -1.7781 0.0663 0.0834 2.0679 2.1309 2.3170 2.3547 2.4798 2.4846 2.5897 2.7037 2.7702 2.9230 3.4533 3.5222 3.6640 3.8264 3.9191 4.0353 4.0782 4.2184 4.3903 4.3969 4.7879 4.8120 5.4987 5.7128 5.8884 5.9243 6.6615 6.6656 8.4055 8.5676 9.1356 9.1359 10.8191 10.8946 12.0786 12.1280 12.7014 12.7387 k = 0.1076 0.5692 0.4869 ( 7547 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1439 -16.0377 -16.0375 -15.9715 -15.9707 -15.9591 -15.9585 -15.8624 -15.8621 -15.8532 -15.8531 -1.7762 -1.7727 0.0523 0.0712 2.0628 2.1319 2.3134 2.3521 2.4781 2.4825 2.5871 2.7202 2.7609 2.9241 3.4480 3.5186 3.6576 3.8259 3.9130 4.0465 4.0728 4.2248 4.4076 4.4090 4.8032 4.8339 5.4370 5.6556 5.9294 5.9558 6.6444 6.6578 8.3900 8.5719 9.1167 9.1251 10.9166 10.9902 12.1076 12.1587 12.7262 12.7721 k = 0.1210 0.5774 0.4793 ( 7543 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1439 -16.0377 -16.0375 -15.9715 -15.9707 -15.9591 -15.9585 -15.8623 -15.8621 -15.8532 -15.8531 -1.7707 -1.7668 0.0370 0.0574 2.0582 2.1325 2.3103 2.3485 2.4765 2.4805 2.5828 2.7351 2.7552 2.9263 3.4437 3.5149 3.6517 3.8228 3.9075 4.0580 4.0680 4.2316 4.4164 4.4272 4.8199 4.8571 5.3727 5.5951 5.9763 5.9952 6.6204 6.6434 8.3756 8.5770 9.1052 9.1226 11.0132 11.0832 12.1398 12.1907 12.7551 12.8105 k = 0.1345 0.5856 0.4718 ( 7544 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1439 -16.0377 -16.0375 -15.9716 -15.9706 -15.9591 -15.9584 -15.8624 -15.8621 -15.8532 -15.8531 -1.7648 -1.7605 0.0204 0.0422 2.0541 2.1327 2.3076 2.3439 2.4751 2.4786 2.5768 2.7471 2.7530 2.9307 3.4404 3.5113 3.6461 3.8178 3.9024 4.0635 4.0701 4.2393 4.4231 4.4446 4.8377 4.8807 5.3070 5.5326 6.0290 6.0421 6.5899 6.6220 8.3626 8.5831 9.1020 9.1283 11.1064 11.1718 12.1745 12.2233 12.7884 12.8542 k = 0.1479 0.5938 0.4642 ( 7550 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1439 -16.0377 -16.0375 -15.9717 -15.9706 -15.9591 -15.9583 -15.8624 -15.8621 -15.8532 -15.8531 -1.7585 -1.7539 0.0028 0.0256 2.0507 2.1325 2.3053 2.3384 2.4739 2.4769 2.5695 2.7523 2.7573 2.9383 3.4379 3.5082 3.6405 3.8113 3.8975 4.0594 4.0818 4.2482 4.4280 4.4608 4.8557 4.9037 5.2413 5.4692 6.0874 6.0959 6.5539 6.5938 8.3509 8.5905 9.1072 9.1421 11.1944 11.2545 12.2110 12.2559 12.8264 12.9033 k = 0.1614 0.6020 0.4567 ( 7558 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1440 -16.1439 -16.0378 -16.0375 -15.9717 -15.9706 -15.9592 -15.9583 -15.8624 -15.8620 -15.8532 -15.8532 -1.7520 -1.7470 -0.0157 0.0079 2.0481 2.1322 2.3035 2.3321 2.4728 2.4753 2.5614 2.7552 2.7623 2.9497 3.4360 3.5056 3.6347 3.8038 3.8926 4.0555 4.0933 4.2588 4.4314 4.4755 4.8731 4.9251 5.1770 5.4059 6.1511 6.1556 6.5139 6.5594 8.3404 8.5994 9.1207 9.1636 11.2757 11.3304 12.2487 12.2880 12.8691 12.9576 k = 0.1748 0.6102 0.4491 ( 7560 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1440 -16.1439 -16.0378 -16.0376 -15.9718 -15.9706 -15.9592 -15.9583 -15.8624 -15.8620 -15.8532 -15.8532 -1.7452 -1.7400 -0.0350 -0.0108 2.0462 2.1317 2.3020 2.3252 2.4718 2.4740 2.5529 2.7594 2.7640 2.9647 3.4346 3.5037 3.6286 3.7958 3.8874 4.0517 4.1041 4.2713 4.4335 4.4887 4.8887 4.9440 5.1157 5.3439 6.2188 6.2197 6.4732 6.5195 8.3312 8.6100 9.1418 9.1921 11.3494 11.3990 12.2866 12.3193 12.9168 13.0171 k = 0.1883 0.6184 0.4416 ( 7557 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1440 -16.1439 -16.0378 -16.0375 -15.9718 -15.9705 -15.9592 -15.9582 -15.8624 -15.8620 -15.8532 -15.8532 -1.7385 -1.7329 -0.0549 -0.0304 2.0451 2.1312 2.3009 2.3178 2.4709 2.4729 2.5444 2.7618 2.7660 2.9825 3.4335 3.5026 3.6222 3.7876 3.8817 4.0481 4.1138 4.2859 4.4347 4.5006 4.8999 4.9592 5.0603 5.2848 6.2768 6.2922 6.4408 6.4756 8.3234 8.6223 9.1700 9.2268 11.4154 11.4602 12.3242 12.3492 12.9693 13.0814 k = 0.2017 0.6266 0.4340 ( 7558 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1440 -16.1439 -16.0378 -16.0376 -15.9719 -15.9705 -15.9592 -15.9581 -15.8624 -15.8620 -15.8533 -15.8532 -1.7317 -1.7259 -0.0754 -0.0508 2.0448 2.1307 2.3000 2.3103 2.4700 2.4720 2.5358 2.7588 2.7721 3.0021 3.4325 3.5022 3.6154 3.7794 3.8755 4.0447 4.1224 4.3028 4.4351 4.5113 4.9006 4.9687 5.0172 5.2309 6.2988 6.3650 6.4316 6.4481 8.3172 8.6367 9.2042 9.2668 11.4737 11.5145 12.3606 12.3776 13.0263 13.1501 k = 0.2152 0.6348 0.4265 ( 7546 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1438 -16.0378 -16.0375 -15.9719 -15.9704 -15.9591 -15.9581 -15.8623 -15.8619 -15.8532 -15.8532 -1.7252 -1.7191 -0.0962 -0.0717 2.0454 2.1302 2.2994 2.3028 2.4689 2.4716 2.5274 2.7543 2.7791 3.0225 3.4313 3.5025 3.6084 3.7715 3.8685 4.0417 4.1296 4.3215 4.4350 4.5211 4.8815 4.9695 4.9965 5.1859 6.2710 6.3698 6.4560 6.5089 8.3129 8.6534 9.2436 9.3110 11.5251 11.5623 12.3952 12.4040 13.0875 13.2225 k = 0.2286 0.6430 0.4189 ( 7546 PWs) bands (ev): -44.0818 -44.0817 -43.9755 -43.9755 -16.1440 -16.1438 -16.0378 -16.0375 -15.9719 -15.9704 -15.9591 -15.9580 -15.8623 -15.8619 -15.8533 -15.8532 -1.7189 -1.7125 -0.1172 -0.0930 2.0467 2.1297 2.2956 2.2990 2.4676 2.4713 2.5192 2.7489 2.7865 3.0429 3.4300 3.5034 3.6012 3.7641 3.8608 4.0389 4.1356 4.3414 4.4347 4.5302 4.8459 4.9583 4.9952 5.1543 6.2254 6.3205 6.5350 6.5912 8.3112 8.6731 9.2870 9.3586 11.5705 11.6047 12.4274 12.4284 13.1524 13.2979 k = 0.2421 0.6512 0.4114 ( 7546 PWs) bands (ev): -44.0818 -44.0817 -43.9755 -43.9755 -16.1440 -16.1438 -16.0378 -16.0375 -15.9720 -15.9704 -15.9591 -15.9580 -15.8623 -15.8619 -15.8533 -15.8532 -1.7130 -1.7064 -0.1382 -0.1145 2.0488 2.1294 2.2889 2.2986 2.4659 2.4714 2.5112 2.7432 2.7943 3.0626 3.4284 3.5046 3.5941 3.7574 3.8522 4.0366 4.1403 4.3615 4.4343 4.5384 4.8064 4.9345 5.0017 5.1377 6.1756 6.2687 6.6171 6.6813 8.3126 8.6961 9.3333 9.4086 11.6111 11.6425 12.4502 12.4565 13.2200 13.3751 k = 0.2555 0.6594 0.4038 ( 7553 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1440 -16.1438 -16.0378 -16.0376 -15.9720 -15.9704 -15.9591 -15.9579 -15.8623 -15.8619 -15.8533 -15.8532 -1.7077 -1.7008 -0.1591 -0.1361 2.0516 2.1291 2.2829 2.2983 2.4635 2.4716 2.5038 2.7374 2.8024 3.0807 3.4264 3.5059 3.5873 3.7515 3.8430 4.0348 4.1440 4.3801 4.4342 4.5459 4.7693 4.9030 5.0103 5.1327 6.1254 6.2169 6.6997 6.7747 8.3179 8.7230 9.3815 9.4600 11.6478 11.6765 12.4693 12.4819 13.2893 13.4527 k = 0.2690 0.6676 0.3963 ( 7555 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1440 -16.1438 -16.0378 -16.0376 -15.9720 -15.9704 -15.9591 -15.9579 -15.8623 -15.8618 -15.8533 -15.8532 -1.7030 -1.6960 -0.1798 -0.1575 2.0549 2.1289 2.2776 2.2981 2.4601 2.4719 2.4972 2.7316 2.8107 3.0968 3.4239 3.5069 3.5813 3.7463 3.8335 4.0335 4.1468 4.3946 4.4351 4.5519 4.7377 4.8709 5.0193 5.1344 6.0764 6.1663 6.7812 6.8690 8.3283 8.7546 9.4306 9.5119 11.6817 11.7078 12.4851 12.5030 13.3584 13.5288 k = 0.2824 0.6758 0.3887 ( 7560 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1440 -16.1438 -16.0378 -16.0376 -15.9721 -15.9703 -15.9591 -15.9579 -15.8623 -15.8618 -15.8533 -15.8532 -1.6991 -1.6919 -0.2000 -0.1787 2.0586 2.1288 2.2733 2.2977 2.4552 2.4723 2.4919 2.7260 2.8192 3.1104 3.4211 3.5070 3.5766 3.7416 3.8243 4.0327 4.1487 4.4022 4.4376 4.5557 4.7136 4.8440 5.0280 5.1394 6.0298 6.1180 6.8608 6.9622 8.3447 8.7913 9.4796 9.5636 11.7138 11.7370 12.4973 12.5191 13.4246 13.6003 k = 0.2958 0.6840 0.3812 ( 7559 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1440 -16.1438 -16.0378 -16.0376 -15.9721 -15.9703 -15.9591 -15.9578 -15.8623 -15.8618 -15.8533 -15.8532 -1.6962 -1.6888 -0.2198 -0.1995 2.0626 2.1286 2.2700 2.2971 2.4487 2.4728 2.4881 2.7207 2.8279 3.1212 3.4178 3.5056 3.5738 3.7367 3.8163 4.0325 4.1499 4.4018 4.4401 4.5558 4.6988 4.8265 5.0363 5.1462 5.9863 6.0726 6.9372 7.0521 8.3687 8.8335 9.5277 9.6143 11.7448 11.7648 12.5053 12.5293 13.4835 13.6627 k = 0.3093 0.6922 0.3737 ( 7555 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1440 -16.1437 -16.0378 -16.0376 -15.9721 -15.9703 -15.9590 -15.9578 -15.8622 -15.8618 -15.8533 -15.8532 -1.6943 -1.6867 -0.2389 -0.2197 2.0667 2.1283 2.2677 2.2963 2.4409 2.4732 2.4856 2.7156 2.8369 3.1290 3.4142 3.5024 3.5733 3.7308 3.8111 4.0329 4.1503 4.3939 4.4410 4.5514 4.6941 4.8205 5.0443 5.1539 5.9466 6.0310 7.0097 7.1368 8.4015 8.8815 9.5743 9.6635 11.7752 11.7916 12.5084 12.5328 13.5281 13.7094 k = 0.3227 0.7004 0.3661 ( 7560 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1440 -16.1437 -16.0378 -16.0376 -15.9722 -15.9703 -15.9590 -15.9577 -15.8622 -15.8617 -15.8533 -15.8532 -1.6936 -1.6858 -0.2572 -0.2393 2.0706 2.1279 2.2664 2.2951 2.4325 2.4736 2.4840 2.7107 2.8460 3.1338 3.4102 3.4974 3.5751 3.7227 3.8097 4.0339 4.1500 4.3786 4.4404 4.5433 4.6987 4.8261 5.0520 5.1622 5.9113 5.9941 7.0774 7.2143 8.4443 8.9354 9.6186 9.7104 11.8054 11.8178 12.5060 12.5285 13.5484 13.7312 k = 0.3362 0.7086 0.3586 ( 7561 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1440 -16.1437 -16.0377 -16.0376 -15.9722 -15.9703 -15.9590 -15.9577 -15.8622 -15.8617 -15.8533 -15.8532 -1.6942 -1.6863 -0.2746 -0.2580 2.0741 2.1273 2.2659 2.2933 2.4240 2.4739 2.4831 2.7062 2.8553 3.1359 3.4061 3.4908 3.5788 3.7123 3.8127 4.0357 4.1488 4.3567 4.4397 4.5330 4.7105 4.8410 5.0597 5.1710 5.8810 5.9628 7.1399 7.2831 8.4982 8.9949 9.6603 9.7547 11.8355 11.8434 12.4973 12.5153 13.5351 13.7198 k = 0.3362 0.7086 0.3586 ( 7561 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1440 -16.1437 -16.0377 -16.0376 -15.9722 -15.9703 -15.9590 -15.9577 -15.8622 -15.8617 -15.8533 -15.8532 -1.6942 -1.6863 -0.2746 -0.2580 2.0741 2.1273 2.2659 2.2933 2.4240 2.4739 2.4831 2.7062 2.8553 3.1359 3.4061 3.4908 3.5788 3.7123 3.8127 4.0357 4.1488 4.3567 4.4397 4.5330 4.7105 4.8410 5.0597 5.1710 5.8810 5.9628 7.1399 7.2831 8.4982 8.9949 9.6603 9.7547 11.8355 11.8434 12.4973 12.5153 13.5351 13.7198 k = 0.3430 0.7025 0.3436 ( 7561 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1439 -16.1437 -16.0377 -16.0376 -15.9722 -15.9703 -15.9589 -15.9576 -15.8621 -15.8617 -15.8533 -15.8532 -1.6975 -1.6893 -0.3082 -0.2939 2.0793 2.1256 2.2666 2.2890 2.4081 2.4745 2.4819 2.6987 2.8742 3.1342 3.3983 3.4766 3.5878 3.6900 3.8248 4.0403 4.1444 4.3071 4.4398 4.5139 4.7415 4.8803 5.0749 5.1905 5.8265 5.9078 7.2605 7.4120 8.6167 9.1179 9.7405 9.8401 11.8901 11.8920 12.4716 12.4772 13.4744 13.6606 k = 0.3498 0.6965 0.3287 ( 7557 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1439 -16.1436 -16.0377 -16.0376 -15.9722 -15.9702 -15.9588 -15.9576 -15.8621 -15.8616 -15.8533 -15.8532 -1.7020 -1.6935 -0.3415 -0.3295 2.0819 2.1233 2.2684 2.2840 2.3938 2.4751 2.4812 2.6930 2.8931 3.1259 3.3915 3.4625 3.5971 3.6687 3.8403 4.0457 4.1364 4.2593 4.4410 4.4986 4.7767 4.9220 5.0899 5.2135 5.7732 5.8554 7.3862 7.5451 8.7360 9.2410 9.8217 9.9267 11.9286 11.9404 12.4343 12.4429 13.4157 13.5995 k = 0.3567 0.6904 0.3137 ( 7549 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1438 -16.1436 -16.0376 -16.0376 -15.9722 -15.9702 -15.9587 -15.9575 -15.8620 -15.8615 -15.8533 -15.8532 -1.7077 -1.6989 -0.3746 -0.3645 2.0823 2.1206 2.2711 2.2785 2.3815 2.4760 2.4807 2.6890 2.9118 3.1119 3.3854 3.4486 3.6067 3.6485 3.8581 4.0522 4.1211 4.2194 4.4425 4.4868 4.8157 4.9625 5.1055 5.2412 5.7214 5.8067 7.5166 7.6818 8.8560 9.3637 9.9036 10.0140 11.9561 11.9772 12.3869 12.4115 13.3594 13.5372 k = 0.3635 0.6843 0.2988 ( 7549 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1438 -16.1436 -16.0376 -16.0375 -15.9722 -15.9702 -15.9586 -15.9574 -15.8619 -15.8615 -15.8532 -15.8532 -1.7142 -1.7053 -0.4071 -0.3987 2.0808 2.1176 2.2726 2.2740 2.3717 2.4769 2.4804 2.6863 2.9298 3.0934 3.3800 3.4353 3.6163 3.6293 3.8766 4.0596 4.0938 4.1930 4.4441 4.4780 4.8576 4.9987 5.1229 5.2739 5.6720 5.7638 7.6512 7.8218 8.9763 9.4855 9.9857 10.1014 11.9696 11.9978 12.3355 12.3776 13.3053 13.4738 k = 0.3703 0.6783 0.2839 ( 7547 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1438 -16.1435 -16.0375 -16.0375 -15.9722 -15.9702 -15.9586 -15.9573 -15.8618 -15.8614 -15.8532 -15.8532 -1.7215 -1.7126 -0.4391 -0.4322 2.0778 2.1143 2.2670 2.2760 2.3647 2.4779 2.4803 2.6846 2.9467 3.0717 3.3751 3.4226 3.6111 3.6260 3.8945 4.0566 4.0678 4.1788 4.4458 4.4716 4.9003 5.0288 5.1443 5.3097 5.6257 5.7299 7.7899 7.9647 9.0966 9.6057 10.0676 10.1885 11.9660 11.9969 12.2811 12.3415 13.2536 13.4097 k = 0.3771 0.6722 0.2689 ( 7539 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1437 -16.1435 -16.0375 -16.0374 -15.9721 -15.9701 -15.9585 -15.9572 -15.8617 -15.8614 -15.8532 -15.8531 -1.7295 -1.7205 -0.4702 -0.4646 2.0737 2.1108 2.2613 2.2770 2.3608 2.4790 2.4805 2.6834 2.9624 3.0481 3.3707 3.4106 3.5941 3.6355 3.9108 4.0158 4.0766 4.1709 4.4475 4.4671 4.9404 5.0521 5.1722 5.3432 5.5839 5.7107 7.9323 8.1099 9.2165 9.7234 10.1488 10.2745 11.9428 11.9693 12.2250 12.3033 13.2043 13.3451 k = 0.3840 0.6662 0.2540 ( 7549 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1437 -16.1435 -16.0375 -16.0374 -15.9721 -15.9702 -15.9584 -15.9572 -15.8617 -15.8613 -15.8532 -15.8532 -1.7379 -1.7290 -0.5005 -0.4960 2.0691 2.1072 2.2559 2.2764 2.3598 2.4800 2.4809 2.6823 2.9766 3.0239 3.3668 3.3994 3.5782 3.6446 3.9252 3.9754 4.0855 4.1657 4.4491 4.4641 4.9737 5.0694 5.2085 5.3655 5.5490 5.7140 8.0781 8.2572 9.3357 9.8377 10.2287 10.3586 11.8987 11.9121 12.1688 12.2633 13.1576 13.2801 k = 0.3908 0.6601 0.2390 ( 7549 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1437 -16.1434 -16.0374 -16.0374 -15.9721 -15.9702 -15.9583 -15.9572 -15.8616 -15.8613 -15.8532 -15.8532 -1.7467 -1.7379 -0.5296 -0.5261 2.0642 2.1034 2.2508 2.2744 2.3613 2.4809 2.4816 2.6805 2.9890 3.0003 3.3633 3.3891 3.5635 3.6531 3.9368 3.9379 4.0942 4.1617 4.4507 4.4622 4.9978 5.0816 5.2507 5.3703 5.5260 5.7450 8.2269 8.4059 9.4537 9.9473 10.3064 10.4395 11.8276 11.8343 12.1132 12.2214 13.1129 13.2146 k = 0.3976 0.6540 0.2241 ( 7551 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1436 -16.1434 -16.0374 -16.0373 -15.9721 -15.9702 -15.9582 -15.9571 -15.8615 -15.8612 -15.8532 -15.8532 -1.7556 -1.7470 -0.5576 -0.5549 2.0593 2.0996 2.2462 2.2715 2.3644 2.4819 2.4826 2.6775 2.9785 2.9996 3.3602 3.3797 3.5499 3.6604 3.9030 3.9475 4.1022 4.1583 4.4521 4.4610 5.0129 5.0895 5.2879 5.3595 5.5253 5.8007 8.3783 8.5558 9.5701 10.0505 10.3811 10.5156 11.7229 11.7527 12.0581 12.1776 13.0693 13.1490 k = 0.4044 0.6480 0.2092 ( 7551 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1436 -16.1434 -16.0374 -16.0373 -15.9720 -15.9702 -15.9581 -15.9570 -15.8615 -15.8612 -15.8532 -15.8531 -1.7646 -1.7562 -0.5844 -0.5823 2.0546 2.0958 2.2422 2.2681 2.3684 2.4829 2.4837 2.6725 2.9596 3.0084 3.3573 3.3713 3.5375 3.6658 3.8734 3.9560 4.1090 4.1550 4.4534 4.4603 5.0207 5.0938 5.3054 5.3396 5.5595 5.8735 8.5321 8.7063 9.6841 10.1452 10.4512 10.5845 11.6074 11.6593 12.0029 12.1319 13.0261 13.0832 k = 0.4113 0.6419 0.1942 ( 7549 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1436 -16.1433 -16.0374 -16.0373 -15.9720 -15.9703 -15.9580 -15.9570 -15.8614 -15.8611 -15.8531 -15.8531 -1.7735 -1.7654 -0.6097 -0.6082 2.0504 2.0921 2.2387 2.2646 2.3729 2.4840 2.4850 2.6649 2.9444 3.0152 3.3547 3.3637 3.5265 3.6682 3.8497 3.9631 4.1145 4.1518 4.4546 4.4597 5.0231 5.0946 5.3029 5.3163 5.6263 5.9570 8.6878 8.8570 9.7950 10.2284 10.5146 10.6425 11.4912 11.5614 11.9478 12.0839 12.9831 13.0177 k = 0.4181 0.6359 0.1793 ( 7545 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1435 -16.1433 -16.0373 -16.0372 -15.9719 -15.9703 -15.9579 -15.9569 -15.8613 -15.8611 -15.8531 -15.8531 -1.7822 -1.7745 -0.6335 -0.6325 2.0467 2.0883 2.2359 2.2611 2.3775 2.4849 2.4865 2.6545 2.9334 3.0203 3.3523 3.3570 3.5168 3.6665 3.8331 3.9689 4.1185 4.1485 4.4555 4.4593 5.0214 5.0919 5.2909 5.2932 5.7134 6.0470 8.8449 9.0071 9.9019 10.2955 10.5688 10.6841 11.3853 11.4687 11.8928 12.0332 12.9401 12.9527 k = 0.4249 0.6298 0.1643 ( 7537 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1435 -16.1433 -16.0373 -16.0372 -15.9719 -15.9703 -15.9578 -15.9569 -15.8612 -15.8610 -15.8531 -15.8530 -1.7906 -1.7833 -0.6558 -0.6551 2.0435 2.0846 2.2336 2.2579 2.3820 2.4856 2.4884 2.6411 2.9268 3.0235 3.3499 3.3513 3.5085 3.6599 3.8243 3.9737 4.1209 4.1450 4.4563 4.4587 5.0165 5.0858 5.2724 5.2767 5.8117 6.1406 9.0030 9.1560 10.0032 10.3393 10.6116 10.7021 11.3015 11.3926 11.8381 11.9792 12.8891 12.8971 k = 0.4317 0.6237 0.1494 ( 7531 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1434 -16.1432 -16.0373 -16.0371 -15.9718 -15.9703 -15.9577 -15.9568 -15.8612 -15.8610 -15.8530 -15.8530 -1.7985 -1.7918 -0.6764 -0.6760 2.0411 2.0809 2.2320 2.2549 2.3864 2.4863 2.4903 2.6254 2.9242 3.0252 3.3460 3.3479 3.5017 3.6491 3.8227 3.9776 4.1218 4.1415 4.4568 4.4581 5.0093 5.0763 5.2552 5.2632 5.9163 6.2354 9.1614 9.3029 10.0961 10.3505 10.6439 10.6909 11.2501 11.3433 11.7838 11.9213 12.8276 12.8541 k = 0.4386 0.6177 0.1345 ( 7545 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1434 -16.1433 -16.0373 -16.0371 -15.9718 -15.9704 -15.9576 -15.9568 -15.8612 -15.8610 -15.8530 -15.8530 -1.8060 -1.7998 -0.6952 -0.6951 2.0393 2.0773 2.2309 2.2523 2.3906 2.4868 2.4923 2.6079 2.9248 3.0255 3.3418 3.3456 3.4965 3.6354 3.8266 3.9805 4.1214 4.1378 4.4570 4.4575 5.0007 5.0641 5.2419 5.2515 6.0241 6.3294 9.3192 9.4469 10.1751 10.3240 10.6553 10.6703 11.2332 11.3233 11.7299 11.8589 12.7693 12.8114 k = 0.4454 0.6116 0.1195 ( 7552 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1434 -16.1433 -16.0372 -16.0371 -15.9717 -15.9705 -15.9575 -15.9568 -15.8611 -15.8610 -15.8530 -15.8530 -1.8129 -1.8072 -0.7123 -0.7123 2.0381 2.0737 2.2304 2.2500 2.3947 2.4871 2.4942 2.5896 2.9281 3.0244 3.3382 3.3434 3.4928 3.6202 3.8345 3.9823 4.1198 4.1339 4.4565 4.4572 4.9914 5.0499 5.2320 5.2420 6.1329 6.4206 9.4748 9.5864 10.2277 10.2666 10.6168 10.6930 11.2435 11.3249 11.6766 11.7920 12.7154 12.7693 k = 0.4522 0.6056 0.1046 ( 7556 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1434 -16.1432 -16.0372 -16.0371 -15.9716 -15.9706 -15.9575 -15.9568 -15.8611 -15.8610 -15.8530 -15.8530 -1.8190 -1.8140 -0.7275 -0.7275 2.0377 2.0702 2.2304 2.2479 2.3990 2.4871 2.4961 2.5711 2.9334 3.0223 3.3353 3.3412 3.4907 3.6047 3.8451 3.9831 4.1173 4.1300 4.4557 4.4570 4.9824 5.0348 5.2249 5.2343 6.2405 6.5070 9.6249 9.7189 10.1949 10.2353 10.6070 10.7107 11.2691 11.3359 11.6240 11.7217 12.6671 12.7282 k = 0.4590 0.5995 0.0896 ( 7560 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1434 -16.1432 -16.0372 -16.0371 -15.9716 -15.9706 -15.9574 -15.9568 -15.8611 -15.8610 -15.8530 -15.8530 -1.8245 -1.8201 -0.7409 -0.7407 2.0378 2.0668 2.2307 2.2461 2.4035 2.4865 2.4977 2.5534 2.9399 3.0192 3.3329 3.3390 3.4901 3.5895 3.8574 3.9824 4.1144 4.1260 4.4549 4.4567 4.9741 5.0198 5.2200 5.2283 6.3449 6.5860 9.7597 9.8391 10.1307 10.1998 10.6382 10.7209 11.2992 11.3438 11.5735 11.6521 12.6255 12.6889 k = 0.4659 0.5934 0.0747 ( 7558 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1433 -16.1432 -16.0372 -16.0371 -15.9715 -15.9707 -15.9573 -15.9569 -15.8610 -15.8610 -15.8530 -15.8530 -1.8291 -1.8254 -0.7522 -0.7520 2.0385 2.0634 2.2315 2.2445 2.4085 2.4848 2.4992 2.5372 2.9473 3.0152 3.3311 3.3368 3.4912 3.5750 3.8709 3.9802 4.1113 4.1220 4.4542 4.4562 4.9671 5.0056 5.2167 5.2236 6.4438 6.6552 9.8460 9.9280 10.1159 10.1620 10.6933 10.7220 11.3236 11.3343 11.5288 11.5929 12.5913 12.6522 k = 0.4727 0.5874 0.0598 ( 7554 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1433 -16.1432 -16.0372 -16.0371 -15.9714 -15.9708 -15.9572 -15.9569 -15.8610 -15.8609 -15.8530 -15.8530 -1.8329 -1.8299 -0.7615 -0.7613 2.0397 2.0601 2.2324 2.2430 2.4141 2.4813 2.5004 2.5239 2.9551 3.0106 3.3298 3.3348 3.4937 3.5614 3.8850 3.9761 4.1086 4.1182 4.4537 4.4556 4.9617 4.9927 5.2145 5.2199 6.5349 6.7119 9.8477 9.9408 10.1861 10.1918 10.7138 10.7554 11.2940 11.3290 11.4992 11.5562 12.5650 12.6190 k = 0.4795 0.5813 0.0448 ( 7554 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1433 -16.1432 -16.0371 -16.0371 -15.9713 -15.9708 -15.9572 -15.9569 -15.8610 -15.8609 -15.8530 -15.8530 -1.8358 -1.8336 -0.7688 -0.7686 2.0413 2.0569 2.2336 2.2417 2.4205 2.4751 2.5015 2.5144 2.9631 3.0053 3.3290 3.3330 3.4977 3.5488 3.8993 3.9700 4.1066 4.1146 4.4533 4.4550 4.9581 4.9815 5.2131 5.2172 6.6154 6.7535 9.8136 9.8951 10.2643 10.3110 10.6977 10.8130 11.2271 11.3048 11.4932 11.5415 12.5466 12.5902 k = 0.4863 0.5753 0.0299 ( 7558 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1433 -16.1432 -16.0371 -16.0371 -15.9713 -15.9709 -15.9571 -15.9569 -15.8610 -15.8610 -15.8530 -15.8530 -1.8378 -1.8363 -0.7740 -0.7739 2.0433 2.0539 2.2349 2.2403 2.4279 2.4661 2.5024 2.5089 2.9711 2.9994 3.3286 3.3314 3.5030 3.5373 3.9135 3.9618 4.1056 4.1114 4.4532 4.4544 4.9566 4.9723 5.2125 5.2151 6.6828 6.7777 9.7835 9.8422 10.3501 10.4275 10.6813 10.8497 11.1596 11.2589 11.5026 11.5366 12.5361 12.5666 k = 0.4932 0.5692 0.0149 ( 7570 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1433 -16.1433 -16.0371 -16.0371 -15.9712 -15.9710 -15.9571 -15.9570 -15.8610 -15.8610 -15.8530 -15.8530 -1.8389 -1.8381 -0.7771 -0.7770 2.0456 2.0509 2.2363 2.2390 2.4364 2.4559 2.5033 2.5060 2.9788 2.9930 3.3287 3.3302 3.5097 3.5269 3.9273 3.9518 4.1057 4.1087 4.4532 4.4539 4.9573 4.9651 5.2124 5.2137 6.7345 6.7829 9.7693 9.7999 10.4269 10.4974 10.6954 10.8351 11.1315 11.2053 11.5153 11.5326 12.5332 12.5488 k = 0.5000 0.5631-0.0000 ( 7578 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1433 -16.1433 -16.0371 -16.0371 -15.9711 -15.9711 -15.9570 -15.9570 -15.8610 -15.8610 -15.8530 -15.8530 -1.8390 -1.8390 -0.7781 -0.7781 2.0481 2.0481 2.2376 2.2376 2.4458 2.4458 2.5043 2.5043 2.9861 2.9861 3.3292 3.3292 3.5177 3.5177 3.9402 3.9402 4.1068 4.1068 4.4535 4.4535 4.9601 4.9601 5.2128 5.2128 6.7684 6.7684 9.7748 9.7748 10.4845 10.4845 10.7659 10.7659 11.1561 11.1561 11.5259 11.5259 12.5375 12.5375 k = 0.5000 0.5631-0.0000 ( 7578 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1433 -16.1433 -16.0371 -16.0371 -15.9711 -15.9711 -15.9570 -15.9570 -15.8610 -15.8610 -15.8530 -15.8530 -1.8390 -1.8390 -0.7781 -0.7781 2.0481 2.0481 2.2376 2.2376 2.4458 2.4458 2.5043 2.5043 2.9861 2.9861 3.3292 3.3292 3.5177 3.5177 3.9402 3.9402 4.1068 4.1068 4.4535 4.4535 4.9601 4.9601 5.2128 5.2128 6.7684 6.7684 9.7748 9.7748 10.4845 10.4845 10.7659 10.7659 11.1561 11.1561 11.5259 11.5259 12.5375 12.5375 k = 0.4881 0.5497-0.0000 ( 7582 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1433 -16.1433 -16.0372 -16.0372 -15.9711 -15.9711 -15.9571 -15.9571 -15.8610 -15.8610 -15.8530 -15.8530 -1.8405 -1.8405 -0.7770 -0.7770 2.0473 2.0479 2.2352 2.2362 2.4477 2.4479 2.5060 2.5065 2.9852 2.9853 3.3295 3.3295 3.5175 3.5175 3.9390 3.9390 4.1064 4.1064 4.4536 4.4538 4.9653 4.9654 5.2130 5.2130 6.7711 6.7711 9.7733 9.7734 10.4419 10.4422 10.7828 10.7832 11.1710 11.1710 11.5236 11.5237 12.5356 12.5356 k = 0.4762 0.5363-0.0000 ( 7574 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1433 -16.1433 -16.0371 -16.0371 -15.9711 -15.9711 -15.9570 -15.9570 -15.8610 -15.8610 -15.8530 -15.8530 -1.8449 -1.8449 -0.7738 -0.7738 2.0454 2.0467 2.2295 2.2313 2.4525 2.4529 2.5120 2.5131 2.9827 2.9828 3.3304 3.3304 3.5169 3.5171 3.9355 3.9356 4.1055 4.1055 4.4542 4.4545 4.9808 4.9810 5.2139 5.2140 6.7795 6.7795 9.7689 9.7690 10.3437 10.3441 10.8058 10.8064 11.2135 11.2136 11.5186 11.5189 12.5300 12.5300 k = 0.4643 0.5229-0.0000 ( 7578 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1433 -16.1433 -16.0371 -16.0371 -15.9711 -15.9711 -15.9570 -15.9570 -15.8610 -15.8610 -15.8530 -15.8530 -1.8523 -1.8523 -0.7684 -0.7684 2.0425 2.0443 2.2218 2.2244 2.4578 2.4584 2.5235 2.5250 2.9786 2.9787 3.3318 3.3318 3.5161 3.5163 3.9300 3.9302 4.1042 4.1043 4.4551 4.4556 5.0057 5.0060 5.2158 5.2159 6.7933 6.7933 9.7607 9.7609 10.2217 10.2222 10.8098 10.8104 11.2714 11.2717 11.5174 11.5179 12.5208 12.5208 k = 0.4524 0.5095-0.0000 ( 7582 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1433 -16.1433 -16.0371 -16.0371 -15.9711 -15.9711 -15.9571 -15.9570 -15.8610 -15.8610 -15.8530 -15.8530 -1.8626 -1.8626 -0.7609 -0.7609 2.0386 2.0409 2.2134 2.2165 2.4619 2.4625 2.5407 2.5423 2.9731 2.9732 3.3337 3.3337 3.5153 3.5155 3.9230 3.9233 4.1028 4.1029 4.4564 4.4570 5.0384 5.0388 5.2197 5.2199 6.8125 6.8125 9.7470 9.7473 10.0904 10.0909 10.7932 10.7936 11.3177 11.3184 11.5367 11.5375 12.5084 12.5084 k = 0.4405 0.4961-0.0000 ( 7578 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1433 -16.1433 -16.0371 -16.0371 -15.9711 -15.9711 -15.9571 -15.9571 -15.8610 -15.8610 -15.8530 -15.8530 -1.8756 -1.8756 -0.7514 -0.7513 2.0337 2.0365 2.2054 2.2089 2.4643 2.4649 2.5623 2.5638 2.9663 2.9665 3.3361 3.3361 3.5145 3.5148 3.9151 3.9154 4.1016 4.1017 4.4578 4.4585 5.0760 5.0764 5.2279 5.2281 6.8370 6.8371 9.7223 9.7227 9.9600 9.9607 10.7606 10.7610 11.3277 11.3284 11.5927 11.5935 12.4933 12.4933 k = 0.4286 0.4827-0.0000 ( 7570 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1433 -16.1433 -16.0370 -16.0370 -15.9711 -15.9711 -15.9570 -15.9570 -15.8610 -15.8610 -15.8530 -15.8530 -1.8913 -1.8913 -0.7397 -0.7397 2.0281 2.0311 2.1985 2.2023 2.4656 2.4660 2.5865 2.5880 2.9584 2.9587 3.3389 3.3389 3.5142 3.5144 3.9070 3.9074 4.1007 4.1009 4.4594 4.4602 5.1124 5.1128 5.2455 5.2457 6.8667 6.8667 9.6695 9.6701 9.8502 9.8510 10.7162 10.7165 11.3077 11.3083 11.6734 11.6741 12.4763 12.4763 k = 0.4167 0.4693-0.0000 ( 7566 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1432 -16.1432 -16.0370 -16.0370 -15.9711 -15.9711 -15.9571 -15.9570 -15.8610 -15.8610 -15.8530 -15.8530 -1.9094 -1.9094 -0.7260 -0.7260 2.0218 2.0251 2.1929 2.1969 2.4660 2.4663 2.6119 2.6132 2.9499 2.9502 3.3420 3.3421 3.5144 3.5146 3.8995 3.9000 4.1003 4.1005 4.4611 4.4620 5.1394 5.1396 5.2801 5.2801 6.9013 6.9013 9.5662 9.5667 9.7846 9.7853 10.6624 10.6627 11.2724 11.2730 11.7605 11.7611 12.4582 12.4582 k = 0.4048 0.4559-0.0000 ( 7560 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1432 -16.1432 -16.0369 -16.0369 -15.9711 -15.9711 -15.9570 -15.9570 -15.8609 -15.8609 -15.8529 -15.8529 -1.9298 -1.9298 -0.7103 -0.7103 2.0152 2.0185 2.1889 2.1929 2.4658 2.4660 2.6368 2.6380 2.9411 2.9414 3.3455 3.3456 3.5155 3.5156 3.8932 3.8938 4.1004 4.1006 4.4630 4.4639 5.1539 5.1540 5.3337 5.3338 6.9406 6.9407 9.4290 9.4293 9.7473 9.7477 10.6014 10.6016 11.2296 11.2300 11.8440 11.8445 12.4404 12.4404 k = 0.3929 0.4425-0.0000 ( 7540 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1432 -16.1432 -16.0368 -16.0368 -15.9710 -15.9710 -15.9570 -15.9570 -15.8609 -15.8609 -15.8529 -15.8529 -1.9524 -1.9524 -0.6926 -0.6926 2.0084 2.0117 2.1863 2.1904 2.4652 2.4653 2.6603 2.6613 2.9325 2.9328 3.3491 3.3493 3.5175 3.5176 3.8890 3.8897 4.1011 4.1012 4.4651 4.4661 5.1601 5.1602 5.4017 5.4018 6.9845 6.9846 9.2791 9.2794 9.7169 9.7173 10.5344 10.5346 11.1827 11.1832 11.9179 11.9184 12.4247 12.4247 k = 0.3810 0.4291-0.0000 ( 7536 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1431 -16.1431 -16.0367 -16.0367 -15.9710 -15.9710 -15.9570 -15.9570 -15.8609 -15.8609 -15.8529 -15.8529 -1.9769 -1.9769 -0.6731 -0.6730 2.0016 2.0049 2.1852 2.1891 2.4642 2.4644 2.6809 2.6818 2.9246 2.9249 3.3530 3.3533 3.5206 3.5206 3.8876 3.8884 4.1023 4.1025 4.4673 4.4684 5.1620 5.1621 5.4795 5.4796 7.0327 7.0328 9.1242 9.1244 9.6862 9.6866 10.4628 10.4630 11.1342 11.1346 11.9775 11.9779 12.4134 12.4135 k = 0.3690 0.4156-0.0000 ( 7530 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1431 -16.1431 -16.0367 -16.0367 -15.9710 -15.9710 -15.9570 -15.9570 -15.8609 -15.8609 -15.8528 -15.8528 -2.0031 -2.0030 -0.6517 -0.6517 1.9951 1.9983 2.1852 2.1889 2.4629 2.4632 2.6978 2.6986 2.9180 2.9183 3.3570 3.3574 3.5246 3.5247 3.8896 3.8905 4.1043 4.1045 4.4698 4.4709 5.1615 5.1616 5.5645 5.5647 7.0850 7.0850 8.9668 8.9670 9.6526 9.6529 10.3875 10.3876 11.0856 11.0860 12.0187 12.0191 12.4089 12.4091 k = 0.3571 0.4022-0.0000 ( 7520 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1431 -16.1431 -16.0366 -16.0366 -15.9709 -15.9709 -15.9570 -15.9570 -15.8608 -15.8608 -15.8528 -15.8528 -2.0307 -2.0307 -0.6286 -0.6285 1.9889 1.9920 2.1862 2.1898 2.4615 2.4618 2.7101 2.7106 2.9133 2.9136 3.3612 3.3617 3.5294 3.5297 3.8955 3.8967 4.1071 4.1073 4.4726 4.4737 5.1596 5.1598 5.6554 5.6556 7.1411 7.1411 8.8083 8.8085 9.6147 9.6150 10.3093 10.3095 11.0383 11.0387 12.0397 12.0401 12.4122 12.4124 k = 0.3452 0.3888-0.0000 ( 7520 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1431 -16.1431 -16.0365 -16.0365 -15.9709 -15.9709 -15.9570 -15.9570 -15.8608 -15.8608 -15.8528 -15.8528 -2.0597 -2.0597 -0.6037 -0.6037 1.9833 1.9862 2.1881 2.1915 2.4598 2.4602 2.7173 2.7177 2.9107 2.9109 3.3656 3.3662 3.5347 3.5352 3.9059 3.9071 4.1109 4.1110 4.4757 4.4769 5.1567 5.1570 5.7514 5.7516 7.2007 7.2008 8.6495 8.6497 9.5720 9.5722 10.2291 10.2292 10.9935 10.9939 12.0418 12.0422 12.4214 12.4215 k = 0.3333 0.3754-0.0000 ( 7518 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1430 -16.1430 -16.0364 -16.0364 -15.9709 -15.9709 -15.9570 -15.9570 -15.8608 -15.8608 -15.8528 -15.8527 -2.0898 -2.0898 -0.5774 -0.5773 1.9781 1.9809 2.1909 2.1941 2.4580 2.4585 2.7195 2.7198 2.9101 2.9102 3.3701 3.3708 3.5403 3.5409 3.9207 3.9221 4.1160 4.1162 4.4791 4.4804 5.1532 5.1534 5.8517 5.8519 7.2636 7.2637 8.4910 8.4912 9.5240 9.5243 10.1473 10.1474 10.9520 10.9524 12.0292 12.0295 12.4326 12.4327 k = 0.3214 0.3620-0.0000 ( 7512 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1430 -16.1430 -16.0363 -16.0363 -15.9709 -15.9709 -15.9570 -15.9570 -15.8608 -15.8608 -15.8527 -15.8527 -2.1207 -2.1207 -0.5495 -0.5494 1.9734 1.9760 2.1943 2.1973 2.4561 2.4567 2.7174 2.7176 2.9108 2.9110 3.3747 3.3754 3.5460 3.5467 3.9395 3.9410 4.1232 4.1233 4.4829 4.4842 5.1490 5.1494 5.9558 5.9560 7.3294 7.3295 8.3334 8.3336 9.4709 9.4711 10.0644 10.0646 10.9145 10.9149 12.0061 12.0065 12.4421 12.4422 k = 0.3095 0.3486-0.0000 ( 7516 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1430 -16.1430 -16.0362 -16.0362 -15.9709 -15.9709 -15.9571 -15.9570 -15.8608 -15.8608 -15.8527 -15.8527 -2.1522 -2.1522 -0.5202 -0.5202 1.9692 1.9717 2.1983 2.2011 2.4541 2.4547 2.7120 2.7122 2.9124 2.9125 3.3793 3.3801 3.5515 3.5522 3.9614 3.9630 4.1332 4.1333 4.4871 4.4886 5.1445 5.1449 6.0633 6.0635 7.3979 7.3980 8.1772 8.1774 9.4127 9.4129 9.9808 9.9810 10.8813 10.8817 11.9762 11.9765 12.4476 12.4477 k = 0.2976 0.3352-0.0000 ( 7512 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1430 -16.1430 -16.0362 -16.0362 -15.9709 -15.9709 -15.9571 -15.9570 -15.8608 -15.8608 -15.8527 -15.8527 -2.1842 -2.1842 -0.4897 -0.4896 1.9654 1.9678 2.2028 2.2054 2.4520 2.4527 2.7042 2.7045 2.9140 2.9142 3.3839 3.3848 3.5569 3.5577 3.9845 3.9861 4.1474 4.1476 4.4919 4.4934 5.1396 5.1400 6.1736 6.1739 7.4683 7.4685 8.0231 8.0233 9.3498 9.3501 9.8968 9.8970 10.8526 10.8529 11.9417 11.9420 12.4484 12.4485 k = 0.2857 0.3218-0.0000 ( 7510 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1430 -16.1430 -16.0361 -16.0361 -15.9709 -15.9709 -15.9571 -15.9570 -15.8608 -15.8608 -15.8526 -15.8526 -2.2164 -2.2164 -0.4580 -0.4580 1.9621 1.9643 2.2078 2.2102 2.4499 2.4507 2.6950 2.6953 2.9155 2.9156 3.3884 3.3892 3.5623 3.5630 4.0065 4.0081 4.1676 4.1679 4.4973 4.4989 5.1344 5.1349 6.2863 6.2866 7.5395 7.5397 7.8725 7.8728 9.2831 9.2833 9.8127 9.8129 10.8283 10.8286 11.9042 11.9045 12.4445 12.4446 k = 0.2738 0.3084-0.0000 ( 7512 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1430 -16.1430 -16.0360 -16.0360 -15.9709 -15.9709 -15.9571 -15.9571 -15.8607 -15.8607 -15.8526 -15.8526 -2.2487 -2.2487 -0.4254 -0.4253 1.9591 1.9611 2.2131 2.2154 2.4478 2.4487 2.6850 2.6854 2.9165 2.9166 3.3925 3.3933 3.5678 3.5685 4.0254 4.0269 4.1949 4.1956 4.5035 4.5052 5.1292 5.1297 6.4009 6.4011 7.6024 7.6029 7.7344 7.7350 9.2131 9.2133 9.7288 9.7290 10.8081 10.8084 11.8647 11.8651 12.4366 12.4367 k = 0.2619 0.2950-0.0000 ( 7495 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1429 -16.1429 -16.0359 -16.0359 -15.9708 -15.9708 -15.9571 -15.9571 -15.8607 -15.8607 -15.8526 -15.8526 -2.2808 -2.2808 -0.3919 -0.3919 1.9564 1.9583 2.2188 2.2209 2.4459 2.4468 2.6747 2.6752 2.9170 2.9171 3.3963 3.3970 3.5737 3.5743 4.0401 4.0414 4.2292 4.2302 4.5109 4.5128 5.1239 5.1246 6.5165 6.5168 7.5521 7.5525 7.7146 7.7150 9.1408 9.1410 9.6453 9.6455 10.7916 10.7920 11.8242 11.8245 12.4254 12.4255 k = 0.2500 0.2816-0.0000 ( 7491 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1429 -16.1429 -16.0358 -16.0358 -15.9708 -15.9708 -15.9571 -15.9571 -15.8607 -15.8607 -15.8526 -15.8526 -2.3126 -2.3126 -0.3578 -0.3577 1.9539 1.9557 2.2248 2.2267 2.4440 2.4450 2.6645 2.6650 2.9172 2.9173 3.3995 3.4002 3.5801 3.5806 4.0511 4.0523 4.2686 4.2700 4.5200 4.5220 5.1189 5.1196 6.6325 6.6328 7.4167 7.4169 7.7850 7.7851 9.0672 9.0674 9.5626 9.5628 10.7782 10.7786 11.7830 11.7833 12.4117 12.4119 k = 0.2381 0.2682-0.0000 ( 7497 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1429 -16.1429 -16.0357 -16.0357 -15.9708 -15.9708 -15.9571 -15.9571 -15.8606 -15.8606 -15.8526 -15.8526 -2.3440 -2.3440 -0.3232 -0.3231 1.9516 1.9532 2.2309 2.2326 2.4424 2.4433 2.6548 2.6553 2.9171 2.9173 3.4021 3.4027 3.5871 3.5875 4.0593 4.0604 4.3103 4.3119 4.5319 4.5341 5.1143 5.1151 6.7475 6.7478 7.2792 7.2794 7.8628 7.8629 8.9933 8.9936 9.4811 9.4813 10.7674 10.7678 11.7417 11.7420 12.3964 12.3966 k = 0.2262 0.2548-0.0000 ( 7489 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1428 -16.1428 -16.0356 -16.0356 -15.9708 -15.9708 -15.9571 -15.9571 -15.8606 -15.8606 -15.8525 -15.8525 -2.3747 -2.3747 -0.2882 -0.2882 1.9495 1.9509 2.2371 2.2386 2.4411 2.4420 2.6458 2.6463 2.9170 2.9172 3.4041 3.4047 3.5947 3.5950 4.0657 4.0667 4.3507 4.3526 4.5482 4.5504 5.1106 5.1115 6.8579 6.8583 7.1479 7.1481 7.9426 7.9427 8.9205 8.9207 9.4011 9.4013 10.7585 10.7589 11.7007 11.7010 12.3800 12.3802 k = 0.2143 0.2413-0.0000 ( 7501 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1429 -16.1429 -16.0355 -16.0355 -15.9708 -15.9708 -15.9571 -15.9571 -15.8606 -15.8606 -15.8525 -15.8525 -2.4047 -2.4047 -0.2532 -0.2531 1.9474 1.9487 2.2432 2.2446 2.4401 2.4410 2.6376 2.6382 2.9170 2.9172 3.4055 3.4060 3.6028 3.6031 4.0707 4.0717 4.3862 4.3880 4.5709 4.5730 5.1082 5.1093 6.9348 6.9356 7.0515 7.0521 8.0231 8.0232 8.8500 8.8503 9.3231 9.3234 10.7506 10.7510 11.6602 11.6606 12.3629 12.3632 k = 0.2024 0.2279-0.0000 ( 7505 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1429 -16.1429 -16.0354 -16.0354 -15.9708 -15.9708 -15.9572 -15.9572 -15.8606 -15.8606 -15.8525 -15.8525 -2.4338 -2.4338 -0.2183 -0.2182 1.9453 1.9465 2.2491 2.2504 2.4396 2.4405 2.6305 2.6310 2.9173 2.9174 3.4064 3.4068 3.6115 3.6117 4.0750 4.0760 4.4137 4.4153 4.6013 4.6031 5.1080 5.1092 6.8606 6.8610 7.1079 7.1080 8.1036 8.1036 8.7837 8.7840 9.2476 9.2479 10.7429 10.7434 11.6206 11.6209 12.3457 12.3460 k = 0.1905 0.2145-0.0000 ( 7509 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1429 -16.1429 -16.0354 -16.0354 -15.9708 -15.9708 -15.9572 -15.9572 -15.8606 -15.8606 -15.8525 -15.8525 -2.4618 -2.4618 -0.1836 -0.1836 1.9433 1.9444 2.2548 2.2559 2.4397 2.4405 2.6246 2.6251 2.9179 2.9180 3.4067 3.4070 3.6204 3.6206 4.0788 4.0798 4.4327 4.4339 4.6381 4.6394 5.1108 5.1122 6.7446 6.7449 7.2052 7.2052 8.1833 8.1834 8.7238 8.7241 9.1752 9.1755 10.7348 10.7352 11.5820 11.5823 12.3286 12.3289 k = 0.1786 0.2011-0.0000 ( 7509 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1429 -16.1428 -16.0353 -16.0353 -15.9708 -15.9708 -15.9572 -15.9572 -15.8606 -15.8606 -15.8525 -15.8525 -2.4887 -2.4887 -0.1496 -0.1495 1.9413 1.9423 2.2600 2.2609 2.4403 2.4410 2.6201 2.6205 2.9190 2.9191 3.4065 3.4069 3.6294 3.6297 4.0823 4.0833 4.4443 4.4451 4.6777 4.6785 5.1182 5.1197 6.6298 6.6300 7.2983 7.2984 8.2615 8.2615 8.6730 8.6734 9.1067 9.1071 10.7252 10.7256 11.5446 11.5450 12.3119 12.3123 k = 0.1667 0.1877-0.0000 ( 7509 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1428 -16.1428 -16.0352 -16.0352 -15.9708 -15.9708 -15.9572 -15.9572 -15.8606 -15.8606 -15.8525 -15.8524 -2.5143 -2.5143 -0.1163 -0.1162 1.9393 1.9402 2.2646 2.2654 2.4415 2.4421 2.6169 2.6173 2.9207 2.9209 3.4061 3.4063 3.6383 3.6386 4.0858 4.0869 4.4505 4.4509 4.7160 4.7164 5.1317 5.1332 6.5201 6.5203 7.3805 7.3807 8.3367 8.3369 8.6350 8.6354 9.0431 9.0435 10.7133 10.7138 11.5087 11.5090 12.2957 12.2961 k = 0.1548 0.1743-0.0000 ( 7519 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1429 -16.1429 -16.0352 -16.0352 -15.9708 -15.9708 -15.9572 -15.9572 -15.8606 -15.8606 -15.8525 -15.8525 -2.5386 -2.5386 -0.0840 -0.0839 1.9372 1.9380 2.2686 2.2692 2.4433 2.4437 2.6153 2.6156 2.9231 2.9233 3.4053 3.4055 3.6467 3.6471 4.0895 4.0905 4.4523 4.4525 4.7495 4.7496 5.1527 5.1543 6.4168 6.4170 7.4472 7.4475 8.4074 8.4077 8.6135 8.6141 8.9861 8.9865 10.6983 10.6987 11.4743 11.4746 12.2802 12.2806 k = 0.1429 0.1609-0.0000 ( 7501 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1428 -16.1428 -16.0351 -16.0351 -15.9707 -15.9707 -15.9572 -15.9572 -15.8605 -15.8605 -15.8524 -15.8524 -2.5614 -2.5614 -0.0529 -0.0528 1.9352 1.9359 2.2718 2.2723 2.4454 2.4457 2.6153 2.6155 2.9262 2.9264 3.4043 3.4045 3.6546 3.6550 4.0934 4.0945 4.4504 4.4507 4.7759 4.7762 5.1821 5.1837 6.3206 6.3208 7.4945 7.4948 8.4711 8.4717 8.6116 8.6125 8.9385 8.9390 10.6792 10.6795 11.4415 11.4418 12.2655 12.2660 k = 0.1310 0.1475-0.0000 ( 7497 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1428 -16.1428 -16.0350 -16.0350 -15.9707 -15.9707 -15.9572 -15.9572 -15.8604 -15.8604 -15.8524 -15.8524 -2.5827 -2.5827 -0.0233 -0.0232 1.9332 1.9339 2.2743 2.2748 2.4478 2.4480 2.6169 2.6171 2.9301 2.9303 3.4031 3.4034 3.6615 3.6620 4.0978 4.0990 4.4454 4.4458 4.7951 4.7954 5.2193 5.2208 6.2323 6.2325 7.5202 7.5205 8.5254 8.5267 8.6278 8.6295 8.9057 8.9063 10.6552 10.6556 11.4106 11.4108 12.2517 12.2522 k = 0.1190 0.1341-0.0000 ( 7489 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1428 -16.1428 -16.0349 -16.0349 -15.9707 -15.9707 -15.9572 -15.9572 -15.8604 -15.8604 -15.8523 -15.8523 -2.6023 -2.6023 0.0046 0.0047 1.9313 1.9319 2.2762 2.2765 2.4502 2.4503 2.6199 2.6201 2.9349 2.9350 3.4019 3.4021 3.6673 3.6678 4.1028 4.1040 4.4374 4.4380 4.8078 4.8081 5.2626 5.2640 6.1523 6.1525 7.5249 7.5252 8.5669 8.5688 8.6567 8.6590 8.8959 8.8966 10.6258 10.6261 11.3815 11.3818 12.2388 12.2393 k = 0.1071 0.1207-0.0000 ( 7487 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1428 -16.1428 -16.0348 -16.0348 -15.9707 -15.9707 -15.9572 -15.9572 -15.8604 -15.8604 -15.8523 -15.8523 -2.6203 -2.6203 0.0306 0.0306 1.9294 1.9299 2.2774 2.2777 2.4525 2.4526 2.6242 2.6245 2.9404 2.9405 3.4005 3.4007 3.6718 3.6724 4.1086 4.1098 4.4267 4.4275 4.8154 4.8158 5.3096 5.3109 6.0812 6.0814 7.5119 7.5122 8.5855 8.5870 8.6995 8.7014 8.9155 8.9161 10.5905 10.5908 11.3546 11.3548 12.2271 12.2276 k = 0.0952 0.1073-0.0000 ( 7495 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1428 -16.1428 -16.0348 -16.0348 -15.9707 -15.9707 -15.9572 -15.9572 -15.8604 -15.8604 -15.8523 -15.8523 -2.6366 -2.6366 0.0544 0.0545 1.9277 1.9281 2.2781 2.2784 2.4545 2.4547 2.6297 2.6299 2.9465 2.9467 3.3992 3.3994 3.6748 3.6755 4.1152 4.1165 4.4135 4.4144 4.8196 4.8199 5.3578 5.3589 6.0194 6.0196 7.4858 7.4861 8.5790 8.5799 8.7564 8.7577 8.9604 8.9610 10.5492 10.5495 11.3300 11.3301 12.2165 12.2170 k = 0.0833 0.0939-0.0000 ( 7507 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1428 -16.1428 -16.0348 -16.0348 -15.9708 -15.9708 -15.9573 -15.9573 -15.8604 -15.8604 -15.8523 -15.8523 -2.6511 -2.6511 0.0760 0.0760 1.9260 1.9264 2.2785 2.2787 2.4563 2.4565 2.6358 2.6361 2.9533 2.9535 3.3978 3.3980 3.6765 3.6772 4.1228 4.1241 4.3982 4.3993 4.8216 4.8219 5.4045 5.4054 5.9675 5.9677 7.4515 7.4518 8.5596 8.5601 8.8184 8.8192 9.0218 9.0222 10.5022 10.5024 11.3078 11.3079 12.2073 12.2078 k = 0.0714 0.0804-0.0000 ( 7513 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1428 -16.1428 -16.0348 -16.0348 -15.9708 -15.9708 -15.9573 -15.9573 -15.8604 -15.8604 -15.8523 -15.8523 -2.6637 -2.6637 0.0950 0.0951 1.9246 1.9249 2.2785 2.2787 2.4577 2.4580 2.6422 2.6425 2.9604 2.9606 3.3965 3.3967 3.6769 3.6775 4.1313 4.1326 4.3814 4.3826 4.8224 4.8226 5.4473 5.4481 5.9259 5.9261 7.4130 7.4133 8.5362 8.5365 8.8781 8.8786 9.0931 9.0934 10.4503 10.4505 11.2883 11.2884 12.1994 12.1998 k = 0.0595 0.0670-0.0000 ( 7505 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1428 -16.1428 -16.0347 -16.0347 -15.9708 -15.9708 -15.9573 -15.9573 -15.8604 -15.8604 -15.8523 -15.8523 -2.6745 -2.6745 0.1114 0.1115 1.9233 1.9235 2.2784 2.2786 2.4589 2.4591 2.6485 2.6488 2.9676 2.9677 3.3953 3.3955 3.6762 3.6768 4.1406 4.1419 4.3637 4.3649 4.8225 4.8226 5.4841 5.4847 5.8949 5.8950 7.3741 7.3744 8.5133 8.5135 8.9312 8.9315 9.1695 9.1697 10.3948 10.3950 11.2715 11.2716 12.1928 12.1932 k = 0.0476 0.0536-0.0000 ( 7501 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1428 -16.1428 -16.0347 -16.0347 -15.9708 -15.9708 -15.9573 -15.9573 -15.8604 -15.8604 -15.8523 -15.8523 -2.6833 -2.6833 0.1250 0.1251 1.9222 1.9224 2.2782 2.2783 2.4598 2.4600 2.6542 2.6545 2.9744 2.9745 3.3942 3.3943 3.6748 3.6753 4.1505 4.1517 4.3461 4.3472 4.8223 4.8224 5.5131 5.5135 5.8741 5.8742 7.3377 7.3379 8.4930 8.4932 8.9757 8.9758 9.2463 9.2464 10.3383 10.3384 11.2577 11.2577 12.1877 12.1880 k = 0.0357 0.0402-0.0000 ( 7501 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1428 -16.1428 -16.0347 -16.0347 -15.9707 -15.9707 -15.9573 -15.9573 -15.8604 -15.8604 -15.8523 -15.8523 -2.6902 -2.6902 0.1357 0.1358 1.9213 1.9214 2.2780 2.2781 2.4604 2.4606 2.6591 2.6593 2.9804 2.9805 3.3933 3.3934 3.6731 3.6735 4.1604 4.1616 4.3295 4.3306 4.8220 4.8221 5.5337 5.5340 5.8624 5.8625 7.3064 7.3066 8.4765 8.4766 9.0107 9.0108 9.3180 9.3181 10.2841 10.2842 11.2468 11.2469 12.1838 12.1840 k = 0.0238 0.0268-0.0000 ( 7501 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1428 -16.1428 -16.0346 -16.0346 -15.9708 -15.9708 -15.9572 -15.9572 -15.8604 -15.8604 -15.8523 -15.8523 -2.6952 -2.6952 0.1434 0.1435 1.9207 1.9208 2.2778 2.2779 2.4609 2.4610 2.6628 2.6629 2.9851 2.9852 3.3925 3.3926 3.6715 3.6718 4.1695 4.1704 4.3155 4.3164 4.8218 4.8219 5.5467 5.5468 5.8574 5.8574 7.2824 7.2825 8.4644 8.4644 9.0359 9.0359 9.3781 9.3781 10.2375 10.2375 11.2391 11.2391 12.1811 12.1813 k = 0.0119 0.0134-0.0000 ( 7501 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1428 -16.1428 -16.0346 -16.0346 -15.9707 -15.9707 -15.9573 -15.9573 -15.8604 -15.8604 -15.8523 -15.8523 -2.6982 -2.6982 0.1481 0.1481 1.9203 1.9203 2.2777 2.2777 2.4611 2.4612 2.6651 2.6651 2.9882 2.9882 3.3921 3.3921 3.6704 3.6705 4.1762 4.1767 4.3059 4.3064 4.8217 4.8217 5.5534 5.5535 5.8561 5.8561 7.2672 7.2673 8.4570 8.4570 9.0510 9.0511 9.4189 9.4190 10.2050 10.2050 11.2344 11.2344 12.1796 12.1796 k = 0.0000 0.0000 0.0000 ( 7501 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1428 -16.1428 -16.0346 -16.0346 -15.9707 -15.9707 -15.9573 -15.9573 -15.8604 -15.8604 -15.8523 -15.8523 -2.6992 -2.6992 0.1497 0.1497 1.9202 1.9202 2.2776 2.2776 2.4612 2.4612 2.6659 2.6659 2.9892 2.9892 3.3920 3.3920 3.6700 3.6700 4.1789 4.1789 4.3026 4.3026 4.8216 4.8216 5.5555 5.5555 5.8559 5.8559 7.2621 7.2621 8.4545 8.4545 9.0561 9.0561 9.4336 9.4336 10.1932 10.1932 11.2328 11.2328 12.1791 12.1791 k = 0.0000 0.0000 0.0000 ( 7501 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1428 -16.1428 -16.0346 -16.0346 -15.9707 -15.9707 -15.9573 -15.9573 -15.8604 -15.8604 -15.8523 -15.8523 -2.6992 -2.6992 0.1497 0.1497 1.9202 1.9202 2.2776 2.2776 2.4612 2.4612 2.6659 2.6659 2.9892 2.9892 3.3920 3.3920 3.6700 3.6700 4.1789 4.1789 4.3026 4.3026 4.8216 4.8216 5.5555 5.5555 5.8559 5.8559 7.2621 7.2621 8.4545 8.4545 9.0561 9.0561 9.4336 9.4336 10.1932 10.1932 11.2328 11.2328 12.1791 12.1791 k = 0.0115-0.0102 0.0094 ( 7501 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1428 -16.1427 -16.0346 -16.0346 -15.9708 -15.9707 -15.9573 -15.9572 -15.8604 -15.8604 -15.8523 -15.8523 -2.6983 -2.6982 0.1474 0.1485 1.9186 1.9222 2.2747 2.2814 2.4596 2.4641 2.6635 2.6681 2.9861 2.9927 3.3906 3.3929 3.6640 3.6759 4.1759 4.1815 4.2984 4.3057 4.8141 4.8272 5.5479 5.5632 5.8395 5.8596 7.2661 7.2803 8.4400 8.4561 9.0525 9.0726 9.4299 9.4369 10.1899 10.2032 11.2093 11.2170 12.1400 12.1975 k = 0.0229-0.0203 0.0187 ( 7501 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1428 -16.1427 -16.0347 -16.0346 -15.9708 -15.9707 -15.9573 -15.9572 -15.8604 -15.8604 -15.8523 -15.8523 -2.6957 -2.6953 0.1419 0.1440 1.9175 1.9246 2.2728 2.2859 2.4590 2.4680 2.6609 2.6701 2.9835 2.9965 3.3886 3.3935 3.6581 3.6817 4.1725 4.1836 4.2931 4.3076 4.8046 4.8307 5.5396 5.5693 5.8136 5.8512 7.2924 7.3190 8.4143 8.4445 9.0620 9.1003 9.4258 9.4399 10.1933 10.2200 11.1517 11.1634 12.0921 12.1775 k = 0.0344-0.0305 0.0281 ( 7501 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1428 -16.1427 -16.0347 -16.0346 -15.9708 -15.9707 -15.9573 -15.9572 -15.8604 -15.8603 -15.8523 -15.8523 -2.6911 -2.6906 0.1331 0.1362 1.9168 1.9274 2.2717 2.2911 2.4594 2.4731 2.6583 2.6719 2.9814 3.0005 3.3860 3.3937 3.6523 3.6873 4.1688 4.1851 4.2869 4.3082 4.7934 4.8322 5.5280 5.5690 5.7857 5.8354 7.3389 7.3750 8.3797 8.4212 9.0832 9.1368 9.4209 9.4424 10.2033 10.2438 11.0687 11.0793 12.0377 12.1304 k = 0.0458-0.0407 0.0374 ( 7501 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1428 -16.1427 -16.0347 -16.0346 -15.9708 -15.9707 -15.9573 -15.9572 -15.8604 -15.8603 -15.8523 -15.8523 -2.6848 -2.6841 0.1212 0.1251 1.9165 1.9307 2.2715 2.2969 2.4607 2.4793 2.6557 2.6734 2.9798 3.0047 3.3824 3.3935 3.6469 3.6926 4.1648 4.1858 4.2799 4.3077 4.7807 4.8317 5.5090 5.5536 5.7680 5.8192 7.4023 7.4447 8.3387 8.3885 9.1139 9.1798 9.4146 9.4440 10.2196 10.2744 10.9696 10.9744 11.9778 12.0726 k = 0.0573-0.0508 0.0468 ( 7507 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1428 -16.1427 -16.0347 -16.0346 -15.9708 -15.9707 -15.9573 -15.9572 -15.8604 -15.8604 -15.8524 -15.8524 -2.6767 -2.6758 0.1063 0.1110 1.9167 1.9344 2.2722 2.3033 2.4629 2.4866 2.6530 2.6745 2.9787 3.0088 3.3777 3.3930 3.6421 3.6978 4.1605 4.1857 4.2724 4.3059 4.7666 4.8294 5.4779 5.5169 5.7694 5.8102 7.4790 7.5243 8.2931 8.3490 9.1514 9.2273 9.4063 9.4443 10.2421 10.3120 10.8577 10.8623 11.9137 12.0097 k = 0.0687-0.0610 0.0561 ( 7505 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1428 -16.1427 -16.0348 -16.0347 -15.9708 -15.9707 -15.9573 -15.9572 -15.8604 -15.8604 -15.8524 -15.8524 -2.6667 -2.6657 0.0886 0.0940 1.9172 1.9385 2.2738 2.3101 2.4658 2.4949 2.6504 2.6753 2.9783 3.0128 3.3716 3.3921 3.6380 3.7027 4.1560 4.1843 4.2649 4.3030 4.7512 4.8253 5.4330 5.4630 5.7884 5.8131 7.5655 7.6107 8.2446 8.3048 9.1937 9.2775 9.3953 9.4427 10.2699 10.3564 10.7369 10.7540 11.8467 11.9436 k = 0.0802-0.0712 0.0655 ( 7511 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1428 -16.1427 -16.0348 -16.0347 -15.9708 -15.9707 -15.9573 -15.9572 -15.8605 -15.8604 -15.8524 -15.8524 -2.6551 -2.6538 0.0683 0.0742 1.9182 1.9430 2.2761 2.3172 2.4693 2.5041 2.6478 2.6757 2.9785 3.0164 3.3639 3.3907 3.6350 3.7073 4.1514 4.1814 4.2577 4.2990 4.7348 4.8198 5.3759 5.3994 5.8194 5.8284 7.6580 7.7005 8.1946 8.2580 9.2384 9.3278 9.3810 9.4396 10.3014 10.4072 10.6186 10.6518 11.7782 11.8755 k = 0.0916-0.0813 0.0748 ( 7512 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1428 -16.1427 -16.0349 -16.0347 -15.9708 -15.9707 -15.9573 -15.9572 -15.8605 -15.8604 -15.8525 -15.8525 -2.6417 -2.6402 0.0457 0.0520 1.9195 1.9479 2.2792 2.3246 2.4733 2.5142 2.6452 2.6758 2.9792 3.0196 3.3543 3.3887 3.6331 3.7117 4.1465 4.1765 4.2514 4.2939 4.7174 4.8129 5.3102 5.3314 5.8542 5.8583 7.7530 7.7901 8.1453 8.2107 9.2805 9.3662 9.3688 9.4421 10.3310 10.4568 10.5161 10.5658 11.7091 11.8065 k = 0.1031-0.0915 0.0842 ( 7516 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1429 -16.1427 -16.0349 -16.0347 -15.9708 -15.9707 -15.9573 -15.9572 -15.8605 -15.8604 -15.8526 -15.8525 -2.6266 -2.6250 0.0209 0.0275 1.9213 1.9532 2.2829 2.3321 2.4776 2.5251 2.6428 2.6754 2.9806 3.0221 3.3427 3.3863 3.6326 3.7159 4.1416 4.1693 4.2463 4.2879 4.6992 4.8048 5.2394 5.2624 5.8883 5.9030 7.8448 7.8727 8.1015 8.1666 9.2971 9.3718 9.3760 9.4725 10.3413 10.3989 10.5177 10.5404 11.6402 11.7372 k = 0.1145-0.1017 0.0936 ( 7528 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1429 -16.1427 -16.0350 -16.0348 -15.9709 -15.9708 -15.9573 -15.9572 -15.8605 -15.8604 -15.8526 -15.8526 -2.6100 -2.6081 -0.0058 0.0009 1.9234 1.9589 2.2872 2.3397 2.4820 2.5366 2.6405 2.6746 2.9825 3.0236 3.3292 3.3832 3.6334 3.7197 4.1366 4.1600 4.2427 4.2810 4.6803 4.7958 5.1662 5.1942 5.9286 5.9520 7.9212 7.9278 8.0818 8.1362 9.2728 9.3545 9.4126 9.5244 10.3139 10.3171 10.5288 10.6122 11.5721 11.6683 k = 0.1260-0.1118 0.1029 ( 7528 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1429 -16.1427 -16.0351 -16.0348 -15.9709 -15.9707 -15.9572 -15.9572 -15.8605 -15.8604 -15.8527 -15.8527 -2.5917 -2.5896 -0.0341 -0.0274 1.9259 1.9650 2.2919 2.3473 2.4865 2.5485 2.6384 2.6734 2.9849 3.0238 3.3141 3.3794 3.6354 3.7232 4.1316 4.1486 4.2404 4.2733 4.6607 4.7860 5.0924 5.1283 5.9738 6.0043 7.9222 7.9525 8.1170 8.1463 9.2331 9.3199 9.4640 9.5823 10.2529 10.2725 10.5777 10.6929 11.5054 11.6001 k = 0.1374-0.1220 0.1123 ( 7522 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1429 -16.1427 -16.0352 -16.0348 -15.9708 -15.9707 -15.9572 -15.9572 -15.8605 -15.8604 -15.8527 -15.8527 -2.5719 -2.5696 -0.0638 -0.0572 1.9286 1.9714 2.2970 2.3547 2.4907 2.5608 2.6366 2.6719 2.9879 3.0221 3.2977 3.3750 3.6386 3.7263 4.1265 4.1357 4.2393 4.2648 4.6406 4.7756 5.0197 5.0657 6.0224 6.0590 7.8810 7.9308 8.1791 8.2013 9.1891 9.2790 9.5187 9.6424 10.2081 10.2381 10.6437 10.7812 11.4403 11.5333 k = 0.1489-0.1322 0.1216 ( 7534 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1429 -16.1427 -16.0353 -16.0349 -15.9709 -15.9707 -15.9572 -15.9572 -15.8606 -15.8604 -15.8528 -15.8528 -2.5507 -2.5482 -0.0947 -0.0883 1.9318 1.9781 2.3023 2.3620 2.4945 2.5730 2.6352 2.6700 2.9913 3.0180 3.2808 3.3700 3.6427 3.7290 4.1216 4.1216 4.2389 4.2556 4.6200 4.7647 4.9490 5.0070 6.0733 6.1149 7.8302 7.8872 8.2380 8.2654 9.1486 9.2387 9.5749 9.7037 10.1820 10.2161 10.7203 10.8767 11.3773 11.4682 k = 0.1603-0.1423 0.1310 ( 7536 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1430 -16.1427 -16.0354 -16.0349 -15.9709 -15.9707 -15.9572 -15.9572 -15.8606 -15.8605 -15.8529 -15.8528 -2.5281 -2.5254 -0.1264 -0.1204 1.9351 1.9852 2.3077 2.3690 2.4977 2.5849 2.6346 2.6678 2.9952 3.0108 3.2641 3.3642 3.6474 3.7313 4.1068 4.1166 4.2392 4.2458 4.5990 4.7535 4.8814 4.9528 6.1251 6.1710 7.7767 7.8368 8.2824 8.3171 9.1212 9.2071 9.6322 9.7658 10.1721 10.2067 10.8053 10.9788 11.3167 11.4055 k = 0.1718-0.1525 0.1403 ( 7532 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1430 -16.1427 -16.0354 -16.0349 -15.9709 -15.9707 -15.9572 -15.9571 -15.8606 -15.8605 -15.8529 -15.8529 -2.5042 -2.5013 -0.1589 -0.1533 1.9388 1.9925 2.3131 2.3757 2.5001 2.5955 2.6355 2.6654 2.9995 2.9997 3.2486 3.3577 3.6526 3.7330 4.0916 4.1117 4.2354 4.2400 4.5777 4.7420 4.8175 4.9033 6.1764 6.2260 7.7222 7.7838 8.3066 8.3462 9.1160 9.1926 9.6903 9.8284 10.1758 10.2086 10.8974 11.0859 11.2592 11.3470 k = 0.1832-0.1627 0.1497 ( 7520 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1430 -16.1427 -16.0355 -16.0349 -15.9709 -15.9707 -15.9572 -15.9571 -15.8606 -15.8605 -15.8529 -15.8529 -2.4791 -2.4760 -0.1919 -0.1867 1.9426 2.0000 2.3185 2.3820 2.5016 2.6034 2.6392 2.6627 2.9839 3.0042 3.2354 3.3506 3.6578 3.7341 4.0763 4.1068 4.2245 4.2412 4.5562 4.7303 4.7583 4.8587 6.2256 6.2782 7.6678 7.7299 8.3088 8.3493 9.1380 9.2000 9.7489 9.8912 10.1903 10.2202 10.9944 11.1866 11.2069 11.3038 k = 0.1947-0.1728 0.1590 ( 7520 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1430 -16.1427 -16.0356 -16.0350 -15.9709 -15.9707 -15.9572 -15.9570 -15.8606 -15.8605 -15.8530 -15.8529 -2.4529 -2.4495 -0.2252 -0.2205 1.9467 2.0078 2.3236 2.3878 2.5019 2.6077 2.6466 2.6598 2.9633 3.0093 3.2249 3.3429 3.6629 3.7346 4.0613 4.1018 4.2131 4.2427 4.5349 4.7022 4.7204 4.8190 6.2709 6.3259 7.6138 7.6759 8.2926 8.3311 9.1854 9.2294 9.8080 9.9541 10.2138 10.2396 11.0807 11.1750 11.2014 11.3555 k = 0.2061-0.1830 0.1684 ( 7532 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1430 -16.1427 -16.0357 -16.0350 -15.9709 -15.9707 -15.9572 -15.9570 -15.8606 -15.8605 -15.8530 -15.8530 -2.4256 -2.4220 -0.2586 -0.2544 1.9509 2.0158 2.3285 2.3930 2.5009 2.6088 2.6568 2.6570 2.9380 3.0148 3.2173 3.3347 3.6675 3.7344 4.0466 4.0967 4.2014 4.2444 4.5138 4.6534 4.7088 4.7843 6.3104 6.3669 7.5605 7.6221 8.2654 8.3006 9.2515 9.2768 9.8674 10.0171 10.2443 10.2656 11.0795 11.1560 11.2404 11.4763 k = 0.2176-0.1932 0.1777 ( 7538 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1431 -16.1427 -16.0359 -16.0351 -15.9709 -15.9708 -15.9572 -15.9570 -15.8606 -15.8606 -15.8531 -15.8530 -2.3975 -2.3936 -0.2919 -0.2883 1.9553 2.0239 2.3330 2.3976 2.4986 2.6083 2.6535 2.6689 2.9084 3.0205 3.2126 3.3261 3.6715 3.7334 4.0326 4.0915 4.1894 4.2462 4.4934 4.6097 4.6980 4.7541 6.3417 6.3989 7.5080 7.5689 8.2356 8.2675 9.3297 9.3372 9.9270 10.0798 10.2808 10.2967 11.0396 11.1063 11.3543 11.6101 k = 0.2290-0.2033 0.1871 ( 7542 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1431 -16.1427 -16.0360 -16.0351 -15.9710 -15.9708 -15.9573 -15.9570 -15.8607 -15.8606 -15.8531 -15.8531 -2.3685 -2.3645 -0.3249 -0.3219 1.9597 2.0321 2.3370 2.4015 2.4950 2.6067 2.6501 2.6814 2.8757 3.0264 3.2104 3.3171 3.6745 3.7317 4.0195 4.0859 4.1771 4.2480 4.4739 4.5717 4.6878 4.7285 6.3629 6.4197 7.4565 7.5163 8.2106 8.2394 9.4062 9.4149 9.9867 10.1422 10.3221 10.3317 10.9992 11.0582 11.4785 11.7507 k = 0.2405-0.2135 0.1965 ( 7542 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1431 -16.1427 -16.0361 -16.0352 -15.9710 -15.9708 -15.9573 -15.9569 -15.8607 -15.8606 -15.8532 -15.8531 -2.3389 -2.3346 -0.3576 -0.3552 1.9642 2.0403 2.3404 2.4046 2.4900 2.6046 2.6463 2.6936 2.8408 3.0325 3.2101 3.3081 3.6765 3.7292 4.0072 4.0799 4.1647 4.2496 4.4557 4.5396 4.6783 4.7070 6.3722 6.4273 7.4060 7.4647 8.1962 8.2218 9.4805 9.5039 10.0463 10.2042 10.3672 10.3690 10.9630 11.0134 11.6088 11.8967 k = 0.2519-0.2237 0.2058 ( 7546 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1431 -16.1427 -16.0362 -16.0353 -15.9710 -15.9708 -15.9573 -15.9569 -15.8607 -15.8607 -15.8532 -15.8531 -2.3087 -2.3042 -0.3897 -0.3879 1.9687 2.0486 2.3431 2.4068 2.4839 2.6020 2.6423 2.7047 2.8055 3.0387 3.2113 3.2992 3.6772 3.7259 3.9961 4.0733 4.1524 4.2510 4.4392 4.5133 4.6698 4.6895 6.3682 6.4206 7.3565 7.4140 8.1964 8.2183 9.5578 9.5946 10.1058 10.2657 10.4068 10.4149 10.9329 10.9728 11.7439 12.0471 k = 0.2634-0.2338 0.2152 ( 7554 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1432 -16.1428 -16.0363 -16.0354 -15.9710 -15.9708 -15.9573 -15.9569 -15.8607 -15.8607 -15.8532 -15.8532 -2.2781 -2.2734 -0.4211 -0.4199 1.9732 2.0569 2.3450 2.4081 2.4768 2.5989 2.6379 2.7113 2.7737 3.0448 3.2138 3.2906 3.6765 3.7217 3.9860 4.0663 4.1405 4.2517 4.4247 4.4924 4.6623 4.6757 6.3507 6.3995 7.3081 7.3644 8.2130 8.2307 9.6367 9.6855 10.1650 10.3264 10.4428 10.4634 10.9113 10.9382 11.8824 12.2012 k = 0.2748-0.2440 0.2245 ( 7552 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1432 -16.1428 -16.0364 -16.0354 -15.9710 -15.9708 -15.9573 -15.9568 -15.8607 -15.8607 -15.8532 -15.8532 -2.2473 -2.2424 -0.4517 -0.4511 1.9776 2.0650 2.3459 2.4083 2.4690 2.5956 2.6330 2.7018 2.7578 3.0507 3.2172 3.2826 3.6744 3.7166 3.9770 4.0587 4.1290 4.2515 4.4126 4.4766 4.6561 4.6654 6.3204 6.3648 7.2608 7.3161 8.2463 8.2594 9.7160 9.7758 10.2237 10.3861 10.4739 10.5103 10.9011 10.9119 12.0234 12.3579 k = 0.2863-0.2542 0.2339 ( 7554 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1432 -16.1428 -16.0365 -16.0355 -15.9710 -15.9708 -15.9573 -15.9568 -15.8608 -15.8607 -15.8532 -15.8532 -2.2163 -2.2113 -0.4814 -0.4814 1.9818 2.0730 2.3458 2.4071 2.4608 2.5917 2.6277 2.6732 2.7615 3.0563 3.2213 3.2754 3.6709 3.7105 3.9691 4.0506 4.1183 4.2501 4.4031 4.4653 4.6514 4.6586 6.2785 6.3182 7.2147 7.2691 8.2953 8.3036 9.7951 9.8647 10.2819 10.4447 10.4968 10.5514 10.8980 10.9053 12.1653 12.5162 k = 0.2977-0.2643 0.2432 ( 7558 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1432 -16.1428 -16.0366 -16.0356 -15.9710 -15.9708 -15.9574 -15.9568 -15.8608 -15.8607 -15.8533 -15.8532 -2.1854 -2.1802 -0.5106 -0.5101 1.9859 2.0808 2.3445 2.4043 2.4526 2.5875 2.6219 2.6395 2.7716 3.0613 3.2260 3.2693 3.6660 3.7036 3.9622 4.0421 4.1085 4.2474 4.3964 4.4578 4.6485 4.6552 6.2271 6.2619 7.1701 7.2235 8.3581 8.3617 9.8732 9.9517 10.3394 10.5012 10.5098 10.5821 10.9018 10.9256 12.3066 12.6750 k = 0.3092-0.2745 0.2526 ( 7560 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1432 -16.1428 -16.0367 -16.0357 -15.9711 -15.9709 -15.9574 -15.9568 -15.8608 -15.8608 -15.8533 -15.8532 -2.1547 -2.1494 -0.5387 -0.5376 1.9898 2.0883 2.3418 2.3994 2.4447 2.5828 2.6065 2.6156 2.7833 3.0656 3.2312 3.2645 3.6598 3.6956 3.9562 4.0334 4.0997 4.2432 4.3925 4.4534 4.6477 4.6550 6.1681 6.1982 7.1272 7.1795 8.4319 8.4328 9.9500 10.0362 10.3960 10.5136 10.5513 10.6027 10.9269 10.9613 12.4451 12.8325 k = 0.3206-0.2847 0.2619 ( 7548 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1432 -16.1428 -16.0368 -16.0357 -15.9710 -15.9708 -15.9573 -15.9567 -15.8608 -15.8607 -15.8532 -15.8532 -2.1245 -2.1191 -0.5655 -0.5640 1.9935 2.0954 2.3377 2.3919 2.4375 2.5751 2.5787 2.6089 2.7956 3.0689 3.2368 3.2613 3.6524 3.6867 3.9511 4.0248 4.0920 4.2376 4.3910 4.4513 4.6492 4.6580 6.1036 6.1292 7.0860 7.1372 8.5122 8.5171 10.0249 10.1173 10.4511 10.5117 10.5756 10.6341 10.9714 11.0094 12.5778 12.9862 k = 0.3321-0.2948 0.2713 ( 7552 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1433 -16.1429 -16.0369 -16.0358 -15.9711 -15.9709 -15.9574 -15.9567 -15.8608 -15.8608 -15.8532 -15.8532 -2.0948 -2.0893 -0.5910 -0.5891 1.9969 2.1020 2.3323 2.3811 2.4313 2.5495 2.5722 2.6019 2.8080 3.0711 3.2427 3.2597 3.6439 3.6768 3.9467 4.0163 4.0855 4.2309 4.3917 4.4510 4.6533 4.6641 6.0353 6.0566 7.0469 7.0967 8.6008 8.6092 10.0975 10.1934 10.4958 10.5169 10.5721 10.6832 11.0300 11.0665 12.7009 13.1307 k = 0.3435-0.3050 0.2807 ( 7564 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1433 -16.1429 -16.0370 -16.0359 -15.9711 -15.9709 -15.9574 -15.9567 -15.8609 -15.8608 -15.8532 -15.8532 -2.0658 -2.0603 -0.6151 -0.6128 2.0000 2.1080 2.3255 2.3669 2.4262 2.5281 2.5661 2.5946 2.8205 3.0721 3.2490 3.2599 3.6345 3.6659 3.9430 4.0082 4.0801 4.2232 4.3940 4.4518 4.6602 4.6732 5.9647 5.9820 7.0099 7.0580 8.6959 8.7073 10.1673 10.2618 10.5005 10.5601 10.5638 10.7353 11.0975 11.1294 12.8084 13.2469 k = 0.3550-0.3152 0.2900 ( 7564 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1433 -16.1429 -16.0371 -16.0360 -15.9711 -15.9709 -15.9574 -15.9567 -15.8609 -15.8608 -15.8532 -15.8532 -2.0378 -2.0324 -0.6377 -0.6352 2.0028 2.1132 2.3178 2.3494 2.4223 2.5117 2.5595 2.5870 2.8331 3.0718 3.2555 3.2618 3.6244 3.6542 3.9399 4.0005 4.0759 4.2150 4.3977 4.4531 4.6702 4.6853 5.8932 5.9067 6.9752 7.0214 8.7959 8.8097 10.2337 10.3167 10.5085 10.5460 10.6160 10.7870 11.1702 11.1955 12.8922 13.2665 k = 0.3664-0.3253 0.2994 ( 7564 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1433 -16.1430 -16.0371 -16.0361 -15.9711 -15.9710 -15.9573 -15.9567 -15.8609 -15.8608 -15.8532 -15.8531 -2.0110 -2.0056 -0.6588 -0.6560 2.0054 2.1174 2.3095 2.3298 2.4194 2.4997 2.5525 2.5794 2.8456 3.0702 3.2622 3.2652 3.6137 3.6417 3.9374 3.9932 4.0728 4.2063 4.4021 4.4547 4.6832 4.7002 5.8216 5.8316 6.9429 6.9868 8.8994 8.9149 10.2960 10.3509 10.5329 10.5333 10.6679 10.8372 11.2455 11.2623 12.9422 13.1906 k = 0.3779-0.3355 0.3087 ( 7554 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1433 -16.1430 -16.0371 -16.0362 -15.9711 -15.9709 -15.9573 -15.9567 -15.8609 -15.8608 -15.8531 -15.8531 -1.9854 -1.9802 -0.6783 -0.6754 2.0077 2.1202 2.3009 2.3095 2.4176 2.4912 2.5452 2.5716 2.8582 3.0674 3.2691 3.2700 3.6025 3.6286 3.9354 3.9864 4.0708 4.1973 4.4072 4.4562 4.6993 4.7178 5.7509 5.7576 6.9130 6.9544 9.0050 9.0216 10.3527 10.3651 10.5230 10.5747 10.7194 10.8856 11.3210 11.3276 12.9513 13.0851 k = 0.3893-0.3457 0.3181 ( 7546 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1433 -16.1430 -16.0372 -16.0363 -15.9711 -15.9709 -15.9573 -15.9567 -15.8609 -15.8608 -15.8531 -15.8530 -1.9614 -1.9563 -0.6961 -0.6932 2.0099 2.1214 2.2901 2.2924 2.4166 2.4852 2.5376 2.5639 2.8707 3.0635 3.2759 3.2762 3.5912 3.6150 3.9339 3.9801 4.0699 4.1882 4.4125 4.4575 4.7183 4.7379 5.6816 5.6852 6.8857 6.9243 9.1112 9.1282 10.3681 10.4013 10.5194 10.6237 10.7706 10.9315 11.3888 11.3943 12.9222 12.9721 k = 0.4008-0.3558 0.3274 ( 7544 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1433 -16.1430 -16.0372 -16.0364 -15.9711 -15.9710 -15.9572 -15.9567 -15.8610 -15.8609 -15.8530 -15.8530 -1.9391 -1.9342 -0.7123 -0.7093 2.0120 2.1205 2.2726 2.2841 2.4164 2.4809 2.5299 2.5563 2.8832 3.0586 3.2827 3.2834 3.5798 3.6011 3.9328 3.9742 4.0701 4.1791 4.4179 4.4585 4.7401 4.7604 5.6144 5.6151 6.8610 6.8966 9.2165 9.2332 10.3674 10.4367 10.5275 10.6723 10.8218 10.9747 11.4432 11.4627 12.8606 12.8676 k = 0.4122-0.3660 0.3368 ( 7552 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1433 -16.1430 -16.0373 -16.0365 -15.9711 -15.9710 -15.9572 -15.9567 -15.8610 -15.8609 -15.8530 -15.8530 -1.9186 -1.9141 -0.7268 -0.7239 2.0141 2.1172 2.2582 2.2764 2.4171 2.4778 2.5223 2.5488 2.8956 3.0528 3.2900 3.2906 3.5686 3.5873 3.9322 3.9688 4.0712 4.1700 4.4233 4.4592 4.7644 4.7850 5.5477 5.5495 6.8391 6.8713 9.3192 9.3348 10.3668 10.4557 10.5506 10.7162 10.8731 11.0146 11.4880 11.5228 12.7570 12.8020 k = 0.4237-0.3762 0.3461 ( 7550 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1433 -16.1431 -16.0373 -16.0366 -15.9711 -15.9710 -15.9572 -15.9567 -15.8610 -15.8609 -15.8530 -15.8530 -1.9002 -1.8961 -0.7395 -0.7368 2.0164 2.1113 2.2473 2.2692 2.4185 2.4754 2.5150 2.5416 2.9080 3.0462 3.2975 3.2978 3.5578 3.5738 3.9320 3.9639 4.0734 4.1610 4.4285 4.4596 4.7909 4.8115 5.4833 5.4875 6.8201 6.8486 9.4172 9.4310 10.3687 10.4659 10.5813 10.7532 10.9240 11.0508 11.5205 11.5706 12.6671 12.7371 k = 0.4351-0.3863 0.3555 ( 7546 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1433 -16.1431 -16.0373 -16.0367 -15.9711 -15.9710 -15.9571 -15.9567 -15.8610 -15.8609 -15.8530 -15.8529 -1.8839 -1.8803 -0.7504 -0.7479 2.0191 2.1032 2.2399 2.2627 2.4206 2.4730 2.5086 2.5346 2.9203 3.0389 3.3048 3.3049 3.5476 3.5609 3.9322 3.9593 4.0763 4.1521 4.4334 4.4597 4.8193 4.8394 5.4225 5.4287 6.8039 6.8286 9.5082 9.5195 10.3744 10.4748 10.6121 10.7822 10.9735 11.0828 11.5389 11.6019 12.5958 12.6804 k = 0.4466-0.3965 0.3649 ( 7546 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1433 -16.1431 -16.0372 -16.0368 -15.9711 -15.9710 -15.9571 -15.9568 -15.8610 -15.8609 -15.8529 -15.8529 -1.8700 -1.8669 -0.7595 -0.7574 2.0222 2.0936 2.2355 2.2568 2.4235 2.4702 2.5035 2.5281 2.9325 3.0309 3.3114 3.3119 3.5384 3.5490 3.9328 3.9551 4.0802 4.1435 4.4380 4.4595 4.8491 4.8683 5.3660 5.3738 6.7906 6.8113 9.5895 9.5980 10.3851 10.4850 10.6403 10.8022 11.0202 11.1101 11.5436 11.6140 12.5469 12.6356 k = 0.4580-0.4067 0.3742 ( 7558 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1433 -16.1432 -16.0373 -16.0369 -15.9711 -15.9711 -15.9571 -15.9568 -15.8610 -15.8609 -15.8530 -15.8530 -1.8585 -1.8560 -0.7668 -0.7651 2.0261 2.0832 2.2335 2.2516 2.4272 2.4664 2.5004 2.5219 2.9445 3.0223 3.3174 3.3181 3.5304 3.5384 3.9337 3.9512 4.0847 4.1350 4.4421 4.4589 4.8794 4.8971 5.3146 5.3233 6.7803 6.7967 9.6585 9.6641 10.4011 10.4956 10.6661 10.8127 11.0627 11.1320 11.5377 11.6076 12.5204 12.6027 k = 0.4695-0.4168 0.3836 ( 7574 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1433 -16.1432 -16.0373 -16.0370 -15.9711 -15.9711 -15.9571 -15.9569 -15.8610 -15.8610 -15.8530 -15.8530 -1.8496 -1.8478 -0.7723 -0.7710 2.0308 2.0728 2.2332 2.2470 2.4315 2.4615 2.4993 2.5163 2.9562 3.0131 3.3225 3.3233 3.5240 3.5297 3.9350 3.9478 4.0899 4.1268 4.4458 4.4579 4.9090 4.9242 5.2700 5.2788 6.7730 6.7851 9.7127 9.7157 10.4222 10.5033 10.6916 10.8128 11.0993 11.1482 11.5271 11.5875 12.5126 12.5793 k = 0.4809-0.4270 0.3929 ( 7580 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1433 -16.1433 -16.0372 -16.0371 -15.9711 -15.9711 -15.9571 -15.9570 -15.8610 -15.8610 -15.8530 -15.8530 -1.8434 -1.8422 -0.7760 -0.7752 2.0364 2.0628 2.2341 2.2430 2.4364 2.4558 2.5001 2.5112 2.9677 3.0034 3.3264 3.3270 3.5196 3.5231 3.9367 3.9446 4.0958 4.1190 4.4491 4.4566 4.9353 4.9466 5.2354 5.2426 6.7687 6.7763 9.7504 9.7517 10.4464 10.5041 10.7186 10.8024 11.1284 11.1578 11.5189 11.5614 12.5174 12.5618 k = 0.4809-0.4270 0.3929 ( 7580 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1433 -16.1433 -16.0372 -16.0371 -15.9711 -15.9711 -15.9571 -15.9570 -15.8610 -15.8610 -15.8530 -15.8530 -1.8434 -1.8422 -0.7760 -0.7752 2.0364 2.0628 2.2341 2.2430 2.4364 2.4558 2.5001 2.5112 2.9677 3.0034 3.3264 3.3270 3.5196 3.5231 3.9367 3.9446 4.0958 4.1190 4.4491 4.4566 4.9353 4.9466 5.2354 5.2426 6.7687 6.7763 9.7504 9.7517 10.4464 10.5041 10.7186 10.8024 11.1284 11.1578 11.5189 11.5614 12.5174 12.5618 k = 0.4816-0.4102 0.3864 ( 7570 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1433 -16.1432 -16.0372 -16.0370 -15.9711 -15.9711 -15.9571 -15.9569 -15.8610 -15.8610 -15.8530 -15.8530 -1.8482 -1.8465 -0.7731 -0.7719 2.0324 2.0691 2.2326 2.2443 2.4342 2.4607 2.5005 2.5156 2.9593 3.0097 3.3240 3.3247 3.5224 3.5273 3.9350 3.9460 4.0917 4.1241 4.4469 4.4578 4.9198 4.9342 5.2587 5.2673 6.7728 6.7836 9.7243 9.7270 10.4125 10.4779 10.7154 10.8150 11.1170 11.1570 11.5232 11.5793 12.5117 12.5719 k = 0.4822-0.3935 0.3799 ( 7568 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1433 -16.1432 -16.0373 -16.0369 -15.9711 -15.9711 -15.9571 -15.9569 -15.8610 -15.8610 -15.8530 -15.8530 -1.8557 -1.8536 -0.7684 -0.7669 2.0284 2.0752 2.2296 2.2436 2.4350 2.4660 2.5052 2.5217 2.9500 3.0151 3.3213 3.3218 3.5262 3.5325 3.9325 3.9461 4.0880 4.1284 4.4449 4.4589 4.9065 4.9234 5.2887 5.2979 6.7813 6.7951 9.6848 9.6903 10.3572 10.4138 10.7297 10.8234 11.1154 11.1603 11.5295 11.5957 12.5073 12.5797 k = 0.4829-0.3767 0.3734 ( 7561 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1433 -16.1432 -16.0372 -16.0368 -15.9711 -15.9711 -15.9571 -15.9569 -15.8610 -15.8609 -15.8530 -15.8530 -1.8658 -1.8633 -0.7619 -0.7602 2.0245 2.0808 2.2252 2.2413 2.4383 2.4704 2.5152 2.5294 2.9398 3.0194 3.3185 3.3186 3.5308 3.5385 3.9296 3.9450 4.0850 4.1317 4.4429 4.4600 4.8957 4.9145 5.3248 5.3341 6.7942 6.8108 9.6286 9.6388 10.2964 10.3402 10.7404 10.8196 11.1191 11.1635 11.5380 11.6092 12.5045 12.5843 k = 0.4836-0.3599 0.3669 ( 7550 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1433 -16.1431 -16.0372 -16.0368 -15.9711 -15.9710 -15.9571 -15.9568 -15.8610 -15.8609 -15.8530 -15.8529 -1.8781 -1.8753 -0.7540 -0.7520 2.0208 2.0860 2.2198 2.2376 2.4437 2.4736 2.5303 2.5385 2.9289 3.0229 3.3148 3.3159 3.5364 3.5454 3.9264 3.9429 4.0827 4.1340 4.4409 4.4610 4.8873 4.9078 5.3665 5.3755 6.8113 6.8307 9.5535 9.5700 10.2405 10.2708 10.7406 10.8025 11.1217 11.1637 11.5487 11.6185 12.5030 12.5847 k = 0.4842-0.3431 0.3604 ( 7543 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1433 -16.1431 -16.0372 -16.0367 -15.9711 -15.9710 -15.9571 -15.9568 -15.8610 -15.8609 -15.8529 -15.8529 -1.8925 -1.8894 -0.7448 -0.7426 2.0173 2.0907 2.2138 2.2331 2.4505 2.4762 2.5489 2.5495 2.9174 3.0258 3.3107 3.3134 3.5430 3.5530 3.9231 3.9401 4.0812 4.1351 4.4390 4.4620 4.8814 4.9031 5.4137 5.4219 6.8327 6.8547 9.4592 9.4828 10.1946 10.2114 10.7296 10.7735 11.1182 11.1584 11.5612 11.6227 12.5027 12.5805 k = 0.4849-0.3263 0.3539 ( 7543 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1433 -16.1431 -16.0372 -16.0366 -15.9711 -15.9710 -15.9571 -15.9568 -15.8610 -15.8609 -15.8530 -15.8529 -1.9086 -1.9052 -0.7345 -0.7322 2.0141 2.0948 2.2075 2.2282 2.4580 2.4785 2.5604 2.5716 2.9054 3.0281 3.3065 3.3113 3.5507 3.5612 3.9199 3.9372 4.0803 4.1352 4.4371 4.4629 4.8777 4.9005 5.4659 5.4730 6.8582 6.8825 9.3480 9.3786 10.1595 10.1632 10.7082 10.7344 11.1060 11.1461 11.5745 11.6215 12.5029 12.5717 k = 0.4855-0.3096 0.3474 ( 7547 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1433 -16.1431 -16.0372 -16.0365 -15.9711 -15.9710 -15.9572 -15.9568 -15.8610 -15.8609 -15.8530 -15.8530 -1.9261 -1.9225 -0.7236 -0.7212 2.0111 2.0983 2.2012 2.2230 2.4658 2.4809 2.5727 2.5957 2.8933 3.0301 3.3022 3.3097 3.5596 3.5701 3.9171 3.9345 4.0800 4.1344 4.4352 4.4638 4.8763 4.8997 5.5229 5.5287 6.8877 6.9142 9.2233 9.2601 10.1248 10.1338 10.6777 10.6868 11.0839 11.1257 11.5875 11.6151 12.5034 12.5588 k = 0.4862-0.2928 0.3409 ( 7537 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1433 -16.1430 -16.0371 -16.0364 -15.9711 -15.9710 -15.9572 -15.9567 -15.8609 -15.8608 -15.8530 -15.8529 -1.9448 -1.9411 -0.7121 -0.7096 2.0085 2.1009 2.1951 2.2180 2.4737 2.4834 2.5853 2.6209 2.8813 3.0320 3.2980 3.3087 3.5698 3.5796 3.9148 3.9326 4.0802 4.1328 4.4333 4.4646 4.8769 4.9006 5.5843 5.5886 6.9211 6.9495 9.0887 9.1307 10.0937 10.1154 10.6318 10.6396 11.0519 11.0964 11.5993 11.6048 12.5038 12.5429 k = 0.4868-0.2760 0.3344 ( 7544 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1433 -16.1430 -16.0371 -16.0364 -15.9711 -15.9710 -15.9572 -15.9567 -15.8609 -15.8609 -15.8530 -15.8530 -1.9643 -1.9605 -0.7004 -0.6979 2.0062 2.1026 2.1897 2.2131 2.4815 2.4861 2.5978 2.6464 2.8696 3.0340 3.2940 3.3084 3.5814 3.5895 3.9132 3.9319 4.0809 4.1306 4.4313 4.4655 4.8796 4.9031 5.6498 5.6523 6.9582 6.9883 8.9472 8.9936 10.0672 10.1021 10.5705 10.5952 11.0103 11.0580 11.5918 11.6091 12.5039 12.5252 k = 0.4875-0.2592 0.3279 ( 7548 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1433 -16.1430 -16.0370 -16.0363 -15.9711 -15.9710 -15.9573 -15.9567 -15.8609 -15.8608 -15.8530 -15.8530 -1.9844 -1.9805 -0.6885 -0.6860 2.0043 2.1034 2.1850 2.2086 2.4889 2.4891 2.6095 2.6714 2.8587 3.0361 3.2905 3.3088 3.5945 3.5998 3.9125 3.9327 4.0819 4.1281 4.4294 4.4664 4.8844 4.9072 5.7189 5.7194 6.9989 7.0305 8.8013 8.8511 10.0430 10.0923 10.5038 10.5458 10.9596 11.0104 11.5778 11.6167 12.5036 12.5069 k = 0.4882-0.2424 0.3214 ( 7543 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1432 -16.1430 -16.0370 -16.0362 -15.9711 -15.9709 -15.9573 -15.9567 -15.8609 -15.8608 -15.8530 -15.8530 -2.0047 -2.0009 -0.6768 -0.6744 2.0027 2.1030 2.1811 2.2044 2.4919 2.4965 2.6200 2.6948 2.8492 3.0384 3.2875 3.3099 3.6091 3.6104 3.9131 3.9352 4.0834 4.1254 4.4275 4.4675 4.8914 4.9130 5.7894 5.7911 7.0429 7.0757 8.6527 8.7054 10.0191 10.0845 10.4329 10.4929 10.9005 10.9541 11.5639 11.6221 12.4887 12.5027 k = 0.4888-0.2257 0.3149 ( 7549 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1432 -16.1430 -16.0369 -16.0361 -15.9710 -15.9709 -15.9573 -15.9568 -15.8609 -15.8608 -15.8531 -15.8530 -2.0252 -2.0213 -0.6654 -0.6630 2.0014 2.1016 2.1783 2.2006 2.4950 2.5036 2.6291 2.7151 2.8421 3.0408 3.2852 3.3117 3.6210 3.6251 3.9151 3.9396 4.0855 4.1226 4.4257 4.4687 4.9008 4.9206 5.8618 5.8659 7.0900 7.1239 8.5030 8.5579 9.9934 10.0773 10.3591 10.4379 10.8337 10.8903 11.5511 11.6255 12.4714 12.5011 k = 0.4895-0.2089 0.3083 ( 7549 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1432 -16.1429 -16.0369 -16.0361 -15.9710 -15.9709 -15.9573 -15.9568 -15.8609 -15.8608 -15.8531 -15.8530 -2.0454 -2.0417 -0.6543 -0.6520 2.0005 2.0992 2.1763 2.1972 2.4983 2.5106 2.6365 2.7307 2.8387 3.0431 3.2838 3.3140 3.6316 3.6422 3.9190 3.9459 4.0883 4.1200 4.4240 4.4700 4.9130 4.9301 5.9358 5.9426 7.1400 7.1747 8.3534 8.4101 9.9642 10.0685 10.2842 10.3820 10.7605 10.8205 11.5397 11.6271 12.4552 12.4986 k = 0.4901-0.1921 0.3018 ( 7550 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1432 -16.1429 -16.0368 -16.0360 -15.9710 -15.9709 -15.9573 -15.9568 -15.8609 -15.8608 -15.8531 -15.8531 -2.0653 -2.0617 -0.6438 -0.6416 2.0000 2.0960 2.1752 2.1943 2.5016 2.5172 2.6421 2.7400 2.8405 3.0450 3.2833 3.3167 3.6419 3.6599 3.9251 3.9539 4.0920 4.1178 4.4226 4.4714 4.9283 4.9419 6.0107 6.0206 7.1926 7.2280 8.2052 8.2630 9.9298 10.0540 10.2124 10.3261 10.6823 10.7472 11.5300 11.6273 12.4402 12.4950 k = 0.4908-0.1753 0.2953 ( 7546 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1432 -16.1429 -16.0367 -16.0359 -15.9710 -15.9709 -15.9573 -15.9568 -15.8609 -15.8608 -15.8531 -15.8531 -2.0847 -2.0812 -0.6338 -0.6318 1.9998 2.0920 2.1747 2.1917 2.5050 2.5237 2.6460 2.7426 2.8475 3.0464 3.2839 3.3197 3.6518 3.6774 3.9339 3.9631 4.0970 4.1163 4.4215 4.4729 4.9472 4.9564 6.0854 6.0987 7.2474 7.2835 8.0595 8.1179 9.8889 10.0245 10.1522 10.2704 10.6012 10.6731 11.5220 11.6263 12.4261 12.4901 k = 0.4914-0.1585 0.2888 ( 7545 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1432 -16.1429 -16.0366 -16.0358 -15.9710 -15.9709 -15.9573 -15.9568 -15.8609 -15.8608 -15.8531 -15.8531 -2.1034 -2.1000 -0.6245 -0.6226 1.9999 2.0875 2.1748 2.1895 2.5085 2.5298 2.6483 2.7402 2.8581 3.0469 3.2855 3.3226 3.6612 3.6938 3.9455 3.9730 4.1035 4.1156 4.4207 4.4745 4.9702 4.9739 6.1586 6.1760 7.3039 7.3407 7.9177 7.9762 9.8411 9.9704 10.1122 10.2139 10.5199 10.6016 11.5156 11.6242 12.4127 12.4837 k = 0.4921-0.1418 0.2823 ( 7540 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1431 -16.1429 -16.0365 -16.0358 -15.9710 -15.9708 -15.9573 -15.9568 -15.8609 -15.8608 -15.8531 -15.8531 -2.1212 -2.1180 -0.6159 -0.6141 2.0003 2.0827 2.1752 2.1876 2.5120 2.5356 2.6494 2.7350 2.8702 3.0465 3.2880 3.3255 3.6700 3.7084 3.9597 3.9829 4.1118 4.1164 4.4204 4.4760 4.9950 4.9979 6.2285 6.2508 7.3614 7.3994 7.7817 7.8398 9.7867 9.8979 10.0836 10.1546 10.4426 10.5362 11.5106 11.6213 12.3998 12.4755 k = 0.4928-0.1250 0.2758 ( 7536 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1431 -16.1428 -16.0364 -16.0357 -15.9709 -15.9708 -15.9573 -15.9568 -15.8608 -15.8608 -15.8531 -15.8531 -2.1380 -2.1350 -0.6080 -0.6063 2.0011 2.0776 2.1758 2.1860 2.5155 2.5410 2.6494 2.7283 2.8826 3.0450 3.2912 3.3282 3.6782 3.7205 3.9755 3.9920 4.1192 4.1220 4.4206 4.4773 5.0204 5.0308 6.2928 6.3211 7.4180 7.4585 7.6541 7.7122 9.7267 9.8180 10.0521 10.0903 10.3748 10.4800 11.5070 11.6175 12.3873 12.4657 k = 0.4934-0.1082 0.2693 ( 7533 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1431 -16.1428 -16.0363 -16.0357 -15.9709 -15.9708 -15.9573 -15.9568 -15.8608 -15.8607 -15.8531 -15.8531 -2.1537 -2.1509 -0.6009 -0.5993 2.0021 2.0724 2.1765 2.1848 2.5190 2.5459 2.6488 2.7210 2.8945 3.0425 3.2950 3.3305 3.6858 3.7301 3.9915 4.0000 4.1248 4.1340 4.4213 4.4784 5.0507 5.0694 6.3480 6.3838 7.4644 7.5081 7.5476 7.6047 9.6627 9.7357 10.0083 10.0199 10.3226 10.4344 11.5047 11.6130 12.3752 12.4542 k = 0.4941-0.0914 0.2628 ( 7532 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1430 -16.1428 -16.0363 -16.0356 -15.9709 -15.9708 -15.9573 -15.9569 -15.8608 -15.8607 -15.8531 -15.8531 -2.1681 -2.1656 -0.5944 -0.5930 2.0034 2.0673 2.1773 2.1838 2.5226 2.5503 2.6477 2.7135 2.9057 3.0390 3.2990 3.3324 3.6929 3.7371 4.0057 4.0067 4.1338 4.1472 4.4227 4.4791 5.0865 5.1139 6.3896 6.4348 7.4301 7.4429 7.5784 7.5838 9.5963 9.6536 9.9443 9.9496 10.2882 10.3991 11.5035 11.6079 12.3636 12.4413 k = 0.4947-0.0746 0.2563 ( 7533 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1430 -16.1428 -16.0362 -16.0356 -15.9709 -15.9708 -15.9573 -15.9569 -15.8608 -15.8607 -15.8531 -15.8531 -2.1813 -2.1791 -0.5887 -0.5874 2.0049 2.0621 2.1781 2.1830 2.5261 2.5540 2.6466 2.7061 2.9162 3.0346 3.3033 3.3339 3.6994 3.7420 4.0120 4.0169 4.1463 4.1610 4.4247 4.4793 5.1282 5.1645 6.4121 6.4683 7.3490 7.3664 7.6247 7.6427 9.5293 9.5733 9.8658 9.8795 10.2689 10.3722 11.5035 11.6020 12.3526 12.4272 k = 0.4954-0.0579 0.2498 ( 7533 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1430 -16.1428 -16.0361 -16.0356 -15.9709 -15.9708 -15.9573 -15.9569 -15.8608 -15.8607 -15.8531 -15.8531 -2.1931 -2.1911 -0.5837 -0.5826 2.0068 2.0570 2.1788 2.1824 2.5296 2.5569 2.6457 2.6988 2.9260 3.0296 3.3075 3.3350 3.7055 3.7450 4.0163 4.0246 4.1613 4.1747 4.4274 4.4789 5.1762 5.2208 6.4106 6.4782 7.2920 7.3029 7.6807 7.7007 9.4633 9.4962 9.7872 9.8042 10.2595 10.3517 11.5047 11.5956 12.3426 12.4123 k = 0.4961-0.0411 0.2433 ( 7527 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1430 -16.1428 -16.0360 -16.0355 -15.9708 -15.9708 -15.9572 -15.9569 -15.8608 -15.8607 -15.8531 -15.8531 -2.2034 -2.2017 -0.5794 -0.5784 2.0088 2.0521 2.1794 2.1820 2.5332 2.5589 2.6453 2.6919 2.9352 3.0240 3.3116 3.3356 3.7111 3.7466 4.0197 4.0293 4.1770 4.1876 4.4308 4.4779 5.2303 5.2823 6.3834 6.4603 7.2610 7.2645 7.7366 7.7562 9.3999 9.4237 9.7115 9.7289 10.2563 10.3358 11.5069 11.5885 12.3340 12.3971 k = 0.4967-0.0243 0.2368 ( 7519 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1429 -16.1428 -16.0359 -16.0355 -15.9708 -15.9708 -15.9572 -15.9569 -15.8608 -15.8607 -15.8531 -15.8531 -2.2122 -2.2108 -0.5758 -0.5750 2.0112 2.0473 2.1799 2.1817 2.5367 2.5599 2.6456 2.6854 2.9439 3.0178 3.3156 3.3357 3.7164 3.7470 4.0225 4.0319 4.1920 4.1993 4.4348 4.4763 5.2899 5.3475 6.3343 6.4161 7.2507 7.2524 7.7897 7.8077 9.3410 9.3574 9.6415 9.6578 10.2569 10.3232 11.5102 11.5809 12.3270 12.3822 k = 0.4974-0.0075 0.2303 ( 7519 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1429 -16.1428 -16.0358 -16.0355 -15.9708 -15.9708 -15.9572 -15.9570 -15.8607 -15.8607 -15.8531 -15.8531 -2.2195 -2.2183 -0.5728 -0.5722 2.0137 2.0427 2.1804 2.1816 2.5402 2.5601 2.6466 2.6791 2.9522 3.0114 3.3192 3.3355 3.7213 3.7464 4.0247 4.0330 4.2049 4.2093 4.4393 4.4740 5.3538 5.4141 6.2713 6.3527 7.2546 7.2586 7.8379 7.8534 9.2884 9.2990 9.5799 9.5941 10.2598 10.3127 11.5145 11.5730 12.3221 12.3679 k = 0.4980 0.0093 0.2238 ( 7529 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1429 -16.1428 -16.0358 -16.0356 -15.9708 -15.9708 -15.9572 -15.9570 -15.8608 -15.8607 -15.8531 -15.8531 -2.2251 -2.2242 -0.5705 -0.5700 2.0166 2.0383 2.1807 2.1814 2.5437 2.5594 2.6484 2.6733 2.9602 3.0046 3.3225 3.3348 3.7259 3.7451 4.0267 4.0333 4.2152 4.2175 4.4441 4.4710 5.4194 5.4780 6.2047 6.2798 7.2676 7.2719 7.8792 7.8916 9.2443 9.2505 9.5293 9.5406 10.2641 10.3038 11.5198 11.5648 12.3195 12.3548 k = 0.4987 0.0260 0.2173 ( 7517 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1429 -16.1428 -16.0357 -16.0356 -15.9708 -15.9707 -15.9571 -15.9570 -15.8607 -15.8607 -15.8531 -15.8531 -2.2291 -2.2285 -0.5689 -0.5686 2.0196 2.0341 2.1810 2.1814 2.5470 2.5579 2.6511 2.6679 2.9680 2.9976 3.3255 3.3337 3.7301 3.7431 4.0284 4.0329 4.2225 4.2235 4.4491 4.4675 5.4824 5.5322 6.1464 6.2073 7.2823 7.2856 7.9115 7.9201 9.2107 9.2140 9.4918 9.4997 10.2694 10.2958 11.5259 11.5565 12.3193 12.3433 k = 0.4993 0.0428 0.2108 ( 7515 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1428 -16.1428 -16.0357 -16.0356 -15.9708 -15.9707 -15.9571 -15.9571 -15.8607 -15.8607 -15.8531 -15.8531 -2.2315 -2.2312 -0.5679 -0.5677 2.0229 2.0302 2.1811 2.1813 2.5502 2.5557 2.6544 2.6629 2.9757 2.9904 3.3281 3.3322 3.7340 3.7405 4.0298 4.0321 4.2269 4.2272 4.4541 4.4635 5.5353 5.5654 6.1108 6.1464 7.2935 7.2953 7.9327 7.9372 9.1897 9.1910 9.4694 9.4735 10.2753 10.2885 11.5328 11.5483 12.3216 12.3338 k = 0.5000 0.0596 0.2043 ( 7510 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1428 -16.1428 -16.0356 -16.0356 -15.9707 -15.9707 -15.9571 -15.9571 -15.8607 -15.8607 -15.8531 -15.8531 -2.2322 -2.2322 -0.5675 -0.5675 2.0264 2.0264 2.1812 2.1812 2.5532 2.5532 2.6584 2.6584 2.9831 2.9831 3.3303 3.3303 3.7375 3.7375 4.0311 4.0311 4.2284 4.2284 4.4590 4.4590 5.5666 5.5666 6.1104 6.1104 7.2982 7.2982 7.9415 7.9415 9.1829 9.1829 9.4632 9.4632 10.2817 10.2817 11.5403 11.5403 12.3265 12.3265 k = 0.5000 0.0596 0.2043 ( 7510 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1428 -16.1428 -16.0356 -16.0356 -15.9707 -15.9707 -15.9571 -15.9571 -15.8607 -15.8607 -15.8531 -15.8531 -2.2322 -2.2322 -0.5675 -0.5675 2.0264 2.0264 2.1812 2.1812 2.5532 2.5532 2.6584 2.6584 2.9831 2.9831 3.3303 3.3303 3.7375 3.7375 4.0311 4.0311 4.2284 4.2284 4.4590 4.4590 5.5666 5.5666 6.1104 6.1104 7.2982 7.2982 7.9415 7.9415 9.1829 9.1829 9.4632 9.4632 10.2817 10.2817 11.5403 11.5403 12.3265 12.3265 k = 0.4931 0.0658 0.2195 ( 7512 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1428 -16.1428 -16.0356 -16.0356 -15.9708 -15.9707 -15.9571 -15.9571 -15.8607 -15.8607 -15.8531 -15.8531 -2.2317 -2.2310 -0.5672 -0.5659 2.0245 2.0290 2.1805 2.1821 2.5520 2.5543 2.6528 2.6635 2.9769 2.9903 3.3293 3.3319 3.7246 3.7496 4.0287 4.0334 4.2193 4.2373 4.4517 4.4661 5.5592 5.5754 6.0982 6.1187 7.2887 7.3054 7.8939 7.9720 9.1383 9.2100 9.4590 9.4661 10.2692 10.3170 11.5305 11.5710 12.3075 12.3481 k = 0.4861 0.0719 0.2347 ( 7516 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1429 -16.1428 -16.0357 -16.0356 -15.9709 -15.9706 -15.9571 -15.9571 -15.8607 -15.8607 -15.8531 -15.8531 -2.2297 -2.2282 -0.5652 -0.5624 2.0232 2.0323 2.1798 2.1831 2.5508 2.5555 2.6468 2.6680 2.9717 2.9984 3.3288 3.3341 3.7110 3.7609 4.0264 4.0357 4.2101 4.2462 4.4444 4.4731 5.5531 5.5855 6.0821 6.1227 7.2768 7.3103 7.8314 7.9845 9.0776 9.2195 9.4544 9.4676 10.2806 10.3731 11.5423 11.6187 12.2913 12.3733 k = 0.4792 0.0781 0.2499 ( 7518 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1429 -16.1428 -16.0357 -16.0356 -15.9709 -15.9706 -15.9572 -15.9571 -15.8607 -15.8607 -15.8532 -15.8531 -2.2260 -2.2239 -0.5613 -0.5572 2.0226 2.0362 2.1794 2.1841 2.5496 2.5567 2.6405 2.6720 2.9674 3.0073 3.3290 3.3367 3.6970 3.7712 4.0241 4.0378 4.2009 4.2548 4.4371 4.4800 5.5479 5.5969 6.0623 6.1223 7.2623 7.3127 7.7572 7.9795 9.0034 9.2109 9.4500 9.4684 10.3152 10.4471 11.5737 11.6776 12.2794 12.4044 k = 0.4722 0.0843 0.2651 ( 7516 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1429 -16.1428 -16.0358 -16.0355 -15.9710 -15.9705 -15.9572 -15.9571 -15.8608 -15.8607 -15.8532 -15.8531 -2.2207 -2.2179 -0.5557 -0.5502 2.0227 2.0408 2.1791 2.1852 2.5484 2.5578 2.6340 2.6755 2.9640 3.0171 3.3297 3.3398 3.6827 3.7804 4.0220 4.0397 4.1917 4.2632 4.4297 4.4867 5.5432 5.6096 6.0388 6.1170 7.2449 7.3126 7.6747 7.9592 8.9191 9.1844 9.4470 9.4698 10.3707 10.5355 11.6193 11.7403 12.2749 12.4446 k = 0.4653 0.0904 0.2803 ( 7520 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1429 -16.1428 -16.0359 -16.0356 -15.9711 -15.9705 -15.9573 -15.9571 -15.8608 -15.8607 -15.8532 -15.8531 -2.2139 -2.2105 -0.5483 -0.5414 2.0235 2.0459 2.1791 2.1864 2.5473 2.5589 2.6273 2.6783 2.9615 3.0276 3.3310 3.3434 3.6682 3.7885 4.0200 4.0414 4.1825 4.2713 4.4223 4.4934 5.5387 5.6232 6.0118 6.1064 7.2243 7.3095 7.5871 7.9269 8.8286 9.1416 9.4462 9.4724 10.4433 10.6350 11.6709 11.7983 12.2832 12.4976 k = 0.4583 0.0966 0.2955 ( 7520 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1430 -16.1428 -16.0359 -16.0356 -15.9711 -15.9704 -15.9573 -15.9571 -15.8609 -15.8607 -15.8532 -15.8531 -2.2055 -2.2015 -0.5392 -0.5310 2.0249 2.0517 2.1795 2.1877 2.5462 2.5599 2.6206 2.6806 2.9597 3.0387 3.3328 3.3475 3.6536 3.7953 4.0183 4.0428 4.1734 4.2792 4.4150 4.4999 5.5333 5.6374 5.9817 6.0900 7.2001 7.3032 7.4975 7.8863 8.7355 9.0859 9.4478 9.4763 10.5281 10.7418 11.7194 11.8440 12.3105 12.5663 k = 0.4514 0.1028 0.3107 ( 7520 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1430 -16.1428 -16.0360 -16.0356 -15.9712 -15.9704 -15.9574 -15.9571 -15.8609 -15.8608 -15.8532 -15.8531 -2.1957 -2.1910 -0.5285 -0.5189 2.0271 2.0579 2.1803 2.1890 2.5451 2.5609 2.6139 2.6824 2.9585 3.0503 3.3353 3.3519 3.6392 3.8009 4.0167 4.0440 4.1644 4.2867 4.4078 4.5063 5.5262 5.6518 5.9489 6.0674 7.1716 7.2923 7.4092 7.8408 8.6430 9.0213 9.4511 9.4814 10.6196 10.8522 11.7567 11.8732 12.3611 12.6504 k = 0.4444 0.1089 0.3259 ( 7518 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1430 -16.1428 -16.0361 -16.0356 -15.9713 -15.9703 -15.9574 -15.9571 -15.8609 -15.8608 -15.8532 -15.8531 -2.1845 -2.1792 -0.5162 -0.5052 2.0299 2.0647 2.1816 2.1906 2.5440 2.5619 2.6075 2.6837 2.9577 3.0623 3.3382 3.3568 3.6249 3.8054 4.0154 4.0448 4.1556 4.2938 4.4008 4.5126 5.5159 5.6658 5.9142 6.0383 7.1387 7.2708 7.3303 7.7939 8.5541 8.9517 9.4557 9.4874 10.7114 10.9622 11.7789 11.8877 12.4317 12.7450 k = 0.4375 0.1151 0.3411 ( 7528 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1431 -16.1429 -16.0362 -16.0356 -15.9713 -15.9703 -15.9575 -15.9572 -15.8610 -15.8609 -15.8533 -15.8532 -2.1718 -2.1660 -0.5024 -0.4900 2.0334 2.0720 2.1835 2.1923 2.5430 2.5628 2.6013 2.6846 2.9573 3.0746 3.3415 3.3620 3.6109 3.8087 4.0142 4.0454 4.1470 4.3005 4.3942 4.5188 5.5007 5.6784 5.8786 6.0030 7.1008 7.2140 7.2869 7.7480 8.4713 8.8800 9.4610 9.4943 10.7971 11.0672 11.7870 11.8925 12.5114 12.8380 k = 0.4306 0.1213 0.3563 ( 7522 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1431 -16.1429 -16.0362 -16.0356 -15.9714 -15.9703 -15.9576 -15.9572 -15.8610 -15.8609 -15.8533 -15.8532 -2.1579 -2.1515 -0.4872 -0.4734 2.0376 2.0797 2.1862 2.1942 2.5419 2.5636 2.5955 2.6852 2.9571 3.0871 3.3452 3.3676 3.5974 3.8111 4.0131 4.0456 4.1387 4.3066 4.3880 4.5249 5.4785 5.6880 5.8433 5.9627 7.0581 7.1366 7.2661 7.7053 8.3961 8.8086 9.4667 9.5018 10.8704 11.1618 11.7848 11.8921 12.5847 12.9060 k = 0.4236 0.1274 0.3715 ( 7520 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1432 -16.1429 -16.0363 -16.0357 -15.9714 -15.9702 -15.9576 -15.9573 -15.8611 -15.8609 -15.8533 -15.8532 -2.1427 -2.1358 -0.4706 -0.4555 2.0425 2.0878 2.1896 2.1965 2.5408 2.5641 2.5905 2.6854 2.9569 3.0996 3.3490 3.3736 3.5845 3.8125 4.0120 4.0455 4.1308 4.3119 4.3824 4.5310 5.4478 5.6919 5.8091 5.9197 7.0102 7.0593 7.2489 7.6672 8.3299 8.7391 9.4726 9.5097 10.9262 11.2394 11.7774 11.8880 12.6407 12.9520 k = 0.4167 0.1336 0.3867 ( 7532 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1432 -16.1430 -16.0364 -16.0357 -15.9715 -15.9702 -15.9577 -15.9574 -15.8612 -15.8610 -15.8534 -15.8532 -2.1264 -2.1191 -0.4529 -0.4364 2.0481 2.0962 2.1939 2.1992 2.5396 2.5644 2.5863 2.6855 2.9566 3.1120 3.3530 3.3798 3.5722 3.8132 4.0109 4.0451 4.1232 4.3162 4.3778 4.5369 5.4074 5.6849 5.7770 5.8784 6.9561 6.9878 7.2336 7.6344 8.2728 8.6724 9.4784 9.5176 10.9624 11.2932 11.7692 11.8783 12.6847 12.9960 k = 0.4097 0.1398 0.4019 ( 7534 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1433 -16.1430 -16.0365 -16.0358 -15.9715 -15.9702 -15.9578 -15.9574 -15.8612 -15.8610 -15.8534 -15.8532 -2.1091 -2.1013 -0.4340 -0.4162 2.0544 2.1048 2.1988 2.2027 2.5381 2.5643 2.5834 2.6854 2.9561 3.1241 3.3569 3.3863 3.5606 3.8132 4.0095 4.0444 4.1160 4.3191 4.3746 4.5428 5.3575 5.6582 5.7502 5.8435 6.8935 6.9268 7.2208 7.6071 8.2246 8.6093 9.4841 9.5254 10.9794 11.3190 11.7617 11.8597 12.7315 13.0337 k = 0.4028 0.1459 0.4171 ( 7534 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1433 -16.1430 -16.0366 -16.0358 -15.9715 -15.9702 -15.9579 -15.9575 -15.8613 -15.8611 -15.8534 -15.8533 -2.0908 -2.0827 -0.4142 -0.3951 2.0614 2.1135 2.2035 2.2081 2.5364 2.5638 2.5818 2.6851 2.9553 3.1358 3.3606 3.3928 3.5500 3.8129 4.0079 4.0434 4.1094 4.3202 4.3730 4.5485 5.2993 5.6093 5.7279 5.8159 6.8280 6.8740 7.2114 7.5853 8.1844 8.5498 9.4894 9.5328 10.9803 11.3184 11.7519 11.8300 12.7885 13.0596 k = 0.3958 0.1521 0.4323 ( 7526 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1434 -16.1430 -16.0367 -16.0359 -15.9715 -15.9701 -15.9580 -15.9575 -15.8613 -15.8611 -15.8534 -15.8533 -2.0716 -2.0632 -0.3935 -0.3732 2.0691 2.1224 2.2077 2.2159 2.5342 2.5631 2.5815 2.6848 2.9541 3.1469 3.3641 3.3992 3.5405 3.8121 4.0059 4.0422 4.1034 4.3193 4.3733 4.5541 5.2345 5.5456 5.7041 5.7918 6.7663 6.8265 7.2060 7.5688 8.1509 8.4938 9.4940 9.5395 10.9692 11.2977 11.7349 11.7899 12.8500 13.0677 k = 0.3889 0.1582 0.4475 ( 7532 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1434 -16.1431 -16.0368 -16.0359 -15.9716 -15.9701 -15.9581 -15.9576 -15.8614 -15.8612 -15.8535 -15.8533 -2.0518 -2.0432 -0.3722 -0.3506 2.0777 2.1312 2.2119 2.2256 2.5318 2.5624 2.5823 2.6845 2.9523 3.1571 3.3672 3.4051 3.5324 3.8112 4.0034 4.0409 4.0980 4.3165 4.3753 4.5595 5.1648 5.4737 5.6745 5.7658 6.7121 6.7849 7.2049 7.5569 8.1227 8.4408 9.4978 9.5452 10.9500 11.2641 11.7061 11.7433 12.8973 13.0537 k = 0.3819 0.1644 0.4627 ( 7544 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1435 -16.1432 -16.0369 -16.0360 -15.9716 -15.9702 -15.9582 -15.9577 -15.8615 -15.8613 -15.8535 -15.8533 -2.0314 -2.0226 -0.3503 -0.3276 2.0870 2.1400 2.2166 2.2369 2.5290 2.5622 2.5838 2.6842 2.9500 3.1662 3.3698 3.4098 3.5261 3.8102 4.0006 4.0395 4.0933 4.3123 4.3785 4.5647 5.0921 5.3978 5.6372 5.7338 6.6677 6.7509 7.2081 7.5494 8.0983 8.3904 9.5005 9.5498 10.9264 11.2234 11.6624 11.6966 12.9099 13.0186 k = 0.3750 0.1706 0.4779 ( 7550 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1436 -16.1432 -16.0370 -16.0361 -15.9716 -15.9702 -15.9583 -15.9578 -15.8616 -15.8613 -15.8536 -15.8534 -2.0106 -2.0016 -0.3280 -0.3043 2.0972 2.1487 2.2218 2.2499 2.5262 2.5623 2.5860 2.6840 2.9471 3.1738 3.3721 3.4127 3.5221 3.8093 3.9972 4.0381 4.0892 4.3070 4.3823 4.5697 5.0179 5.3203 5.5911 5.6936 6.6348 6.7257 7.2154 7.5457 8.0764 8.3420 9.5019 9.5528 10.9012 11.1799 11.6072 11.6510 12.8834 12.9670 k = 0.3681 0.1767 0.4931 ( 7552 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1436 -16.1433 -16.0371 -16.0362 -15.9716 -15.9702 -15.9583 -15.9579 -15.8616 -15.8614 -15.8536 -15.8534 -1.9894 -1.9804 -0.3056 -0.2808 2.1083 2.1575 2.2274 2.2645 2.5233 2.5629 2.5888 2.6839 2.9433 3.1797 3.3741 3.4132 3.5209 3.8085 3.9935 4.0367 4.0858 4.3008 4.3866 4.5743 4.9436 5.2428 5.5361 5.6445 6.6138 6.7100 7.2264 7.5453 8.0557 8.2949 9.5017 9.5542 10.8766 11.1365 11.5478 11.6039 12.8283 12.9032 k = 0.3611 0.1829 0.5083 ( 7546 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1436 -16.1433 -16.0372 -16.0362 -15.9716 -15.9702 -15.9584 -15.9580 -15.8617 -15.8614 -15.8536 -15.8534 -1.9682 -1.9591 -0.2831 -0.2574 2.1202 2.1662 2.2336 2.2806 2.5206 2.5639 2.5922 2.6842 2.9387 3.1832 3.3758 3.4110 3.5227 3.8080 3.9896 4.0355 4.0829 4.2939 4.3909 4.5784 4.8704 5.1666 5.4731 5.5874 6.6042 6.7038 7.2408 7.5479 8.0352 8.2486 9.4998 9.5537 10.8543 11.0952 11.4882 11.5556 12.7563 12.8299 k = 0.3542 0.1891 0.5235 ( 7550 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1437 -16.1433 -16.0372 -16.0363 -15.9717 -15.9702 -15.9585 -15.9580 -15.8618 -15.8615 -15.8536 -15.8534 -1.9469 -1.9379 -0.2607 -0.2343 2.1329 2.1751 2.2403 2.2981 2.5180 2.5651 2.5963 2.6850 2.9331 3.1840 3.3772 3.4062 3.5274 3.8078 3.9855 4.0344 4.0806 4.2862 4.3952 4.5819 4.7996 5.0928 5.4032 5.5237 6.6047 6.7064 7.2581 7.5529 8.0138 8.2027 9.4961 9.5512 10.8357 11.0577 11.4307 11.5071 12.6750 12.7493 k = 0.3472 0.1952 0.5387 ( 7540 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1437 -16.1434 -16.0373 -16.0363 -15.9716 -15.9702 -15.9585 -15.9581 -15.8618 -15.8615 -15.8536 -15.8534 -1.9259 -1.9170 -0.2387 -0.2116 2.1462 2.1842 2.2476 2.3168 2.5157 2.5665 2.6011 2.6864 2.9265 3.1814 3.3774 3.4005 3.5344 3.8082 3.9815 4.0336 4.0788 4.2777 4.3992 4.5842 4.7325 5.0220 5.3286 5.4552 6.6139 6.7169 7.2780 7.5598 7.9907 8.1568 9.4903 9.5466 10.8216 11.0250 11.3766 11.4599 12.5885 12.6635 k = 0.3403 0.2014 0.5539 ( 7532 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1437 -16.1434 -16.0374 -16.0364 -15.9716 -15.9702 -15.9586 -15.9582 -15.8619 -15.8616 -15.8536 -15.8534 -1.9052 -1.8965 -0.2171 -0.1896 2.1600 2.1938 2.2555 2.3365 2.5138 2.5678 2.6070 2.6886 2.9186 3.1749 3.3737 3.3971 3.5431 3.8092 3.9775 4.0328 4.0774 4.2682 4.4027 4.5839 4.6710 4.9552 5.2512 5.3837 6.6303 6.7341 7.3000 7.5683 7.9654 8.1108 9.4825 9.5400 10.8125 10.9977 11.3269 11.4150 12.4996 12.5744 k = 0.3333 0.2076 0.5691 ( 7532 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1437 -16.1434 -16.0374 -16.0364 -15.9716 -15.9702 -15.9586 -15.9582 -15.8619 -15.8617 -15.8536 -15.8534 -1.8851 -1.8766 -0.1963 -0.1684 2.1734 2.2044 2.2639 2.3568 2.5122 2.5690 2.6139 2.6918 2.9095 3.1641 3.3645 3.3986 3.5530 3.8110 3.9738 4.0322 4.0767 4.2575 4.4055 4.5736 4.6229 4.8930 5.1732 5.3107 6.6525 6.7569 7.3237 7.5779 7.9372 8.0647 9.4729 9.5314 10.8087 10.9765 11.2822 11.3733 12.4098 12.4836 k = 0.3264 0.2137 0.5843 ( 7534 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1438 -16.1435 -16.0375 -16.0365 -15.9716 -15.9702 -15.9587 -15.9583 -15.8620 -15.8617 -15.8537 -15.8534 -1.8658 -1.8575 -0.1764 -0.1481 2.1858 2.2167 2.2730 2.3775 2.5109 2.5700 2.6222 2.6964 2.8989 3.1488 3.3515 3.4034 3.5637 3.8138 3.9704 4.0315 4.0766 4.2453 4.4072 4.5376 4.6040 4.8363 5.0967 5.2377 6.6795 6.7842 7.3486 7.5880 7.9059 8.0187 9.4616 9.5210 10.8104 10.9615 11.2430 11.3356 12.3204 12.3926 k = 0.3194 0.2199 0.5995 ( 7534 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1438 -16.1435 -16.0376 -16.0365 -15.9716 -15.9702 -15.9587 -15.9584 -15.8620 -15.8618 -15.8537 -15.8534 -1.8473 -1.8394 -0.1574 -0.1291 2.1962 2.2312 2.2826 2.3980 2.5100 2.5706 2.6320 2.7025 2.8870 3.1291 3.3365 3.4102 3.5750 3.8177 3.9672 4.0305 4.0774 4.2316 4.4069 4.4923 4.5978 4.7863 5.0236 5.1661 6.7102 6.8150 7.3744 7.5980 7.8714 7.9732 9.4489 9.5091 10.8172 10.9529 11.2092 11.3023 12.2323 12.3025 k = 0.3125 0.2261 0.6147 ( 7538 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1438 -16.1436 -16.0377 -16.0366 -15.9716 -15.9703 -15.9588 -15.9584 -15.8621 -15.8618 -15.8537 -15.8534 -1.8299 -1.8224 -0.1397 -0.1114 2.2047 2.2478 2.2929 2.4178 2.5096 2.5711 2.6433 2.7104 2.8738 3.1051 3.3200 3.4183 3.5868 3.8229 3.9644 4.0288 4.0794 4.2163 4.4021 4.4514 4.5916 4.7442 4.9557 5.0969 6.7440 6.8485 7.4006 7.6074 7.8340 7.9285 9.4353 9.4958 10.8288 10.9504 11.1808 11.2735 12.1462 12.2144 k = 0.3056 0.2322 0.6299 ( 7536 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1439 -16.1436 -16.0377 -16.0366 -15.9716 -15.9703 -15.9588 -15.9585 -15.8621 -15.8619 -15.8537 -15.8534 -1.8138 -1.8067 -0.1234 -0.0952 2.2116 2.2656 2.3035 2.4362 2.5097 2.5716 2.6562 2.7200 2.8596 3.0776 3.3022 3.4273 3.5990 3.8295 3.9619 4.0263 4.0826 4.1992 4.3844 4.4241 4.5826 4.7119 4.8945 5.0313 6.7799 6.8838 7.4266 7.6151 7.7948 7.8850 9.4212 9.4817 10.8445 10.9541 11.1575 11.2494 12.0628 12.1295 k = 0.2986 0.2384 0.6451 ( 7530 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1439 -16.1436 -16.0377 -16.0367 -15.9715 -15.9703 -15.9588 -15.9585 -15.8622 -15.8619 -15.8537 -15.8534 -1.7991 -1.7924 -0.1086 -0.0806 2.2172 2.2839 2.3145 2.4525 2.5106 2.5725 2.6703 2.7312 2.8450 3.0471 3.2835 3.4368 3.6116 3.8377 3.9597 4.0227 4.0873 4.1806 4.3529 4.4104 4.5713 4.6897 4.8410 4.9702 6.8172 6.9201 7.4519 7.6196 7.7558 7.8429 9.4071 9.4672 10.8637 10.9635 11.1388 11.2297 11.9828 12.0488 k = 0.2917 0.2446 0.6603 ( 7528 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1439 -16.1437 -16.0378 -16.0367 -15.9715 -15.9703 -15.9589 -15.9585 -15.8622 -15.8620 -15.8537 -15.8534 -1.7860 -1.7798 -0.0955 -0.0677 2.2217 2.3019 2.3255 2.4658 2.5124 2.5745 2.6854 2.7428 2.8314 3.0146 3.2640 3.4462 3.6248 3.8475 3.9577 4.0181 4.0933 4.1606 4.3190 4.3978 4.5608 4.6758 4.7952 4.9149 6.8551 6.9565 7.4758 7.6182 7.7208 7.8025 9.3937 9.4528 10.8851 10.9784 11.1240 11.2142 11.9072 11.9736 k = 0.2847 0.2507 0.6755 ( 7534 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1439 -16.1437 -16.0378 -16.0367 -15.9715 -15.9704 -15.9589 -15.9586 -15.8623 -15.8620 -15.8537 -15.8534 -1.7746 -1.7688 -0.0841 -0.0566 2.2253 2.3187 2.3362 2.4753 2.5154 2.5786 2.7005 2.7524 2.8216 2.9809 3.2442 3.4549 3.6383 3.8588 3.9558 4.0127 4.1004 4.1395 4.2867 4.3826 4.5548 4.6674 4.7564 4.8664 6.8925 6.9919 7.4974 7.6062 7.6958 7.7647 9.3814 9.4391 10.9075 10.9980 11.1122 11.2024 11.8368 11.9052 k = 0.2778 0.2569 0.6907 ( 7540 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1439 -16.1437 -16.0379 -16.0368 -15.9715 -15.9704 -15.9589 -15.9586 -15.8623 -15.8621 -15.8537 -15.8534 -1.7651 -1.7598 -0.0746 -0.0475 2.2282 2.3335 2.3464 2.4811 2.5187 2.5857 2.7139 2.7567 2.8204 2.9471 3.2247 3.4626 3.6518 3.8717 3.9539 4.0067 4.1075 4.1182 4.2574 4.3659 4.5550 4.6619 4.7230 4.8262 6.9280 7.0249 7.5145 7.5846 7.6826 7.7308 9.3708 9.4266 10.9295 11.0212 11.1029 11.1935 11.7733 11.8453 k = 0.2708 0.2631 0.7059 ( 7544 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1439 -16.1438 -16.0379 -16.0368 -15.9715 -15.9704 -15.9590 -15.9587 -15.8623 -15.8621 -15.8537 -15.8535 -1.7575 -1.7526 -0.0672 -0.0403 2.2303 2.3454 2.3557 2.4840 2.5215 2.5958 2.7193 2.7608 2.8280 2.9140 3.2068 3.4688 3.6646 3.8858 3.9519 4.0008 4.0937 4.1179 4.2325 4.3499 4.5612 4.6577 4.6934 4.7956 6.9599 7.0541 7.5207 7.5663 7.6748 7.7035 9.3622 9.4161 10.9496 11.0460 11.0953 11.1867 11.7188 11.7956 k = 0.2639 0.2692 0.7211 ( 7548 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1438 -16.0379 -16.0368 -15.9715 -15.9705 -15.9590 -15.9587 -15.8623 -15.8621 -15.8537 -15.8535 -1.7521 -1.7475 -0.0618 -0.0351 2.2318 2.3538 2.3634 2.4852 2.5233 2.6080 2.7125 2.7740 2.8385 2.8828 3.1919 3.4733 3.6754 3.9004 3.9492 3.9955 4.0731 4.1258 4.2130 4.3370 4.5727 4.6517 4.6685 4.7748 6.9857 7.0773 7.5090 7.5650 7.6642 7.6882 9.3559 9.4080 10.9663 11.0688 11.0899 11.1811 11.6761 11.7580 k = 0.2569 0.2754 0.7363 ( 7550 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1438 -16.0380 -16.0368 -15.9715 -15.9705 -15.9590 -15.9587 -15.8624 -15.8621 -15.8537 -15.8535 -1.7488 -1.7444 -0.0585 -0.0319 2.2326 2.3588 2.3685 2.4856 2.5242 2.6192 2.7020 2.7924 2.8458 2.8561 3.1819 3.4760 3.6829 3.9137 3.9453 3.9918 4.0574 4.1323 4.1999 4.3287 4.5885 4.6341 4.6586 4.7632 7.0027 7.0924 7.4947 7.5698 7.6529 7.6832 9.3520 9.4029 10.9776 11.0805 11.0919 11.1766 11.6485 11.7344 k = 0.2500 0.2816 0.7515 ( 7552 PWs) bands (ev): -44.0817 -44.0817 -43.9755 -43.9755 -16.1440 -16.1438 -16.0380 -16.0369 -15.9715 -15.9705 -15.9590 -15.9587 -15.8624 -15.8621 -15.8538 -15.8535 -1.7477 -1.7433 -0.0574 -0.0309 2.2328 2.3604 2.3702 2.4857 2.5246 2.6242 2.6969 2.8048 2.8387 2.8512 3.1784 3.4768 3.6858 3.9209 3.9420 3.9900 4.0514 4.1350 4.1948 4.3262 4.6032 4.6169 4.6569 4.7596 7.0085 7.0975 7.4892 7.5719 7.6486 7.6820 9.3508 9.4012 10.9816 11.0807 11.0971 11.1748 11.6388 11.7262 k = 0.3171-0.2816 0.7515 ( 7559 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1440 -16.1437 -16.0377 -16.0376 -15.9722 -15.9703 -15.9590 -15.9577 -15.8622 -15.8617 -15.8533 -15.8532 -1.6955 -1.6875 -0.2747 -0.2585 2.0731 2.1326 2.2643 2.2965 2.4243 2.4746 2.4843 2.7060 2.8563 3.1359 3.4042 3.4900 3.5809 3.7128 3.8131 4.0340 4.1456 4.3555 4.4381 4.5382 4.7122 4.8449 5.0512 5.1679 5.8959 5.9769 7.1277 7.2714 8.4911 8.9850 9.6609 9.7751 11.8436 11.8582 12.4478 12.4870 13.5071 13.6917 k = 0.3239-0.2876 0.7365 ( 7561 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1439 -16.1437 -16.0377 -16.0376 -15.9722 -15.9703 -15.9589 -15.9576 -15.8621 -15.8617 -15.8533 -15.8532 -1.6990 -1.6907 -0.3080 -0.2942 2.0778 2.1309 2.2650 2.2922 2.4084 2.4751 2.4833 2.6987 2.8748 3.1342 3.3965 3.4759 3.5897 3.6905 3.8251 4.0381 4.1415 4.3073 4.4376 4.5193 4.7438 4.8817 5.0653 5.1879 5.8425 5.9228 7.2482 7.3999 8.6095 9.1080 9.7403 9.8594 11.8965 11.9081 12.4195 12.4589 13.4462 13.6336 k = 0.3308-0.2937 0.7216 ( 7555 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1439 -16.1436 -16.0377 -16.0375 -15.9722 -15.9702 -15.9588 -15.9576 -15.8620 -15.8616 -15.8533 -15.8532 -1.7037 -1.6951 -0.3412 -0.3296 2.0802 2.1287 2.2667 2.2875 2.3940 2.4757 2.4827 2.6932 2.8935 3.1260 3.3898 3.4619 3.5988 3.6694 3.8407 4.0427 4.1345 4.2604 4.4384 4.5041 4.7793 4.9208 5.0792 5.2120 5.7904 5.8712 7.3736 7.5326 8.7288 9.2311 9.8208 9.9446 11.9376 11.9531 12.3855 12.4290 13.3873 13.5734 k = 0.3376-0.2997 0.7067 ( 7552 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1439 -16.1436 -16.0376 -16.0375 -15.9722 -15.9702 -15.9587 -15.9575 -15.8620 -15.8615 -15.8533 -15.8532 -1.7095 -1.7007 -0.3741 -0.3643 2.0804 2.1259 2.2685 2.2829 2.3817 2.4765 2.4823 2.6893 2.9119 3.1122 3.3838 3.4481 3.6079 3.6494 3.8584 4.0475 4.1216 4.2206 4.4397 4.4923 4.8183 4.9585 5.0938 5.2412 5.7400 5.8232 7.5038 7.6689 8.8488 9.3538 9.9017 10.0304 11.9656 11.9883 12.3461 12.3977 13.3305 13.5117 k = 0.3444-0.3058 0.6917 ( 7544 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1438 -16.1435 -16.0376 -16.0375 -15.9722 -15.9702 -15.9586 -15.9574 -15.8619 -15.8615 -15.8532 -15.8532 -1.7162 -1.7073 -0.4065 -0.3984 2.0789 2.1227 2.2690 2.2795 2.3720 2.4774 2.4821 2.6867 2.9295 3.0940 3.3783 3.4348 3.6161 3.6317 3.8769 4.0503 4.1004 4.1932 4.4412 4.4833 4.8597 4.9918 5.1106 5.2762 5.6920 5.7807 7.6382 7.8085 8.9691 9.4757 9.9829 10.1162 11.9788 12.0077 12.3020 12.3651 13.2761 13.4488 k = 0.3512-0.3119 0.6768 ( 7542 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1438 -16.1435 -16.0376 -16.0374 -15.9722 -15.9702 -15.9585 -15.9573 -15.8618 -15.8614 -15.8532 -15.8531 -1.7237 -1.7147 -0.4382 -0.4316 2.0759 2.1192 2.2662 2.2786 2.3651 2.4784 2.4822 2.6850 2.9460 3.0728 3.3734 3.4222 3.6098 3.6295 3.8949 4.0407 4.0825 4.1781 4.4427 4.4767 4.9011 5.0190 5.1317 5.3151 5.6472 5.7465 7.7766 7.9509 9.0895 9.5960 10.0638 10.2014 11.9747 12.0056 12.2543 12.3310 13.2242 13.3850 k = 0.3581-0.3179 0.6618 ( 7539 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1437 -16.1435 -16.0375 -16.0374 -15.9721 -15.9702 -15.9585 -15.9572 -15.8617 -15.8614 -15.8532 -15.8531 -1.7318 -1.7228 -0.4692 -0.4639 2.0720 2.1155 2.2616 2.2783 2.3612 2.4794 2.4824 2.6839 2.9608 3.0500 3.3689 3.4103 3.5938 3.6381 3.9112 4.0098 4.0823 4.1699 4.4443 4.4720 4.9386 5.0398 5.1604 5.3526 5.6069 5.7261 7.9187 8.0956 9.2095 9.7139 10.1439 10.2852 11.9507 11.9769 12.2044 12.2953 13.1749 13.3205 k = 0.3649-0.3240 0.6469 ( 7542 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1437 -16.1434 -16.0375 -16.0373 -15.9721 -15.9702 -15.9584 -15.9572 -15.8617 -15.8613 -15.8532 -15.8531 -1.7404 -1.7314 -0.4993 -0.4951 2.0674 2.1117 2.2566 2.2772 2.3603 2.4804 2.4829 2.6828 2.9731 3.0278 3.3647 3.3992 3.5782 3.6470 3.9254 3.9727 4.0885 4.1647 4.4459 4.4687 4.9681 5.0548 5.1988 5.3803 5.5731 5.7268 8.0641 8.2422 9.3288 9.8284 10.2226 10.3667 11.9059 11.9188 12.1538 12.2579 13.1281 13.2556 k = 0.3717-0.3300 0.6320 ( 7546 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1437 -16.1434 -16.0375 -16.0373 -15.9721 -15.9702 -15.9583 -15.9571 -15.8616 -15.8613 -15.8532 -15.8531 -1.7493 -1.7404 -0.5283 -0.5250 2.0626 2.1078 2.2518 2.2750 2.3618 2.4814 2.4835 2.6812 2.9791 3.0106 3.3610 3.3890 3.5636 3.6555 3.9324 3.9415 4.0959 4.1609 4.4475 4.4665 4.9878 5.0648 5.2444 5.3913 5.5503 5.7547 8.2124 8.3903 9.4470 9.9383 10.2993 10.4446 11.8335 11.8414 12.1032 12.2190 13.0833 13.1904 k = 0.3785-0.3361 0.6170 ( 7550 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1436 -16.1434 -16.0375 -16.0373 -15.9721 -15.9702 -15.9582 -15.9571 -15.8615 -15.8612 -15.8532 -15.8531 -1.7583 -1.7497 -0.5562 -0.5537 2.0578 2.1039 2.2473 2.2719 2.3649 2.4825 2.4843 2.6783 2.9705 3.0080 3.3575 3.3798 3.5502 3.6629 3.9018 3.9488 4.1030 4.1578 4.4489 4.4650 4.9989 5.0705 5.2872 5.3861 5.5471 5.8080 8.3633 8.5394 9.5635 10.0418 10.3730 10.5173 11.7286 11.7595 12.0523 12.1784 13.0399 13.1249 k = 0.3854-0.3422 0.6021 ( 7544 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1436 -16.1433 -16.0374 -16.0372 -15.9720 -15.9702 -15.9581 -15.9570 -15.8614 -15.8612 -15.8531 -15.8531 -1.7675 -1.7590 -0.5828 -0.5809 2.0531 2.1001 2.2433 2.2684 2.3689 2.4837 2.4852 2.6735 2.9549 3.0134 3.3542 3.3715 3.5381 3.6685 3.8728 3.9571 4.1091 4.1550 4.4502 4.4639 5.0035 5.0723 5.3125 5.3712 5.5755 5.8794 8.5164 8.6890 9.6777 10.1369 10.4425 10.5823 11.6128 11.6659 12.0012 12.1362 12.9973 13.0595 k = 0.3922-0.3482 0.5871 ( 7544 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1436 -16.1433 -16.0374 -16.0372 -15.9720 -15.9702 -15.9580 -15.9570 -15.8614 -15.8611 -15.8531 -15.8531 -1.7765 -1.7684 -0.6080 -0.6066 2.0489 2.0963 2.2399 2.2648 2.3734 2.4850 2.4861 2.6661 2.9407 3.0190 3.3511 3.3643 3.5273 3.6712 3.8494 3.9642 4.1139 4.1524 4.4513 4.4632 5.0034 5.0707 5.3163 5.3525 5.6372 5.9622 8.6713 8.8384 9.7889 10.2205 10.5060 10.6360 11.4959 11.5675 11.9502 12.0919 12.9551 12.9945 k = 0.3990-0.3543 0.5722 ( 7534 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1435 -16.1433 -16.0373 -16.0372 -15.9719 -15.9703 -15.9579 -15.9569 -15.8613 -15.8611 -15.8531 -15.8531 -1.7853 -1.7776 -0.6317 -0.6308 2.0451 2.0926 2.2370 2.2614 2.3779 2.4862 2.4873 2.6557 2.9302 3.0235 3.3479 3.3581 3.5178 3.6697 3.8329 3.9700 4.1171 4.1499 4.4521 4.4626 4.9998 5.0660 5.3077 5.3332 5.7213 6.0517 8.8275 8.9871 9.8961 10.2884 10.5609 10.6737 11.3881 11.4735 11.8998 12.0451 12.9129 12.9307 k = 0.4058-0.3603 0.5573 ( 7534 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1435 -16.1433 -16.0373 -16.0371 -15.9719 -15.9703 -15.9578 -15.9569 -15.8612 -15.8610 -15.8531 -15.8530 -1.7938 -1.7865 -0.6539 -0.6532 2.0419 2.0890 2.2347 2.2582 2.3823 2.4871 2.4889 2.6426 2.9237 3.0265 3.3447 3.3529 3.5098 3.6634 3.8241 3.9748 4.1187 4.1473 4.4527 4.4620 4.9938 5.0583 5.2949 5.3154 5.8181 6.1450 8.9843 9.1342 9.9980 10.3339 10.6040 10.6901 11.3001 11.3948 11.8502 11.9950 12.8649 12.8747 k = 0.4127-0.3664 0.5423 ( 7536 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1434 -16.1432 -16.0373 -16.0371 -15.9718 -15.9704 -15.9577 -15.9568 -15.8612 -15.8610 -15.8530 -15.8530 -1.8019 -1.7950 -0.6745 -0.6739 2.0392 2.0855 2.2330 2.2554 2.3866 2.4878 2.4907 2.6270 2.9210 3.0281 3.3413 3.3487 3.5033 3.6528 3.8225 3.9786 4.1188 4.1447 4.4529 4.4615 4.9861 5.0482 5.2821 5.2998 5.9218 6.2396 9.1411 9.2787 10.0918 10.3486 10.6321 10.6845 11.2411 11.3411 11.8017 11.9410 12.8060 12.8325 k = 0.4195-0.3725 0.5274 ( 7540 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1434 -16.1432 -16.0373 -16.0371 -15.9718 -15.9704 -15.9576 -15.9568 -15.8612 -15.8610 -15.8530 -15.8530 -1.8094 -1.8031 -0.6934 -0.6927 2.0372 2.0822 2.2319 2.2529 2.3907 2.4883 2.4926 2.6097 2.9216 3.0283 3.3381 3.3452 3.4983 3.6392 3.8265 3.9815 4.1175 4.1420 4.4529 4.4609 4.9775 5.0362 5.2707 5.2866 6.0291 6.3336 9.2965 9.4193 10.1725 10.3275 10.6297 10.6804 11.2148 11.3144 11.7546 11.8824 12.7494 12.7921 k = 0.4263-0.3785 0.5124 ( 7545 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1434 -16.1432 -16.0373 -16.0371 -15.9717 -15.9705 -15.9575 -15.9568 -15.8611 -15.8610 -15.8530 -15.8530 -1.8164 -1.8106 -0.7104 -0.7097 2.0358 2.0789 2.2312 2.2507 2.3947 2.4886 2.4943 2.5916 2.9246 3.0274 3.3351 3.3422 3.4949 3.6241 3.8345 3.9834 4.1152 4.1390 4.4526 4.4604 4.9686 5.0230 5.2613 5.2756 6.1376 6.4248 9.4488 9.5538 10.2285 10.2767 10.6018 10.6942 11.2162 11.3075 11.7091 11.8192 12.6975 12.7529 k = 0.4331-0.3846 0.4975 ( 7555 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1434 -16.1432 -16.0373 -16.0371 -15.9716 -15.9706 -15.9575 -15.9568 -15.8611 -15.8610 -15.8530 -15.8530 -1.8227 -1.8175 -0.7256 -0.7249 2.0349 2.0758 2.2310 2.2489 2.3989 2.4886 2.4959 2.5734 2.9295 3.0254 3.3325 3.3394 3.4931 3.6086 3.8451 3.9841 4.1121 4.1358 4.4521 4.4598 4.9601 5.0094 5.2538 5.2667 6.2450 6.5111 9.5936 9.6787 10.2132 10.2428 10.5954 10.7079 11.2338 11.3091 11.6654 11.7527 12.6515 12.7153 k = 0.4400-0.3906 0.4826 ( 7558 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1434 -16.1432 -16.0373 -16.0371 -15.9716 -15.9706 -15.9574 -15.9568 -15.8611 -15.8610 -15.8530 -15.8530 -1.8282 -1.8236 -0.7389 -0.7381 2.0345 2.0729 2.2312 2.2474 2.4032 2.4881 2.4973 2.5560 2.9357 3.0227 3.3303 3.3368 3.4928 3.5934 3.8575 3.9834 4.1086 4.1325 4.4514 4.4592 4.9524 4.9959 5.2480 5.2596 6.3492 6.5901 9.7198 9.7866 10.1606 10.2173 10.6273 10.7158 11.2552 11.3097 11.6232 11.6874 12.6121 12.6799 k = 0.4468-0.3967 0.4676 ( 7560 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1434 -16.1432 -16.0372 -16.0370 -15.9715 -15.9707 -15.9573 -15.9568 -15.8611 -15.8610 -15.8530 -15.8530 -1.8329 -1.8290 -0.7502 -0.7493 2.0346 2.0702 2.2316 2.2461 2.4080 2.4865 2.4983 2.5403 2.9424 3.0192 3.3286 3.3344 3.4940 3.5789 3.8710 3.9811 4.1051 4.1291 4.4508 4.4585 4.9459 4.9833 5.2436 5.2540 6.4481 6.6593 9.7975 9.8645 10.1519 10.1922 10.6816 10.7166 11.2651 11.3049 11.5804 11.6335 12.5800 12.6476 k = 0.4536-0.4028 0.4527 ( 7556 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1433 -16.1432 -16.0372 -16.0370 -15.9714 -15.9708 -15.9572 -15.9568 -15.8610 -15.8609 -15.8530 -15.8530 -1.8368 -1.8335 -0.7594 -0.7586 2.0349 2.0678 2.2322 2.2451 2.4134 2.4830 2.4991 2.5275 2.9494 3.0154 3.3274 3.3323 3.4968 3.5653 3.8851 3.9770 4.1018 4.1260 4.4502 4.4580 4.9409 4.9718 5.2404 5.2497 6.5390 6.7161 9.8060 9.8869 10.2003 10.2248 10.7047 10.7469 11.2438 11.2971 11.5406 11.5997 12.5552 12.6191 k = 0.4604-0.4088 0.4377 ( 7558 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1433 -16.1432 -16.0372 -16.0370 -15.9713 -15.9708 -15.9572 -15.9569 -15.8610 -15.8609 -15.8530 -15.8530 -1.8397 -1.8372 -0.7667 -0.7658 2.0354 2.0658 2.2329 2.2442 2.4194 2.4769 2.4996 2.5188 2.9561 3.0113 3.3265 3.3304 3.5009 3.5527 3.8994 3.9708 4.0992 4.1231 4.4497 4.4574 4.9374 4.9620 5.2381 5.2465 6.6196 6.7577 9.7816 9.8571 10.2697 10.3226 10.6900 10.8035 11.1948 11.2756 11.5180 11.5808 12.5373 12.5954 k = 0.4673-0.4149 0.4228 ( 7562 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1433 -16.1432 -16.0372 -16.0370 -15.9713 -15.9709 -15.9571 -15.9569 -15.8610 -15.8609 -15.8530 -15.8530 -1.8418 -1.8399 -0.7719 -0.7710 2.0359 2.0642 2.2335 2.2436 2.4261 2.4687 2.4999 2.5140 2.9619 3.0075 3.3262 3.3288 3.5064 3.5412 3.9136 3.9627 4.0973 4.1209 4.4494 4.4570 4.9357 4.9541 5.2366 5.2443 6.6869 6.7820 9.7569 9.8128 10.3457 10.4281 10.6749 10.8411 11.1407 11.2372 11.5135 11.5700 12.5256 12.5773 k = 0.4741-0.4209 0.4079 ( 7566 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1433 -16.1432 -16.0372 -16.0370 -15.9712 -15.9710 -15.9571 -15.9569 -15.8610 -15.8610 -15.8530 -15.8530 -1.8430 -1.8416 -0.7750 -0.7741 2.0363 2.0632 2.2339 2.2431 2.4327 2.4602 2.5000 2.5118 2.9661 3.0045 3.3262 3.3276 3.5131 3.5308 3.9271 3.9530 4.0962 4.1195 4.4492 4.4567 4.9352 4.9486 5.2357 5.2430 6.7384 6.7873 9.7452 9.7746 10.4125 10.4956 10.6849 10.8343 11.1171 11.1908 11.5167 11.5637 12.5193 12.5658 k = 0.4809-0.4270 0.3929 ( 7580 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1433 -16.1433 -16.0372 -16.0371 -15.9711 -15.9711 -15.9571 -15.9570 -15.8610 -15.8610 -15.8530 -15.8530 -1.8434 -1.8422 -0.7760 -0.7752 2.0364 2.0628 2.2341 2.2430 2.4364 2.4558 2.5001 2.5112 2.9677 3.0034 3.3264 3.3270 3.5196 3.5231 3.9367 3.9446 4.0958 4.1190 4.4491 4.4566 4.9353 4.9466 5.2354 5.2426 6.7687 6.7763 9.7504 9.7517 10.4464 10.5041 10.7186 10.8024 11.1284 11.1578 11.5189 11.5614 12.5174 12.5618 k = 0.5191 0.5462 0.0156 ( 7580 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1433 -16.1433 -16.0372 -16.0371 -15.9711 -15.9711 -15.9571 -15.9570 -15.8610 -15.8610 -15.8530 -15.8530 -1.8434 -1.8422 -0.7760 -0.7752 2.0364 2.0628 2.2341 2.2430 2.4364 2.4558 2.5001 2.5112 2.9677 3.0034 3.3264 3.3270 3.5196 3.5231 3.9367 3.9446 4.0958 4.1190 4.4491 4.4566 4.9353 4.9466 5.2354 5.2426 6.7687 6.7763 9.7504 9.7517 10.4464 10.5041 10.7186 10.8024 11.1284 11.1578 11.5189 11.5614 12.5174 12.5618 k = 0.5095 0.5547 0.0078 ( 7578 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1433 -16.1433 -16.0372 -16.0371 -15.9711 -15.9711 -15.9571 -15.9570 -15.8610 -15.8610 -15.8530 -15.8530 -1.8402 -1.8396 -0.7777 -0.7773 2.0419 2.0551 2.2356 2.2401 2.4410 2.4508 2.5018 2.5075 2.9770 2.9949 3.3284 3.3288 3.5178 3.5195 3.9383 3.9423 4.1011 4.1127 4.4514 4.4552 4.9518 4.9581 5.2176 5.2218 6.7675 6.7713 9.7686 9.7691 10.4667 10.4975 10.7424 10.7866 11.1457 11.1600 11.5184 11.5410 12.5265 12.5493 k = 0.5000 0.5631-0.0000 ( 7578 PWs) bands (ev): -44.0818 -44.0818 -43.9755 -43.9755 -16.1433 -16.1433 -16.0371 -16.0371 -15.9711 -15.9711 -15.9570 -15.9570 -15.8610 -15.8610 -15.8530 -15.8530 -1.8390 -1.8390 -0.7781 -0.7781 2.0481 2.0481 2.2376 2.2376 2.4458 2.4458 2.5043 2.5043 2.9861 2.9861 3.3292 3.3292 3.5177 3.5177 3.9402 3.9402 4.1068 4.1068 4.4535 4.4535 4.9601 4.9601 5.2128 5.2128 6.7684 6.7684 9.7748 9.7748 10.4845 10.4845 10.7659 10.7659 11.1561 11.1561 11.5259 11.5259 12.5375 12.5375 Writing output data file NaGeAu.save init_run : 3.06s CPU 11.70s WALL ( 1 calls) electrons : 1470.74s CPU 1484.01s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.33s CPU 1.50s WALL ( 1 calls) Called by electrons: c_bands : 1470.62s CPU 1483.71s WALL ( 1 calls) v_of_rho : 0.17s CPU 0.94s WALL ( 1 calls) v_h : 0.01s CPU 0.06s WALL ( 1 calls) v_xc : 0.15s CPU 0.61s WALL ( 1 calls) newd : 0.44s CPU 0.61s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.14s WALL ( 354 calls) cegterg : 1350.30s CPU 1357.47s WALL ( 816 calls) Called by sum_band: Called by *egterg: h_psi : 816.21s CPU 825.95s WALL ( 13385 calls) s_psi : 40.42s CPU 40.79s WALL ( 13385 calls) g_psi : 1.76s CPU 1.75s WALL ( 12215 calls) cdiaghg : 339.06s CPU 335.94s WALL ( 12569 calls) cegterg:over : 102.99s CPU 101.09s WALL ( 12215 calls) cegterg:upda : 31.89s CPU 35.65s WALL ( 12215 calls) cegterg:last : 27.87s CPU 28.81s WALL ( 2404 calls) Called by h_psi: h_psi:vloc : 726.88s CPU 734.52s WALL ( 13385 calls) h_psi:vnl : 88.51s CPU 89.75s WALL ( 13385 calls) add_vuspsi : 30.75s CPU 34.49s WALL ( 13385 calls) General routines calbec : 57.68s CPU 55.12s WALL ( 13385 calls) fft : 0.29s CPU 1.37s WALL ( 19 calls) ffts : 0.02s CPU 0.04s WALL ( 4 calls) fftw : 688.12s CPU 693.06s WALL ( 1663332 calls) interpolate : 0.03s CPU 0.07s WALL ( 4 calls) davcio : 0.04s CPU 6.14s WALL ( 708 calls) Parallel routines fft_scatter : 401.48s CPU 399.95s WALL ( 1663355 calls) PWSCF : 26m 2.05s CPU 30m24.47s WALL This run was terminated on: 12:19:52 19Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=