Program PWSCF v.5.1.1 starts on 23Nov2015 at 15:15:23 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: ./ZnGeO3.save/ file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 45 26 7 1383 598 92 Max 46 27 8 1388 618 97 Sum 2193 1259 363 66499 29305 4537 bravais-lattice index = 14 lattice parameter (alat) = 10.0713 a.u. unit-cell volume = 675.4015 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 68.00 number of Kohn-Sham states= 82 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.071273 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.542007 celldm(5)= 0.542007 celldm(6)= 0.542007 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.542007 0.840374 0.000000 ) a(3) = ( 0.542007 0.295387 0.786749 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.644960 -0.446768 ) b(2) = ( 0.000000 1.189947 -0.446768 ) b(3) = ( 0.000000 0.000000 1.271053 ) 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 O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 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 Zn read from file: /home/autes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 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) O 6.00 15.99940 O( 1.00) Zn 12.00 65.40900 Zn( 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= 277 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 2) = ( 0.0131579 -0.0084863 -0.0058785), wk = 0.0036101 k( 3) = ( 0.0263158 -0.0169726 -0.0117571), wk = 0.0036101 k( 4) = ( 0.0394737 -0.0254589 -0.0176356), wk = 0.0036101 k( 5) = ( 0.0526316 -0.0339453 -0.0235141), wk = 0.0036101 k( 6) = ( 0.0657895 -0.0424316 -0.0293926), wk = 0.0036101 k( 7) = ( 0.0789474 -0.0509179 -0.0352712), wk = 0.0036101 k( 8) = ( 0.0921053 -0.0594042 -0.0411497), wk = 0.0036101 k( 9) = ( 0.1052632 -0.0678905 -0.0470282), wk = 0.0036101 k( 10) = ( 0.1184210 -0.0763768 -0.0529068), wk = 0.0036101 k( 11) = ( 0.1315790 -0.0848631 -0.0587853), wk = 0.0036101 k( 12) = ( 0.1447368 -0.0933495 -0.0646638), wk = 0.0036101 k( 13) = ( 0.1578947 -0.1018358 -0.0705424), wk = 0.0036101 k( 14) = ( 0.1710526 -0.1103221 -0.0764209), wk = 0.0036101 k( 15) = ( 0.1842105 -0.1188084 -0.0822994), wk = 0.0036101 k( 16) = ( 0.1973684 -0.1272947 -0.0881779), wk = 0.0036101 k( 17) = ( 0.2105263 -0.1357810 -0.0940565), wk = 0.0036101 k( 18) = ( 0.2236842 -0.1442673 -0.0999350), wk = 0.0036101 k( 19) = ( 0.2368421 -0.1527537 -0.1058135), wk = 0.0036101 k( 20) = ( 0.2500000 -0.1612400 -0.1116921), wk = 0.0036101 k( 21) = ( 0.2631579 -0.1697263 -0.1175706), wk = 0.0036101 k( 22) = ( 0.2763158 -0.1782126 -0.1234491), wk = 0.0036101 k( 23) = ( 0.2894737 -0.1866989 -0.1293277), wk = 0.0036101 k( 24) = ( 0.3026316 -0.1951852 -0.1352062), wk = 0.0036101 k( 25) = ( 0.3157895 -0.2036715 -0.1410847), wk = 0.0036101 k( 26) = ( 0.3289474 -0.2121579 -0.1469632), wk = 0.0036101 k( 27) = ( 0.3421053 -0.2206442 -0.1528418), wk = 0.0036101 k( 28) = ( 0.3552632 -0.2291305 -0.1587203), wk = 0.0036101 k( 29) = ( 0.3684211 -0.2376168 -0.1645988), wk = 0.0036101 k( 30) = ( 0.3815789 -0.2461031 -0.1704774), wk = 0.0036101 k( 31) = ( 0.3947368 -0.2545894 -0.1763559), wk = 0.0036101 k( 32) = ( 0.4078947 -0.2630757 -0.1822344), wk = 0.0036101 k( 33) = ( 0.4210526 -0.2715621 -0.1881130), wk = 0.0036101 k( 34) = ( 0.4342105 -0.2800484 -0.1939915), wk = 0.0036101 k( 35) = ( 0.4473684 -0.2885347 -0.1998700), wk = 0.0036101 k( 36) = ( 0.4605263 -0.2970210 -0.2057485), wk = 0.0036101 k( 37) = ( 0.4736842 -0.3055073 -0.2116271), wk = 0.0036101 k( 38) = ( 0.4868421 -0.3139936 -0.2175056), wk = 0.0036101 k( 39) = ( 0.5000000 -0.3224799 -0.2233841), wk = 0.0036101 k( 40) = ( 0.5000000 -0.3224799 -0.2233841), wk = 0.0036101 k( 41) = ( 0.5000000 -0.3129635 -0.2371222), wk = 0.0036101 k( 42) = ( 0.5000000 -0.3034470 -0.2508603), wk = 0.0036101 k( 43) = ( 0.5000000 -0.2939306 -0.2645984), wk = 0.0036101 k( 44) = ( 0.5000000 -0.2844141 -0.2783364), wk = 0.0036101 k( 45) = ( 0.5000000 -0.2748976 -0.2920745), wk = 0.0036101 k( 46) = ( 0.5000000 -0.2653812 -0.3058126), wk = 0.0036101 k( 47) = ( 0.5000000 -0.2558647 -0.3195507), wk = 0.0036101 k( 48) = ( 0.5000000 -0.2463483 -0.3332887), wk = 0.0036101 k( 49) = ( 0.5000000 -0.2368318 -0.3470268), wk = 0.0036101 k( 50) = ( 0.5000000 -0.2273153 -0.3607649), wk = 0.0036101 k( 51) = ( 0.5000000 -0.2177989 -0.3745030), wk = 0.0036101 k( 52) = ( 0.5000000 -0.2082824 -0.3882410), wk = 0.0036101 k( 53) = ( 0.5000000 -0.1987659 -0.4019791), wk = 0.0036101 k( 54) = ( 0.5000000 -0.1892495 -0.4157172), wk = 0.0036101 k( 55) = ( 0.5000000 -0.1797330 -0.4294553), wk = 0.0036101 k( 56) = ( 0.5000000 -0.1702166 -0.4431933), wk = 0.0036101 k( 57) = ( 0.5000000 -0.1607001 -0.4569314), wk = 0.0036101 k( 58) = ( 0.5000000 -0.1511836 -0.4706695), wk = 0.0036101 k( 59) = ( 0.5000000 -0.1416672 -0.4844076), wk = 0.0036101 k( 60) = ( 0.5000000 -0.1321507 -0.4981456), wk = 0.0036101 k( 61) = ( 0.5000000 -0.1226343 -0.5118837), wk = 0.0036101 k( 62) = ( 0.5000000 -0.1131178 -0.5256218), wk = 0.0036101 k( 63) = ( 0.5000000 -0.1036013 -0.5393599), wk = 0.0036101 k( 64) = ( 0.5000000 -0.0940849 -0.5530979), wk = 0.0036101 k( 65) = ( 0.5000000 -0.0845684 -0.5668360), wk = 0.0036101 k( 66) = ( 0.5000000 -0.0750520 -0.5805741), wk = 0.0036101 k( 67) = ( 0.5000000 -0.0655355 -0.5943122), wk = 0.0036101 k( 68) = ( 0.5000000 -0.0560190 -0.6080502), wk = 0.0036101 k( 69) = ( 0.5000000 -0.0465026 -0.6217883), wk = 0.0036101 k( 70) = ( 0.5000000 -0.0369861 -0.6355264), wk = 0.0036101 k( 71) = ( 0.7600785 0.1047532 -0.2580101), wk = 0.0036101 k( 72) = ( 0.7521973 0.1098363 -0.2444717), wk = 0.0036101 k( 73) = ( 0.7443161 0.1149193 -0.2309333), wk = 0.0036101 k( 74) = ( 0.7364350 0.1200024 -0.2173948), wk = 0.0036101 k( 75) = ( 0.7285538 0.1250854 -0.2038564), wk = 0.0036101 k( 76) = ( 0.7206726 0.1301684 -0.1903180), wk = 0.0036101 k( 77) = ( 0.7127915 0.1352515 -0.1767795), wk = 0.0036101 k( 78) = ( 0.7049103 0.1403345 -0.1632411), wk = 0.0036101 k( 79) = ( 0.6970291 0.1454175 -0.1497027), wk = 0.0036101 k( 80) = ( 0.6891480 0.1505006 -0.1361643), wk = 0.0036101 k( 81) = ( 0.6812668 0.1555836 -0.1226258), wk = 0.0036101 k( 82) = ( 0.6733856 0.1606666 -0.1090874), wk = 0.0036101 k( 83) = ( 0.6655045 0.1657497 -0.0955490), wk = 0.0036101 k( 84) = ( 0.6576233 0.1708327 -0.0820105), wk = 0.0036101 k( 85) = ( 0.6497422 0.1759157 -0.0684721), wk = 0.0036101 k( 86) = ( 0.6418610 0.1809988 -0.0549337), wk = 0.0036101 k( 87) = ( 0.6339798 0.1860818 -0.0413952), wk = 0.0036101 k( 88) = ( 0.6260986 0.1911649 -0.0278568), wk = 0.0036101 k( 89) = ( 0.6182175 0.1962479 -0.0143184), wk = 0.0036101 k( 90) = ( 0.6103363 0.2013309 -0.0007799), wk = 0.0036101 k( 91) = ( 0.6024552 0.2064140 0.0127585), wk = 0.0036101 k( 92) = ( 0.5945740 0.2114970 0.0262969), wk = 0.0036101 k( 93) = ( 0.5866928 0.2165800 0.0398354), wk = 0.0036101 k( 94) = ( 0.5788117 0.2216631 0.0533738), wk = 0.0036101 k( 95) = ( 0.5709305 0.2267461 0.0669122), wk = 0.0036101 k( 96) = ( 0.5630493 0.2318291 0.0804507), wk = 0.0036101 k( 97) = ( 0.5551682 0.2369122 0.0939891), wk = 0.0036101 k( 98) = ( 0.5472870 0.2419952 0.1075275), wk = 0.0036101 k( 99) = ( 0.5394058 0.2470782 0.1210660), wk = 0.0036101 k( 100) = ( 0.5315247 0.2521613 0.1346044), wk = 0.0036101 k( 101) = ( 0.5236435 0.2572443 0.1481428), wk = 0.0036101 k( 102) = ( 0.5157623 0.2623274 0.1616813), wk = 0.0036101 k( 103) = ( 0.5078812 0.2674104 0.1752197), wk = 0.0036101 k( 104) = ( 0.5000000 0.2724934 0.1887581), wk = 0.0036101 k( 105) = ( 0.5000000 0.2724934 0.1887581), wk = 0.0036101 k( 106) = ( 0.4861111 0.2649242 0.1835148), wk = 0.0036101 k( 107) = ( 0.4722222 0.2573549 0.1782716), wk = 0.0036101 k( 108) = ( 0.4583333 0.2497856 0.1730283), wk = 0.0036101 k( 109) = ( 0.4444444 0.2422164 0.1677850), wk = 0.0036101 k( 110) = ( 0.4305556 0.2346471 0.1625417), wk = 0.0036101 k( 111) = ( 0.4166667 0.2270779 0.1572984), wk = 0.0036101 k( 112) = ( 0.4027778 0.2195086 0.1520552), wk = 0.0036101 k( 113) = ( 0.3888889 0.2119393 0.1468119), wk = 0.0036101 k( 114) = ( 0.3750000 0.2043701 0.1415686), wk = 0.0036101 k( 115) = ( 0.3611111 0.1968008 0.1363253), wk = 0.0036101 k( 116) = ( 0.3472222 0.1892315 0.1310820), wk = 0.0036101 k( 117) = ( 0.3333333 0.1816623 0.1258387), wk = 0.0036101 k( 118) = ( 0.3194444 0.1740930 0.1205955), wk = 0.0036101 k( 119) = ( 0.3055556 0.1665238 0.1153522), wk = 0.0036101 k( 120) = ( 0.2916667 0.1589545 0.1101089), wk = 0.0036101 k( 121) = ( 0.2777778 0.1513852 0.1048656), wk = 0.0036101 k( 122) = ( 0.2638889 0.1438160 0.0996223), wk = 0.0036101 k( 123) = ( 0.2500000 0.1362467 0.0943791), wk = 0.0036101 k( 124) = ( 0.2361111 0.1286775 0.0891358), wk = 0.0036101 k( 125) = ( 0.2222222 0.1211082 0.0838925), wk = 0.0036101 k( 126) = ( 0.2083333 0.1135389 0.0786492), wk = 0.0036101 k( 127) = ( 0.1944444 0.1059697 0.0734059), wk = 0.0036101 k( 128) = ( 0.1805556 0.0984004 0.0681627), wk = 0.0036101 k( 129) = ( 0.1666667 0.0908311 0.0629194), wk = 0.0036101 k( 130) = ( 0.1527778 0.0832619 0.0576761), wk = 0.0036101 k( 131) = ( 0.1388889 0.0756926 0.0524328), wk = 0.0036101 k( 132) = ( 0.1250000 0.0681234 0.0471895), wk = 0.0036101 k( 133) = ( 0.1111111 0.0605541 0.0419462), wk = 0.0036101 k( 134) = ( 0.0972222 0.0529848 0.0367030), wk = 0.0036101 k( 135) = ( 0.0833333 0.0454156 0.0314597), wk = 0.0036101 k( 136) = ( 0.0694444 0.0378463 0.0262164), wk = 0.0036101 k( 137) = ( 0.0555556 0.0302770 0.0209731), wk = 0.0036101 k( 138) = ( 0.0416667 0.0227078 0.0157298), wk = 0.0036101 k( 139) = ( 0.0277778 0.0151385 0.0104866), wk = 0.0036101 k( 140) = ( 0.0138889 0.0075693 0.0052433), wk = 0.0036101 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 143) = ( 0.0080426 -0.0051872 -0.0138158), wk = 0.0036101 k( 144) = ( 0.0160852 -0.0103743 -0.0276316), wk = 0.0036101 k( 145) = ( 0.0241279 -0.0155615 -0.0414474), wk = 0.0036101 k( 146) = ( 0.0321705 -0.0207487 -0.0552632), wk = 0.0036101 k( 147) = ( 0.0402131 -0.0259359 -0.0690790), wk = 0.0036101 k( 148) = ( 0.0482558 -0.0311230 -0.0828947), wk = 0.0036101 k( 149) = ( 0.0562984 -0.0363102 -0.0967105), wk = 0.0036101 k( 150) = ( 0.0643410 -0.0414974 -0.1105263), wk = 0.0036101 k( 151) = ( 0.0723836 -0.0466845 -0.1243421), wk = 0.0036101 k( 152) = ( 0.0804263 -0.0518717 -0.1381579), wk = 0.0036101 k( 153) = ( 0.0884689 -0.0570589 -0.1519737), wk = 0.0036101 k( 154) = ( 0.0965115 -0.0622460 -0.1657895), wk = 0.0036101 k( 155) = ( 0.1045541 -0.0674332 -0.1796053), wk = 0.0036101 k( 156) = ( 0.1125967 -0.0726204 -0.1934211), wk = 0.0036101 k( 157) = ( 0.1206394 -0.0778076 -0.2072369), wk = 0.0036101 k( 158) = ( 0.1286820 -0.0829947 -0.2210527), wk = 0.0036101 k( 159) = ( 0.1367246 -0.0881819 -0.2348684), wk = 0.0036101 k( 160) = ( 0.1447673 -0.0933691 -0.2486842), wk = 0.0036101 k( 161) = ( 0.1528099 -0.0985562 -0.2625000), wk = 0.0036101 k( 162) = ( 0.1608525 -0.1037434 -0.2763158), wk = 0.0036101 k( 163) = ( 0.1688951 -0.1089306 -0.2901316), wk = 0.0036101 k( 164) = ( 0.1769378 -0.1141178 -0.3039474), wk = 0.0036101 k( 165) = ( 0.1849804 -0.1193049 -0.3177632), wk = 0.0036101 k( 166) = ( 0.1930230 -0.1244921 -0.3315790), wk = 0.0036101 k( 167) = ( 0.2010656 -0.1296793 -0.3453948), wk = 0.0036101 k( 168) = ( 0.2091083 -0.1348664 -0.3592106), wk = 0.0036101 k( 169) = ( 0.2171509 -0.1400536 -0.3730263), wk = 0.0036101 k( 170) = ( 0.2251935 -0.1452408 -0.3868421), wk = 0.0036101 k( 171) = ( 0.2332361 -0.1504279 -0.4006579), wk = 0.0036101 k( 172) = ( 0.2412788 -0.1556151 -0.4144737), wk = 0.0036101 k( 173) = ( 0.2493214 -0.1608023 -0.4282895), wk = 0.0036101 k( 174) = ( 0.2573640 -0.1659895 -0.4421053), wk = 0.0036101 k( 175) = ( 0.2654066 -0.1711766 -0.4559211), wk = 0.0036101 k( 176) = ( 0.2734493 -0.1763638 -0.4697369), wk = 0.0036101 k( 177) = ( 0.2814919 -0.1815510 -0.4835527), wk = 0.0036101 k( 178) = ( 0.2895345 -0.1867381 -0.4973685), wk = 0.0036101 k( 179) = ( 0.2975771 -0.1919253 -0.5111843), wk = 0.0036101 k( 180) = ( 0.3056198 -0.1971125 -0.5250001), wk = 0.0036101 k( 181) = ( 0.3136624 -0.2022997 -0.5388159), wk = 0.0036101 k( 182) = ( 0.3217050 -0.2074868 -0.5526316), wk = 0.0036101 k( 183) = ( 0.3297476 -0.2126740 -0.5664474), wk = 0.0036101 k( 184) = ( 0.3377903 -0.2178612 -0.5802632), wk = 0.0036101 k( 185) = ( 0.3458329 -0.2230483 -0.5940790), wk = 0.0036101 k( 186) = ( 0.3538755 -0.2282355 -0.6078948), wk = 0.0036101 k( 187) = ( 0.3619181 -0.2334227 -0.6217106), wk = 0.0036101 k( 188) = ( 0.3699608 -0.2386099 -0.6355264), wk = 0.0036101 k( 189) = ( 0.6300392 0.0338836 -0.4467683), wk = 0.0036101 k( 190) = ( 0.6223899 0.0479194 -0.4467683), wk = 0.0036101 k( 191) = ( 0.6147405 0.0619553 -0.4467683), wk = 0.0036101 k( 192) = ( 0.6070911 0.0759912 -0.4467683), wk = 0.0036101 k( 193) = ( 0.5994418 0.0900271 -0.4467683), wk = 0.0036101 k( 194) = ( 0.5917924 0.1040629 -0.4467683), wk = 0.0036101 k( 195) = ( 0.5841430 0.1180988 -0.4467683), wk = 0.0036101 k( 196) = ( 0.5764937 0.1321347 -0.4467683), wk = 0.0036101 k( 197) = ( 0.5688443 0.1461706 -0.4467683), wk = 0.0036101 k( 198) = ( 0.5611949 0.1602064 -0.4467683), wk = 0.0036101 k( 199) = ( 0.5535456 0.1742423 -0.4467683), wk = 0.0036101 k( 200) = ( 0.5458962 0.1882782 -0.4467683), wk = 0.0036101 k( 201) = ( 0.5382468 0.2023141 -0.4467683), wk = 0.0036101 k( 202) = ( 0.5305975 0.2163499 -0.4467683), wk = 0.0036101 k( 203) = ( 0.5229481 0.2303858 -0.4467683), wk = 0.0036101 k( 204) = ( 0.5152987 0.2444217 -0.4467683), wk = 0.0036101 k( 205) = ( 0.5076494 0.2584575 -0.4467683), wk = 0.0036101 k( 206) = ( 0.5000000 0.2724934 -0.4467683), wk = 0.0036101 k( 207) = ( 0.5000000 0.2724934 -0.4467683), wk = 0.0036101 k( 208) = ( 0.5086693 0.2772181 -0.4341844), wk = 0.0036101 k( 209) = ( 0.5173386 0.2819427 -0.4216005), wk = 0.0036101 k( 210) = ( 0.5260079 0.2866674 -0.4090166), wk = 0.0036101 k( 211) = ( 0.5346771 0.2913920 -0.3964328), wk = 0.0036101 k( 212) = ( 0.5433464 0.2961167 -0.3838489), wk = 0.0036101 k( 213) = ( 0.5520157 0.3008413 -0.3712650), wk = 0.0036101 k( 214) = ( 0.5606850 0.3055659 -0.3586811), wk = 0.0036101 k( 215) = ( 0.5693543 0.3102906 -0.3460973), wk = 0.0036101 k( 216) = ( 0.5780235 0.3150152 -0.3335134), wk = 0.0036101 k( 217) = ( 0.5866928 0.3197399 -0.3209295), wk = 0.0036101 k( 218) = ( 0.5953621 0.3244645 -0.3083456), wk = 0.0036101 k( 219) = ( 0.6040314 0.3291892 -0.2957618), wk = 0.0036101 k( 220) = ( 0.6127007 0.3339138 -0.2831779), wk = 0.0036101 k( 221) = ( 0.6213699 0.3386385 -0.2705940), wk = 0.0036101 k( 222) = ( 0.6300392 0.3433631 -0.2580101), wk = 0.0036101 k( 223) = ( 0.6300392 0.3433631 -0.2580101), wk = 0.0036101 k( 224) = ( 0.6253950 0.3408320 -0.2420541), wk = 0.0036101 k( 225) = ( 0.6207507 0.3383010 -0.2260981), wk = 0.0036101 k( 226) = ( 0.6161065 0.3357699 -0.2101421), wk = 0.0036101 k( 227) = ( 0.6114622 0.3332389 -0.1941861), wk = 0.0036101 k( 228) = ( 0.6068179 0.3307078 -0.1782301), wk = 0.0036101 k( 229) = ( 0.6021737 0.3281767 -0.1622741), wk = 0.0036101 k( 230) = ( 0.5975294 0.3256457 -0.1463181), wk = 0.0036101 k( 231) = ( 0.5928852 0.3231146 -0.1303621), wk = 0.0036101 k( 232) = ( 0.5882409 0.3205836 -0.1144061), wk = 0.0036101 k( 233) = ( 0.5835967 0.3180525 -0.0984500), wk = 0.0036101 k( 234) = ( 0.5789524 0.3155214 -0.0824940), wk = 0.0036101 k( 235) = ( 0.5743081 0.3129904 -0.0665380), wk = 0.0036101 k( 236) = ( 0.5696639 0.3104593 -0.0505820), wk = 0.0036101 k( 237) = ( 0.5650196 0.3079283 -0.0346260), wk = 0.0036101 k( 238) = ( 0.5603754 0.3053972 -0.0186700), wk = 0.0036101 k( 239) = ( 0.5557311 0.3028661 -0.0027140), wk = 0.0036101 k( 240) = ( 0.5510868 0.3003351 0.0132420), wk = 0.0036101 k( 241) = ( 0.5464426 0.2978040 0.0291980), wk = 0.0036101 k( 242) = ( 0.5417983 0.2952730 0.0451540), wk = 0.0036101 k( 243) = ( 0.5371541 0.2927419 0.0611100), wk = 0.0036101 k( 244) = ( 0.5325098 0.2902108 0.0770660), wk = 0.0036101 k( 245) = ( 0.5278656 0.2876798 0.0930221), wk = 0.0036101 k( 246) = ( 0.5232213 0.2851487 0.1089781), wk = 0.0036101 k( 247) = ( 0.5185770 0.2826177 0.1249341), wk = 0.0036101 k( 248) = ( 0.5139328 0.2800866 0.1408901), wk = 0.0036101 k( 249) = ( 0.5092885 0.2775555 0.1568461), wk = 0.0036101 k( 250) = ( 0.5046443 0.2750245 0.1728021), wk = 0.0036101 k( 251) = ( 0.5000000 0.2724934 0.1887581), wk = 0.0036101 k( 252) = ( 0.5000000 -0.3224799 -0.2233841), wk = 0.0036101 k( 253) = ( 0.5104031 -0.3115802 -0.2158338), wk = 0.0036101 k( 254) = ( 0.5208063 -0.3006805 -0.2082835), wk = 0.0036101 k( 255) = ( 0.5312094 -0.2897807 -0.2007332), wk = 0.0036101 k( 256) = ( 0.5416126 -0.2788810 -0.1931828), wk = 0.0036101 k( 257) = ( 0.5520157 -0.2679813 -0.1856325), wk = 0.0036101 k( 258) = ( 0.5624188 -0.2570815 -0.1780822), wk = 0.0036101 k( 259) = ( 0.5728220 -0.2461818 -0.1705319), wk = 0.0036101 k( 260) = ( 0.5832251 -0.2352821 -0.1629815), wk = 0.0036101 k( 261) = ( 0.5936282 -0.2243823 -0.1554312), wk = 0.0036101 k( 262) = ( 0.6040314 -0.2134826 -0.1478809), wk = 0.0036101 k( 263) = ( 0.6144345 -0.2025828 -0.1403306), wk = 0.0036101 k( 264) = ( 0.6248377 -0.1916831 -0.1327802), wk = 0.0036101 k( 265) = ( 0.6352408 -0.1807834 -0.1252299), wk = 0.0036101 k( 266) = ( 0.6456439 -0.1698836 -0.1176796), wk = 0.0036101 k( 267) = ( 0.6560471 -0.1589839 -0.1101293), wk = 0.0036101 k( 268) = ( 0.6664502 -0.1480842 -0.1025789), wk = 0.0036101 k( 269) = ( 0.6768534 -0.1371844 -0.0950286), wk = 0.0036101 k( 270) = ( 0.6872565 -0.1262847 -0.0874783), wk = 0.0036101 k( 271) = ( 0.6976596 -0.1153849 -0.0799280), wk = 0.0036101 k( 272) = ( 0.7080628 -0.1044852 -0.0723776), wk = 0.0036101 k( 273) = ( 0.7184659 -0.0935855 -0.0648273), wk = 0.0036101 k( 274) = ( 0.7288691 -0.0826857 -0.0572770), wk = 0.0036101 k( 275) = ( 0.7392722 -0.0717860 -0.0497267), wk = 0.0036101 k( 276) = ( 0.7496753 -0.0608863 -0.0421763), wk = 0.0036101 k( 277) = ( 0.7600785 -0.0499865 -0.0346260), wk = 0.0036101 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 2) = ( 0.0131579 0.0000000 0.0000000), wk = 0.0036101 k( 3) = ( 0.0263158 0.0000000 -0.0000000), wk = 0.0036101 k( 4) = ( 0.0394737 0.0000000 0.0000000), wk = 0.0036101 k( 5) = ( 0.0526316 0.0000000 -0.0000000), wk = 0.0036101 k( 6) = ( 0.0657895 0.0000000 0.0000000), wk = 0.0036101 k( 7) = ( 0.0789474 0.0000000 0.0000000), wk = 0.0036101 k( 8) = ( 0.0921053 0.0000000 0.0000000), wk = 0.0036101 k( 9) = ( 0.1052632 0.0000000 -0.0000000), wk = 0.0036101 k( 10) = ( 0.1184210 0.0000000 0.0000000), wk = 0.0036101 k( 11) = ( 0.1315790 0.0000000 0.0000000), wk = 0.0036101 k( 12) = ( 0.1447368 0.0000000 0.0000000), wk = 0.0036101 k( 13) = ( 0.1578947 0.0000000 0.0000000), wk = 0.0036101 k( 14) = ( 0.1710526 0.0000000 0.0000000), wk = 0.0036101 k( 15) = ( 0.1842105 0.0000000 0.0000000), wk = 0.0036101 k( 16) = ( 0.1973684 -0.0000000 -0.0000000), wk = 0.0036101 k( 17) = ( 0.2105263 0.0000000 -0.0000000), wk = 0.0036101 k( 18) = ( 0.2236842 0.0000000 0.0000000), wk = 0.0036101 k( 19) = ( 0.2368421 0.0000000 0.0000000), wk = 0.0036101 k( 20) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0036101 k( 21) = ( 0.2631579 0.0000000 0.0000000), wk = 0.0036101 k( 22) = ( 0.2763158 0.0000000 0.0000000), wk = 0.0036101 k( 23) = ( 0.2894737 0.0000000 0.0000000), wk = 0.0036101 k( 24) = ( 0.3026316 0.0000000 0.0000000), wk = 0.0036101 k( 25) = ( 0.3157895 0.0000000 0.0000000), wk = 0.0036101 k( 26) = ( 0.3289474 0.0000000 0.0000000), wk = 0.0036101 k( 27) = ( 0.3421053 0.0000000 0.0000000), wk = 0.0036101 k( 28) = ( 0.3552632 0.0000000 0.0000000), wk = 0.0036101 k( 29) = ( 0.3684211 0.0000000 0.0000000), wk = 0.0036101 k( 30) = ( 0.3815789 0.0000000 0.0000000), wk = 0.0036101 k( 31) = ( 0.3947368 -0.0000000 -0.0000000), wk = 0.0036101 k( 32) = ( 0.4078947 0.0000000 -0.0000000), wk = 0.0036101 k( 33) = ( 0.4210526 0.0000000 -0.0000000), wk = 0.0036101 k( 34) = ( 0.4342105 0.0000000 0.0000000), wk = 0.0036101 k( 35) = ( 0.4473684 0.0000000 0.0000000), wk = 0.0036101 k( 36) = ( 0.4605263 0.0000000 0.0000000), wk = 0.0036101 k( 37) = ( 0.4736842 0.0000000 0.0000000), wk = 0.0036101 k( 38) = ( 0.4868421 0.0000000 0.0000000), wk = 0.0036101 k( 39) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0036101 k( 40) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0036101 k( 41) = ( 0.5000000 0.0079974 -0.0079974), wk = 0.0036101 k( 42) = ( 0.5000000 0.0159948 -0.0159948), wk = 0.0036101 k( 43) = ( 0.5000000 0.0239922 -0.0239921), wk = 0.0036101 k( 44) = ( 0.5000000 0.0319895 -0.0319895), wk = 0.0036101 k( 45) = ( 0.5000000 0.0399869 -0.0399869), wk = 0.0036101 k( 46) = ( 0.5000000 0.0479843 -0.0479843), wk = 0.0036101 k( 47) = ( 0.5000000 0.0559817 -0.0559817), wk = 0.0036101 k( 48) = ( 0.5000000 0.0639791 -0.0639791), wk = 0.0036101 k( 49) = ( 0.5000000 0.0719765 -0.0719765), wk = 0.0036101 k( 50) = ( 0.5000000 0.0799738 -0.0799738), wk = 0.0036101 k( 51) = ( 0.5000000 0.0879712 -0.0879712), wk = 0.0036101 k( 52) = ( 0.5000000 0.0959686 -0.0959686), wk = 0.0036101 k( 53) = ( 0.5000000 0.1039660 -0.1039660), wk = 0.0036101 k( 54) = ( 0.5000000 0.1119634 -0.1119634), wk = 0.0036101 k( 55) = ( 0.5000000 0.1199608 -0.1199608), wk = 0.0036101 k( 56) = ( 0.5000000 0.1279582 -0.1279581), wk = 0.0036101 k( 57) = ( 0.5000000 0.1359555 -0.1359555), wk = 0.0036101 k( 58) = ( 0.5000000 0.1439529 -0.1439529), wk = 0.0036101 k( 59) = ( 0.5000000 0.1519503 -0.1519503), wk = 0.0036101 k( 60) = ( 0.5000000 0.1599477 -0.1599477), wk = 0.0036101 k( 61) = ( 0.5000000 0.1679451 -0.1679451), wk = 0.0036101 k( 62) = ( 0.5000000 0.1759425 -0.1759425), wk = 0.0036101 k( 63) = ( 0.5000000 0.1839398 -0.1839398), wk = 0.0036101 k( 64) = ( 0.5000000 0.1919372 -0.1919372), wk = 0.0036101 k( 65) = ( 0.5000000 0.1999346 -0.1999346), wk = 0.0036101 k( 66) = ( 0.5000000 0.2079320 -0.2079320), wk = 0.0036101 k( 67) = ( 0.5000000 0.2159294 -0.2159294), wk = 0.0036101 k( 68) = ( 0.5000000 0.2239268 -0.2239268), wk = 0.0036101 k( 69) = ( 0.5000000 0.2319242 -0.2319241), wk = 0.0036101 k( 70) = ( 0.5000000 0.2399215 -0.2399215), wk = 0.0036101 k( 71) = ( 0.7600785 0.5000000 0.2399215), wk = 0.0036101 k( 72) = ( 0.7521973 0.5000000 0.2478027), wk = 0.0036101 k( 73) = ( 0.7443161 0.5000000 0.2556839), wk = 0.0036101 k( 74) = ( 0.7364350 0.5000000 0.2635650), wk = 0.0036101 k( 75) = ( 0.7285538 0.5000000 0.2714462), wk = 0.0036101 k( 76) = ( 0.7206726 0.5000000 0.2793274), wk = 0.0036101 k( 77) = ( 0.7127915 0.5000000 0.2872085), wk = 0.0036101 k( 78) = ( 0.7049103 0.5000000 0.2950897), wk = 0.0036101 k( 79) = ( 0.6970291 0.5000000 0.3029709), wk = 0.0036101 k( 80) = ( 0.6891480 0.5000000 0.3108520), wk = 0.0036101 k( 81) = ( 0.6812668 0.5000000 0.3187332), wk = 0.0036101 k( 82) = ( 0.6733856 0.5000000 0.3266143), wk = 0.0036101 k( 83) = ( 0.6655045 0.5000000 0.3344955), wk = 0.0036101 k( 84) = ( 0.6576233 0.5000000 0.3423767), wk = 0.0036101 k( 85) = ( 0.6497422 0.5000000 0.3502578), wk = 0.0036101 k( 86) = ( 0.6418610 0.5000000 0.3581390), wk = 0.0036101 k( 87) = ( 0.6339798 0.5000000 0.3660202), wk = 0.0036101 k( 88) = ( 0.6260986 0.5000000 0.3739014), wk = 0.0036101 k( 89) = ( 0.6182175 0.5000000 0.3817825), wk = 0.0036101 k( 90) = ( 0.6103363 0.5000000 0.3896637), wk = 0.0036101 k( 91) = ( 0.6024552 0.5000000 0.3975449), wk = 0.0036101 k( 92) = ( 0.5945740 0.5000000 0.4054260), wk = 0.0036101 k( 93) = ( 0.5866928 0.5000000 0.4133072), wk = 0.0036101 k( 94) = ( 0.5788117 0.5000000 0.4211883), wk = 0.0036101 k( 95) = ( 0.5709305 0.5000000 0.4290695), wk = 0.0036101 k( 96) = ( 0.5630493 0.5000000 0.4369507), wk = 0.0036101 k( 97) = ( 0.5551682 0.5000000 0.4448318), wk = 0.0036101 k( 98) = ( 0.5472870 0.5000000 0.4527130), wk = 0.0036101 k( 99) = ( 0.5394058 0.5000000 0.4605942), wk = 0.0036101 k( 100) = ( 0.5315247 0.5000000 0.4684753), wk = 0.0036101 k( 101) = ( 0.5236435 0.5000000 0.4763565), wk = 0.0036101 k( 102) = ( 0.5157623 0.5000000 0.4842377), wk = 0.0036101 k( 103) = ( 0.5078812 0.5000000 0.4921188), wk = 0.0036101 k( 104) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036101 k( 105) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036101 k( 106) = ( 0.4861111 0.4861111 0.4861111), wk = 0.0036101 k( 107) = ( 0.4722222 0.4722222 0.4722222), wk = 0.0036101 k( 108) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0036101 k( 109) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0036101 k( 110) = ( 0.4305556 0.4305556 0.4305556), wk = 0.0036101 k( 111) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0036101 k( 112) = ( 0.4027778 0.4027778 0.4027778), wk = 0.0036101 k( 113) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0036101 k( 114) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0036101 k( 115) = ( 0.3611111 0.3611111 0.3611111), wk = 0.0036101 k( 116) = ( 0.3472222 0.3472222 0.3472222), wk = 0.0036101 k( 117) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0036101 k( 118) = ( 0.3194444 0.3194444 0.3194444), wk = 0.0036101 k( 119) = ( 0.3055556 0.3055556 0.3055556), wk = 0.0036101 k( 120) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0036101 k( 121) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0036101 k( 122) = ( 0.2638889 0.2638889 0.2638889), wk = 0.0036101 k( 123) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036101 k( 124) = ( 0.2361111 0.2361111 0.2361111), wk = 0.0036101 k( 125) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0036101 k( 126) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0036101 k( 127) = ( 0.1944444 0.1944444 0.1944444), wk = 0.0036101 k( 128) = ( 0.1805556 0.1805556 0.1805556), wk = 0.0036101 k( 129) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0036101 k( 130) = ( 0.1527778 0.1527778 0.1527778), wk = 0.0036101 k( 131) = ( 0.1388889 0.1388889 0.1388889), wk = 0.0036101 k( 132) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0036101 k( 133) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0036101 k( 134) = ( 0.0972222 0.0972222 0.0972222), wk = 0.0036101 k( 135) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0036101 k( 136) = ( 0.0694444 0.0694444 0.0694444), wk = 0.0036101 k( 137) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0036101 k( 138) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0036101 k( 139) = ( 0.0277778 0.0277778 0.0277778), wk = 0.0036101 k( 140) = ( 0.0138889 0.0138889 0.0138889), wk = 0.0036101 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 143) = ( 0.0080426 0.0000000 -0.0080426), wk = 0.0036101 k( 144) = ( 0.0160852 0.0000000 -0.0160852), wk = 0.0036101 k( 145) = ( 0.0241279 0.0000000 -0.0241279), wk = 0.0036101 k( 146) = ( 0.0321705 0.0000000 -0.0321705), wk = 0.0036101 k( 147) = ( 0.0402131 -0.0000000 -0.0402131), wk = 0.0036101 k( 148) = ( 0.0482558 0.0000000 -0.0482557), wk = 0.0036101 k( 149) = ( 0.0562984 0.0000000 -0.0562984), wk = 0.0036101 k( 150) = ( 0.0643410 0.0000000 -0.0643410), wk = 0.0036101 k( 151) = ( 0.0723836 0.0000000 -0.0723836), wk = 0.0036101 k( 152) = ( 0.0804263 0.0000000 -0.0804263), wk = 0.0036101 k( 153) = ( 0.0884689 0.0000000 -0.0884689), wk = 0.0036101 k( 154) = ( 0.0965115 0.0000000 -0.0965115), wk = 0.0036101 k( 155) = ( 0.1045541 0.0000000 -0.1045541), wk = 0.0036101 k( 156) = ( 0.1125967 0.0000000 -0.1125967), wk = 0.0036101 k( 157) = ( 0.1206394 0.0000000 -0.1206394), wk = 0.0036101 k( 158) = ( 0.1286820 0.0000000 -0.1286820), wk = 0.0036101 k( 159) = ( 0.1367246 0.0000000 -0.1367246), wk = 0.0036101 k( 160) = ( 0.1447673 0.0000000 -0.1447673), wk = 0.0036101 k( 161) = ( 0.1528099 0.0000000 -0.1528099), wk = 0.0036101 k( 162) = ( 0.1608525 0.0000000 -0.1608525), wk = 0.0036101 k( 163) = ( 0.1688951 0.0000000 -0.1688951), wk = 0.0036101 k( 164) = ( 0.1769378 0.0000000 -0.1769378), wk = 0.0036101 k( 165) = ( 0.1849804 0.0000000 -0.1849804), wk = 0.0036101 k( 166) = ( 0.1930230 0.0000000 -0.1930230), wk = 0.0036101 k( 167) = ( 0.2010656 0.0000000 -0.2010656), wk = 0.0036101 k( 168) = ( 0.2091083 0.0000000 -0.2091083), wk = 0.0036101 k( 169) = ( 0.2171509 -0.0000000 -0.2171509), wk = 0.0036101 k( 170) = ( 0.2251935 0.0000000 -0.2251935), wk = 0.0036101 k( 171) = ( 0.2332361 0.0000000 -0.2332361), wk = 0.0036101 k( 172) = ( 0.2412788 0.0000000 -0.2412788), wk = 0.0036101 k( 173) = ( 0.2493214 0.0000000 -0.2493214), wk = 0.0036101 k( 174) = ( 0.2573640 0.0000000 -0.2573640), wk = 0.0036101 k( 175) = ( 0.2654066 0.0000000 -0.2654066), wk = 0.0036101 k( 176) = ( 0.2734493 0.0000000 -0.2734493), wk = 0.0036101 k( 177) = ( 0.2814919 0.0000000 -0.2814919), wk = 0.0036101 k( 178) = ( 0.2895345 0.0000000 -0.2895345), wk = 0.0036101 k( 179) = ( 0.2975771 0.0000000 -0.2975771), wk = 0.0036101 k( 180) = ( 0.3056198 0.0000000 -0.3056198), wk = 0.0036101 k( 181) = ( 0.3136624 0.0000000 -0.3136624), wk = 0.0036101 k( 182) = ( 0.3217050 0.0000000 -0.3217050), wk = 0.0036101 k( 183) = ( 0.3297476 0.0000000 -0.3297476), wk = 0.0036101 k( 184) = ( 0.3377903 0.0000000 -0.3377903), wk = 0.0036101 k( 185) = ( 0.3458329 0.0000000 -0.3458329), wk = 0.0036101 k( 186) = ( 0.3538755 0.0000000 -0.3538755), wk = 0.0036101 k( 187) = ( 0.3619181 0.0000000 -0.3619181), wk = 0.0036101 k( 188) = ( 0.3699608 0.0000000 -0.3699608), wk = 0.0036101 k( 189) = ( 0.6300392 0.3699608 0.0000000), wk = 0.0036101 k( 190) = ( 0.6223899 0.3776101 0.0000000), wk = 0.0036101 k( 191) = ( 0.6147405 0.3852595 0.0000000), wk = 0.0036101 k( 192) = ( 0.6070911 0.3929089 0.0000000), wk = 0.0036101 k( 193) = ( 0.5994418 0.4005582 0.0000000), wk = 0.0036101 k( 194) = ( 0.5917924 0.4082076 -0.0000000), wk = 0.0036101 k( 195) = ( 0.5841430 0.4158570 0.0000000), wk = 0.0036101 k( 196) = ( 0.5764937 0.4235063 0.0000000), wk = 0.0036101 k( 197) = ( 0.5688443 0.4311557 0.0000000), wk = 0.0036101 k( 198) = ( 0.5611949 0.4388051 0.0000000), wk = 0.0036101 k( 199) = ( 0.5535456 0.4464544 0.0000000), wk = 0.0036101 k( 200) = ( 0.5458962 0.4541038 0.0000000), wk = 0.0036101 k( 201) = ( 0.5382468 0.4617532 0.0000000), wk = 0.0036101 k( 202) = ( 0.5305975 0.4694025 0.0000000), wk = 0.0036101 k( 203) = ( 0.5229481 0.4770519 0.0000000), wk = 0.0036101 k( 204) = ( 0.5152987 0.4847013 0.0000000), wk = 0.0036101 k( 205) = ( 0.5076494 0.4923506 -0.0000000), wk = 0.0036101 k( 206) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0036101 k( 207) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0036101 k( 208) = ( 0.5086693 0.5086693 0.0159948), wk = 0.0036101 k( 209) = ( 0.5173386 0.5173386 0.0319895), wk = 0.0036101 k( 210) = ( 0.5260079 0.5260079 0.0479843), wk = 0.0036101 k( 211) = ( 0.5346771 0.5346771 0.0639791), wk = 0.0036101 k( 212) = ( 0.5433464 0.5433464 0.0799738), wk = 0.0036101 k( 213) = ( 0.5520157 0.5520157 0.0959686), wk = 0.0036101 k( 214) = ( 0.5606850 0.5606850 0.1119634), wk = 0.0036101 k( 215) = ( 0.5693543 0.5693543 0.1279581), wk = 0.0036101 k( 216) = ( 0.5780235 0.5780235 0.1439529), wk = 0.0036101 k( 217) = ( 0.5866928 0.5866928 0.1599477), wk = 0.0036101 k( 218) = ( 0.5953621 0.5953621 0.1759425), wk = 0.0036101 k( 219) = ( 0.6040314 0.6040314 0.1919372), wk = 0.0036101 k( 220) = ( 0.6127007 0.6127007 0.2079320), wk = 0.0036101 k( 221) = ( 0.6213699 0.6213700 0.2239268), wk = 0.0036101 k( 222) = ( 0.6300392 0.6300392 0.2399215), wk = 0.0036101 k( 223) = ( 0.6300392 0.6300392 0.2399215), wk = 0.0036101 k( 224) = ( 0.6253950 0.6253950 0.2492101), wk = 0.0036101 k( 225) = ( 0.6207507 0.6207507 0.2584986), wk = 0.0036101 k( 226) = ( 0.6161065 0.6161065 0.2677871), wk = 0.0036101 k( 227) = ( 0.6114622 0.6114622 0.2770756), wk = 0.0036101 k( 228) = ( 0.6068179 0.6068179 0.2863641), wk = 0.0036101 k( 229) = ( 0.6021737 0.6021737 0.2956526), wk = 0.0036101 k( 230) = ( 0.5975294 0.5975294 0.3049412), wk = 0.0036101 k( 231) = ( 0.5928852 0.5928852 0.3142297), wk = 0.0036101 k( 232) = ( 0.5882409 0.5882409 0.3235182), wk = 0.0036101 k( 233) = ( 0.5835967 0.5835967 0.3328067), wk = 0.0036101 k( 234) = ( 0.5789524 0.5789524 0.3420952), wk = 0.0036101 k( 235) = ( 0.5743081 0.5743081 0.3513837), wk = 0.0036101 k( 236) = ( 0.5696639 0.5696639 0.3606723), wk = 0.0036101 k( 237) = ( 0.5650196 0.5650196 0.3699608), wk = 0.0036101 k( 238) = ( 0.5603754 0.5603754 0.3792493), wk = 0.0036101 k( 239) = ( 0.5557311 0.5557311 0.3885378), wk = 0.0036101 k( 240) = ( 0.5510868 0.5510868 0.3978263), wk = 0.0036101 k( 241) = ( 0.5464426 0.5464426 0.4071148), wk = 0.0036101 k( 242) = ( 0.5417983 0.5417983 0.4164034), wk = 0.0036101 k( 243) = ( 0.5371541 0.5371541 0.4256919), wk = 0.0036101 k( 244) = ( 0.5325098 0.5325098 0.4349804), wk = 0.0036101 k( 245) = ( 0.5278656 0.5278656 0.4442689), wk = 0.0036101 k( 246) = ( 0.5232213 0.5232213 0.4535574), wk = 0.0036101 k( 247) = ( 0.5185770 0.5185770 0.4628459), wk = 0.0036101 k( 248) = ( 0.5139328 0.5139328 0.4721344), wk = 0.0036101 k( 249) = ( 0.5092885 0.5092885 0.4814230), wk = 0.0036101 k( 250) = ( 0.5046443 0.5046443 0.4907115), wk = 0.0036101 k( 251) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036101 k( 252) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0036101 k( 253) = ( 0.5104031 0.0147984 0.0147984), wk = 0.0036101 k( 254) = ( 0.5208063 0.0295969 0.0295969), wk = 0.0036101 k( 255) = ( 0.5312094 0.0443953 0.0443953), wk = 0.0036101 k( 256) = ( 0.5416126 0.0591937 0.0591937), wk = 0.0036101 k( 257) = ( 0.5520157 0.0739922 0.0739921), wk = 0.0036101 k( 258) = ( 0.5624188 0.0887906 0.0887906), wk = 0.0036101 k( 259) = ( 0.5728220 0.1035890 0.1035890), wk = 0.0036101 k( 260) = ( 0.5832251 0.1183874 0.1183874), wk = 0.0036101 k( 261) = ( 0.5936282 0.1331859 0.1331859), wk = 0.0036101 k( 262) = ( 0.6040314 0.1479843 0.1479843), wk = 0.0036101 k( 263) = ( 0.6144345 0.1627827 0.1627827), wk = 0.0036101 k( 264) = ( 0.6248377 0.1775812 0.1775812), wk = 0.0036101 k( 265) = ( 0.6352408 0.1923796 0.1923796), wk = 0.0036101 k( 266) = ( 0.6456439 0.2071780 0.2071780), wk = 0.0036101 k( 267) = ( 0.6560471 0.2219765 0.2219765), wk = 0.0036101 k( 268) = ( 0.6664502 0.2367749 0.2367749), wk = 0.0036101 k( 269) = ( 0.6768534 0.2515733 0.2515733), wk = 0.0036101 k( 270) = ( 0.6872565 0.2663718 0.2663718), wk = 0.0036101 k( 271) = ( 0.6976596 0.2811702 0.2811702), wk = 0.0036101 k( 272) = ( 0.7080628 0.2959686 0.2959686), wk = 0.0036101 k( 273) = ( 0.7184659 0.3107670 0.3107670), wk = 0.0036101 k( 274) = ( 0.7288691 0.3255655 0.3255655), wk = 0.0036101 k( 275) = ( 0.7392722 0.3403639 0.3403639), wk = 0.0036101 k( 276) = ( 0.7496753 0.3551623 0.3551623), wk = 0.0036101 k( 277) = ( 0.7600785 0.3699608 0.3699608), wk = 0.0036101 Dense grid: 66499 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 29305 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 152, 82) NL pseudopotentials 0.21 Mb ( 76, 180) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1387) G-vector shells 0.01 Mb ( 1174) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.76 Mb ( 152, 328) Each subspace H/S matrix 1.64 Mb ( 328, 328) Each matrix 0.45 Mb ( 180, 2, 82) The potential is recalculated from file : ./ZnGeO3.save/charge-density.dat Starting wfc are 100 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 44.4 secs Computing kpt #: 2 total cpu time spent up to now is 48.1 secs Computing kpt #: 3 total cpu time spent up to now is 52.2 secs Computing kpt #: 4 total cpu time spent up to now is 56.0 secs Computing kpt #: 5 total cpu time spent up to now is 59.7 secs Computing kpt #: 6 total cpu time spent up to now is 63.4 secs Computing kpt #: 7 total cpu time spent up to now is 67.4 secs Computing kpt #: 8 total cpu time spent up to now is 71.0 secs Computing kpt #: 9 total cpu time spent up to now is 74.8 secs Computing kpt #: 10 total cpu time spent up to now is 78.6 secs Computing kpt #: 11 total cpu time spent up to now is 82.5 secs Computing kpt #: 12 total cpu time spent up to now is 86.4 secs Computing kpt #: 13 total cpu time spent up to now is 90.4 secs Computing kpt #: 14 total cpu time spent up to now is 94.3 secs Computing kpt #: 15 total cpu time spent up to now is 98.6 secs Computing kpt #: 16 total cpu time spent up to now is 104.3 secs Computing kpt #: 17 total cpu time spent up to now is 111.2 secs Computing kpt #: 18 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 120.6 secs Computing kpt #: 19 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 130.3 secs Computing kpt #: 20 total cpu time spent up to now is 138.9 secs Computing kpt #: 21 total cpu time spent up to now is 148.1 secs Computing kpt #: 22 total cpu time spent up to now is 157.3 secs Computing kpt #: 23 total cpu time spent up to now is 163.5 secs Computing kpt #: 24 total cpu time spent up to now is 169.9 secs Computing kpt #: 25 total cpu time spent up to now is 177.4 secs Computing kpt #: 26 total cpu time spent up to now is 187.1 secs Computing kpt #: 27 total cpu time spent up to now is 195.1 secs Computing kpt #: 28 total cpu time spent up to now is 202.9 secs Computing kpt #: 29 total cpu time spent up to now is 211.0 secs Computing kpt #: 30 total cpu time spent up to now is 219.1 secs Computing kpt #: 31 total cpu time spent up to now is 228.4 secs Computing kpt #: 32 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 237.8 secs Computing kpt #: 33 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 247.2 secs Computing kpt #: 34 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 256.7 secs Computing kpt #: 35 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 266.1 secs Computing kpt #: 36 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 275.5 secs Computing kpt #: 37 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 284.9 secs Computing kpt #: 38 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 294.5 secs Computing kpt #: 39 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 303.5 secs Computing kpt #: 40 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 312.6 secs Computing kpt #: 41 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 322.0 secs Computing kpt #: 42 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 331.5 secs Computing kpt #: 43 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 340.8 secs Computing kpt #: 44 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 350.1 secs Computing kpt #: 45 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 359.3 secs Computing kpt #: 46 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 368.5 secs Computing kpt #: 47 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 377.8 secs Computing kpt #: 48 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 387.0 secs Computing kpt #: 49 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 396.4 secs Computing kpt #: 50 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 405.7 secs Computing kpt #: 51 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 414.9 secs Computing kpt #: 52 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 424.1 secs Computing kpt #: 53 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 433.3 secs Computing kpt #: 54 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 442.5 secs Computing kpt #: 55 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 451.8 secs Computing kpt #: 56 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 461.1 secs Computing kpt #: 57 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 470.5 secs Computing kpt #: 58 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 480.9 secs Computing kpt #: 59 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 491.4 secs Computing kpt #: 60 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 500.8 secs Computing kpt #: 61 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 510.4 secs Computing kpt #: 62 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 519.7 secs Computing kpt #: 63 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 529.2 secs Computing kpt #: 64 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 538.6 secs Computing kpt #: 65 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 547.7 secs Computing kpt #: 66 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 558.9 secs Computing kpt #: 67 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 567.9 secs Computing kpt #: 68 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 577.0 secs Computing kpt #: 69 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 586.1 secs Computing kpt #: 70 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 595.1 secs Computing kpt #: 71 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 604.7 secs Computing kpt #: 72 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 613.7 secs Computing kpt #: 73 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 622.8 secs Computing kpt #: 74 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 631.8 secs Computing kpt #: 75 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 640.9 secs Computing kpt #: 76 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 650.1 secs Computing kpt #: 77 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 659.2 secs Computing kpt #: 78 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 668.4 secs Computing kpt #: 79 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 677.6 secs Computing kpt #: 80 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 686.7 secs Computing kpt #: 81 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 696.1 secs Computing kpt #: 82 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 705.3 secs Computing kpt #: 83 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 714.3 secs Computing kpt #: 84 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 723.8 secs Computing kpt #: 85 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 733.0 secs Computing kpt #: 86 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 742.0 secs Computing kpt #: 87 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 751.1 secs Computing kpt #: 88 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 760.3 secs Computing kpt #: 89 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 769.4 secs Computing kpt #: 90 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 779.7 secs Computing kpt #: 91 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 789.6 secs Computing kpt #: 92 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 798.7 secs Computing kpt #: 93 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 808.2 secs Computing kpt #: 94 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 817.4 secs Computing kpt #: 95 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 827.0 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 836.4 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 846.1 secs Computing kpt #: 98 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 855.1 secs Computing kpt #: 99 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 864.6 secs Computing kpt #: 100 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 874.3 secs Computing kpt #: 101 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 883.4 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 894.1 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 903.9 secs Computing kpt #: 104 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 913.1 secs Computing kpt #: 105 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 922.0 secs Computing kpt #: 106 total cpu time spent up to now is 927.7 secs Computing kpt #: 107 total cpu time spent up to now is 932.9 secs Computing kpt #: 108 total cpu time spent up to now is 937.2 secs Computing kpt #: 109 total cpu time spent up to now is 942.3 secs Computing kpt #: 110 total cpu time spent up to now is 948.1 secs Computing kpt #: 111 total cpu time spent up to now is 954.4 secs Computing kpt #: 112 total cpu time spent up to now is 963.5 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 973.0 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 982.2 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 992.0 secs Computing kpt #: 116 total cpu time spent up to now is 999.7 secs Computing kpt #: 117 total cpu time spent up to now is 1006.5 secs Computing kpt #: 118 total cpu time spent up to now is 1013.1 secs Computing kpt #: 119 total cpu time spent up to now is 1019.4 secs Computing kpt #: 120 total cpu time spent up to now is 1025.4 secs Computing kpt #: 121 total cpu time spent up to now is 1029.9 secs Computing kpt #: 122 total cpu time spent up to now is 1034.6 secs Computing kpt #: 123 total cpu time spent up to now is 1039.0 secs Computing kpt #: 124 total cpu time spent up to now is 1043.3 secs Computing kpt #: 125 total cpu time spent up to now is 1047.6 secs Computing kpt #: 126 total cpu time spent up to now is 1051.9 secs Computing kpt #: 127 total cpu time spent up to now is 1055.8 secs Computing kpt #: 128 total cpu time spent up to now is 1059.8 secs Computing kpt #: 129 total cpu time spent up to now is 1064.0 secs Computing kpt #: 130 total cpu time spent up to now is 1067.9 secs Computing kpt #: 131 total cpu time spent up to now is 1071.8 secs Computing kpt #: 132 total cpu time spent up to now is 1076.0 secs Computing kpt #: 133 total cpu time spent up to now is 1081.2 secs Computing kpt #: 134 total cpu time spent up to now is 1085.3 secs Computing kpt #: 135 total cpu time spent up to now is 1089.1 secs Computing kpt #: 136 total cpu time spent up to now is 1092.8 secs Computing kpt #: 137 total cpu time spent up to now is 1096.9 secs Computing kpt #: 138 total cpu time spent up to now is 1100.5 secs Computing kpt #: 139 total cpu time spent up to now is 1104.3 secs Computing kpt #: 140 total cpu time spent up to now is 1108.0 secs Computing kpt #: 141 total cpu time spent up to now is 1111.5 secs Computing kpt #: 142 total cpu time spent up to now is 1115.6 secs Computing kpt #: 143 total cpu time spent up to now is 1119.2 secs Computing kpt #: 144 total cpu time spent up to now is 1123.0 secs Computing kpt #: 145 total cpu time spent up to now is 1126.6 secs Computing kpt #: 146 total cpu time spent up to now is 1130.3 secs Computing kpt #: 147 total cpu time spent up to now is 1134.1 secs Computing kpt #: 148 total cpu time spent up to now is 1137.7 secs Computing kpt #: 149 total cpu time spent up to now is 1141.4 secs Computing kpt #: 150 total cpu time spent up to now is 1145.3 secs Computing kpt #: 151 total cpu time spent up to now is 1149.2 secs Computing kpt #: 152 total cpu time spent up to now is 1152.9 secs Computing kpt #: 153 total cpu time spent up to now is 1156.7 secs Computing kpt #: 154 total cpu time spent up to now is 1160.7 secs Computing kpt #: 155 total cpu time spent up to now is 1164.8 secs Computing kpt #: 156 total cpu time spent up to now is 1169.3 secs Computing kpt #: 157 total cpu time spent up to now is 1173.8 secs Computing kpt #: 158 total cpu time spent up to now is 1178.2 secs Computing kpt #: 159 total cpu time spent up to now is 1183.5 secs Computing kpt #: 160 total cpu time spent up to now is 1189.7 secs Computing kpt #: 161 total cpu time spent up to now is 1194.8 secs Computing kpt #: 162 total cpu time spent up to now is 1200.1 secs Computing kpt #: 163 total cpu time spent up to now is 1204.7 secs Computing kpt #: 164 total cpu time spent up to now is 1209.9 secs Computing kpt #: 165 total cpu time spent up to now is 1214.5 secs Computing kpt #: 166 total cpu time spent up to now is 1219.6 secs Computing kpt #: 167 total cpu time spent up to now is 1225.4 secs Computing kpt #: 168 total cpu time spent up to now is 1231.0 secs Computing kpt #: 169 total cpu time spent up to now is 1236.9 secs Computing kpt #: 170 total cpu time spent up to now is 1242.7 secs Computing kpt #: 171 total cpu time spent up to now is 1248.7 secs Computing kpt #: 172 total cpu time spent up to now is 1254.8 secs Computing kpt #: 173 total cpu time spent up to now is 1260.4 secs Computing kpt #: 174 total cpu time spent up to now is 1266.3 secs Computing kpt #: 175 total cpu time spent up to now is 1271.7 secs Computing kpt #: 176 total cpu time spent up to now is 1277.0 secs Computing kpt #: 177 total cpu time spent up to now is 1282.6 secs Computing kpt #: 178 total cpu time spent up to now is 1287.9 secs Computing kpt #: 179 total cpu time spent up to now is 1293.8 secs Computing kpt #: 180 total cpu time spent up to now is 1299.0 secs Computing kpt #: 181 total cpu time spent up to now is 1304.1 secs Computing kpt #: 182 total cpu time spent up to now is 1309.1 secs Computing kpt #: 183 total cpu time spent up to now is 1314.4 secs Computing kpt #: 184 total cpu time spent up to now is 1319.5 secs Computing kpt #: 185 total cpu time spent up to now is 1324.3 secs Computing kpt #: 186 total cpu time spent up to now is 1329.3 secs Computing kpt #: 187 total cpu time spent up to now is 1334.4 secs Computing kpt #: 188 total cpu time spent up to now is 1339.4 secs Computing kpt #: 189 total cpu time spent up to now is 1343.8 secs Computing kpt #: 190 total cpu time spent up to now is 1349.0 secs Computing kpt #: 191 total cpu time spent up to now is 1354.2 secs Computing kpt #: 192 total cpu time spent up to now is 1359.2 secs Computing kpt #: 193 total cpu time spent up to now is 1363.6 secs Computing kpt #: 194 total cpu time spent up to now is 1368.0 secs Computing kpt #: 195 total cpu time spent up to now is 1373.0 secs Computing kpt #: 196 total cpu time spent up to now is 1378.3 secs Computing kpt #: 197 total cpu time spent up to now is 1384.2 secs Computing kpt #: 198 total cpu time spent up to now is 1388.8 secs Computing kpt #: 199 total cpu time spent up to now is 1393.8 secs Computing kpt #: 200 total cpu time spent up to now is 1398.9 secs Computing kpt #: 201 total cpu time spent up to now is 1403.9 secs Computing kpt #: 202 total cpu time spent up to now is 1408.2 secs Computing kpt #: 203 total cpu time spent up to now is 1413.0 secs Computing kpt #: 204 total cpu time spent up to now is 1418.0 secs Computing kpt #: 205 total cpu time spent up to now is 1423.9 secs Computing kpt #: 206 total cpu time spent up to now is 1428.4 secs Computing kpt #: 207 total cpu time spent up to now is 1433.2 secs Computing kpt #: 208 total cpu time spent up to now is 1438.0 secs Computing kpt #: 209 total cpu time spent up to now is 1442.5 secs Computing kpt #: 210 total cpu time spent up to now is 1448.0 secs Computing kpt #: 211 total cpu time spent up to now is 1452.8 secs Computing kpt #: 212 total cpu time spent up to now is 1457.9 secs Computing kpt #: 213 total cpu time spent up to now is 1462.9 secs Computing kpt #: 214 total cpu time spent up to now is 1468.2 secs Computing kpt #: 215 total cpu time spent up to now is 1473.6 secs Computing kpt #: 216 total cpu time spent up to now is 1478.6 secs Computing kpt #: 217 total cpu time spent up to now is 1483.8 secs Computing kpt #: 218 total cpu time spent up to now is 1489.0 secs Computing kpt #: 219 total cpu time spent up to now is 1494.1 secs Computing kpt #: 220 total cpu time spent up to now is 1499.5 secs Computing kpt #: 221 total cpu time spent up to now is 1504.6 secs Computing kpt #: 222 total cpu time spent up to now is 1509.6 secs Computing kpt #: 223 total cpu time spent up to now is 1514.8 secs Computing kpt #: 224 total cpu time spent up to now is 1519.8 secs Computing kpt #: 225 total cpu time spent up to now is 1524.7 secs Computing kpt #: 226 total cpu time spent up to now is 1530.1 secs Computing kpt #: 227 total cpu time spent up to now is 1535.2 secs Computing kpt #: 228 total cpu time spent up to now is 1540.1 secs Computing kpt #: 229 total cpu time spent up to now is 1545.1 secs Computing kpt #: 230 total cpu time spent up to now is 1550.0 secs Computing kpt #: 231 total cpu time spent up to now is 1554.9 secs Computing kpt #: 232 total cpu time spent up to now is 1559.8 secs Computing kpt #: 233 total cpu time spent up to now is 1564.6 secs Computing kpt #: 234 total cpu time spent up to now is 1569.8 secs Computing kpt #: 235 total cpu time spent up to now is 1574.9 secs Computing kpt #: 236 total cpu time spent up to now is 1580.1 secs Computing kpt #: 237 total cpu time spent up to now is 1585.5 secs Computing kpt #: 238 total cpu time spent up to now is 1590.5 secs Computing kpt #: 239 total cpu time spent up to now is 1596.1 secs Computing kpt #: 240 total cpu time spent up to now is 1602.1 secs Computing kpt #: 241 total cpu time spent up to now is 1608.3 secs Computing kpt #: 242 total cpu time spent up to now is 1614.2 secs Computing kpt #: 243 total cpu time spent up to now is 1621.1 secs Computing kpt #: 244 total cpu time spent up to now is 1627.9 secs Computing kpt #: 245 total cpu time spent up to now is 1636.1 secs Computing kpt #: 246 total cpu time spent up to now is 1644.4 secs Computing kpt #: 247 total cpu time spent up to now is 1652.7 secs Computing kpt #: 248 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1662.2 secs Computing kpt #: 249 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1671.8 secs Computing kpt #: 250 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1681.9 secs Computing kpt #: 251 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1690.8 secs Computing kpt #: 252 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1699.8 secs Computing kpt #: 253 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1709.2 secs Computing kpt #: 254 total cpu time spent up to now is 1718.7 secs Computing kpt #: 255 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1728.0 secs Computing kpt #: 256 total cpu time spent up to now is 1735.3 secs Computing kpt #: 257 total cpu time spent up to now is 1742.7 secs Computing kpt #: 258 total cpu time spent up to now is 1748.9 secs Computing kpt #: 259 total cpu time spent up to now is 1755.8 secs Computing kpt #: 260 total cpu time spent up to now is 1761.7 secs Computing kpt #: 261 total cpu time spent up to now is 1767.4 secs Computing kpt #: 262 total cpu time spent up to now is 1772.8 secs Computing kpt #: 263 total cpu time spent up to now is 1779.8 secs Computing kpt #: 264 total cpu time spent up to now is 1787.8 secs Computing kpt #: 265 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1797.0 secs Computing kpt #: 266 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1806.3 secs Computing kpt #: 267 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1815.8 secs Computing kpt #: 268 total cpu time spent up to now is 1823.6 secs Computing kpt #: 269 total cpu time spent up to now is 1830.0 secs Computing kpt #: 270 total cpu time spent up to now is 1837.1 secs Computing kpt #: 271 total cpu time spent up to now is 1842.7 secs Computing kpt #: 272 total cpu time spent up to now is 1848.1 secs Computing kpt #: 273 total cpu time spent up to now is 1853.6 secs Computing kpt #: 274 total cpu time spent up to now is 1858.8 secs Computing kpt #: 275 total cpu time spent up to now is 1864.3 secs Computing kpt #: 276 total cpu time spent up to now is 1869.6 secs Computing kpt #: 277 total cpu time spent up to now is 1874.8 secs ethr = 1.47E-11, avg # of iterations = 70.8 total cpu time spent up to now is 1875.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3667 PWs) bands (ev): -11.7458 -11.7458 -9.8424 -9.8424 -9.4148 -9.4148 -9.4016 -9.4016 -8.9597 -8.9597 -8.9515 -8.9515 -1.7457 -1.7457 1.4004 1.4004 1.4463 1.4463 1.4646 1.4646 2.5113 2.5113 2.5209 2.5209 2.8768 2.8768 3.0266 3.0266 3.0571 3.0571 3.2008 3.2008 3.2235 3.2235 3.2732 3.2732 3.3222 3.3222 3.4919 3.4919 3.5891 3.5891 4.1079 4.1079 4.4306 4.4306 4.8135 4.8135 4.8403 4.8403 5.8146 5.8146 5.8375 5.8375 7.1627 7.1627 7.1941 7.1941 7.5489 7.5489 7.5534 7.5534 7.5932 7.5932 8.0947 8.0947 8.0957 8.0957 8.7666 8.7666 11.7485 11.7485 14.2889 14.2889 15.5902 15.5902 15.7433 15.7433 15.7850 15.7850 17.3359 17.3359 k = 0.0132-0.0085-0.0059 ( 3672 PWs) bands (ev): -11.7451 -11.7450 -9.8437 -9.8428 -9.4151 -9.4142 -9.4015 -9.4015 -8.9602 -8.9599 -8.9518 -8.9518 -1.7445 -1.7445 1.3572 1.3933 1.4297 1.4522 1.4857 1.5026 2.5104 2.5122 2.5200 2.5232 2.8746 2.8747 3.0127 3.0298 3.0448 3.0717 3.1852 3.1885 3.2158 3.2311 3.2691 3.2821 3.3344 3.3474 3.4794 3.5065 3.5887 3.5915 4.1061 4.1110 4.4216 4.4361 4.8100 4.8217 4.8429 4.8446 5.8127 5.8131 5.8362 5.8362 7.1597 7.1604 7.1910 7.1921 7.5436 7.5476 7.5512 7.5523 7.5921 7.5959 8.0930 8.0933 8.0941 8.0948 8.7730 8.7760 11.7472 11.7498 14.2838 14.2878 15.5787 15.5973 15.7243 15.7430 15.8027 15.8054 17.3341 17.3369 k = 0.0263-0.0170-0.0118 ( 3672 PWs) bands (ev): -11.7429 -11.7428 -9.8469 -9.8450 -9.4151 -9.4134 -9.4012 -9.4011 -8.9613 -8.9608 -8.9528 -8.9528 -1.7411 -1.7410 1.3074 1.3405 1.4370 1.4505 1.5265 1.5526 2.5098 2.5133 2.5204 2.5268 2.8677 2.8687 2.9926 3.0112 3.0448 3.0829 3.1585 3.1629 3.2109 3.2384 3.2742 3.2869 3.3740 3.3910 3.4698 3.5227 3.5904 3.5966 4.1055 4.1154 4.4103 4.4379 4.8127 4.8306 4.8515 4.8589 5.8067 5.8082 5.8326 5.8332 7.1509 7.1521 7.1835 7.1854 7.5301 7.5342 7.5506 7.5516 7.5941 7.5990 8.0885 8.0890 8.0897 8.0912 8.7945 8.8002 11.7457 11.7509 14.2730 14.2808 15.5619 15.5971 15.7107 15.7447 15.8367 15.8433 17.3316 17.3373 k = 0.0395-0.0255-0.0176 ( 3663 PWs) bands (ev): -11.7393 -11.7391 -9.8518 -9.8490 -9.4149 -9.4124 -9.4006 -9.4005 -8.9632 -8.9624 -8.9544 -8.9543 -1.7353 -1.7352 1.2556 1.2861 1.4398 1.4499 1.5719 1.6017 2.5096 2.5147 2.5219 2.5317 2.8560 2.8589 2.9662 2.9832 3.0440 3.0881 3.1370 3.1434 3.2075 3.2465 3.2822 3.2943 3.4198 3.4363 3.4684 3.5403 3.5945 3.6056 4.1065 4.1212 4.3977 4.4360 4.8206 4.8394 4.8668 4.8831 5.7954 5.7987 5.8278 5.8296 7.1348 7.1357 7.1736 7.1757 7.5092 7.5118 7.5504 7.5511 7.5987 7.6026 8.0816 8.0819 8.0829 8.0853 8.8295 8.8375 11.7441 11.7518 14.2570 14.2683 15.5398 15.5844 15.7172 15.7607 15.8768 15.8856 17.3285 17.3371 k = 0.0526-0.0339-0.0235 ( 3666 PWs) bands (ev): -11.7343 -11.7339 -9.8584 -9.8548 -9.4145 -9.4114 -9.3999 -9.3995 -8.9658 -8.9648 -8.9565 -8.9563 -1.7273 -1.7271 1.2026 1.2309 1.4412 1.4500 1.6173 1.6489 2.5096 2.5164 2.5244 2.5375 2.8391 2.8452 2.9344 2.9493 3.0405 3.0851 3.1246 3.1371 3.2050 3.2545 3.2917 3.3054 3.4493 3.4638 3.5035 3.5585 3.6020 3.6208 4.1090 4.1284 4.3848 4.4310 4.8323 4.8497 4.8896 4.9141 5.7786 5.7837 5.8228 5.8261 7.1102 7.1102 7.1624 7.1643 7.4826 7.4836 7.5500 7.5505 7.6046 7.6071 8.0722 8.0724 8.0742 8.0778 8.8758 8.8857 11.7421 11.7524 14.2366 14.2510 15.5147 15.5624 15.7425 15.7902 15.9200 15.9297 17.3250 17.3364 k = 0.0658-0.0424-0.0294 ( 3673 PWs) bands (ev): -11.7277 -11.7273 -9.8667 -9.8624 -9.4138 -9.4104 -9.3989 -9.3980 -8.9692 -8.9681 -8.9590 -8.9587 -1.7169 -1.7167 1.1490 1.1753 1.4422 1.4504 1.6615 1.6942 2.5100 2.5184 2.5277 2.5442 2.8171 2.8277 2.8996 2.9125 3.0364 3.0781 3.1187 3.1397 3.2030 3.2622 3.3019 3.3198 3.4499 3.5013 3.5493 3.5764 3.6177 3.6454 4.1135 4.1375 4.3724 4.4241 4.8467 4.8626 4.9196 4.9503 5.7564 5.7633 5.8177 5.8223 7.0758 7.0772 7.1499 7.1513 7.4520 7.4522 7.5494 7.5497 7.6114 7.6123 8.0601 8.0605 8.0647 8.0691 8.9308 8.9424 11.7395 11.7523 14.2127 14.2298 15.4890 15.5374 15.7806 15.8307 15.9650 15.9744 17.3212 17.3356 k = 0.0789-0.0509-0.0353 ( 3677 PWs) bands (ev): -11.7198 -11.7192 -9.8767 -9.8717 -9.4129 -9.4093 -9.3976 -9.3962 -8.9735 -8.9724 -8.9620 -8.9613 -1.7044 -1.7041 1.0951 1.1195 1.4432 1.4512 1.7040 1.7371 2.5107 2.5207 2.5316 2.5516 2.7903 2.8055 2.8657 2.8759 3.0334 3.0720 3.1162 3.1453 3.2017 3.2693 3.3122 3.3369 3.4531 3.5299 3.5801 3.5941 3.6515 3.6803 4.1203 4.1484 4.3613 4.4161 4.8638 4.8784 4.9559 4.9903 5.7296 5.7380 5.8122 5.8180 7.0336 7.0365 7.1356 7.1365 7.4190 7.4198 7.5486 7.5487 7.6179 7.6184 8.0458 8.0462 8.0544 8.0595 8.9926 9.0054 11.7361 11.7513 14.1863 14.2057 15.4643 15.5128 15.8272 15.8796 16.0109 16.0192 17.3176 17.3348 k = 0.0921-0.0594-0.0411 ( 3680 PWs) bands (ev): -11.7104 -11.7097 -9.8884 -9.8827 -9.4119 -9.4084 -9.3960 -9.3939 -8.9786 -8.9775 -8.9652 -8.9643 -1.6896 -1.6893 1.0411 1.0636 1.4443 1.4523 1.7446 1.7774 2.5115 2.5232 2.5360 2.5594 2.7595 2.7779 2.8362 2.8418 3.0316 3.0677 3.1154 3.1513 3.2009 3.2754 3.3222 3.3561 3.4603 3.5508 3.5969 3.6124 3.7001 3.7223 4.1299 4.1617 4.3518 4.4080 4.8838 4.8974 4.9972 5.0333 5.6987 5.7084 5.8063 5.8131 6.9843 6.9888 7.1193 7.1197 7.3859 7.3867 7.5476 7.5476 7.6237 7.6255 8.0296 8.0301 8.0433 8.0491 9.0592 9.0730 11.7316 11.7492 14.1583 14.1795 15.4417 15.4902 15.8799 15.9347 16.0572 16.0636 17.3145 17.3345 k = 0.1053-0.0679-0.0470 ( 3675 PWs) bands (ev): -11.6995 -11.6988 -9.9016 -9.8954 -9.4107 -9.4074 -9.3940 -9.3912 -8.9846 -8.9835 -8.9688 -8.9676 -1.6726 -1.6722 0.9869 1.0078 1.4456 1.4537 1.7829 1.8149 2.5121 2.5257 2.5403 2.5669 2.7262 2.7459 2.8112 2.8124 3.0308 3.0650 3.1152 3.1571 3.2009 3.2801 3.3321 3.3768 3.4712 3.5668 3.6096 3.6317 3.7525 3.7671 4.1430 4.1776 4.3443 4.4005 4.9070 4.9197 5.0418 5.0781 5.6647 5.6753 5.7998 5.8076 6.9291 6.9353 7.1008 7.1009 7.3535 7.3540 7.5463 7.5465 7.6294 7.6322 8.0117 8.0123 8.0315 8.0379 9.1292 9.1438 11.7257 11.7456 14.1296 14.1523 15.4218 15.4703 15.9363 15.9937 16.1039 16.1078 17.3124 17.3351 k = 0.1184-0.0764-0.0529 ( 3674 PWs) bands (ev): -11.6873 -11.6864 -9.9165 -9.9098 -9.4095 -9.4065 -9.3918 -9.3882 -8.9913 -8.9902 -8.9727 -8.9713 -1.6534 -1.6530 0.9329 0.9520 1.4473 1.4554 1.8187 1.8495 2.5121 2.5280 2.5440 2.5730 2.6924 2.7126 2.7846 2.7932 3.0306 3.0633 3.1152 3.1624 3.2016 3.2833 3.3421 3.3983 3.4852 3.5807 3.6221 3.6515 3.8041 3.8112 4.1602 4.1966 4.3393 4.3940 4.9337 4.9455 5.0883 5.1232 5.6288 5.6398 5.7926 5.8014 6.8690 6.8769 7.0799 7.0803 7.3219 7.3221 7.5447 7.5451 7.6347 7.6385 7.9926 7.9932 8.0190 8.0261 9.2013 9.2166 11.7181 11.7402 14.1007 14.1245 15.4051 15.4536 15.9939 16.0532 16.1513 16.1531 17.3120 17.3373 k = 0.1316-0.0849-0.0588 ( 3672 PWs) bands (ev): -11.6737 -11.6727 -9.9329 -9.9258 -9.4082 -9.4055 -9.3891 -9.3848 -8.9987 -8.9977 -8.9769 -8.9753 -1.6322 -1.6318 0.8789 0.8965 1.4494 1.4575 1.8521 1.8810 2.5109 2.5293 2.5461 2.5757 2.6612 2.6810 2.7627 2.7781 3.0307 3.0625 3.1151 3.1672 3.2034 3.2852 3.3527 3.4198 3.5014 3.5941 3.6355 3.6715 3.8522 3.8528 4.1822 4.2187 4.3370 4.3892 4.9643 4.9750 5.1343 5.1662 5.5935 5.6039 5.7848 5.7946 6.8053 6.8148 7.0570 7.0576 7.2906 7.2916 7.5430 7.5435 7.6394 7.6440 7.9724 7.9731 8.0058 8.0134 9.2746 9.2905 11.7085 11.7327 14.0725 14.0971 15.3918 15.4402 16.0493 16.1077 16.2010 16.2028 17.3139 17.3416 k = 0.1447-0.0933-0.0647 ( 3671 PWs) bands (ev): -11.6586 -11.6576 -9.9508 -9.9434 -9.4068 -9.4045 -9.3861 -9.3811 -9.0068 -9.0058 -8.9815 -8.9796 -1.6090 -1.6084 0.8252 0.8412 1.4520 1.4601 1.8828 1.9094 2.5076 2.5279 2.5453 2.5722 2.6361 2.6536 2.7469 2.7672 3.0307 3.0622 3.1148 3.1715 3.2063 3.2860 3.3638 3.4406 3.5188 3.6084 3.6501 3.6913 3.8889 3.8979 4.2091 4.2442 4.3379 4.3862 4.9987 5.0082 5.1766 5.2032 5.5628 5.5709 5.7765 5.7872 6.7387 6.7498 7.0321 7.0330 7.2601 7.2620 7.5410 7.5416 7.6433 7.6486 7.9515 7.9523 7.9917 8.0000 9.3483 9.3647 11.6967 11.7229 14.0452 14.0705 15.3820 15.4301 16.0986 16.1510 16.2550 16.2614 17.3190 17.3487 k = 0.1579-0.1018-0.0705 ( 3671 PWs) bands (ev): -11.6422 -11.6411 -9.9703 -9.9626 -9.4054 -9.4034 -9.3827 -9.3771 -9.0154 -9.0144 -8.9865 -8.9843 -1.5837 -1.5831 0.7717 0.7863 1.4552 1.4633 1.9109 1.9346 2.5006 2.5197 2.5406 2.5639 2.6186 2.6327 2.7388 2.7606 3.0305 3.0622 3.1140 3.1750 3.2105 3.2862 3.3752 3.4600 3.5366 3.6240 3.6661 3.7106 3.9209 3.9387 4.2408 4.2723 4.3427 4.3855 5.0370 5.0449 5.2091 5.2272 5.5439 5.5464 5.7678 5.7795 6.6702 6.6828 7.0054 7.0066 7.2302 7.2330 7.5388 7.5395 7.6463 7.6523 7.9302 7.9311 7.9770 7.9858 9.4218 9.4387 11.6823 11.7105 14.0195 14.0451 15.3756 15.4233 16.1387 16.1815 16.3151 16.3289 17.3278 17.3593 k = 0.1711-0.1103-0.0764 ( 3669 PWs) bands (ev): -11.6245 -11.6232 -9.9911 -9.9832 -9.4039 -9.4022 -9.3791 -9.3729 -9.0246 -9.0236 -8.9917 -8.9894 -1.5565 -1.5559 0.7186 0.7317 1.4590 1.4670 1.9363 1.9568 2.4887 2.5012 2.5325 2.5570 2.6056 2.6193 2.7388 2.7586 3.0298 3.0625 3.1130 3.1778 3.2160 3.2862 3.3870 3.4775 3.5545 3.6415 3.6834 3.7292 3.9487 3.9754 4.2763 4.3014 4.3527 4.3874 5.0791 5.0847 5.2238 5.2304 5.5390 5.5450 5.7592 5.7717 6.6003 6.6144 6.9771 6.9785 7.2006 7.2044 7.5363 7.5371 7.6484 7.6550 7.9088 7.9097 7.9615 7.9709 9.4945 9.5118 11.6654 11.6952 13.9957 14.0214 15.3725 15.4194 16.1683 16.2012 16.3811 16.4017 17.3412 17.3739 k = 0.1842-0.1188-0.0823 ( 3673 PWs) bands (ev): -11.6054 -11.6041 -10.0134 -10.0054 -9.4024 -9.4009 -9.3751 -9.3685 -9.0342 -9.0333 -8.9973 -8.9947 -1.5275 -1.5268 0.6658 0.6775 1.4636 1.4714 1.9591 1.9759 2.4717 2.4760 2.5226 2.5513 2.5950 2.6124 2.7458 2.7607 3.0284 3.0633 3.1118 3.1797 3.2226 3.2863 3.3987 3.4927 3.5718 3.6606 3.7016 3.7469 3.9732 4.0084 4.3142 4.3282 4.3708 4.3922 5.1246 5.1259 5.2121 5.2150 5.5543 5.5686 5.7511 5.7642 6.5297 6.5453 6.9473 6.9489 7.1713 7.1761 7.5335 7.5344 7.6494 7.6564 7.8874 7.8885 7.9454 7.9554 9.5660 9.5838 11.6456 11.6771 13.9740 13.9997 15.3724 15.4182 16.1880 16.2117 16.4513 16.4771 17.3593 17.3929 k = 0.1974-0.1273-0.0882 ( 3673 PWs) bands (ev): -11.5851 -11.5836 -10.0371 -10.0290 -9.4007 -9.3995 -9.3708 -9.3638 -9.0443 -9.0434 -9.0033 -9.0005 -1.4967 -1.4959 0.6133 0.6238 1.4691 1.4767 1.9793 1.9922 2.4487 2.4511 2.5118 2.5423 2.5885 2.6096 2.7575 2.7660 3.0262 3.0645 3.1108 3.1807 3.2303 3.2868 3.4102 3.5057 3.5886 3.6809 3.7203 3.7636 3.9955 4.0385 4.3503 4.3529 4.3984 4.4003 5.1504 5.1727 5.1860 5.1957 5.5893 5.6090 5.7444 5.7579 6.4587 6.4759 6.9162 6.9179 7.1421 7.1479 7.5304 7.5313 7.6492 7.6567 7.8664 7.8675 7.9287 7.9391 9.6360 9.6542 11.6229 11.6559 13.9547 13.9803 15.3748 15.4190 16.1990 16.2141 16.5237 16.5532 17.3825 17.4164 k = 0.2105-0.1358-0.0941 ( 3671 PWs) bands (ev): -11.5634 -11.5619 -10.0621 -10.0540 -9.3989 -9.3979 -9.3662 -9.3590 -9.0547 -9.0538 -9.0095 -9.0065 -1.4642 -1.4633 0.5613 0.5705 1.4756 1.4827 1.9970 2.0057 2.4217 2.4291 2.5008 2.5293 2.5866 2.6094 2.7721 2.7736 3.0230 3.0663 3.1104 3.1809 3.2388 3.2877 3.4215 3.5165 3.6047 3.7017 3.7392 3.7792 4.0166 4.0662 4.3705 4.3893 4.4138 4.4317 5.1150 5.1442 5.2232 5.2308 5.6358 5.6591 5.7408 5.7536 6.3876 6.4067 6.8840 6.8857 7.1129 7.1198 7.5268 7.5278 7.6478 7.6556 7.8459 7.8471 7.9116 7.9224 9.7042 9.7227 11.5974 11.6317 13.9381 13.9635 15.3790 15.4211 16.2028 16.2095 16.5967 16.6287 17.4104 17.4442 k = 0.2237-0.1443-0.0999 ( 3671 PWs) bands (ev): -11.5406 -11.5389 -10.0884 -10.0803 -9.3970 -9.3961 -9.3614 -9.3539 -9.0653 -9.0644 -9.0160 -9.0128 -1.4300 -1.4290 0.5096 0.5177 1.4832 1.4898 2.0122 2.0166 2.3957 2.4071 2.4897 2.5142 2.5873 2.6105 2.7822 2.7880 3.0190 3.0689 3.1109 3.1803 3.2479 3.2891 3.4324 3.5256 3.6201 3.7221 3.7576 3.7936 4.0373 4.0922 4.3915 4.4143 4.4405 4.4668 5.0640 5.0966 5.2737 5.2770 5.6844 5.7137 5.7454 5.7533 6.3170 6.3382 6.8508 6.8525 7.0836 7.0915 7.5228 7.5238 7.6451 7.6531 7.8260 7.8274 7.8940 7.9051 9.7703 9.7892 11.5690 11.6044 13.9244 13.9494 15.3843 15.4236 16.1989 16.2008 16.6688 16.7022 17.4423 17.4749 k = 0.2368-0.1528-0.1058 ( 3673 PWs) bands (ev): -11.5164 -11.5147 -10.1160 -10.1079 -9.3949 -9.3942 -9.3563 -9.3487 -9.0762 -9.0753 -9.0228 -9.0195 -1.3944 -1.3933 0.4583 0.4653 1.4919 1.4979 2.0250 2.0251 2.3713 2.3858 2.4790 2.4989 2.5890 2.6122 2.7909 2.8037 3.0146 3.0722 3.1126 3.1792 3.2574 3.2911 3.4427 3.5332 3.6350 3.7414 3.7752 3.8069 4.0581 4.1171 4.4138 4.4308 4.4758 4.5016 5.0106 5.0477 5.3227 5.3228 5.7174 5.7527 5.7738 5.7756 6.2472 6.2711 6.8168 6.8186 7.0541 7.0631 7.5182 7.5192 7.6410 7.6491 7.8070 7.8084 7.8761 7.8875 9.8341 9.8535 11.5379 11.5743 13.9137 13.9382 15.3896 15.4252 16.1841 16.1947 16.7387 16.7726 17.4767 17.5023 k = 0.2500-0.1612-0.1117 ( 3661 PWs) bands (ev): -11.4911 -11.4893 -10.1447 -10.1367 -9.3926 -9.3920 -9.3511 -9.3433 -9.0872 -9.0864 -9.0299 -9.0264 -1.3573 -1.3561 0.4075 0.4134 1.5019 1.5072 2.0314 2.0356 2.3486 2.3658 2.4691 2.4843 2.5910 2.6141 2.7987 2.8180 3.0106 3.0765 3.1158 3.1781 3.2672 3.2936 3.4526 3.5395 3.6493 3.7592 3.7918 3.8193 4.0794 4.1413 4.4363 4.4457 4.5110 4.5348 4.9593 5.0012 5.3651 5.3675 5.7357 5.7661 5.8249 5.8300 6.1794 6.2070 6.7822 6.7840 7.0245 7.0347 7.5130 7.5140 7.6354 7.6435 7.7889 7.7905 7.8582 7.8696 9.8956 9.9154 11.5041 11.5414 13.9062 13.9301 15.3934 15.4247 16.1669 16.1866 16.8052 16.8386 17.5073 17.5082 k = 0.2632-0.1697-0.1176 ( 3663 PWs) bands (ev): -11.4647 -11.4627 -10.1747 -10.1668 -9.3902 -9.3897 -9.3456 -9.3378 -9.0983 -9.0975 -9.0372 -9.0336 -1.3189 -1.3176 0.3571 0.3620 1.5133 1.5177 2.0355 2.0439 2.3276 2.3473 2.4604 2.4709 2.5928 2.6157 2.8048 2.8288 3.0082 3.0816 3.1203 3.1771 3.2771 3.2965 3.4617 3.5446 3.6632 3.7750 3.8072 3.8307 4.1013 4.1649 4.4566 4.4582 4.5439 4.5655 4.9138 4.9605 5.4015 5.4055 5.7582 5.7872 5.8780 5.8802 6.1165 6.1497 6.7472 6.7489 6.9948 7.0061 7.5071 7.5081 7.6282 7.6361 7.7719 7.7736 7.8404 7.8517 9.9545 9.9748 11.4679 11.5059 13.9021 13.9253 15.3940 15.4204 16.1495 16.1785 16.8667 16.8986 17.5050 17.5193 k = 0.2763-0.1782-0.1234 ( 3671 PWs) bands (ev): -11.4371 -11.4350 -10.2057 -10.1979 -9.3876 -9.3872 -9.3400 -9.3321 -9.1095 -9.1087 -9.0448 -9.0410 -1.2792 -1.2779 0.3070 0.3110 1.5261 1.5294 2.0377 2.0500 2.3085 2.3303 2.4531 2.4592 2.5941 2.6168 2.8084 2.8344 3.0092 3.0875 3.1263 3.1769 3.2868 3.2997 3.4701 3.5486 3.6769 3.7889 3.8216 3.8414 4.1238 4.1883 4.4657 4.4707 4.5736 4.5930 4.8791 4.9297 5.4306 5.4354 5.7907 5.8188 5.9131 5.9172 6.0693 6.1102 6.7120 6.7136 6.9651 6.9776 7.5005 7.5013 7.6193 7.6269 7.7562 7.7579 7.8229 7.8339 10.0108 10.0315 11.4294 11.4680 13.9014 13.9239 15.3898 15.4108 16.1344 16.1726 16.9218 16.9511 17.5048 17.5234 k = 0.2895-0.1867-0.1293 ( 3665 PWs) bands (ev): -11.4084 -11.4062 -10.2378 -10.2302 -9.3847 -9.3844 -9.3342 -9.3263 -9.1206 -9.1198 -9.0525 -9.0486 -1.2385 -1.2370 0.2573 0.2605 1.5404 1.5426 2.0381 2.0541 2.2914 2.3150 2.4474 2.4494 2.5948 2.6171 2.8090 2.8333 3.0148 3.0941 3.1336 3.1780 3.2964 3.3033 3.4777 3.5517 3.6904 3.8009 3.8349 3.8514 4.1470 4.2114 4.4650 4.4738 4.5993 4.6166 4.8605 4.9127 5.4531 5.4577 5.8323 5.8600 5.9085 5.9119 6.0680 6.1085 6.6767 6.6783 6.9357 6.9495 7.4930 7.4937 7.6085 7.6156 7.7417 7.7435 7.8060 7.8164 10.0646 10.0858 11.3890 11.4280 13.9043 13.9261 15.3788 15.3943 16.1239 16.1710 16.9690 16.9945 17.5100 17.5313 k = 0.3026-0.1952-0.1352 ( 3662 PWs) bands (ev): -11.3787 -11.3764 -10.2709 -10.2634 -9.3817 -9.3813 -9.3283 -9.3204 -9.1316 -9.1309 -9.0605 -9.0564 -1.1967 -1.1951 0.2080 0.2104 1.5563 1.5571 2.0368 2.0561 2.2760 2.3015 2.4415 2.4433 2.5947 2.6164 2.8058 2.8251 3.0253 3.1015 3.1423 3.1804 3.3057 3.3072 3.4844 3.5537 3.7039 3.8114 3.8475 3.8610 4.1707 4.2342 4.4541 4.4625 4.6205 4.6361 4.8613 4.9116 5.4709 5.4748 5.8510 5.8655 5.8963 5.9126 6.1073 6.1409 6.6418 6.6433 6.9070 6.9220 7.4845 7.4852 7.5957 7.6021 7.7285 7.7304 7.7898 7.7995 10.1157 10.1375 11.3468 11.3862 13.9109 13.9318 15.3596 15.3700 16.1200 16.1752 17.0072 17.0278 17.5214 17.5451 k = 0.3158-0.2037-0.1411 ( 3664 PWs) bands (ev): -11.3480 -11.3455 -10.3049 -10.2976 -9.3784 -9.3781 -9.3223 -9.3145 -9.1424 -9.1417 -9.0687 -9.0644 -1.1540 -1.1522 0.1591 0.1608 1.5730 1.5737 2.0341 2.0563 2.2626 2.2897 2.4354 2.4408 2.5937 2.6147 2.7988 2.8105 3.0398 3.1093 3.1522 3.1844 3.3113 3.3146 3.4901 3.5545 3.7175 3.8205 3.8596 3.8700 4.1946 4.2564 4.4337 4.4380 4.6370 4.6515 4.8800 4.9259 5.4866 5.4896 5.7960 5.8112 5.9477 5.9672 6.1565 6.1860 6.6076 6.6091 6.8794 6.8958 7.4751 7.4757 7.5808 7.5863 7.7166 7.7187 7.7746 7.7833 10.1644 10.1866 11.3032 11.3428 13.9212 13.9414 15.3315 15.3376 16.1239 16.1860 17.0357 17.0505 17.5389 17.5648 k = 0.3289-0.2122-0.1470 ( 3658 PWs) bands (ev): -11.3163 -11.3137 -10.3398 -10.3327 -9.3748 -9.3745 -9.3163 -9.3086 -9.1530 -9.1523 -9.0769 -9.0726 -1.1104 -1.1086 0.1104 0.1115 1.5904 1.5928 2.0300 2.0548 2.2511 2.2799 2.4311 2.4399 2.5919 2.6118 2.7876 2.7908 3.0571 3.1178 3.1631 3.1900 3.3158 3.3231 3.4946 3.5542 3.7313 3.8287 3.8715 3.8789 4.2184 4.2772 4.4055 4.4065 4.6487 4.6626 4.9121 4.9528 5.5024 5.5046 5.7332 5.7519 6.0065 6.0250 6.2053 6.2325 6.5752 6.5766 6.8540 6.8717 7.4648 7.4651 7.5636 7.5681 7.7061 7.7082 7.7606 7.7681 10.2106 10.2334 11.2585 11.2981 13.9355 13.9547 15.2944 15.2973 16.1360 16.2036 17.0545 17.0630 17.5619 17.5895 k = 0.3421-0.2206-0.1528 ( 3656 PWs) bands (ev): -11.2837 -11.2810 -10.3755 -10.3686 -9.3710 -9.3707 -9.3103 -9.3027 -9.1632 -9.1626 -9.0854 -9.0809 -1.0662 -1.0642 0.0621 0.0625 1.6092 1.6134 2.0247 2.0517 2.2416 2.2722 2.4284 2.4404 2.5891 2.6077 2.7671 2.7725 3.0760 3.1269 3.1748 3.1966 3.3206 3.3311 3.4978 3.5525 3.7454 3.8362 3.8834 3.8875 4.2411 4.2933 4.3721 4.3766 4.6559 4.6696 4.9530 4.9886 5.5197 5.5213 5.6704 5.6922 6.0649 6.0819 6.2494 6.2756 6.5460 6.5472 6.8320 6.8508 7.4534 7.4536 7.5442 7.5475 7.6968 7.6991 7.7477 7.7539 10.2545 10.2780 11.2130 11.2526 13.9536 13.9719 15.2490 15.2498 16.1561 16.2278 17.0644 17.0664 17.5889 17.6172 k = 0.3553-0.2291-0.1587 ( 3659 PWs) bands (ev): -11.2502 -11.2473 -10.4119 -10.4052 -9.3670 -9.3667 -9.3045 -9.2969 -9.1729 -9.1723 -9.0939 -9.0894 -1.0213 -1.0192 0.0139 0.0140 1.6292 1.6356 2.0183 2.0472 2.2340 2.2664 2.4271 2.4422 2.5853 2.6024 2.7405 2.7538 3.0956 3.1366 3.1872 3.2038 3.3259 3.3386 3.4997 3.5495 3.7597 3.8431 3.8956 3.8960 4.2602 4.2926 4.3488 4.3528 4.6590 4.6731 4.9986 5.0297 5.5384 5.5396 5.6105 5.6350 6.1186 6.1340 6.2864 6.3118 6.5228 6.5237 6.8151 6.8347 7.4410 7.4410 7.5225 7.5248 7.6888 7.6912 7.7360 7.7409 10.2964 10.3205 11.1669 11.2064 13.9758 13.9931 15.1961 15.1965 16.1832 16.2576 17.0618 17.0662 17.6180 17.6462 k = 0.3684-0.2376-0.1646 ( 3661 PWs) bands (ev): -11.2159 -11.2129 -10.4490 -10.4424 -9.3627 -9.3623 -9.2989 -9.2915 -9.1820 -9.1813 -9.1025 -9.0979 -0.9759 -0.9737 -0.0344 -0.0338 1.6505 1.6591 2.0108 2.0413 2.2285 2.2629 2.4268 2.4450 2.5805 2.5957 2.7119 2.7320 3.1154 3.1467 3.1999 3.2112 3.3317 3.3456 3.5001 3.5450 3.7742 3.8497 3.9044 3.9083 4.2666 4.2679 4.3324 4.3575 4.6593 4.6745 5.0457 5.0728 5.5395 5.5499 5.5757 5.5912 6.1620 6.1756 6.3139 6.3382 6.5102 6.5102 6.8052 6.8251 7.4274 7.4276 7.4987 7.5001 7.6820 7.6844 7.7254 7.7291 10.3363 10.3611 11.1206 11.1598 14.0019 14.0182 15.1374 15.1384 16.2163 16.2925 17.0503 17.0611 17.6477 17.6748 k = 0.3816-0.2461-0.1705 ( 3665 PWs) bands (ev): -11.1808 -11.1777 -10.4866 -10.4803 -9.3581 -9.3577 -9.2938 -9.2867 -9.1903 -9.1895 -9.1112 -9.1065 -0.9301 -0.9277 -0.0825 -0.0815 1.6729 1.6840 2.0024 2.0343 2.2251 2.2617 2.4270 2.4487 2.5746 2.5876 2.6822 2.7079 3.1349 3.1572 3.2127 3.2183 3.3382 3.3523 3.4989 3.5389 3.7889 3.8560 3.9125 3.9214 4.2333 4.2570 4.3353 4.3682 4.6585 4.6759 5.0906 5.1138 5.4938 5.5183 5.5957 5.5989 6.1889 6.2003 6.3305 6.3529 6.5123 6.5139 6.8039 6.8232 7.4128 7.4133 7.4731 7.4737 7.6762 7.6788 7.7158 7.7184 10.3746 10.4001 11.0743 11.1133 14.0319 14.0473 15.0748 15.0758 16.2543 16.3314 17.0327 17.0499 17.6766 17.7017 k = 0.3947-0.2546-0.1764 ( 3663 PWs) bands (ev): -11.1450 -11.1417 -10.5248 -10.5187 -9.3533 -9.3528 -9.2894 -9.2827 -9.1973 -9.1963 -9.1199 -9.1151 -0.8839 -0.8814 -0.1303 -0.1289 1.6961 1.7099 1.9930 2.0261 2.2239 2.2629 2.4272 2.4530 2.5674 2.5778 2.6528 2.6826 3.1538 3.1678 3.2247 3.2252 3.3455 3.3589 3.4963 3.5315 3.8035 3.8622 3.9200 3.9348 4.2016 4.2384 4.3463 4.3757 4.6589 4.6798 5.1282 5.1461 5.4543 5.4801 5.6234 5.6251 6.1956 6.2049 6.3355 6.3550 6.5330 6.5367 6.8116 6.8293 7.3972 7.3981 7.4459 7.4461 7.6715 7.6742 7.7073 7.7088 10.4115 10.4378 11.0284 11.0670 14.0660 14.0804 15.0095 15.0100 16.2963 16.3736 17.0098 17.0332 17.7037 17.7265 k = 0.4079-0.2631-0.1822 ( 3659 PWs) bands (ev): -11.1085 -11.1051 -10.5634 -10.5575 -9.3482 -9.3477 -9.2861 -9.2799 -9.2029 -9.2015 -9.1286 -9.1238 -0.8374 -0.8349 -0.1780 -0.1763 1.7199 1.7367 1.9827 2.0169 2.2251 2.2668 2.4264 2.4573 2.5587 2.5663 2.6252 2.6572 3.1718 3.1783 3.2302 3.2368 3.3537 3.3656 3.4921 3.5226 3.8179 3.8683 3.9264 3.9474 4.1745 4.2216 4.3551 4.3768 4.6633 4.6887 5.1507 5.1602 5.4348 5.4572 5.6529 5.6540 6.1856 6.1933 6.3292 6.3456 6.5696 6.5749 6.8267 6.8422 7.3807 7.3821 7.4177 7.4178 7.6677 7.6705 7.6996 7.7002 10.4474 10.4744 10.9830 11.0211 14.1039 14.1173 14.9421 14.9422 16.3413 16.4184 16.9821 17.0116 17.7287 17.7487 k = 0.4211-0.2716-0.1881 ( 3659 PWs) bands (ev): -11.0715 -11.0679 -10.6024 -10.5966 -9.3428 -9.3422 -9.2844 -9.2790 -9.2064 -9.2045 -9.1373 -9.1324 -0.7907 -0.7881 -0.2255 -0.2235 1.7442 1.7639 1.9714 2.0066 2.2288 2.2733 2.4232 2.4608 2.5483 2.5531 2.6015 2.6333 3.1885 3.1888 3.2344 3.2471 3.3627 3.3726 3.4864 3.5124 3.8321 3.8744 3.9310 3.9577 4.1545 4.2100 4.3579 4.3703 4.6740 4.7041 5.1488 5.1507 5.4423 5.4576 5.6820 5.6827 6.1658 6.1725 6.3131 6.3266 6.6157 6.6218 6.8464 6.8594 7.3632 7.3654 7.3892 7.3899 7.6649 7.6677 7.6926 7.6927 10.4825 10.5104 10.9385 10.9760 14.1457 14.1581 14.8730 14.8738 16.3888 16.4650 16.9501 16.9855 17.7514 17.7686 k = 0.4342-0.2800-0.1940 ( 3657 PWs) bands (ev): -11.0338 -11.0301 -10.6416 -10.6361 -9.3372 -9.3365 -9.2846 -9.2800 -9.2077 -9.2051 -9.1459 -9.1410 -0.7439 -0.7412 -0.2728 -0.2706 1.7684 1.7913 1.9591 1.9951 2.2353 2.2827 2.4156 2.4613 2.5375 2.5395 2.5829 2.6122 3.1981 3.2045 3.2374 3.2555 3.3725 3.3803 3.4794 3.5010 3.8461 3.8806 3.9333 3.9634 4.1440 4.2047 4.3534 4.3564 4.6923 4.7263 5.1165 5.1287 5.4719 5.4806 5.7082 5.7086 6.1427 6.1489 6.2896 6.3006 6.6660 6.6724 6.8672 6.8777 7.3446 7.3483 7.3615 7.3636 7.6629 7.6658 7.6859 7.6866 10.5172 10.5459 10.8948 10.9317 14.1911 14.2026 14.8033 14.8050 16.4379 16.5130 16.9141 16.9551 17.7718 17.7865 k = 0.4474-0.2885-0.1999 ( 3657 PWs) bands (ev): -10.9957 -10.9918 -10.6811 -10.6758 -9.3314 -9.3305 -9.2867 -9.2829 -9.2066 -9.2034 -9.1544 -9.1495 -0.6969 -0.6941 -0.3201 -0.3176 1.7924 1.8183 1.9458 1.9823 2.2447 2.2951 2.4021 2.4557 2.5291 2.5292 2.5688 2.5942 3.2070 3.2189 3.2390 3.2616 3.3831 3.3891 3.4712 3.4887 3.8600 3.8870 3.9331 3.9625 4.1448 4.2061 4.3364 4.3422 4.7184 4.7549 5.0729 5.0927 5.5132 5.5178 5.7284 5.7284 6.1221 6.1279 6.2609 6.2701 6.7168 6.7229 6.8859 6.8939 7.3250 7.3307 7.3363 7.3405 7.6617 7.6646 7.6800 7.6813 10.5517 10.5813 10.8523 10.8885 14.2401 14.2506 14.7338 14.7365 16.4882 16.5617 16.8746 16.9209 17.7903 17.8027 k = 0.4605-0.2970-0.2057 ( 3660 PWs) bands (ev): -10.9572 -10.9531 -10.7207 -10.7156 -9.3254 -9.3244 -9.2903 -9.2873 -9.2035 -9.1997 -9.1628 -9.1578 -0.6499 -0.6471 -0.3673 -0.3647 1.8157 1.8445 1.9312 1.9681 2.2571 2.3103 2.3829 2.4412 2.5249 2.5259 2.5578 2.5790 3.2149 3.2316 3.2393 3.2650 3.3942 3.3990 3.4618 3.4757 3.8739 3.8935 3.9305 3.9555 4.1561 4.2137 4.3120 4.3258 4.7511 4.7887 5.0245 5.0496 5.5591 5.5616 5.7383 5.7385 6.1088 6.1145 6.2293 6.2371 6.7656 6.7711 6.8991 6.9046 7.3065 7.3115 7.3172 7.3213 7.6613 7.6642 7.6750 7.6767 10.5864 10.6168 10.8109 10.8464 14.2926 14.3021 14.6651 14.6687 16.5391 16.6107 16.8321 16.8833 17.8072 17.8177 k = 0.4737-0.3055-0.2116 ( 3652 PWs) bands (ev): -10.9182 -10.9140 -10.7604 -10.7554 -9.3192 -9.3180 -9.2952 -9.2927 -9.1987 -9.1945 -9.1709 -9.1660 -0.6028 -0.6000 -0.4144 -0.4117 1.8382 1.8696 1.9153 1.9522 2.2728 2.3285 2.3601 2.4201 2.5251 2.5288 2.5485 2.5660 3.2219 3.2383 3.2427 3.2656 3.4058 3.4102 3.4516 3.4623 3.8880 3.9003 3.9260 3.9442 4.1753 4.2267 4.2847 4.3061 4.7892 4.8267 4.9747 5.0038 5.6056 5.6068 5.7350 5.7352 6.1068 6.1125 6.1968 6.2036 6.8102 6.8149 6.9039 6.9068 7.2924 7.2956 7.3025 7.3053 7.6616 7.6645 7.6708 7.6729 10.6216 10.6529 10.7708 10.8055 14.3482 14.3567 14.5976 14.6022 16.5901 16.6594 16.7870 16.8427 17.8230 17.8318 k = 0.4868-0.3140-0.2175 ( 3650 PWs) bands (ev): -10.8790 -10.8746 -10.8000 -10.7953 -9.3130 -9.3116 -9.3008 -9.2988 -9.1928 -9.1883 -9.1787 -9.1738 -0.5557 -0.5529 -0.4615 -0.4588 1.8595 1.8931 1.8981 1.9344 2.2915 2.3361 2.3492 2.3962 2.5283 2.5354 2.5405 2.5544 3.2278 3.2360 3.2518 3.2635 3.4175 3.4224 3.4406 3.4487 3.9022 3.9071 3.9203 3.9308 4.1998 4.2438 4.2560 4.2849 4.8315 4.8680 4.9252 4.9575 5.6495 5.6500 5.7175 5.7177 6.1171 6.1228 6.1654 6.1716 6.8485 6.8520 6.8979 6.8983 7.2853 7.2867 7.2915 7.2930 7.6628 7.6655 7.6673 7.6697 10.6574 10.6896 10.7319 10.7658 14.4068 14.4143 14.5318 14.5374 16.6409 16.7074 16.7398 16.7996 17.8377 17.8451 k = 0.5000-0.3225-0.2234 ( 3654 PWs) bands (ev): -10.8396 -10.8396 -10.8350 -10.8350 -9.3068 -9.3068 -9.3051 -9.3051 -9.1861 -9.1861 -9.1813 -9.1813 -0.5087 -0.5087 -0.5058 -0.5058 1.8795 1.8795 1.9147 1.9147 2.3128 2.3128 2.3720 2.3720 2.5337 2.5337 2.5442 2.5442 3.2325 3.2325 3.2588 3.2588 3.4292 3.4292 3.4353 3.4353 3.9138 3.9138 3.9166 3.9166 4.2272 4.2272 4.2636 4.2636 4.8771 4.8771 4.9119 4.9119 5.6879 5.6879 5.6881 5.6881 6.1378 6.1378 6.1436 6.1436 6.8786 6.8786 6.8803 6.8803 7.2856 7.2856 7.2858 7.2858 7.6647 7.6647 7.6673 7.6673 10.6941 10.6941 10.7271 10.7271 14.4681 14.4681 14.4747 14.4747 16.6909 16.6909 16.7543 16.7543 17.8517 17.8518 k = 0.5000-0.3225-0.2234 ( 3654 PWs) bands (ev): -10.8396 -10.8396 -10.8350 -10.8350 -9.3068 -9.3068 -9.3051 -9.3051 -9.1861 -9.1861 -9.1813 -9.1813 -0.5087 -0.5087 -0.5058 -0.5058 1.8795 1.8795 1.9147 1.9147 2.3128 2.3128 2.3720 2.3720 2.5337 2.5337 2.5442 2.5442 3.2325 3.2325 3.2588 3.2588 3.4292 3.4292 3.4353 3.4353 3.9138 3.9138 3.9166 3.9166 4.2272 4.2272 4.2636 4.2636 4.8771 4.8771 4.9119 4.9119 5.6879 5.6879 5.6881 5.6881 6.1378 6.1378 6.1436 6.1436 6.8786 6.8786 6.8803 6.8803 7.2856 7.2856 7.2858 7.2858 7.6647 7.6647 7.6673 7.6673 10.6941 10.6941 10.7271 10.7271 14.4681 14.4681 14.4747 14.4747 16.6909 16.6909 16.7543 16.7543 17.8517 17.8519 k = 0.5000-0.3130-0.2371 ( 3654 PWs) bands (ev): -10.8392 -10.8392 -10.8346 -10.8346 -9.3087 -9.3087 -9.3066 -9.3066 -9.1850 -9.1850 -9.1801 -9.1801 -0.5080 -0.5080 -0.5051 -0.5051 1.8786 1.8786 1.9141 1.9141 2.3109 2.3109 2.3707 2.3707 2.5345 2.5345 2.5492 2.5492 3.2317 3.2317 3.2587 3.2587 3.4273 3.4273 3.4375 3.4375 3.9107 3.9107 3.9186 3.9186 4.2271 4.2271 4.2645 4.2645 4.8743 4.8743 4.9095 4.9095 5.6868 5.6868 5.6921 5.6921 6.1381 6.1381 6.1451 6.1451 6.8776 6.8776 6.8800 6.8800 7.2858 7.2858 7.2876 7.2876 7.6643 7.6643 7.6670 7.6670 10.6945 10.6945 10.7275 10.7275 14.4669 14.4669 14.4738 14.4738 16.6892 16.6892 16.7525 16.7525 17.8500 17.8500 k = 0.5000-0.3034-0.2509 ( 3654 PWs) bands (ev): -10.8380 -10.8380 -10.8334 -10.8334 -9.3141 -9.3141 -9.3112 -9.3112 -9.1819 -9.1819 -9.1768 -9.1768 -0.5059 -0.5059 -0.5030 -0.5030 1.8761 1.8761 1.9123 1.9123 2.3056 2.3056 2.3667 2.3667 2.5395 2.5395 2.5613 2.5613 3.2294 3.2294 3.2582 3.2582 3.4243 3.4243 3.4414 3.4414 3.9056 3.9056 3.9205 3.9205 4.2271 4.2271 4.2668 4.2668 4.8661 4.8661 4.9024 4.9024 5.6885 5.6885 5.6988 5.6988 6.1394 6.1394 6.1490 6.1490 6.8750 6.8750 6.8787 6.8787 7.2879 7.2879 7.2914 7.2914 7.6631 7.6631 7.6660 7.6660 10.6956 10.6956 10.7287 10.7287 14.4634 14.4634 14.4712 14.4712 16.6842 16.6842 16.7471 16.7471 17.8462 17.8462 k = 0.5000-0.2939-0.2646 ( 3654 PWs) bands (ev): -10.8359 -10.8359 -10.8313 -10.8313 -9.3223 -9.3223 -9.3186 -9.3186 -9.1773 -9.1773 -9.1719 -9.1719 -0.5025 -0.5025 -0.4995 -0.4995 1.8721 1.8721 1.9093 1.9093 2.2980 2.2980 2.3604 2.3604 2.5497 2.5497 2.5777 2.5777 3.2259 3.2259 3.2571 3.2571 3.4214 3.4214 3.4458 3.4458 3.8996 3.8996 3.9211 3.9211 4.2273 4.2273 4.2705 4.2705 4.8528 4.8528 4.8907 4.8907 5.6930 5.6930 5.7078 5.7078 6.1423 6.1423 6.1550 6.1550 6.8712 6.8712 6.8763 6.8763 7.2919 7.2919 7.2969 7.2969 7.6611 7.6611 7.6644 7.6644 10.6975 10.6975 10.7306 10.7306 14.4578 14.4578 14.4668 14.4668 16.6759 16.6759 16.7383 16.7383 17.8415 17.8415 k = 0.5000-0.2844-0.2783 ( 3664 PWs) bands (ev): -10.8331 -10.8331 -10.8285 -10.8285 -9.3326 -9.3326 -9.3284 -9.3284 -9.1714 -9.1714 -9.1658 -9.1658 -0.4977 -0.4977 -0.4946 -0.4946 1.8666 1.8666 1.9050 1.9050 2.2893 2.2893 2.3526 2.3526 2.5644 2.5644 2.5972 2.5972 3.2215 3.2215 3.2551 3.2551 3.4191 3.4191 3.4502 3.4502 3.8929 3.8929 3.9204 3.9204 4.2282 4.2282 4.2752 4.2752 4.8349 4.8349 4.8747 4.8747 5.6999 5.6999 5.7186 5.7186 6.1467 6.1467 6.1626 6.1626 6.8664 6.8664 6.8728 6.8728 7.2976 7.2976 7.3040 7.3040 7.6585 7.6585 7.6622 7.6622 10.7002 10.7002 10.7333 10.7333 14.4501 14.4501 14.4605 14.4605 16.6645 16.6645 16.7263 16.7263 17.8363 17.8363 k = 0.5000-0.2749-0.2921 ( 3666 PWs) bands (ev): -10.8294 -10.8294 -10.8248 -10.8248 -9.3448 -9.3448 -9.3401 -9.3401 -9.1649 -9.1649 -9.1591 -9.1591 -0.4917 -0.4917 -0.4885 -0.4885 1.8598 1.8598 1.8994 1.8994 2.2803 2.2803 2.3439 2.3439 2.5826 2.5826 2.6189 2.6189 3.2165 3.2165 3.2518 3.2518 3.4174 3.4174 3.4547 3.4547 3.8858 3.8858 3.9184 3.9184 4.2300 4.2300 4.2808 4.2808 4.8130 4.8130 4.8548 4.8548 5.7088 5.7088 5.7308 5.7308 6.1528 6.1528 6.1718 6.1718 6.8608 6.8608 6.8682 6.8682 7.3047 7.3047 7.3123 7.3123 7.6553 7.6553 7.6595 7.6595 10.7038 10.7038 10.7369 10.7369 14.4405 14.4405 14.4526 14.4526 16.6503 16.6503 16.7113 16.7113 17.8307 17.8307 k = 0.5000-0.2654-0.3058 ( 3660 PWs) bands (ev): -10.8250 -10.8250 -10.8204 -10.8204 -9.3583 -9.3583 -9.3533 -9.3533 -9.1579 -9.1579 -9.1520 -9.1520 -0.4844 -0.4844 -0.4811 -0.4811 1.8520 1.8520 1.8928 1.8928 2.2717 2.2717 2.3352 2.3352 2.6032 2.6032 2.6422 2.6422 3.2110 3.2110 3.2473 3.2473 3.4162 3.4162 3.4591 3.4591 3.8784 3.8784 3.9152 3.9152 4.2329 4.2329 4.2871 4.2871 4.7879 4.7879 4.8314 4.8314 5.7194 5.7194 5.7438 5.7438 6.1604 6.1604 6.1824 6.1824 6.8544 6.8544 6.8628 6.8628 7.3129 7.3129 7.3214 7.3214 7.6516 7.6516 7.6563 7.6563 10.7081 10.7081 10.7413 10.7413 14.4292 14.4292 14.4430 14.4430 16.6335 16.6335 16.6938 16.6938 17.8249 17.8249 k = 0.5000-0.2559-0.3196 ( 3662 PWs) bands (ev): -10.8199 -10.8199 -10.8153 -10.8153 -9.3730 -9.3730 -9.3678 -9.3678 -9.1507 -9.1507 -9.1448 -9.1448 -0.4760 -0.4760 -0.4725 -0.4725 1.8434 1.8434 1.8850 1.8850 2.2638 2.2638 2.3267 2.3267 2.6254 2.6254 2.6667 2.6667 3.2051 3.2051 3.2415 3.2415 3.4155 3.4155 3.4633 3.4633 3.8706 3.8706 3.9109 3.9109 4.2370 4.2370 4.2940 4.2940 4.7600 4.7600 4.8049 4.8049 5.7309 5.7309 5.7572 5.7572 6.1696 6.1696 6.1942 6.1942 6.8476 6.8476 6.8566 6.8566 7.3218 7.3218 7.3310 7.3310 7.6474 7.6474 7.6528 7.6528 10.7134 10.7134 10.7465 10.7465 14.4164 14.4164 14.4318 14.4318 16.6146 16.6146 16.6740 16.6740 17.8189 17.8189 k = 0.5000-0.2463-0.3333 ( 3660 PWs) bands (ev): -10.8140 -10.8140 -10.8094 -10.8094 -9.3886 -9.3886 -9.3833 -9.3833 -9.1435 -9.1435 -9.1376 -9.1376 -0.4666 -0.4666 -0.4628 -0.4628 1.8341 1.8341 1.8763 1.8763 2.2569 2.2569 2.3188 2.3188 2.6485 2.6485 2.6920 2.6920 3.1989 3.1989 3.2348 3.2348 3.4151 3.4151 3.4674 3.4674 3.8626 3.8626 3.9059 3.9059 4.2425 4.2425 4.3017 4.3017 4.7300 4.7300 4.7761 4.7761 5.7430 5.7430 5.7704 5.7704 6.1802 6.1802 6.2072 6.2072 6.8404 6.8404 6.8499 6.8499 7.3310 7.3310 7.3407 7.3407 7.6431 7.6431 7.6490 7.6490 10.7195 10.7195 10.7527 10.7527 14.4023 14.4023 14.4193 14.4193 16.5938 16.5938 16.6523 16.6523 17.8130 17.8130 k = 0.5000-0.2368-0.3470 ( 3664 PWs) bands (ev): -10.8075 -10.8075 -10.8029 -10.8029 -9.4051 -9.4051 -9.3997 -9.3997 -9.1363 -9.1363 -9.1305 -9.1305 -0.4561 -0.4561 -0.4522 -0.4522 1.8242 1.8242 1.8667 1.8667 2.2510 2.2510 2.3117 2.3117 2.6719 2.6719 2.7178 2.7178 3.1923 3.1923 3.2274 3.2274 3.4149 3.4149 3.4713 3.4713 3.8543 3.8543 3.9002 3.9002 4.2492 4.2492 4.3101 4.3101 4.6983 4.6983 4.7452 4.7452 5.7550 5.7550 5.7830 5.7830 6.1921 6.1921 6.2212 6.2212 6.8330 6.8330 6.8428 6.8428 7.3400 7.3400 7.3500 7.3500 7.6386 7.6386 7.6452 7.6452 10.7266 10.7266 10.7598 10.7598 14.3870 14.3870 14.4056 14.4056 16.5714 16.5714 16.6291 16.6291 17.8072 17.8072 k = 0.5000-0.2273-0.3608 ( 3666 PWs) bands (ev): -10.8003 -10.8003 -10.7957 -10.7957 -9.4222 -9.4222 -9.4167 -9.4167 -9.1293 -9.1293 -9.1236 -9.1236 -0.4448 -0.4448 -0.4407 -0.4407 1.8141 1.8141 1.8566 1.8566 2.2463 2.2463 2.3055 2.3055 2.6951 2.6951 2.7438 2.7438 3.1850 3.1850 3.2199 3.2199 3.4146 3.4146 3.4749 3.4749 3.8459 3.8459 3.8942 3.8942 4.2572 4.2572 4.3194 4.3194 4.6657 4.6657 4.7129 4.7129 5.7666 5.7666 5.7947 5.7947 6.2051 6.2051 6.2360 6.2360 6.8255 6.8255 6.8356 6.8356 7.3485 7.3485 7.3585 7.3585 7.6342 7.6342 7.6415 7.6415 10.7346 10.7346 10.7678 10.7678 14.3708 14.3708 14.3908 14.3908 16.5478 16.5478 16.6048 16.6048 17.8017 17.8017 k = 0.5000-0.2178-0.3745 ( 3662 PWs) bands (ev): -10.7926 -10.7926 -10.7880 -10.7880 -9.4399 -9.4399 -9.4344 -9.4344 -9.1225 -9.1225 -9.1169 -9.1169 -0.4327 -0.4327 -0.4283 -0.4283 1.8038 1.8038 1.8461 1.8461 2.2426 2.2426 2.3004 2.3004 2.7177 2.7177 2.7698 2.7698 3.1769 3.1769 3.2130 3.2130 3.4142 3.4142 3.4784 3.4784 3.8374 3.8374 3.8881 3.8881 4.2663 4.2663 4.3295 4.3295 4.6325 4.6325 4.6796 4.6796 5.7774 5.7774 5.8051 5.8051 6.2190 6.2190 6.2515 6.2515 6.8182 6.8182 6.8284 6.8284 7.3559 7.3559 7.3658 7.3658 7.6300 7.6300 7.6380 7.6380 10.7436 10.7436 10.7769 10.7769 14.3539 14.3539 14.3753 14.3753 16.5234 16.5234 16.5797 16.5797 17.7965 17.7965 k = 0.5000-0.2083-0.3882 ( 3666 PWs) bands (ev): -10.7843 -10.7843 -10.7797 -10.7797 -9.4580 -9.4579 -9.4525 -9.4525 -9.1159 -9.1159 -9.1104 -9.1104 -0.4199 -0.4199 -0.4154 -0.4154 1.7936 1.7936 1.8354 1.8354 2.2399 2.2399 2.2962 2.2962 2.7391 2.7391 2.7955 2.7955 3.1676 3.1676 3.2074 3.2074 3.4134 3.4134 3.4815 3.4815 3.8287 3.8287 3.8822 3.8822 4.2762 4.2762 4.3405 4.3405 4.5993 4.5993 4.6459 4.6459 5.7869 5.7869 5.8140 5.8140 6.2337 6.2337 6.2674 6.2674 6.8112 6.8112 6.8213 6.8213 7.3618 7.3618 7.3715 7.3715 7.6262 7.6262 7.6349 7.6349 10.7537 10.7537 10.7870 10.7870 14.3365 14.3365 14.3592 14.3592 16.4985 16.4985 16.5542 16.5542 17.7919 17.7919 k = 0.5000-0.1988-0.4020 ( 3666 PWs) bands (ev): -10.7756 -10.7756 -10.7710 -10.7710 -9.4764 -9.4764 -9.4709 -9.4709 -9.1096 -9.1096 -9.1041 -9.1041 -0.4066 -0.4066 -0.4019 -0.4019 1.7835 1.7835 1.8247 1.8247 2.2382 2.2382 2.2931 2.2931 2.7590 2.7590 2.8204 2.8204 3.1572 3.1572 3.2034 3.2034 3.4121 3.4121 3.4843 3.4843 3.8201 3.8201 3.8765 3.8765 4.2869 4.2869 4.3524 4.3524 4.5667 4.5667 4.6120 4.6120 5.7950 5.7950 5.8213 5.8213 6.2489 6.2489 6.2836 6.2836 6.8046 6.8046 6.8147 6.8147 7.3659 7.3659 7.3752 7.3752 7.6229 7.6229 7.6323 7.6323 10.7649 10.7649 10.7981 10.7981 14.3188 14.3188 14.3427 14.3427 16.4732 16.4732 16.5285 16.5285 17.7879 17.7879 k = 0.5000-0.1892-0.4157 ( 3666 PWs) bands (ev): -10.7665 -10.7665 -10.7619 -10.7619 -9.4950 -9.4950 -9.4895 -9.4895 -9.1034 -9.1034 -9.0981 -9.0981 -0.3929 -0.3929 -0.3880 -0.3880 1.7737 1.7737 1.8142 1.8142 2.2374 2.2374 2.2911 2.2911 2.7770 2.7770 2.8443 2.8443 3.1462 3.1462 3.2012 3.2012 3.4104 3.4104 3.4868 3.4868 3.8115 3.8115 3.8711 3.8711 4.2976 4.2976 4.3650 4.3650 4.5357 4.5357 4.5787 4.5787 5.8013 5.8013 5.8268 5.8268 6.2645 6.2645 6.2997 6.2997 6.7985 6.7985 6.8086 6.8086 7.3679 7.3679 7.3769 7.3769 7.6200 7.6200 7.6301 7.6301 10.7772 10.7772 10.8104 10.8104 14.3011 14.3011 14.3261 14.3261 16.4480 16.4480 16.5030 16.5030 17.7847 17.7847 k = 0.5000-0.1797-0.4295 ( 3664 PWs) bands (ev): -10.7571 -10.7571 -10.7525 -10.7525 -9.5137 -9.5137 -9.5083 -9.5083 -9.0976 -9.0976 -9.0924 -9.0924 -0.3790 -0.3790 -0.3739 -0.3739 1.7643 1.7643 1.8041 1.8041 2.2374 2.2374 2.2900 2.2900 2.7927 2.7927 2.8667 2.8667 3.1352 3.1352 3.2009 3.2009 3.4082 3.4082 3.4890 3.4890 3.8031 3.8031 3.8660 3.8660 4.3076 4.3076 4.3779 4.3779 4.5072 4.5072 4.5467 4.5468 5.8057 5.8057 5.8304 5.8304 6.2800 6.2800 6.3156 6.3156 6.7932 6.7932 6.8032 6.8032 7.3677 7.3677 7.3765 7.3765 7.6176 7.6176 7.6283 7.6283 10.7906 10.7906 10.8237 10.8237 14.2836 14.2836 14.3095 14.3095 16.4231 16.4231 16.4778 16.4778 17.7825 17.7825 k = 0.5000-0.1702-0.4432 ( 3666 PWs) bands (ev): -10.7475 -10.7475 -10.7429 -10.7429 -9.5323 -9.5323 -9.5270 -9.5270 -9.0919 -9.0919 -9.0869 -9.0869 -0.3649 -0.3649 -0.3596 -0.3596 1.7554 1.7554 1.7944 1.7944 2.2382 2.2382 2.2900 2.2900 2.8057 2.8057 2.8868 2.8868 3.1247 3.1247 3.2022 3.2022 3.4056 3.4056 3.4909 3.4909 3.7950 3.7950 3.8612 3.8612 4.3152 4.3152 4.3897 4.3897 4.4835 4.4835 4.5175 4.5175 5.8080 5.8080 5.8321 5.8321 6.2952 6.2952 6.3309 6.3309 6.7888 6.7888 6.7986 6.7987 7.3652 7.3652 7.3739 7.3739 7.6154 7.6154 7.6267 7.6267 10.8051 10.8051 10.8381 10.8381 14.2665 14.2665 14.2931 14.2931 16.3986 16.3986 16.4531 16.4531 17.7812 17.7812 k = 0.5000-0.1607-0.4569 ( 3666 PWs) bands (ev): -10.7377 -10.7377 -10.7331 -10.7331 -9.5508 -9.5508 -9.5455 -9.5455 -9.0865 -9.0865 -9.0816 -9.0816 -0.3508 -0.3508 -0.3453 -0.3453 1.7472 1.7472 1.7854 1.7854 2.2397 2.2397 2.2909 2.2909 2.8160 2.8160 2.9039 2.9039 3.1158 3.1158 3.2052 3.2052 3.4026 3.4026 3.4926 3.4926 3.7875 3.7875 3.8566 3.8566 4.3179 4.3179 4.3971 4.3971 4.4674 4.4674 4.4942 4.4942 5.8082 5.8082 5.8320 5.8320 6.3099 6.3099 6.3454 6.3454 6.7854 6.7854 6.7951 6.7951 7.3605 7.3605 7.3694 7.3694 7.6132 7.6132 7.6250 7.6250 10.8208 10.8208 10.8537 10.8537 14.2499 14.2499 14.2771 14.2771 16.3748 16.3748 16.4292 16.4292 17.7811 17.7811 k = 0.5000-0.1512-0.4707 ( 3674 PWs) bands (ev): -10.7280 -10.7280 -10.7234 -10.7234 -9.5689 -9.5689 -9.5638 -9.5638 -9.0814 -9.0814 -9.0766 -9.0766 -0.3368 -0.3368 -0.3312 -0.3312 1.7397 1.7397 1.7771 1.7771 2.2418 2.2418 2.2928 2.2928 2.8233 2.8233 2.9171 2.9171 3.1090 3.1090 3.2094 3.2094 3.3995 3.3995 3.4940 3.4940 3.7807 3.7807 3.8521 3.8521 4.3130 4.3130 4.3940 4.3940 4.4616 4.4616 4.4833 4.4833 5.8062 5.8062 5.8302 5.8302 6.3238 6.3238 6.3588 6.3588 6.7831 6.7831 6.7927 6.7927 7.3537 7.3537 7.3630 7.3630 7.6108 7.6108 7.6230 7.6230 10.8375 10.8375 10.8703 10.8703 14.2340 14.2340 14.2617 14.2617 16.3519 16.3519 16.4061 16.4061 17.7822 17.7822 k = 0.5000-0.1417-0.4844 ( 3672 PWs) bands (ev): -10.7183 -10.7183 -10.7137 -10.7137 -9.5866 -9.5866 -9.5816 -9.5816 -9.0765 -9.0765 -9.0719 -9.0718 -0.3231 -0.3231 -0.3173 -0.3173 1.7329 1.7329 1.7696 1.7696 2.2447 2.2447 2.2955 2.2955 2.8279 2.8279 2.9258 2.9258 3.1052 3.1052 3.2147 3.2147 3.3963 3.3963 3.4952 3.4952 3.7746 3.7746 3.8479 3.8479 4.3001 4.3001 4.3781 4.3781 4.4653 4.4653 4.4885 4.4885 5.8022 5.8022 5.8267 5.8267 6.3367 6.3367 6.3709 6.3709 6.7821 6.7821 6.7916 6.7916 7.3452 7.3452 7.3551 7.3551 7.6080 7.6080 7.6204 7.6204 10.8554 10.8554 10.8880 10.8880 14.2190 14.2190 14.2470 14.2470 16.3299 16.3299 16.3841 16.3841 17.7845 17.7845 k = 0.5000-0.1322-0.4981 ( 3676 PWs) bands (ev): -10.7088 -10.7088 -10.7043 -10.7043 -9.6037 -9.6037 -9.5987 -9.5987 -9.0719 -9.0719 -9.0673 -9.0673 -0.3097 -0.3097 -0.3038 -0.3038 1.7271 1.7271 1.7631 1.7631 2.2482 2.2482 2.2991 2.2991 2.8297 2.8297 2.9295 2.9295 3.1045 3.1045 3.2206 3.2206 3.3934 3.3934 3.4964 3.4964 3.7695 3.7695 3.8439 3.8439 4.2817 4.2818 4.3550 4.3550 4.4766 4.4766 4.5035 4.5035 5.7962 5.7962 5.8216 5.8216 6.3483 6.3483 6.3814 6.3814 6.7824 6.7824 6.7916 6.7916 7.3351 7.3351 7.3458 7.3458 7.6044 7.6044 7.6170 7.6170 10.8742 10.8742 10.9066 10.9066 14.2050 14.2050 14.2331 14.2331 16.3091 16.3091 16.3633 16.3633 17.7880 17.7880 k = 0.5000-0.1226-0.5119 ( 3672 PWs) bands (ev): -10.6997 -10.6997 -10.6952 -10.6952 -9.6200 -9.6200 -9.6151 -9.6151 -9.0675 -9.0675 -9.0631 -9.0631 -0.2968 -0.2968 -0.2909 -0.2909 1.7221 1.7221 1.7576 1.7576 2.2523 2.2523 2.3035 2.3035 2.8290 2.8290 2.9287 2.9287 3.1064 3.1064 3.2267 3.2267 3.3908 3.3908 3.4976 3.4976 3.7654 3.7654 3.8402 3.8402 4.2607 4.2607 4.3295 4.3295 4.4933 4.4933 4.5231 4.5231 5.7884 5.7884 5.8152 5.8152 6.3583 6.3583 6.3901 6.3901 6.7841 6.7841 6.7930 6.7930 7.3236 7.3236 7.3354 7.3354 7.5999 7.5999 7.6126 7.6126 10.8941 10.8941 10.9262 10.9262 14.1921 14.1921 14.2201 14.2202 16.2895 16.2895 16.3437 16.3437 17.7928 17.7928 k = 0.5000-0.1131-0.5256 ( 3682 PWs) bands (ev): -10.6911 -10.6911 -10.6867 -10.6867 -9.6353 -9.6353 -9.6306 -9.6306 -9.0634 -9.0634 -9.0591 -9.0591 -0.2846 -0.2846 -0.2785 -0.2785 1.7182 1.7182 1.7531 1.7531 2.2570 2.2570 2.3085 2.3085 2.8261 2.8261 2.9243 2.9243 3.1098 3.1098 3.2324 3.2324 3.3888 3.3888 3.4988 3.4988 3.7625 3.7625 3.8370 3.8370 4.2388 4.2388 4.3037 4.3037 4.5134 4.5134 4.5449 4.5449 5.7791 5.7791 5.8075 5.8075 6.3667 6.3667 6.3969 6.3969 6.7870 6.7870 6.7956 6.7956 7.3110 7.3110 7.3240 7.3240 7.5944 7.5944 7.6071 7.6071 10.9149 10.9149 10.9466 10.9466 14.1803 14.1803 14.2082 14.2082 16.2712 16.2712 16.3254 16.3254 17.7988 17.7988 k = 0.5000-0.1036-0.5394 ( 3676 PWs) bands (ev): -10.6831 -10.6831 -10.6787 -10.6787 -9.6495 -9.6495 -9.6449 -9.6449 -9.0595 -9.0595 -9.0553 -9.0553 -0.2730 -0.2730 -0.2669 -0.2669 1.7152 1.7152 1.7498 1.7498 2.2622 2.2622 2.3142 2.3142 2.8213 2.8213 2.9173 2.9173 3.1135 3.1135 3.2374 3.2374 3.3876 3.3876 3.5002 3.5002 3.7607 3.7607 3.8344 3.8344 4.2172 4.2172 4.2784 4.2784 4.5356 4.5356 4.5682 4.5682 5.7686 5.7686 5.7987 5.7987 6.3732 6.3732 6.4018 6.4018 6.7911 6.7912 6.7994 6.7994 7.2973 7.2973 7.3117 7.3117 7.5879 7.5879 7.6006 7.6006 10.9364 10.9364 10.9678 10.9678 14.1698 14.1698 14.1973 14.1973 16.2544 16.2544 16.3086 16.3086 17.8058 17.8058 k = 0.5000-0.0941-0.5531 ( 3676 PWs) bands (ev): -10.6758 -10.6758 -10.6716 -10.6716 -9.6624 -9.6624 -9.6579 -9.6579 -9.0558 -9.0558 -9.0518 -9.0518 -0.2622 -0.2622 -0.2561 -0.2561 1.7134 1.7134 1.7476 1.7476 2.2680 2.2680 2.3204 2.3204 2.8149 2.8149 2.9087 2.9087 3.1166 3.1166 3.2412 3.2412 3.3872 3.3872 3.5015 3.5015 3.7602 3.7602 3.8325 3.8325 4.1966 4.1966 4.2542 4.2542 4.5591 4.5591 4.5922 4.5922 5.7570 5.7570 5.7891 5.7891 6.3779 6.3779 6.4046 6.4046 6.7963 6.7963 6.8043 6.8043 7.2827 7.2827 7.2985 7.2985 7.5806 7.5806 7.5931 7.5931 10.9586 10.9586 10.9896 10.9896 14.1604 14.1604 14.1874 14.1874 16.2391 16.2391 16.2933 16.2933 17.8138 17.8138 k = 0.5000-0.0846-0.5668 ( 3682 PWs) bands (ev): -10.6695 -10.6695 -10.6653 -10.6653 -9.6738 -9.6738 -9.6695 -9.6695 -9.0524 -9.0524 -9.0485 -9.0485 -0.2523 -0.2523 -0.2462 -0.2462 1.7126 1.7126 1.7466 1.7466 2.2741 2.2741 2.3270 2.3270 2.8073 2.8073 2.8992 2.8992 3.1185 3.1185 3.2434 3.2434 3.3874 3.3874 3.5027 3.5027 3.7609 3.7609 3.8316 3.8316 4.1773 4.1773 4.2312 4.2312 4.5832 4.5832 4.6165 4.6165 5.7448 5.7448 5.7787 5.7787 6.3806 6.3806 6.4055 6.4055 6.8023 6.8023 6.8102 6.8102 7.2671 7.2671 7.2845 7.2845 7.5726 7.5726 7.5850 7.5850 10.9813 10.9813 11.0118 11.0118 14.1521 14.1521 14.1786 14.1786 16.2255 16.2255 16.2797 16.2797 17.8226 17.8226 k = 0.5000-0.0751-0.5806 ( 3674 PWs) bands (ev): -10.6642 -10.6642 -10.6602 -10.6602 -9.6836 -9.6836 -9.6794 -9.6794 -9.0493 -9.0493 -9.0455 -9.0455 -0.2433 -0.2433 -0.2373 -0.2373 1.7131 1.7131 1.7469 1.7469 2.2807 2.2807 2.3340 2.3340 2.7988 2.7988 2.8894 2.8894 3.1189 3.1189 3.2441 3.2441 3.3881 3.3881 3.5036 3.5036 3.7627 3.7627 3.8317 3.8317 4.1597 4.1597 4.2097 4.2097 4.6075 4.6075 4.6410 4.6410 5.7322 5.7322 5.7680 5.7680 6.3813 6.3813 6.4044 6.4044 6.8089 6.8089 6.8169 6.8169 7.2506 7.2506 7.2698 7.2698 7.5643 7.5643 7.5765 7.5765 11.0044 11.0044 11.0343 11.0343 14.1450 14.1450 14.1708 14.1708 16.2136 16.2136 16.2677 16.2677 17.8320 17.8320 k = 0.5000-0.0655-0.5943 ( 3676 PWs) bands (ev): -10.6601 -10.6601 -10.6562 -10.6562 -9.6916 -9.6916 -9.6876 -9.6876 -9.0465 -9.0465 -9.0428 -9.0428 -0.2354 -0.2354 -0.2294 -0.2294 1.7147 1.7147 1.7485 1.7485 2.2876 2.2876 2.3412 2.3412 2.7897 2.7897 2.8796 2.8796 3.1178 3.1178 3.2430 3.2430 3.3889 3.3889 3.5041 3.5041 3.7654 3.7654 3.8328 3.8328 4.1439 4.1439 4.1899 4.1899 4.6315 4.6315 4.6651 4.6651 5.7195 5.7195 5.7571 5.7571 6.3800 6.3800 6.4012 6.4012 6.8160 6.8160 6.8241 6.8241 7.2332 7.2332 7.2541 7.2541 7.5559 7.5559 7.5679 7.5679 11.0276 11.0276 11.0569 11.0569 14.1390 14.1390 14.1639 14.1639 16.2036 16.2036 16.2575 16.2575 17.8416 17.8416 k = 0.5000-0.0560-0.6081 ( 3682 PWs) bands (ev): -10.6573 -10.6573 -10.6535 -10.6535 -9.6977 -9.6977 -9.6939 -9.6939 -9.0439 -9.0439 -9.0404 -9.0403 -0.2285 -0.2285 -0.2227 -0.2227 1.7175 1.7175 1.7513 1.7513 2.2946 2.2946 2.3485 2.3485 2.7803 2.7803 2.8699 2.8699 3.1154 3.1154 3.2402 3.2402 3.3895 3.3895 3.5040 3.5040 3.7688 3.7688 3.8348 3.8348 4.1303 4.1303 4.1721 4.1721 4.6548 4.6548 4.6887 4.6887 5.7071 5.7071 5.7462 5.7462 6.3766 6.3766 6.3962 6.3962 6.8232 6.8232 6.8317 6.8317 7.2149 7.2149 7.2376 7.2376 7.5480 7.5480 7.5598 7.5598 11.0508 11.0508 11.0794 11.0794 14.1339 14.1339 14.1580 14.1580 16.1955 16.1955 16.2493 16.2493 17.8514 17.8514 k = 0.5000-0.0465-0.6218 ( 3684 PWs) bands (ev): -10.6558 -10.6558 -10.6522 -10.6522 -9.7018 -9.7018 -9.6983 -9.6983 -9.0416 -9.0416 -9.0382 -9.0382 -0.2227 -0.2227 -0.2170 -0.2170 1.7216 1.7216 1.7555 1.7555 2.3018 2.3018 2.3557 2.3557 2.7711 2.7711 2.8606 2.8606 3.1119 3.1119 3.2359 3.2359 3.3895 3.3895 3.5030 3.5030 3.7725 3.7725 3.8375 3.8375 4.1189 4.1189 4.1565 4.1565 4.6771 4.6771 4.7114 4.7114 5.6951 5.6951 5.7355 5.7355 6.3712 6.3712 6.3892 6.3892 6.8305 6.8305 6.8394 6.8394 7.1958 7.1958 7.2202 7.2202 7.5409 7.5409 7.5526 7.5526 11.0737 11.0737 11.1016 11.1016 14.1297 14.1297 14.1528 14.1528 16.1895 16.1895 16.2430 16.2430 17.8608 17.8608 k = 0.5000-0.0370-0.6355 ( 3690 PWs) bands (ev): -10.6558 -10.6558 -10.6523 -10.6523 -9.7039 -9.7039 -9.7005 -9.7005 -9.0396 -9.0396 -9.0363 -9.0363 -0.2181 -0.2181 -0.2125 -0.2125 1.7270 1.7270 1.7610 1.7610 2.3089 2.3089 2.3627 2.3627 2.7623 2.7623 2.8518 2.8518 3.1076 3.1076 3.2302 3.2302 3.3887 3.3887 3.5011 3.5011 3.7762 3.7762 3.8404 3.8404 4.1098 4.1098 4.1436 4.1436 4.6981 4.6981 4.7331 4.7331 5.6838 5.6838 5.7253 5.7253 6.3636 6.3636 6.3803 6.3803 6.8376 6.8376 6.8468 6.8468 7.1762 7.1762 7.2021 7.2021 7.5352 7.5352 7.5466 7.5466 11.0962 11.0962 11.1233 11.1233 14.1262 14.1262 14.1483 14.1483 16.1857 16.1857 16.2389 16.2389 17.8698 17.8698 k = 0.7601 0.1048-0.2580 ( 3690 PWs) bands (ev): -10.6558 -10.6558 -10.6523 -10.6523 -9.7039 -9.7039 -9.7005 -9.7005 -9.0396 -9.0396 -9.0363 -9.0363 -0.2181 -0.2181 -0.2125 -0.2125 1.7270 1.7270 1.7610 1.7610 2.3089 2.3089 2.3627 2.3627 2.7623 2.7623 2.8518 2.8518 3.1076 3.1076 3.2302 3.2302 3.3887 3.3887 3.5011 3.5011 3.7762 3.7762 3.8404 3.8404 4.1098 4.1098 4.1436 4.1436 4.6981 4.6981 4.7331 4.7331 5.6838 5.6838 5.7253 5.7253 6.3636 6.3636 6.3803 6.3803 6.8376 6.8376 6.8468 6.8468 7.1762 7.1762 7.2021 7.2021 7.5352 7.5352 7.5466 7.5466 11.0962 11.0962 11.1233 11.1233 14.1262 14.1262 14.1483 14.1483 16.1857 16.1857 16.2389 16.2389 17.8698 17.8698 k = 0.7522 0.1098-0.2445 ( 3690 PWs) bands (ev): -10.6571 -10.6571 -10.6539 -10.6539 -9.7038 -9.7038 -9.7007 -9.7007 -9.0378 -9.0378 -9.0347 -9.0347 -0.2146 -0.2146 -0.2091 -0.2091 1.7336 1.7336 1.7678 1.7679 2.3158 2.3158 2.3692 2.3692 2.7542 2.7542 2.8437 2.8437 3.1030 3.1030 3.2236 3.2236 3.3870 3.3870 3.4982 3.4982 3.7792 3.7792 3.8430 3.8430 4.1030 4.1030 4.1342 4.1342 4.7175 4.7175 4.7534 4.7534 5.6735 5.6735 5.7158 5.7158 6.3540 6.3540 6.3696 6.3696 6.8440 6.8440 6.8534 6.8534 7.1568 7.1568 7.1840 7.1840 7.5310 7.5311 7.5423 7.5423 11.1176 11.1176 11.1439 11.1439 14.1233 14.1233 14.1445 14.1445 16.1842 16.1842 16.2371 16.2371 17.8778 17.8778 k = 0.7443 0.1149-0.2309 ( 3682 PWs) bands (ev): -10.6599 -10.6599 -10.6568 -10.6568 -9.7017 -9.7017 -9.6988 -9.6988 -9.0364 -9.0364 -9.0334 -9.0334 -0.2122 -0.2122 -0.2069 -0.2069 1.7414 1.7414 1.7760 1.7760 2.3225 2.3225 2.3752 2.3752 2.7471 2.7471 2.8362 2.8362 3.0982 3.0982 3.2160 3.2160 3.3842 3.3842 3.4944 3.4944 3.7813 3.7813 3.8447 3.8448 4.0983 4.0983 4.1285 4.1285 4.7354 4.7354 4.7723 4.7723 5.6641 5.6641 5.7069 5.7069 6.3423 6.3423 6.3569 6.3569 6.8495 6.8495 6.8589 6.8589 7.1381 7.1381 7.1661 7.1661 7.5288 7.5288 7.5399 7.5399 11.1382 11.1382 11.1636 11.1636 14.1209 14.1209 14.1411 14.1411 16.1850 16.1850 16.2375 16.2375 17.8848 17.8848 k = 0.7364 0.1200-0.2174 ( 3686 PWs) bands (ev): -10.6640 -10.6640 -10.6612 -10.6612 -9.6976 -9.6976 -9.6949 -9.6949 -9.0353 -9.0353 -9.0324 -9.0324 -0.2109 -0.2109 -0.2058 -0.2058 1.7505 1.7505 1.7855 1.7855 2.3288 2.3288 2.3805 2.3805 2.7410 2.7410 2.8294 2.8295 3.0935 3.0935 3.2076 3.2076 3.3803 3.3803 3.4895 3.4895 3.7820 3.7820 3.8451 3.8451 4.0955 4.0955 4.1267 4.1267 4.7518 4.7518 4.7898 4.7898 5.6555 5.6555 5.6984 5.6984 6.3284 6.3284 6.3421 6.3421 6.8534 6.8534 6.8624 6.8624 7.1210 7.1210 7.1494 7.1494 7.5284 7.5284 7.5394 7.5394 11.1576 11.1576 11.1820 11.1820 14.1188 14.1188 14.1380 14.1380 16.1884 16.1884 16.2403 16.2403 17.8905 17.8905 k = 0.7286 0.1251-0.2039 ( 3686 PWs) bands (ev): -10.6694 -10.6694 -10.6668 -10.6668 -9.6915 -9.6915 -9.6890 -9.6890 -9.0345 -9.0345 -9.0317 -9.0317 -0.2106 -0.2106 -0.2058 -0.2058 1.7609 1.7609 1.7963 1.7963 2.3346 2.3346 2.3849 2.3849 2.7362 2.7362 2.8235 2.8235 3.0889 3.0889 3.1987 3.1987 3.3755 3.3755 3.4837 3.4837 3.7812 3.7812 3.8438 3.8438 4.0949 4.0949 4.1289 4.1289 4.7668 4.7668 4.8060 4.8060 5.6476 5.6476 5.6905 5.6905 6.3122 6.3122 6.3253 6.3253 6.8551 6.8551 6.8630 6.8630 7.1071 7.1071 7.1351 7.1351 7.5301 7.5301 7.5408 7.5408 11.1757 11.1757 11.1991 11.1991 14.1168 14.1168 14.1352 14.1352 16.1943 16.1943 16.2456 16.2456 17.8949 17.8949 k = 0.7207 0.1302-0.1903 ( 3686 PWs) bands (ev): -10.6761 -10.6761 -10.6737 -10.6737 -9.6836 -9.6836 -9.6813 -9.6813 -9.0340 -9.0340 -9.0313 -9.0313 -0.2114 -0.2114 -0.2068 -0.2068 1.7726 1.7726 1.8085 1.8085 2.3398 2.3398 2.3884 2.3884 2.7328 2.7328 2.8185 2.8185 3.0847 3.0847 3.1893 3.1893 3.3697 3.3697 3.4770 3.4770 3.7788 3.7788 3.8405 3.8405 4.0964 4.0964 4.1341 4.1341 4.7806 4.7806 4.8210 4.8210 5.6403 5.6403 5.6828 5.6828 6.2939 6.2939 6.3063 6.3063 6.8535 6.8535 6.8596 6.8596 7.0979 7.0979 7.1245 7.1245 7.5337 7.5337 7.5442 7.5442 11.1922 11.1922 11.2147 11.2147 14.1149 14.1149 14.1325 14.1325 16.2029 16.2029 16.2534 16.2534 17.8977 17.8977 k = 0.7128 0.1353-0.1768 ( 3692 PWs) bands (ev): -10.6839 -10.6839 -10.6817 -10.6817 -9.6739 -9.6739 -9.6718 -9.6718 -9.0339 -9.0339 -9.0313 -9.0313 -0.2133 -0.2133 -0.2089 -0.2089 1.7855 1.7855 1.8220 1.8220 2.3442 2.3442 2.3907 2.3907 2.7308 2.7308 2.8145 2.8145 3.0809 3.0809 3.1795 3.1795 3.3630 3.3630 3.4696 3.4696 3.7749 3.7749 3.8351 3.8351 4.1001 4.1001 4.1418 4.1418 4.7934 4.7934 4.8348 4.8348 5.6331 5.6331 5.6750 5.6750 6.2734 6.2734 6.2852 6.2852 6.8475 6.8475 6.8519 6.8519 7.0947 7.0947 7.1190 7.1190 7.5391 7.5391 7.5494 7.5494 11.2070 11.2070 11.2285 11.2285 14.1129 14.1129 14.1297 14.1297 16.2143 16.2143 16.2640 16.2640 17.8989 17.8989 k = 0.7049 0.1403-0.1632 ( 3694 PWs) bands (ev): -10.6927 -10.6927 -10.6906 -10.6906 -9.6625 -9.6625 -9.6606 -9.6606 -9.0341 -9.0341 -9.0315 -9.0315 -0.2160 -0.2160 -0.2118 -0.2118 1.7996 1.7996 1.8368 1.8368 2.3478 2.3478 2.3919 2.3919 2.7304 2.7304 2.8116 2.8116 3.0775 3.0775 3.1695 3.1695 3.3555 3.3555 3.4615 3.4615 3.7698 3.7698 3.8280 3.8280 4.1058 4.1058 4.1512 4.1512 4.8055 4.8055 4.8477 4.8477 5.6259 5.6259 5.6669 5.6669 6.2509 6.2509 6.2622 6.2622 6.8358 6.8358 6.8405 6.8405 7.0980 7.0980 7.1196 7.1196 7.5462 7.5462 7.5563 7.5563 11.2199 11.2199 11.2403 11.2403 14.1107 14.1107 14.1269 14.1269 16.2286 16.2286 16.2773 16.2773 17.8986 17.8986 k = 0.6970 0.1454-0.1497 ( 3696 PWs) bands (ev): -10.7023 -10.7023 -10.7005 -10.7005 -9.6497 -9.6497 -9.6479 -9.6479 -9.0346 -9.0346 -9.0322 -9.0322 -0.2197 -0.2197 -0.2157 -0.2157 1.8149 1.8149 1.8529 1.8529 2.3505 2.3505 2.3920 2.3920 2.7314 2.7314 2.8098 2.8098 3.0747 3.0747 3.1594 3.1594 3.3473 3.3473 3.4529 3.4529 3.7639 3.7639 3.8194 3.8194 4.1128 4.1128 4.1614 4.1614 4.8171 4.8171 4.8598 4.8598 5.6181 5.6181 5.6581 5.6581 6.2267 6.2267 6.2375 6.2375 6.8189 6.8189 6.8259 6.8259 7.1076 7.1076 7.1264 7.1264 7.5548 7.5548 7.5646 7.5646 11.2308 11.2308 11.2501 11.2501 14.1081 14.1081 14.1239 14.1239 16.2458 16.2458 16.2934 16.2934 17.8967 17.8967 k = 0.6891 0.1505-0.1362 ( 3692 PWs) bands (ev): -10.7127 -10.7127 -10.7111 -10.7111 -9.6355 -9.6355 -9.6338 -9.6338 -9.0355 -9.0355 -9.0332 -9.0332 -0.2242 -0.2242 -0.2204 -0.2204 1.8314 1.8314 1.8702 1.8702 2.3522 2.3522 2.3911 2.3911 2.7338 2.7338 2.8092 2.8092 3.0723 3.0723 3.1493 3.1493 3.3384 3.3384 3.4440 3.4440 3.7575 3.7575 3.8099 3.8099 4.1207 4.1207 4.1720 4.1720 4.8283 4.8283 4.8715 4.8715 5.6093 5.6093 5.6481 5.6481 6.2011 6.2011 6.2116 6.2116 6.7985 6.7985 6.8081 6.8081 7.1229 7.1229 7.1391 7.1391 7.5646 7.5646 7.5742 7.5742 11.2395 11.2395 11.2578 11.2578 14.1053 14.1053 14.1207 14.1207 16.2659 16.2659 16.3124 16.3124 17.8933 17.8933 k = 0.6813 0.1556-0.1226 ( 3700 PWs) bands (ev): -10.7237 -10.7237 -10.7222 -10.7222 -9.6201 -9.6201 -9.6186 -9.6186 -9.0368 -9.0368 -9.0346 -9.0346 -0.2294 -0.2294 -0.2259 -0.2259 1.8490 1.8490 1.8886 1.8886 2.3530 2.3530 2.3891 2.3891 2.7373 2.7373 2.8098 2.8098 3.0703 3.0703 3.1391 3.1391 3.3288 3.3288 3.4347 3.4347 3.7509 3.7509 3.7999 3.7999 4.1289 4.1289 4.1824 4.1824 4.8394 4.8394 4.8828 4.8828 5.5991 5.5991 5.6365 5.6365 6.1747 6.1747 6.1849 6.1849 6.7757 6.7757 6.7877 6.7877 7.1429 7.1429 7.1571 7.1571 7.5755 7.5755 7.5848 7.5849 11.2460 11.2460 11.2632 11.2632 14.1020 14.1020 14.1171 14.1171 16.2891 16.2891 16.3342 16.3342 17.8886 17.8886 k = 0.6734 0.1607-0.1091 ( 3700 PWs) bands (ev): -10.7352 -10.7352 -10.7338 -10.7338 -9.6036 -9.6036 -9.6023 -9.6023 -9.0385 -9.0385 -9.0364 -9.0364 -0.2353 -0.2353 -0.2320 -0.2320 1.8676 1.8676 1.9082 1.9082 2.3528 2.3528 2.3863 2.3863 2.7419 2.7419 2.8117 2.8117 3.0686 3.0686 3.1290 3.1290 3.3187 3.3187 3.4252 3.4252 3.7444 3.7444 3.7900 3.7900 4.1370 4.1370 4.1921 4.1921 4.8504 4.8504 4.8939 4.8939 5.5869 5.5869 5.6230 5.6230 6.1478 6.1478 6.1583 6.1583 6.7516 6.7516 6.7656 6.7656 7.1670 7.1670 7.1795 7.1795 7.5873 7.5873 7.5964 7.5964 11.2502 11.2502 11.2663 11.2663 14.0982 14.0982 14.1131 14.1131 16.3152 16.3152 16.3589 16.3589 17.8826 17.8826 k = 0.6655 0.1657-0.0955 ( 3690 PWs) bands (ev): -10.7470 -10.7470 -10.7458 -10.7458 -9.5863 -9.5863 -9.5850 -9.5850 -9.0405 -9.0405 -9.0385 -9.0385 -0.2418 -0.2418 -0.2387 -0.2387 1.8872 1.8872 1.9287 1.9287 2.3518 2.3518 2.3827 2.3827 2.7473 2.7473 2.8148 2.8148 3.0670 3.0670 3.1192 3.1192 3.3079 3.3079 3.4156 3.4156 3.7382 3.7382 3.7808 3.7808 4.1446 4.1446 4.2010 4.2010 4.8612 4.8612 4.9045 4.9045 5.5726 5.5726 5.6072 5.6072 6.1213 6.1213 6.1325 6.1325 6.7268 6.7268 6.7422 6.7422 7.1945 7.1945 7.2056 7.2056 7.5998 7.5998 7.6086 7.6086 11.2521 11.2521 11.2672 11.2672 14.0940 14.0940 14.1087 14.1087 16.3444 16.3444 16.3865 16.3865 17.8755 17.8755 k = 0.6576 0.1708-0.0820 ( 3686 PWs) bands (ev): -10.7590 -10.7590 -10.7579 -10.7579 -9.5681 -9.5681 -9.5670 -9.5670 -9.0430 -9.0430 -9.0411 -9.0411 -0.2488 -0.2488 -0.2459 -0.2459 1.9076 1.9076 1.9501 1.9501 2.3499 2.3499 2.3786 2.3786 2.7533 2.7533 2.8190 2.8190 3.0652 3.0652 3.1097 3.1097 3.2964 3.2964 3.4059 3.4059 3.7327 3.7327 3.7728 3.7728 4.1514 4.1514 4.2086 4.2086 4.8714 4.8714 4.9145 4.9145 5.5558 5.5558 5.5892 5.5892 6.0957 6.0957 6.1083 6.1083 6.7015 6.7015 6.7181 6.7181 7.2247 7.2247 7.2349 7.2349 7.6127 7.6127 7.6213 7.6213 11.2518 11.2518 11.2658 11.2658 14.0893 14.0893 14.1038 14.1038 16.3764 16.3764 16.4169 16.4169 17.8675 17.8675 k = 0.6497 0.1759-0.0685 ( 3684 PWs) bands (ev): -10.7710 -10.7710 -10.7701 -10.7701 -9.5494 -9.5494 -9.5483 -9.5483 -9.0459 -9.0459 -9.0441 -9.0441 -0.2563 -0.2563 -0.2536 -0.2536 1.9288 1.9288 1.9723 1.9723 2.3472 2.3472 2.3739 2.3739 2.7597 2.7597 2.8242 2.8242 3.0629 3.0629 3.1008 3.1008 3.2844 3.2844 3.3960 3.3960 3.7279 3.7279 3.7666 3.7666 4.1574 4.1574 4.2150 4.2150 4.8806 4.8806 4.9234 4.9234 5.5366 5.5366 5.5689 5.5689 6.0720 6.0720 6.0863 6.0863 6.6761 6.6761 6.6936 6.6936 7.2573 7.2573 7.2667 7.2667 7.6260 7.6260 7.6343 7.6343 11.2493 11.2493 11.2623 11.2623 14.0842 14.0842 14.0985 14.0985 16.4113 16.4113 16.4500 16.4500 17.8586 17.8586 k = 0.6419 0.1810-0.0549 ( 3684 PWs) bands (ev): -10.7831 -10.7831 -10.7822 -10.7822 -9.5302 -9.5302 -9.5291 -9.5291 -9.0493 -9.0493 -9.0476 -9.0476 -0.2641 -0.2641 -0.2615 -0.2615 1.9506 1.9506 1.9951 1.9951 2.3439 2.3439 2.3688 2.3688 2.7665 2.7665 2.8304 2.8304 3.0598 3.0598 3.0928 3.0928 3.2717 3.2717 3.3858 3.3858 3.7242 3.7242 3.7628 3.7628 4.1624 4.1624 4.2200 4.2200 4.8882 4.8882 4.9305 4.9305 5.5155 5.5155 5.5470 5.5470 6.0506 6.0506 6.0670 6.0670 6.6506 6.6506 6.6688 6.6688 7.2918 7.2918 7.3005 7.3005 7.6394 7.6394 7.6475 7.6475 11.2446 11.2446 11.2567 11.2567 14.0787 14.0787 14.0928 14.0928 16.4489 16.4489 16.4858 16.4858 17.8491 17.8491 k = 0.6340 0.1861-0.0414 ( 3676 PWs) bands (ev): -10.7949 -10.7949 -10.7942 -10.7942 -9.5105 -9.5105 -9.5096 -9.5096 -9.0531 -9.0531 -9.0515 -9.0515 -0.2721 -0.2721 -0.2697 -0.2697 1.9730 1.9730 2.0184 2.0184 2.3401 2.3401 2.3636 2.3636 2.7736 2.7736 2.8373 2.8373 3.0555 3.0555 3.0860 3.0860 3.2585 3.2585 3.3753 3.3753 3.7220 3.7220 3.7618 3.7618 4.1665 4.1665 4.2238 4.2238 4.8931 4.8931 4.9349 4.9349 5.4933 5.4933 5.5241 5.5241 6.0323 6.0323 6.0507 6.0507 6.6252 6.6252 6.6438 6.6438 7.3278 7.3278 7.3359 7.3359 7.6529 7.6529 7.6607 7.6607 11.2380 11.2380 11.2491 11.2491 14.0727 14.0727 14.0866 14.0866 16.4891 16.4891 16.5241 16.5241 17.8389 17.8390 k = 0.6261 0.1912-0.0279 ( 3680 PWs) bands (ev): -10.8066 -10.8066 -10.8060 -10.8060 -9.4907 -9.4907 -9.4898 -9.4898 -9.0574 -9.0574 -9.0559 -9.0559 -0.2803 -0.2803 -0.2780 -0.2780 1.9957 1.9957 2.0420 2.0420 2.3359 2.3359 2.3580 2.3580 2.7808 2.7808 2.8447 2.8447 3.0498 3.0498 3.0804 3.0804 3.2448 3.2448 3.3642 3.3642 3.7219 3.7219 3.7637 3.7637 4.1698 4.1698 4.2263 4.2263 4.8944 4.8944 4.9352 4.9352 5.4710 5.4710 5.5014 5.5014 6.0174 6.0174 6.0375 6.0375 6.5997 6.5997 6.6187 6.6187 7.3647 7.3647 7.3724 7.3724 7.6662 7.6662 7.6737 7.6737 11.2296 11.2296 11.2399 11.2399 14.0665 14.0665 14.0800 14.0800 16.5318 16.5318 16.5648 16.5648 17.8283 17.8283 k = 0.6182 0.1962-0.0143 ( 3686 PWs) bands (ev): -10.8180 -10.8180 -10.8174 -10.8174 -9.4706 -9.4706 -9.4698 -9.4698 -9.0621 -9.0621 -9.0608 -9.0607 -0.2885 -0.2885 -0.2864 -0.2864 2.0187 2.0187 2.0657 2.0657 2.3315 2.3315 2.3524 2.3524 2.7882 2.7882 2.8526 2.8526 3.0432 3.0432 3.0757 3.0757 3.2306 3.2306 3.3523 3.3523 3.7245 3.7245 3.7686 3.7686 4.1722 4.1722 4.2276 4.2276 4.8909 4.8909 4.9303 4.9303 5.4503 5.4503 5.4801 5.4801 6.0060 6.0060 6.0275 6.0275 6.5741 6.5741 6.5935 6.5935 7.4022 7.4022 7.4095 7.4095 7.6793 7.6793 7.6866 7.6866 11.2196 11.2196 11.2290 11.2290 14.0600 14.0600 14.0731 14.0731 16.5768 16.5768 16.6078 16.6078 17.8172 17.8172 k = 0.6103 0.2013-0.0008 ( 3688 PWs) bands (ev): -10.8289 -10.8289 -10.8284 -10.8284 -9.4506 -9.4506 -9.4497 -9.4497 -9.0674 -9.0674 -9.0661 -9.0661 -0.2967 -0.2967 -0.2947 -0.2947 2.0418 2.0418 2.0892 2.0892 2.3269 2.3269 2.3468 2.3468 2.7959 2.7959 2.8607 2.8607 3.0360 3.0360 3.0715 3.0715 3.2160 3.2160 3.3397 3.3397 3.7302 3.7302 3.7765 3.7765 4.1740 4.1740 4.2280 4.2280 4.8814 4.8814 4.9189 4.9189 5.4327 5.4327 5.4615 5.4615 5.9981 5.9981 6.0206 6.0206 6.5485 6.5485 6.5681 6.5681 7.4399 7.4399 7.4468 7.4468 7.6921 7.6921 7.6990 7.6990 11.2083 11.2083 11.2169 11.2169 14.0533 14.0533 14.0660 14.0660 16.6240 16.6240 16.6529 16.6529 17.8057 17.8057 k = 0.6025 0.2064 0.0128 ( 3688 PWs) bands (ev): -10.8394 -10.8394 -10.8390 -10.8390 -9.4305 -9.4305 -9.4297 -9.4297 -9.0732 -9.0732 -9.0720 -9.0720 -0.3047 -0.3047 -0.3029 -0.3029 2.0649 2.0649 2.1123 2.1123 2.3223 2.3223 2.3411 2.3411 2.8038 2.8038 2.8689 2.8689 3.0288 3.0288 3.0674 3.0674 3.2010 3.2010 3.3261 3.3261 3.7395 3.7395 3.7876 3.7876 4.1752 4.1752 4.2275 4.2275 4.8652 4.8652 4.9001 4.9001 5.4193 5.4193 5.4467 5.4467 5.9938 5.9938 6.0167 6.0167 6.5228 6.5228 6.5425 6.5425 7.4773 7.4773 7.4838 7.4838 7.7044 7.7044 7.7110 7.7110 11.1959 11.1959 11.2038 11.2038 14.0466 14.0466 14.0587 14.0587 16.6732 16.6732 16.7000 16.7000 17.7937 17.7937 k = 0.5946 0.2115 0.0263 ( 3688 PWs) bands (ev): -10.8493 -10.8493 -10.8490 -10.8490 -9.4106 -9.4106 -9.4099 -9.4099 -9.0795 -9.0795 -9.0784 -9.0784 -0.3125 -0.3125 -0.3108 -0.3108 2.0877 2.0877 2.1349 2.1349 2.3178 2.3178 2.3356 2.3356 2.8120 2.8120 2.8770 2.8770 3.0218 3.0218 3.0631 3.0631 3.1858 3.1858 3.3116 3.3116 3.7526 3.7526 3.8018 3.8018 4.1760 4.1760 4.2263 4.2263 4.8418 4.8418 4.8738 4.8738 5.4107 5.4107 5.4362 5.4362 5.9928 5.9928 6.0156 6.0156 6.4969 6.4969 6.5166 6.5166 7.5140 7.5140 7.5203 7.5203 7.7161 7.7161 7.7225 7.7225 11.1828 11.1828 11.1898 11.1898 14.0398 14.0398 14.0514 14.0514 16.7242 16.7242 16.7488 16.7488 17.7811 17.7811 k = 0.5867 0.2166 0.0398 ( 3688 PWs) bands (ev): -10.8587 -10.8587 -10.8584 -10.8584 -9.3909 -9.3909 -9.3902 -9.3902 -9.0864 -9.0864 -9.0854 -9.0854 -0.3201 -0.3201 -0.3185 -0.3185 2.1100 2.1100 2.1565 2.1565 2.3135 2.3135 2.3301 2.3301 2.8206 2.8206 2.8848 2.8848 3.0153 3.0153 3.0587 3.0587 3.1704 3.1704 3.2962 3.2962 3.7696 3.7696 3.8190 3.8190 4.1764 4.1764 4.2244 4.2244 4.8116 4.8116 4.8403 4.8403 5.4069 5.4069 5.4299 5.4299 5.9952 5.9952 6.0173 6.0173 6.4708 6.4708 6.4905 6.4905 7.5497 7.5497 7.5556 7.5556 7.7272 7.7272 7.7333 7.7333 11.1691 11.1691 11.1754 11.1754 14.0332 14.0332 14.0440 14.0440 16.7767 16.7767 16.7993 16.7993 17.7677 17.7678 k = 0.5788 0.2217 0.0534 ( 3688 PWs) bands (ev): -10.8674 -10.8674 -10.8671 -10.8671 -9.3714 -9.3714 -9.3708 -9.3708 -9.0938 -9.0938 -9.0929 -9.0929 -0.3272 -0.3272 -0.3258 -0.3258 2.1318 2.1318 2.1770 2.1770 2.3094 2.3094 2.3248 2.3248 2.8297 2.8297 2.8923 2.8923 3.0093 3.0093 3.0542 3.0542 3.1550 3.1550 3.2801 3.2801 3.7905 3.7905 3.8393 3.8393 4.1765 4.1765 4.2221 4.2221 4.7754 4.7754 4.8009 4.8009 5.4071 5.4071 5.4274 5.4274 6.0006 6.0006 6.0217 6.0217 6.4446 6.4446 6.4642 6.4642 7.5839 7.5839 7.5895 7.5895 7.7375 7.7375 7.7434 7.7434 11.1552 11.1552 11.1609 11.1609 14.0267 14.0268 14.0368 14.0368 16.8306 16.8306 16.8511 16.8511 17.7533 17.7533 k = 0.5709 0.2267 0.0669 ( 3692 PWs) bands (ev): -10.8754 -10.8754 -10.8752 -10.8752 -9.3523 -9.3523 -9.3517 -9.3517 -9.1018 -9.1018 -9.1010 -9.1010 -0.3339 -0.3339 -0.3326 -0.3326 2.1528 2.1528 2.1961 2.1961 2.3056 2.3056 2.3198 2.3198 2.8393 2.8393 2.8994 2.8994 3.0039 3.0039 3.0495 3.0495 3.1399 3.1399 3.2633 3.2633 3.8153 3.8153 3.8624 3.8624 4.1764 4.1764 4.2194 4.2194 4.7341 4.7341 4.7566 4.7566 5.4104 5.4104 5.4277 5.4277 6.0091 6.0091 6.0287 6.0287 6.4182 6.4182 6.4375 6.4375 7.6162 7.6163 7.6216 7.6216 7.7471 7.7471 7.7526 7.7527 11.1414 11.1414 11.1464 11.1464 14.0206 14.0206 14.0299 14.0299 16.8857 16.8857 16.9041 16.9041 17.7371 17.7373 k = 0.5630 0.2318 0.0805 ( 3698 PWs) bands (ev): -10.8826 -10.8826 -10.8825 -10.8825 -9.3335 -9.3335 -9.3330 -9.3330 -9.1104 -9.1104 -9.1097 -9.1097 -0.3401 -0.3401 -0.3389 -0.3389 2.1728 2.1728 2.2134 2.2134 2.3022 2.3022 2.3151 2.3151 2.8495 2.8495 2.9060 2.9060 2.9988 2.9988 3.0447 3.0447 3.1256 3.1256 3.2461 3.2461 3.8436 3.8436 3.8882 3.8882 4.1759 4.1759 4.2164 4.2164 4.6890 4.6890 4.7092 4.7092 5.4157 5.4157 5.4302 5.4302 6.0203 6.0203 6.0382 6.0382 6.3916 6.3916 6.4106 6.4106 7.6464 7.6464 7.6515 7.6515 7.7557 7.7557 7.7610 7.7610 11.1280 11.1280 11.1325 11.1325 14.0148 14.0148 14.0232 14.0232 16.9417 16.9417 16.9580 16.9580 17.7188 17.7189 k = 0.5552 0.2369 0.0940 ( 3702 PWs) bands (ev): -10.8891 -10.8891 -10.8890 -10.8890 -9.3152 -9.3152 -9.3147 -9.3147 -9.1196 -9.1196 -9.1190 -9.1190 -0.3457 -0.3457 -0.3446 -0.3446 2.1916 2.1916 2.2288 2.2288 2.2990 2.2990 2.3107 2.3107 2.8603 2.8603 2.9122 2.9122 2.9938 2.9938 3.0394 3.0394 3.1128 3.1128 3.2288 3.2288 3.8751 3.8752 3.9165 3.9165 4.1752 4.1752 4.2131 4.2131 4.6414 4.6414 4.6598 4.6598 5.4221 5.4221 5.4338 5.4338 6.0340 6.0340 6.0501 6.0501 6.3649 6.3649 6.3834 6.3834 7.6740 7.6740 7.6788 7.6788 7.7635 7.7635 7.7684 7.7684 11.1154 11.1154 11.1193 11.1193 14.0096 14.0096 14.0170 14.0170 16.9983 16.9983 17.0127 17.0127 17.6973 17.6974 k = 0.5473 0.2420 0.1075 ( 3698 PWs) bands (ev): -10.8948 -10.8948 -10.8947 -10.8947 -9.2974 -9.2974 -9.2970 -9.2970 -9.1294 -9.1294 -9.1289 -9.1289 -0.3507 -0.3507 -0.3497 -0.3497 2.2091 2.2091 2.2421 2.2421 2.2962 2.2962 2.3067 2.3067 2.8719 2.8719 2.9181 2.9181 2.9889 2.9889 3.0331 3.0331 3.1026 3.1026 3.2116 3.2116 3.9096 3.9096 3.9470 3.9470 4.1740 4.1740 4.2094 4.2094 4.5926 4.5926 4.6100 4.6100 5.4289 5.4289 5.4379 5.4379 6.0501 6.0501 6.0645 6.0645 6.3381 6.3381 6.3560 6.3560 7.6988 7.6988 7.7034 7.7034 7.7702 7.7702 7.7748 7.7748 11.1039 11.1039 11.1071 11.1071 14.0049 14.0049 14.0114 14.0114 17.0552 17.0552 17.0677 17.0677 17.6720 17.6720 k = 0.5394 0.2471 0.1211 ( 3688 PWs) bands (ev): -10.8997 -10.8997 -10.8996 -10.8996 -9.2801 -9.2801 -9.2797 -9.2797 -9.1398 -9.1398 -9.1394 -9.1394 -0.3549 -0.3549 -0.3542 -0.3542 2.2251 2.2251 2.2532 2.2532 2.2936 2.2936 2.3032 2.3032 2.8842 2.8842 2.9238 2.9238 2.9837 2.9837 3.0249 3.0249 3.0963 3.0963 3.1946 3.1946 3.9464 3.9464 3.9792 3.9792 4.1722 4.1722 4.2053 4.2053 4.5440 4.5440 4.5609 4.5609 5.4354 5.4354 5.4421 5.4421 6.0683 6.0683 6.0811 6.0811 6.3114 6.3114 6.3286 6.3286 7.7205 7.7205 7.7248 7.7248 7.7759 7.7759 7.7801 7.7801 11.0936 11.0936 11.0963 11.0963 14.0009 14.0009 14.0063 14.0063 17.1121 17.1121 17.1228 17.1228 17.6422 17.6423 k = 0.5315 0.2522 0.1346 ( 3690 PWs) bands (ev): -10.9037 -10.9037 -10.9036 -10.9036 -9.2634 -9.2634 -9.2630 -9.2630 -9.1508 -9.1508 -9.1505 -9.1505 -0.3585 -0.3585 -0.3578 -0.3578 2.2393 2.2393 2.2621 2.2621 2.2911 2.2911 2.3000 2.3000 2.8971 2.8971 2.9294 2.9294 2.9782 2.9782 3.0141 3.0141 3.0944 3.0944 3.1781 3.1781 3.9850 3.9850 4.0124 4.0124 4.1692 4.1692 4.2002 4.2002 4.4974 4.4974 4.5142 4.5142 5.4413 5.4413 5.4459 5.4459 6.0881 6.0881 6.0999 6.0999 6.2848 6.2848 6.3010 6.3010 7.7389 7.7389 7.7430 7.7430 7.7804 7.7804 7.7841 7.7841 11.0849 11.0849 11.0871 11.0871 13.9976 13.9976 14.0020 14.0020 17.1684 17.1684 17.1773 17.1773 17.6079 17.6079 k = 0.5236 0.2572 0.1481 ( 3690 PWs) bands (ev): -10.9068 -10.9068 -10.9068 -10.9068 -9.2472 -9.2472 -9.2470 -9.2470 -9.1624 -9.1624 -9.1622 -9.1622 -0.3612 -0.3612 -0.3608 -0.3608 2.2516 2.2516 2.2689 2.2689 2.2887 2.2887 2.2973 2.2973 2.9107 2.9107 2.9351 2.9351 2.9723 2.9723 3.0013 3.0013 3.0967 3.0967 3.1622 3.1622 4.0242 4.0242 4.0457 4.0457 4.1645 4.1645 4.1934 4.1934 4.4553 4.4553 4.4714 4.4714 5.4461 5.4461 5.4490 5.4490 6.1093 6.1093 6.1208 6.1208 6.2584 6.2584 6.2735 6.2735 7.7538 7.7538 7.7578 7.7578 7.7836 7.7836 7.7867 7.7867 11.0780 11.0780 11.0796 11.0796 13.9951 13.9951 13.9984 13.9984 17.2234 17.2234 17.2305 17.2305 17.5698 17.5701 k = 0.5158 0.2623 0.1617 ( 3692 PWs) bands (ev): -10.9090 -10.9090 -10.9090 -10.9090 -9.2318 -9.2318 -9.2316 -9.2316 -9.1746 -9.1746 -9.1745 -9.1745 -0.3632 -0.3632 -0.3629 -0.3629 2.2618 2.2618 2.2740 2.2740 2.2861 2.2861 2.2947 2.2947 2.9247 2.9247 2.9409 2.9409 2.9664 2.9664 2.9871 2.9871 3.1024 3.1024 3.1474 3.1474 4.0625 4.0625 4.0777 4.0777 4.1568 4.1568 4.1833 4.1833 4.4215 4.4215 4.4351 4.4351 5.4498 5.4498 5.4513 5.4513 6.1314 6.1314 6.1435 6.1435 6.2326 6.2326 6.2463 6.2463 7.7651 7.7651 7.7692 7.7692 7.7856 7.7856 7.7879 7.7879 11.0729 11.0729 11.0740 11.0740 13.9934 13.9934 13.9956 13.9956 17.2751 17.2751 17.2804 17.2804 17.5299 17.5299 k = 0.5079 0.2674 0.1752 ( 3692 PWs) bands (ev): -10.9104 -10.9104 -10.9104 -10.9104 -9.2173 -9.2173 -9.2172 -9.2172 -9.1871 -9.1871 -9.1871 -9.1871 -0.3644 -0.3644 -0.3642 -0.3642 2.2692 2.2692 2.2777 2.2777 2.2833 2.2833 2.2924 2.2924 2.9380 2.9380 2.9475 2.9475 2.9608 2.9608 2.9723 2.9723 3.1108 3.1108 3.1337 3.1337 4.0971 4.0971 4.1062 4.1062 4.1449 4.1449 4.1688 4.1688 4.4006 4.4006 4.4087 4.4087 5.4521 5.4521 5.4527 5.4527 6.1540 6.1540 6.1676 6.1676 6.2078 6.2078 6.2194 6.2194 7.7724 7.7724 7.7772 7.7772 7.7862 7.7862 7.7874 7.7874 11.0700 11.0700 11.0705 11.0705 13.9926 13.9926 13.9938 13.9938 17.3188 17.3188 17.3219 17.3219 17.4936 17.4936 k = 0.5000 0.2725 0.1888 ( 3684 PWs) bands (ev): -10.9108 -10.9108 -10.9108 -10.9108 -9.2074 -9.2074 -9.2074 -9.2074 -9.1963 -9.1963 -9.1963 -9.1963 -0.3647 -0.3647 -0.3647 -0.3647 2.2724 2.2724 2.2805 2.2805 2.2805 2.2805 2.2914 2.2914 2.9448 2.9448 2.9564 2.9564 2.9587 2.9587 2.9587 2.9587 3.1214 3.1214 3.1214 3.1214 4.1210 4.1210 4.1210 4.1210 4.1314 4.1314 4.1572 4.1572 4.3962 4.3962 4.3962 4.3962 5.4530 5.4530 5.4530 5.4530 6.1700 6.1700 6.1910 6.1910 6.1910 6.1910 6.1952 6.1952 7.7751 7.7751 7.7807 7.7807 7.7863 7.7863 7.7863 7.7863 11.0692 11.0692 11.0692 11.0692 13.9928 13.9928 13.9928 13.9928 17.3398 17.3398 17.3398 17.3398 17.4761 17.4761 k = 0.5000 0.2725 0.1888 ( 3684 PWs) bands (ev): -10.9108 -10.9108 -10.9108 -10.9108 -9.2074 -9.2074 -9.2074 -9.2074 -9.1963 -9.1963 -9.1963 -9.1963 -0.3647 -0.3647 -0.3647 -0.3647 2.2724 2.2724 2.2805 2.2805 2.2805 2.2805 2.2914 2.2914 2.9448 2.9448 2.9564 2.9564 2.9587 2.9587 2.9587 2.9587 3.1214 3.1214 3.1214 3.1214 4.1210 4.1210 4.1210 4.1210 4.1314 4.1314 4.1572 4.1572 4.3962 4.3962 4.3962 4.3962 5.4530 5.4530 5.4530 5.4530 6.1700 6.1700 6.1910 6.1910 6.1910 6.1910 6.1952 6.1952 7.7751 7.7751 7.7807 7.7807 7.7863 7.7863 7.7863 7.7863 11.0692 11.0692 11.0692 11.0692 13.9928 13.9928 13.9928 13.9928 17.3398 17.3398 17.3398 17.3398 17.4761 17.4761 k = 0.4861 0.2649 0.1835 ( 3690 PWs) bands (ev): -10.9510 -10.9510 -10.8702 -10.8702 -9.2173 -9.2173 -9.2061 -9.2060 -9.1975 -9.1975 -9.1865 -9.1865 -0.4242 -0.4242 -0.3047 -0.3047 2.2469 2.2513 2.2513 2.2628 2.2963 2.3081 2.3081 2.3186 2.9324 2.9416 2.9514 2.9514 2.9577 2.9660 2.9660 2.9722 3.1158 3.1158 3.1275 3.1275 4.0913 4.0913 4.1029 4.1254 4.1511 4.1511 4.1610 4.1899 4.3398 4.3398 4.4534 4.4534 5.4123 5.4123 5.4927 5.4927 6.1188 6.1398 6.1398 6.1443 6.2214 6.2426 6.2426 6.2463 7.7663 7.7716 7.7770 7.7770 7.7842 7.7901 7.7957 7.7957 11.0049 11.0049 11.1308 11.1308 13.9699 13.9699 14.0200 14.0200 17.2684 17.2684 17.4074 17.4087 17.4110 17.4110 k = 0.4722 0.2574 0.1783 ( 3681 PWs) bands (ev): -10.9908 -10.9908 -10.8292 -10.8292 -9.2270 -9.2270 -9.2157 -9.2156 -9.1875 -9.1875 -9.1766 -9.1766 -0.4832 -0.4832 -0.2443 -0.2443 2.2200 2.2209 2.2209 2.2331 2.3186 2.3342 2.3342 2.3445 2.9206 2.9279 2.9444 2.9444 2.9710 2.9734 2.9734 2.9889 3.1108 3.1108 3.1343 3.1343 4.0624 4.0624 4.0757 4.0947 4.1807 4.1807 4.1918 4.2236 4.2857 4.2857 4.5107 4.5107 5.3706 5.3706 5.5318 5.5318 6.0681 6.0892 6.0892 6.0940 6.2728 6.2943 6.2943 6.2976 7.7575 7.7627 7.7680 7.7680 7.7935 7.7996 7.8053 7.8053 10.9383 10.9383 11.1895 11.1895 13.9513 13.9513 14.0516 14.0516 17.1967 17.1967 17.3385 17.3398 17.4818 17.4818 k = 0.4583 0.2498 0.1730 ( 3687 PWs) bands (ev): -11.0300 -11.0300 -10.7879 -10.7879 -9.2366 -9.2366 -9.2252 -9.2252 -9.1775 -9.1775 -9.1667 -9.1667 -0.5417 -0.5417 -0.1834 -0.1834 2.1893 2.1893 2.1918 2.2024 2.3392 2.3585 2.3585 2.3689 2.9094 2.9153 2.9378 2.9378 2.9804 2.9804 2.9846 3.0063 3.1060 3.1060 3.1417 3.1417 4.0341 4.0341 4.0494 4.0647 4.1998 4.1998 4.2238 4.2444 4.2444 4.2583 4.5675 4.5675 5.3278 5.3278 5.5703 5.5703 6.0181 6.0394 6.0394 6.0444 6.3240 6.3459 6.3459 6.3486 7.7489 7.7539 7.7590 7.7590 7.8031 7.8094 7.8151 7.8151 10.8696 10.8696 11.2452 11.2452 13.9369 13.9369 14.0877 14.0877 17.1250 17.1250 17.2695 17.2709 17.5519 17.5519 k = 0.4444 0.2422 0.1678 ( 3687 PWs) bands (ev): -11.0686 -11.0686 -10.7465 -10.7465 -9.2462 -9.2462 -9.2346 -9.2346 -9.1675 -9.1675 -9.1568 -9.1568 -0.5995 -0.5995 -0.1221 -0.1221 2.1567 2.1567 2.1624 2.1708 2.3581 2.3811 2.3811 2.3916 2.8989 2.9039 2.9318 2.9318 2.9871 2.9871 2.9983 3.0244 3.1016 3.1016 3.1498 3.1498 4.0065 4.0065 4.0243 4.0356 4.1667 4.1667 4.2570 4.2577 4.2577 4.2940 4.6230 4.6230 5.2838 5.2838 5.6089 5.6089 5.9689 5.9907 5.9907 5.9957 6.3748 6.3971 6.3971 6.3993 7.7405 7.7453 7.7502 7.7502 7.8128 7.8195 7.8251 7.8251 10.7991 10.7991 11.2975 11.2975 13.9264 13.9264 14.1282 14.1282 17.0534 17.0534 17.2005 17.2019 17.6212 17.6212 k = 0.4306 0.2346 0.1625 ( 3693 PWs) bands (ev): -11.1065 -11.1065 -10.7048 -10.7048 -9.2555 -9.2555 -9.2439 -9.2438 -9.1575 -9.1575 -9.1469 -9.1468 -0.6568 -0.6568 -0.0605 -0.0605 2.1234 2.1234 2.1320 2.1385 2.3753 2.4018 2.4018 2.4128 2.8892 2.8937 2.9264 2.9264 2.9932 2.9932 3.0120 3.0429 3.0975 3.0975 3.1587 3.1587 3.9794 3.9794 4.0001 4.0072 4.1179 4.1179 4.2896 4.2896 4.2913 4.3306 4.6765 4.6765 5.2387 5.2387 5.6479 5.6479 5.9209 5.9434 5.9434 5.9482 6.4250 6.4479 6.4479 6.4494 7.7322 7.7368 7.7415 7.7415 7.8228 7.8297 7.8354 7.8354 10.7271 10.7271 11.3465 11.3465 13.9196 13.9196 14.1730 14.1730 16.9819 16.9819 17.1317 17.1331 17.6888 17.6888 k = 0.4167 0.2271 0.1573 ( 3687 PWs) bands (ev): -11.1437 -11.1437 -10.6632 -10.6632 -9.2647 -9.2647 -9.2530 -9.2529 -9.1474 -9.1474 -9.1370 -9.1369 -0.7134 -0.7134 0.0014 0.0014 2.0895 2.0895 2.1008 2.1056 2.3907 2.4206 2.4206 2.4324 2.8803 2.8847 2.9217 2.9217 2.9987 2.9987 3.0257 3.0616 3.0936 3.0936 3.1683 3.1683 3.9527 3.9527 3.9768 3.9795 4.0694 4.0694 4.3241 4.3241 4.3267 4.3682 4.7271 4.7271 5.1925 5.1925 5.6877 5.6877 5.8743 5.8978 5.8978 5.9022 6.4744 6.4978 6.4978 6.4987 7.7240 7.7284 7.7329 7.7329 7.8330 7.8403 7.8458 7.8458 10.6540 10.6540 11.3919 11.3919 13.9164 13.9164 14.2219 14.2219 16.9107 16.9107 17.0631 17.0645 17.7517 17.7517 k = 0.4028 0.2195 0.1521 ( 3693 PWs) bands (ev): -11.1801 -11.1801 -10.6215 -10.6215 -9.2737 -9.2737 -9.2619 -9.2619 -9.1375 -9.1375 -9.1271 -9.1271 -0.7692 -0.7692 0.0637 0.0637 2.0551 2.0551 2.0690 2.0723 2.4046 2.4376 2.4376 2.4502 2.8722 2.8768 2.9179 2.9179 3.0035 3.0035 3.0391 3.0804 3.0899 3.0899 3.1785 3.1785 3.9263 3.9263 3.9525 3.9544 4.0228 4.0228 4.3598 4.3598 4.3630 4.4065 4.7740 4.7740 5.1454 5.1454 5.7285 5.7285 5.8293 5.8548 5.8548 5.8579 6.5227 6.5469 6.5469 6.5471 7.7159 7.7202 7.7245 7.7245 7.8435 7.8511 7.8565 7.8565 10.5799 10.5799 11.4339 11.4339 13.9164 13.9164 14.2747 14.2747 16.8399 16.8399 16.9948 16.9962 17.7924 17.7924 k = 0.3889 0.2119 0.1468 ( 3690 PWs) bands (ev): -11.2158 -11.2158 -10.5800 -10.5800 -9.2826 -9.2826 -9.2707 -9.2706 -9.1276 -9.1276 -9.1174 -9.1173 -0.8244 -0.8244 0.1261 0.1261 2.0205 2.0205 2.0368 2.0389 2.4169 2.4527 2.4527 2.4664 2.8650 2.8701 2.9149 2.9149 3.0077 3.0077 3.0521 3.0864 3.0864 3.0992 3.1893 3.1893 3.9000 3.9000 3.9261 3.9328 3.9788 3.9788 4.3963 4.3963 4.4002 4.4455 4.8163 4.8163 5.0975 5.0975 5.7673 5.7673 5.7862 5.8155 5.8181 5.8181 6.5699 6.5942 6.5948 6.5948 7.7079 7.7121 7.7161 7.7161 7.8543 7.8622 7.8674 7.8674 10.5052 10.5052 11.4723 11.4723 13.9195 13.9195 14.3312 14.3312 16.7697 16.7697 16.9270 16.9284 17.7901 17.7901 k = 0.3750 0.2044 0.1416 ( 3702 PWs) bands (ev): -11.2505 -11.2505 -10.5386 -10.5386 -9.2912 -9.2912 -9.2792 -9.2792 -9.1178 -9.1178 -9.1077 -9.1076 -0.8787 -0.8787 0.1887 0.1887 1.9858 1.9858 2.0043 2.0053 2.4278 2.4661 2.4661 2.4809 2.8587 2.8644 2.9126 2.9126 3.0111 3.0111 3.0646 3.0830 3.0830 3.1175 3.2003 3.2003 3.8734 3.8734 3.9003 3.9119 3.9376 3.9376 4.4331 4.4331 4.4378 4.4849 4.8532 4.8532 5.0488 5.0488 5.7452 5.7637 5.7637 5.7754 5.8292 5.8292 6.6157 6.6401 6.6414 6.6414 7.6999 7.7040 7.7078 7.7078 7.8653 7.8735 7.8785 7.8785 10.4301 10.4301 11.5074 11.5074 13.9255 13.9255 14.3910 14.3910 16.7001 16.7001 16.8598 16.8612 17.7738 17.7738 k = 0.3611 0.1968 0.1363 ( 3702 PWs) bands (ev): -11.2844 -11.2844 -10.4975 -10.4975 -9.2996 -9.2996 -9.2876 -9.2875 -9.1080 -9.1080 -9.0981 -9.0980 -0.9322 -0.9322 0.2514 0.2514 1.9512 1.9512 1.9718 1.9719 2.4372 2.4777 2.4777 2.4938 2.8533 2.8598 2.9113 2.9113 3.0140 3.0140 3.0766 3.0799 3.0799 3.1355 3.2116 3.2116 3.8462 3.8462 3.8750 3.8917 3.8998 3.8998 4.4701 4.4701 4.4759 4.5246 4.8841 4.8841 4.9997 4.9997 5.7067 5.7300 5.7300 5.7377 5.8767 5.8767 6.6600 6.6844 6.6865 6.6865 7.6921 7.6961 7.6997 7.6997 7.8765 7.8850 7.8898 7.8898 10.3548 10.3548 11.5391 11.5391 13.9339 13.9339 14.4537 14.4537 16.6314 16.6314 16.7933 16.7947 17.7537 17.7537 k = 0.3472 0.1892 0.1311 ( 3702 PWs) bands (ev): -11.3173 -11.3173 -10.4568 -10.4568 -9.3078 -9.3078 -9.2957 -9.2956 -9.0985 -9.0985 -9.0886 -9.0885 -0.9847 -0.9847 0.3142 0.3142 1.9170 1.9170 1.9387 1.9393 2.4455 2.4878 2.4878 2.5051 2.8488 2.8561 2.9108 2.9108 3.0165 3.0165 3.0769 3.0769 3.0879 3.1529 3.2230 3.2230 3.8181 3.8181 3.8502 3.8657 3.8657 3.8722 4.5068 4.5068 4.5139 4.5641 4.9083 4.9083 4.9503 4.9503 5.6710 5.6966 5.6966 5.7029 5.9306 5.9306 6.7027 6.7270 6.7300 6.7300 7.6843 7.6883 7.6916 7.6916 7.8880 7.8968 7.9013 7.9013 10.2794 10.2794 11.5677 11.5677 13.9446 13.9446 14.5190 14.5190 16.5637 16.5637 16.7278 16.7291 17.7317 17.7317 k = 0.3333 0.1817 0.1258 ( 3708 PWs) bands (ev): -11.3492 -11.3492 -10.4166 -10.4166 -9.3158 -9.3158 -9.3036 -9.3035 -9.0890 -9.0890 -9.0793 -9.0792 -1.0362 -1.0362 0.3769 0.3769 1.8831 1.8831 1.9059 1.9071 2.4525 2.4963 2.4963 2.5149 2.8452 2.8533 2.9111 2.9111 3.0184 3.0184 3.0740 3.0740 3.0984 3.1695 3.2341 3.2341 3.7890 3.7890 3.8261 3.8353 3.8353 3.8534 4.5427 4.5427 4.5517 4.6032 4.9006 4.9006 4.9262 4.9262 5.6383 5.6660 5.6660 5.6711 5.9892 5.9892 6.7435 6.7679 6.7717 6.7717 7.6767 7.6805 7.6836 7.6836 7.8997 7.9088 7.9130 7.9130 10.2042 10.2042 11.5932 11.5932 13.9574 13.9574 14.5864 14.5864 16.4971 16.4971 16.6632 16.6646 17.7085 17.7085 k = 0.3194 0.1741 0.1206 ( 3693 PWs) bands (ev): -11.3801 -11.3801 -10.3769 -10.3769 -9.3235 -9.3235 -9.3112 -9.3111 -9.0798 -9.0798 -9.0701 -9.0701 -1.0867 -1.0867 0.4396 0.4396 1.8498 1.8498 1.8737 1.8753 2.4586 2.5035 2.5035 2.5233 2.8426 2.8514 2.9122 2.9122 3.0201 3.0201 3.0715 3.0715 3.1082 3.1854 3.2451 3.2451 3.7595 3.7595 3.8025 3.8080 3.8080 3.8353 4.5771 4.5771 4.5887 4.6415 4.8517 4.8517 4.9367 4.9367 5.6091 5.6388 5.6388 5.6428 6.0521 6.0521 6.7824 6.8069 6.8115 6.8115 7.6691 7.6729 7.6756 7.6756 7.9117 7.9209 7.9248 7.9248 10.1292 10.1292 11.6159 11.6159 13.9720 13.9720 14.6554 14.6554 16.4318 16.4318 16.5999 16.6013 17.6843 17.6843 k = 0.3056 0.1665 0.1154 ( 3687 PWs) bands (ev): -11.4099 -11.4099 -10.3379 -10.3379 -9.3309 -9.3309 -9.3185 -9.3185 -9.0707 -9.0707 -9.0611 -9.0611 -1.1360 -1.1360 0.5020 0.5020 1.8171 1.8171 1.8420 1.8441 2.4639 2.5095 2.5095 2.5303 2.8408 2.8501 2.9141 2.9141 3.0216 3.0216 3.0692 3.0692 3.1172 3.2002 3.2556 3.2556 3.7303 3.7303 3.7796 3.7829 3.7829 3.8178 4.6089 4.6089 4.6245 4.6783 4.8040 4.8040 4.9409 4.9409 5.5838 5.6155 5.6155 5.6183 6.1191 6.1191 6.8194 6.8438 6.8493 6.8493 7.6615 7.6654 7.6678 7.6678 7.9237 7.9332 7.9367 7.9367 10.0545 10.0545 11.6360 11.6360 13.9880 13.9880 14.7256 14.7256 16.3679 16.3679 16.5379 16.5393 17.6596 17.6596 k = 0.2917 0.1590 0.1101 ( 3687 PWs) bands (ev): -11.4387 -11.4387 -10.2996 -10.2996 -9.3381 -9.3381 -9.3256 -9.3256 -9.0619 -9.0619 -9.0524 -9.0524 -1.1842 -1.1842 0.5640 0.5640 1.7853 1.7853 1.8112 1.8135 2.4682 2.5143 2.5143 2.5359 2.8398 2.8495 2.9166 2.9166 3.0230 3.0230 3.0671 3.0671 3.1252 3.2140 3.2656 3.2656 3.7020 3.7020 3.7573 3.7594 3.7594 3.8009 4.6354 4.6354 4.6587 4.7132 4.7599 4.7599 4.9388 4.9388 5.5629 5.5965 5.5965 5.5980 6.1897 6.1897 6.8542 6.8786 6.8851 6.8851 7.6541 7.6579 7.6601 7.6601 7.9358 7.9455 7.9486 7.9486 9.9802 9.9802 11.6536 11.6536 14.0053 14.0053 14.7964 14.7964 16.3056 16.3056 16.4775 16.4787 17.6346 17.6346 k = 0.2778 0.1514 0.1049 ( 3678 PWs) bands (ev): -11.4663 -11.4663 -10.2622 -10.2622 -9.3450 -9.3450 -9.3325 -9.3324 -9.0532 -9.0532 -9.0439 -9.0439 -1.2310 -1.2310 0.6256 0.6256 1.7543 1.7543 1.7812 1.7838 2.4719 2.5181 2.5181 2.5403 2.8395 2.8495 2.9198 2.9198 3.0245 3.0245 3.0655 3.0655 3.1323 3.2265 3.2750 3.2750 3.6749 3.6749 3.7358 3.7371 3.7371 3.7846 4.6470 4.6470 4.6907 4.7287 4.7287 4.7455 4.9310 4.9310 5.5467 5.5821 5.5821 5.5822 6.2635 6.2635 6.8870 6.9113 6.9187 6.9187 7.6467 7.6505 7.6524 7.6524 7.9479 7.9577 7.9604 7.9604 9.9065 9.9065 11.6690 11.6690 14.0236 14.0236 14.8675 14.8675 16.2451 16.2451 16.4186 16.4199 17.6095 17.6095 k = 0.2639 0.1438 0.0996 ( 3681 PWs) bands (ev): -11.4927 -11.4927 -10.2258 -10.2258 -9.3516 -9.3516 -9.3390 -9.3390 -9.0449 -9.0449 -9.0357 -9.0356 -1.2764 -1.2764 0.6866 0.6866 1.7244 1.7244 1.7522 1.7549 2.4750 2.5210 2.5210 2.5436 2.8399 2.8499 2.9236 2.9236 3.0261 3.0261 3.0641 3.0641 3.1386 3.2378 3.2837 3.2837 3.6490 3.6490 3.7151 3.7157 3.7157 3.7689 4.6266 4.6266 4.7200 4.7267 4.7267 4.7747 4.9183 4.9183 5.5356 5.5711 5.5726 5.5726 6.3401 6.3401 6.9176 6.9418 6.9502 6.9502 7.6394 7.6432 7.6449 7.6449 7.9600 7.9699 7.9722 7.9722 9.8332 9.8332 11.6824 11.6824 14.0426 14.0426 14.9383 14.9383 16.1865 16.1865 16.3616 16.3629 17.5847 17.5847 k = 0.2500 0.1362 0.0944 ( 3681 PWs) bands (ev): -11.5180 -11.5180 -10.1904 -10.1904 -9.3579 -9.3579 -9.3453 -9.3452 -9.0368 -9.0368 -9.0277 -9.0276 -1.3203 -1.3203 0.7468 0.7468 1.6956 1.6956 1.7242 1.7270 2.4776 2.5232 2.5232 2.5459 2.8409 2.8508 2.9279 2.9279 3.0281 3.0281 3.0633 3.0633 3.1440 3.2476 3.2916 3.2916 3.6244 3.6244 3.6952 3.6952 3.6954 3.7539 4.5873 4.5873 4.7408 4.7408 4.7462 4.8002 4.9014 4.9014 5.5300 5.5650 5.5681 5.5681 6.4191 6.4191 6.9461 6.9701 6.9795 6.9795 7.6322 7.6361 7.6374 7.6374 7.9719 7.9818 7.9838 7.9838 9.7604 9.7604 11.6939 11.6939 14.0621 14.0621 15.0083 15.0083 16.1300 16.1300 16.3066 16.3078 17.5604 17.5604 k = 0.2361 0.1287 0.0891 ( 3681 PWs) bands (ev): -11.5420 -11.5420 -10.1562 -10.1562 -9.3639 -9.3639 -9.3512 -9.3512 -9.0291 -9.0291 -9.0200 -9.0200 -1.3626 -1.3626 0.8061 0.8061 1.6680 1.6680 1.6974 1.7003 2.4798 2.5247 2.5247 2.5473 2.8424 2.8520 2.9327 2.9327 3.0304 3.0304 3.0629 3.0629 3.1487 3.2560 3.2987 3.2987 3.6009 3.6009 3.6755 3.6755 3.6769 3.7395 4.5438 4.5438 4.7556 4.7556 4.7691 4.8217 4.8816 4.8816 5.5301 5.5640 5.5688 5.5688 6.4997 6.4997 6.9724 6.9962 7.0065 7.0065 7.6252 7.6290 7.6301 7.6301 7.9836 7.9935 7.9951 7.9951 9.6882 9.6882 11.7038 11.7038 14.0818 14.0818 15.0772 15.0772 16.0756 16.0756 16.2536 16.2548 17.5367 17.5367 k = 0.2222 0.1211 0.0839 ( 3678 PWs) bands (ev): -11.5648 -11.5648 -10.1232 -10.1232 -9.3696 -9.3696 -9.3568 -9.3568 -9.0216 -9.0216 -9.0127 -9.0126 -1.4032 -1.4032 0.8643 0.8643 1.6416 1.6416 1.6718 1.6747 2.4818 2.5257 2.5257 2.5479 2.8443 2.8535 2.9380 2.9380 3.0332 3.0332 3.0630 3.0630 3.1526 3.2628 3.3049 3.3049 3.5784 3.5784 3.6565 3.6565 3.6596 3.7257 4.4998 4.4998 4.7658 4.7658 4.7883 4.8389 4.8609 4.8609 5.5356 5.5680 5.5746 5.5746 6.5818 6.5818 6.9966 7.0201 7.0315 7.0315 7.6182 7.6221 7.6229 7.6229 7.9950 8.0049 8.0060 8.0060 9.6165 9.6165 11.7122 11.7122 14.1016 14.1016 15.1444 15.1444 16.0237 16.0237 16.2030 16.2041 17.5139 17.5139 k = 0.2083 0.1135 0.0786 ( 3672 PWs) bands (ev): -11.5863 -11.5863 -10.0916 -10.0916 -9.3750 -9.3750 -9.3622 -9.3621 -9.0145 -9.0145 -9.0057 -9.0056 -1.4420 -1.4420 0.9210 0.9210 1.6165 1.6165 1.6475 1.6503 2.4835 2.5263 2.5263 2.5478 2.8466 2.8552 2.9437 2.9437 3.0364 3.0364 3.0638 3.0638 3.1559 3.2681 3.3103 3.3103 3.5570 3.5570 3.6383 3.6383 3.6437 3.7127 4.4568 4.4568 4.7674 4.7674 4.8039 4.8429 4.8429 4.8520 5.5464 5.5767 5.5849 5.5849 6.6647 6.6647 7.0188 7.0418 7.0543 7.0543 7.6115 7.6154 7.6159 7.6159 8.0061 8.0158 8.0166 8.0166 9.5455 9.5455 11.7193 11.7193 14.1211 14.1211 15.2095 15.2095 15.9742 15.9742 16.1547 16.1557 17.4921 17.4921 k = 0.1944 0.1060 0.0734 ( 3672 PWs) bands (ev): -11.6065 -11.6065 -10.0615 -10.0615 -9.3800 -9.3800 -9.3672 -9.3671 -9.0078 -9.0078 -8.9990 -8.9990 -1.4789 -1.4789 0.9762 0.9762 1.5929 1.5929 1.6245 1.6272 2.4850 2.5265 2.5265 2.5471 2.8491 2.8570 2.9497 2.9497 3.0399 3.0399 3.0654 3.0654 3.1586 3.2716 3.3147 3.3147 3.5363 3.5363 3.6209 3.6209 3.6294 3.7002 4.4151 4.4151 4.7559 4.7559 4.8161 4.8327 4.8327 4.8611 5.5618 5.5896 5.5995 5.5995 6.7480 6.7480 7.0390 7.0615 7.0750 7.0750 7.6049 7.6088 7.6090 7.6090 8.0167 8.0262 8.0267 8.0267 9.4750 9.4750 11.7253 11.7253 14.1403 14.1403 15.2722 15.2722 15.9274 15.9274 16.1089 16.1099 17.4715 17.4715 k = 0.1806 0.0984 0.0682 ( 3681 PWs) bands (ev): -11.6255 -11.6255 -10.0330 -10.0330 -9.3847 -9.3847 -9.3719 -9.3718 -9.0014 -9.0014 -8.9927 -8.9927 -1.5139 -1.5139 1.0295 1.0295 1.5707 1.5707 1.6029 1.6055 2.4864 2.5263 2.5263 2.5459 2.8518 2.8590 2.9560 2.9560 3.0436 3.0436 3.0682 3.0682 3.1609 3.2733 3.3181 3.3181 3.5164 3.5164 3.6041 3.6041 3.6166 3.6884 4.3752 4.3752 4.7328 4.7328 4.8252 4.8296 4.8296 4.8668 5.5809 5.6060 5.6174 5.6174 6.8312 6.8312 7.0572 7.0791 7.0938 7.0938 7.5985 7.6024 7.6024 7.6024 8.0268 8.0360 8.0362 8.0362 9.4053 9.4053 11.7302 11.7302 14.1588 14.1588 15.3320 15.3320 15.8834 15.8834 16.0657 16.0667 17.4522 17.4522 k = 0.1667 0.0908 0.0629 ( 3681 PWs) bands (ev): -11.6431 -11.6431 -10.0061 -10.0061 -9.3891 -9.3891 -9.3762 -9.3762 -8.9955 -8.9955 -8.9868 -8.9868 -1.5467 -1.5467 1.0807 1.0807 1.5500 1.5500 1.5827 1.5853 2.4877 2.5260 2.5260 2.5443 2.8546 2.8610 2.9626 2.9626 3.0470 3.0470 3.0725 3.0725 3.1628 3.2734 3.3206 3.3206 3.4971 3.4971 3.5882 3.5882 3.6057 3.6773 4.3374 4.3374 4.7033 4.7033 4.8292 4.8292 4.8317 4.8697 5.6030 5.6253 5.6381 5.6381 6.9140 6.9140 7.0736 7.0948 7.1106 7.1106 7.5923 7.5960 7.5960 7.5963 8.0363 8.0451 8.0451 8.0451 9.3365 9.3365 11.7343 11.7343 14.1766 14.1766 15.3885 15.3885 15.8423 15.8423 16.0254 16.0263 17.4342 17.4342 k = 0.1528 0.0833 0.0577 ( 3670 PWs) bands (ev): -11.6593 -11.6593 -9.9810 -9.9810 -9.3932 -9.3932 -9.3802 -9.3802 -8.9899 -8.9899 -8.9813 -8.9813 -1.5773 -1.5773 1.1294 1.1294 1.5309 1.5309 1.5640 1.5665 2.4892 2.5256 2.5256 2.5423 2.8575 2.8631 2.9694 2.9694 3.0500 3.0500 3.0788 3.0788 3.1646 3.2718 3.3222 3.3222 3.4783 3.4783 3.5732 3.5732 3.5967 3.6668 4.3019 4.3019 4.6712 4.6712 4.8291 4.8291 4.8359 4.8703 5.6271 5.6466 5.6607 5.6607 6.9958 6.9958 7.0884 7.1086 7.1256 7.1256 7.5865 7.5898 7.5898 7.5904 8.0452 8.0533 8.0533 8.0536 9.2687 9.2687 11.7376 11.7376 14.1934 14.1934 15.4415 15.4415 15.8043 15.8043 15.9878 15.9887 17.4178 17.4178 k = 0.1389 0.0757 0.0524 ( 3676 PWs) bands (ev): -11.6742 -11.6742 -9.9578 -9.9578 -9.3969 -9.3969 -9.3839 -9.3839 -8.9848 -8.9848 -8.9763 -8.9763 -1.6056 -1.6056 1.1753 1.1753 1.5134 1.5134 1.5469 1.5491 2.4905 2.5251 2.5251 2.5400 2.8603 2.8651 2.9763 2.9763 3.0523 3.0523 3.0870 3.0870 3.1662 3.2687 3.3227 3.3227 3.4599 3.4599 3.5591 3.5591 3.5894 3.6569 4.2690 4.2690 4.6381 4.6381 4.8284 4.8284 4.8384 4.8692 5.6522 5.6690 5.6843 5.6843 7.0761 7.0761 7.1014 7.1206 7.1387 7.1387 7.5810 7.5840 7.5840 7.5848 8.0534 8.0608 8.0608 8.0613 9.2021 9.2021 11.7403 11.7403 14.2092 14.2092 15.4905 15.4905 15.7695 15.7695 15.9533 15.9541 17.4029 17.4029 k = 0.1250 0.0681 0.0472 ( 3676 PWs) bands (ev): -11.6877 -11.6877 -9.9364 -9.9364 -9.4003 -9.4003 -9.3873 -9.3872 -8.9801 -8.9801 -8.9717 -8.9717 -1.6316 -1.6316 1.2181 1.2181 1.4976 1.4976 1.5313 1.5334 2.4920 2.5244 2.5244 2.5374 2.8630 2.8671 2.9832 2.9832 3.0542 3.0542 3.0971 3.0971 3.1679 3.2642 3.3222 3.3222 3.4416 3.4416 3.5462 3.5462 3.5839 3.6477 4.2388 4.2388 4.6051 4.6051 4.8271 4.8271 4.8397 4.8669 5.6775 5.6918 5.7082 5.7082 7.1129 7.1308 7.1500 7.1500 7.1545 7.1545 7.5759 7.5786 7.5786 7.5795 8.0608 8.0676 8.0676 8.0682 9.1371 9.1371 11.7424 11.7424 14.2238 14.2238 15.5350 15.5350 15.7381 15.7381 15.9218 15.9225 17.3896 17.3896 k = 0.1111 0.0606 0.0419 ( 3694 PWs) bands (ev): -11.6998 -11.6998 -9.9171 -9.9171 -9.4033 -9.4033 -9.3903 -9.3902 -8.9759 -8.9759 -8.9675 -8.9675 -1.6551 -1.6551 1.2574 1.2574 1.4836 1.4836 1.5173 1.5192 2.4935 2.5238 2.5238 2.5347 2.8656 2.8689 2.9900 2.9900 3.0556 3.0556 3.1088 3.1088 3.1696 3.2585 3.3208 3.3208 3.4235 3.4235 3.5344 3.5344 3.5798 3.6390 4.2116 4.2116 4.5732 4.5732 4.8253 4.8253 4.8400 4.8638 5.7022 5.7142 5.7316 5.7316 7.1229 7.1395 7.1602 7.1602 7.2295 7.2295 7.5711 7.5736 7.5736 7.5746 8.0676 8.0736 8.0736 8.0743 9.0742 9.0742 11.7441 11.7441 14.2371 14.2371 15.5745 15.5745 15.7108 15.7108 15.8934 15.8940 17.3778 17.3778 k = 0.0972 0.0530 0.0367 ( 3691 PWs) bands (ev): -11.7106 -11.7106 -9.8999 -9.8999 -9.4060 -9.4060 -9.3929 -9.3929 -8.9722 -8.9722 -8.9638 -8.9638 -1.6760 -1.6760 1.2928 1.2928 1.4713 1.4713 1.5049 1.5066 2.4952 2.5232 2.5232 2.5318 2.8680 2.8707 2.9967 2.9967 3.0566 3.0566 3.1221 3.1221 3.1717 3.2519 3.3187 3.3187 3.4054 3.4054 3.5241 3.5241 3.5775 3.6309 4.1874 4.1874 4.5430 4.5430 4.8232 4.8232 4.8398 4.8603 5.7257 5.7356 5.7539 5.7539 7.1316 7.1466 7.1687 7.1687 7.3011 7.3011 7.5669 7.5690 7.5690 7.5701 8.0736 8.0789 8.0789 8.0796 9.0139 9.0139 11.7454 11.7454 14.2489 14.2489 15.6071 15.6071 15.6892 15.6892 15.8681 15.8687 17.3676 17.3676 k = 0.0833 0.0454 0.0315 ( 3673 PWs) bands (ev): -11.7199 -11.7199 -9.8848 -9.8848 -9.4083 -9.4083 -9.3952 -9.3952 -8.9689 -8.9689 -8.9606 -8.9606 -1.6942 -1.6942 1.3239 1.3239 1.4611 1.4611 1.4941 1.4956 2.4971 2.5227 2.5227 2.5290 2.8701 2.8723 3.0032 3.0032 3.0575 3.0575 3.1366 3.1366 3.1743 3.2448 3.3158 3.3158 3.3873 3.3873 3.5152 3.5152 3.5764 3.6235 4.1664 4.1664 4.5155 4.5155 4.8211 4.8211 4.8394 4.8567 5.7473 5.7553 5.7745 5.7745 7.1392 7.1524 7.1758 7.1758 7.3679 7.3679 7.5632 7.5651 7.5651 7.5661 8.0788 8.0835 8.0835 8.0841 8.9573 8.9573 11.7464 11.7464 14.2594 14.2594 15.6266 15.6266 15.6794 15.6794 15.8462 15.8467 17.3590 17.3590 k = 0.0694 0.0378 0.0262 ( 3673 PWs) bands (ev): -11.7278 -11.7278 -9.8720 -9.8720 -9.4103 -9.4103 -9.3972 -9.3972 -8.9661 -8.9661 -8.9578 -8.9578 -1.7098 -1.7098 1.3502 1.3502 1.4531 1.4531 1.4850 1.4862 2.4991 2.5222 2.5222 2.5260 2.8721 2.8737 3.0093 3.0093 3.0579 3.0579 3.1523 3.1523 3.1772 3.2372 3.3121 3.3121 3.3696 3.3696 3.5079 3.5079 3.5764 3.6165 4.1484 4.1484 4.4909 4.4909 4.8191 4.8191 4.8388 4.8531 5.7665 5.7729 5.7928 5.7928 7.1455 7.1569 7.1816 7.1816 7.4287 7.4287 7.5600 7.5619 7.5619 7.5626 8.0833 8.0873 8.0873 8.0878 8.9052 8.9052 11.7472 11.7472 14.2683 14.2683 15.6251 15.6251 15.6893 15.6893 15.8276 15.8280 17.3517 17.3517 k = 0.0556 0.0303 0.0210 ( 3673 PWs) bands (ev): -11.7343 -11.7343 -9.8614 -9.8614 -9.4119 -9.4119 -9.3988 -9.3988 -8.9638 -8.9638 -8.9556 -8.9555 -1.7227 -1.7227 1.3711 1.3711 1.4475 1.4475 1.4776 1.4785 2.5013 2.5217 2.5217 2.5229 2.8737 2.8748 3.0148 3.0148 3.0580 3.0580 3.1688 3.1688 3.1807 3.2295 3.3071 3.3071 3.3529 3.3529 3.5020 3.5020 3.5774 3.6100 4.1338 4.1338 4.4699 4.4699 4.8172 4.8172 4.8384 4.8497 5.7829 5.7878 5.8084 5.8084 7.1508 7.1601 7.1862 7.1862 7.4815 7.4815 7.5574 7.5595 7.5596 7.5596 8.0871 8.0904 8.0904 8.0907 8.8591 8.8591 11.7477 11.7477 14.2757 14.2757 15.6146 15.6146 15.7066 15.7066 15.8123 15.8126 17.3459 17.3459 k = 0.0417 0.0227 0.0157 ( 3676 PWs) bands (ev): -11.7393 -11.7393 -9.8531 -9.8531 -9.4131 -9.4131 -9.4000 -9.4000 -8.9620 -8.9620 -8.9538 -8.9538 -1.7327 -1.7327 1.3860 1.3860 1.4447 1.4447 1.4718 1.4725 2.5035 2.5199 2.5214 2.5214 2.8749 2.8757 3.0196 3.0196 3.0579 3.0579 3.1848 3.1858 3.1858 3.2218 3.3001 3.3001 3.3386 3.3386 3.4975 3.4975 3.5793 3.6040 4.1224 4.1224 4.4530 4.4530 4.8156 4.8156 4.8383 4.8467 5.7961 5.7997 5.8209 5.8209 7.1551 7.1622 7.1897 7.1897 7.5235 7.5235 7.5554 7.5571 7.5598 7.5598 8.0901 8.0927 8.0927 8.0928 8.8206 8.8206 11.7481 11.7481 14.2814 14.2814 15.6044 15.6044 15.7221 15.7221 15.8003 15.8006 17.3415 17.3415 k = 0.0278 0.0151 0.0105 ( 3676 PWs) bands (ev): -11.7429 -11.7429 -9.8472 -9.8472 -9.4140 -9.4140 -9.4009 -9.4009 -8.9607 -8.9607 -8.9525 -8.9525 -1.7399 -1.7399 1.3950 1.3950 1.4446 1.4446 1.4677 1.4682 2.5060 2.5169 2.5211 2.5211 2.8759 2.8764 3.0233 3.0233 3.0576 3.0576 3.1895 3.2025 3.2025 3.2144 3.2901 3.2901 3.3288 3.3288 3.4944 3.4944 3.5819 3.5985 4.1143 4.1143 4.4406 4.4406 4.8144 4.8144 4.8385 4.8441 5.8059 5.8082 5.8301 5.8301 7.1585 7.1633 7.1922 7.1922 7.5451 7.5451 7.5541 7.5552 7.5701 7.5701 8.0923 8.0942 8.0944 8.0944 8.7913 8.7913 11.7483 11.7483 14.2856 14.2856 15.5966 15.5966 15.7338 15.7338 15.7918 15.7920 17.3383 17.3383 k = 0.0139 0.0076 0.0052 ( 3676 PWs) bands (ev): -11.7451 -11.7451 -9.8436 -9.8436 -9.4146 -9.4146 -9.4014 -9.4014 -8.9600 -8.9600 -8.9518 -8.9517 -1.7442 -1.7442 1.3992 1.3992 1.4457 1.4457 1.4653 1.4655 2.5086 2.5141 2.5210 2.5210 2.8765 2.8767 3.0257 3.0257 3.0573 3.0573 3.1949 3.2074 3.2168 3.2168 3.2789 3.2789 3.3237 3.3237 3.4925 3.4925 3.5851 3.5935 4.1094 4.1094 4.4331 4.4331 4.8137 4.8137 4.8392 4.8419 5.8121 5.8132 5.8356 5.8356 7.1611 7.1635 7.1937 7.1937 7.5485 7.5485 7.5534 7.5540 7.5867 7.5867 8.0939 8.0948 8.0954 8.0954 8.7729 8.7729 11.7485 11.7485 14.2880 14.2880 15.5918 15.5918 15.7409 15.7409 15.7867 15.7868 17.3364 17.3364 k = 0.0000 0.0000 0.0000 ( 3667 PWs) bands (ev): -11.7458 -11.7458 -9.8424 -9.8424 -9.4148 -9.4148 -9.4016 -9.4016 -8.9597 -8.9597 -8.9515 -8.9515 -1.7457 -1.7457 1.4004 1.4004 1.4463 1.4463 1.4646 1.4646 2.5113 2.5113 2.5209 2.5209 2.8768 2.8768 3.0266 3.0266 3.0571 3.0571 3.2008 3.2008 3.2235 3.2235 3.2732 3.2732 3.3222 3.3222 3.4919 3.4919 3.5891 3.5891 4.1079 4.1079 4.4306 4.4306 4.8135 4.8135 4.8403 4.8403 5.8146 5.8146 5.8375 5.8375 7.1627 7.1627 7.1941 7.1941 7.5489 7.5489 7.5534 7.5534 7.5932 7.5932 8.0947 8.0947 8.0957 8.0957 8.7666 8.7666 11.7485 11.7485 14.2889 14.2889 15.5902 15.5902 15.7433 15.7433 15.7850 15.7850 17.3359 17.3359 k = 0.0000 0.0000 0.0000 ( 3667 PWs) bands (ev): -11.7458 -11.7458 -9.8424 -9.8424 -9.4148 -9.4148 -9.4016 -9.4016 -8.9597 -8.9597 -8.9515 -8.9515 -1.7457 -1.7457 1.4004 1.4004 1.4463 1.4463 1.4646 1.4646 2.5113 2.5113 2.5209 2.5209 2.8768 2.8768 3.0266 3.0266 3.0571 3.0571 3.2008 3.2008 3.2235 3.2235 3.2732 3.2732 3.3222 3.3222 3.4919 3.4919 3.5891 3.5891 4.1079 4.1079 4.4306 4.4306 4.8135 4.8135 4.8403 4.8403 5.8146 5.8146 5.8375 5.8375 7.1627 7.1627 7.1941 7.1941 7.5489 7.5489 7.5534 7.5534 7.5932 7.5932 8.0947 8.0947 8.0957 8.0957 8.7666 8.7666 11.7485 11.7485 14.2889 14.2889 15.5902 15.5902 15.7433 15.7433 15.7850 15.7850 17.3359 17.3359 k = 0.0080-0.0052-0.0138 ( 3673 PWs) bands (ev): -11.7451 -11.7450 -9.8437 -9.8428 -9.4151 -9.4142 -9.4015 -9.4015 -8.9602 -8.9599 -8.9518 -8.9518 -1.7446 -1.7445 1.3545 1.3906 1.4302 1.4518 1.4878 1.5057 2.5112 2.5114 2.5200 2.5233 2.8744 2.8744 3.0117 3.0296 3.0441 3.0725 3.1819 3.1893 3.2148 3.2328 3.2676 3.2838 3.3357 3.3491 3.4787 3.5073 3.5901 3.5902 4.1059 4.1111 4.4207 4.4361 4.8100 4.8220 4.8437 4.8448 5.8129 5.8130 5.8361 5.8363 7.1597 7.1599 7.1907 7.1919 7.5431 7.5472 7.5514 7.5523 7.5927 7.5967 8.0930 8.0931 8.0939 8.0947 8.7732 8.7763 11.7471 11.7498 14.2834 14.2877 15.5778 15.5974 15.7233 15.7427 15.8044 15.8075 17.3339 17.3369 k = 0.0161-0.0104-0.0276 ( 3669 PWs) bands (ev): -11.7429 -11.7427 -9.8468 -9.8449 -9.4152 -9.4135 -9.4012 -9.4010 -8.9614 -8.9608 -8.9529 -8.9528 -1.7412 -1.7411 1.3022 1.3351 1.4363 1.4496 1.5322 1.5592 2.5109 2.5122 2.5207 2.5272 2.8670 2.8675 2.9900 3.0107 3.0428 3.0853 3.1422 3.1736 3.2077 3.2418 3.2681 3.2972 3.3771 3.3938 3.4689 3.5246 3.5935 3.5942 4.1049 4.1153 4.4078 4.4367 4.8130 4.8298 4.8540 4.8619 5.8077 5.8087 5.8319 5.8329 7.1493 7.1513 7.1819 7.1850 7.5287 7.5333 7.5513 7.5518 7.5959 7.6010 8.0877 8.0886 8.0890 8.0909 8.7953 8.8013 11.7456 11.7511 14.2717 14.2800 15.5600 15.5963 15.7098 15.7443 15.8413 15.8489 17.3310 17.3371 k = 0.0241-0.0156-0.0414 ( 3667 PWs) bands (ev): -11.7393 -11.7390 -9.8516 -9.8487 -9.4153 -9.4132 -9.4005 -9.3997 -8.9633 -8.9623 -8.9545 -8.9545 -1.7355 -1.7354 1.2481 1.2784 1.4370 1.4483 1.5810 1.6117 2.5103 2.5139 2.5226 2.5324 2.8541 2.8562 2.9605 2.9851 3.0392 3.0927 3.1055 3.1647 3.2030 3.2499 3.2736 3.3156 3.4250 3.4359 3.4700 3.5440 3.5991 3.6020 4.1051 4.1208 4.3932 4.4328 4.8207 4.8366 4.8727 4.8904 5.7985 5.8019 5.8245 5.8276 7.1298 7.1352 7.1690 7.1758 7.5080 7.5124 7.5509 7.5514 7.6011 7.6054 8.0789 8.0807 8.0822 8.0851 8.8313 8.8398 11.7439 11.7520 14.2542 14.2662 15.5376 15.5830 15.7171 15.7603 15.8849 15.8952 17.3274 17.3365 k = 0.0322-0.0207-0.0553 ( 3671 PWs) bands (ev): -11.7341 -11.7338 -9.8580 -9.8543 -9.4156 -9.4134 -9.3991 -9.3975 -8.9660 -8.9647 -8.9568 -8.9567 -1.7276 -1.7274 1.1933 1.2216 1.4358 1.4472 1.6296 1.6626 2.5096 2.5166 2.5253 2.5388 2.8349 2.8410 2.9228 2.9586 3.0326 3.0631 3.1119 3.1603 3.2003 3.2568 3.2852 3.3364 3.4463 3.4727 3.5027 3.5683 3.6076 3.6154 4.1066 4.1275 4.3782 4.4255 4.8309 4.8447 4.9009 4.9267 5.7852 5.7925 5.8139 5.8209 7.1007 7.1096 7.1537 7.1649 7.4831 7.4882 7.5493 7.5504 7.6075 7.6105 8.0668 8.0691 8.0743 8.0778 8.8789 8.8894 11.7418 11.7526 14.2318 14.2471 15.5135 15.5617 15.7426 15.7897 15.9322 15.9438 17.3234 17.3354 k = 0.0402-0.0259-0.0691 ( 3669 PWs) bands (ev): -11.7276 -11.7271 -9.8660 -9.8615 -9.4163 -9.4144 -9.3969 -9.3942 -8.9695 -8.9679 -8.9595 -8.9594 -1.7175 -1.7173 1.1385 1.1648 1.4338 1.4460 1.6769 1.7114 2.5090 2.5203 2.5285 2.5465 2.8090 2.8225 2.8802 2.9333 3.0194 3.0416 3.1241 3.1578 3.1988 3.2631 3.3011 3.3581 3.4496 3.5129 3.5368 3.6042 3.6198 3.6368 4.1097 4.1358 4.3636 4.4158 4.8428 4.8550 4.9380 4.9690 5.7677 5.7806 5.8003 5.8127 7.0626 7.0742 7.1367 7.1520 7.4562 7.4632 7.5463 7.5482 7.6146 7.6167 8.0516 8.0545 8.0654 8.0696 8.9354 8.9476 11.7390 11.7524 14.2055 14.2236 15.4901 15.5391 15.7805 15.8297 15.9814 15.9933 17.3193 17.3343 k = 0.0483-0.0311-0.0829 ( 3677 PWs) bands (ev): -11.7195 -11.7189 -9.8756 -9.8704 -9.4176 -9.4160 -9.3936 -9.3899 -8.9739 -8.9720 -8.9627 -8.9625 -1.7052 -1.7049 1.0839 1.1083 1.4313 1.4445 1.7222 1.7577 2.5082 2.5248 2.5322 2.5551 2.7768 2.8007 2.8373 2.9089 3.0001 3.0341 3.1349 3.1570 3.1981 3.2687 3.3184 3.3800 3.4585 3.5397 3.5624 3.6361 3.6515 3.6683 4.1146 4.1458 4.3503 4.4052 4.8568 4.8677 4.9824 5.0162 5.7459 5.7656 5.7843 5.8031 7.0166 7.0300 7.1176 7.1365 7.4292 7.4388 7.5420 7.5444 7.6219 7.6242 8.0337 8.0372 8.0558 8.0606 8.9987 9.0122 11.7354 11.7514 14.1762 14.1967 15.4692 15.5183 15.8270 15.8781 16.0312 16.0426 17.3156 17.3336 k = 0.0563-0.0363-0.0967 ( 3679 PWs) bands (ev): -11.7100 -11.7093 -9.8867 -9.8808 -9.4196 -9.4181 -9.3894 -9.3847 -8.9792 -8.9770 -8.9662 -8.9660 -1.6907 -1.6904 1.0297 1.0523 1.4285 1.4427 1.7649 1.8012 2.5071 2.5299 2.5360 2.5646 2.7401 2.7737 2.7995 2.8857 2.9843 3.0305 3.1412 3.1600 3.1990 3.2733 3.3342 3.4029 3.4745 3.5551 3.5840 3.6566 3.7018 3.7087 4.1216 4.1576 4.3388 4.3946 4.8732 4.8832 5.0325 5.0673 5.7201 5.7464 5.7673 5.7923 6.9640 6.9786 7.0960 7.1183 7.4035 7.4160 7.5362 7.5392 7.6294 7.6325 8.0136 8.0175 8.0455 8.0509 9.0668 9.0815 11.7307 11.7490 14.1449 14.1674 15.4517 15.5009 15.8797 15.9330 16.0809 16.0910 17.3131 17.3340 k = 0.0643-0.0415-0.1105 ( 3677 PWs) bands (ev): -11.6991 -11.6983 -9.8993 -9.8928 -9.4221 -9.4208 -9.3843 -9.3787 -8.9854 -8.9830 -8.9700 -8.9699 -1.6740 -1.6737 0.9760 0.9970 1.4256 1.4406 1.8049 1.8415 2.5053 2.5347 2.5398 2.5742 2.7013 2.7400 2.7714 2.8642 2.9731 3.0280 3.1421 3.1656 3.2029 3.2765 3.3471 3.4279 3.4963 3.5662 3.6026 3.6797 3.7487 3.7558 4.1313 4.1717 4.3295 4.3849 4.8923 4.9016 5.0870 5.1215 5.6902 5.7223 5.7505 5.7807 6.9060 6.9215 7.0718 7.0971 7.3796 7.3951 7.5291 7.5325 7.6370 7.6410 7.9915 7.9959 8.0346 8.0408 9.1382 9.1538 11.7245 11.7451 14.1123 14.1364 15.4383 15.4876 15.9371 15.9926 16.1296 16.1375 17.3126 17.3363 k = 0.0724-0.0467-0.1243 ( 3683 PWs) bands (ev): -11.6867 -11.6858 -9.9132 -9.9063 -9.4251 -9.4238 -9.3783 -9.3721 -8.9925 -8.9898 -8.9742 -8.9741 -1.6553 -1.6549 0.9231 0.9424 1.4227 1.4383 1.8417 1.8785 2.5019 2.5381 2.5425 2.5833 2.6630 2.7072 2.7493 2.8447 2.9653 3.0261 3.1408 3.1692 3.2108 3.2782 3.3576 3.4552 3.5209 3.5768 3.6204 3.7044 3.7923 3.8033 4.1441 4.1882 4.3229 4.3767 4.9144 4.9229 5.1446 5.1777 5.6567 5.6937 5.7342 5.7685 6.8441 6.8603 7.0451 7.0731 7.3577 7.3760 7.5206 7.5244 7.6444 7.6493 7.9680 7.9727 8.0232 8.0301 9.2116 9.2279 11.7165 11.7394 14.0793 14.1046 15.4294 15.4786 15.9973 16.0550 16.1763 16.1822 17.3147 17.3411 k = 0.0804-0.0519-0.1382 ( 3685 PWs) bands (ev): -11.6730 -11.6719 -9.9284 -9.9212 -9.4287 -9.4274 -9.3716 -9.3647 -9.0004 -8.9976 -8.9787 -8.9786 -1.6345 -1.6341 0.8710 0.8887 1.4199 1.4358 1.8750 1.9120 2.4952 2.5369 2.5432 2.5903 2.6298 2.6816 2.7311 2.8282 2.9603 3.0248 3.1387 3.1702 3.2218 3.2787 3.3671 3.4835 3.5446 3.5896 3.6397 3.7299 3.8327 3.8475 4.1604 4.2071 4.3195 4.3710 4.9395 4.9472 5.2038 5.2344 5.6202 5.6617 5.7187 5.7564 6.7796 6.7962 7.0160 7.0464 7.3375 7.3585 7.5109 7.5150 7.6515 7.6571 7.9434 7.9484 8.0112 8.0189 9.2860 9.3030 11.7066 11.7315 14.0464 14.0727 15.4252 15.4743 16.0581 16.1175 16.2190 16.2278 17.3205 17.3494 k = 0.0885-0.0571-0.1520 ( 3693 PWs) bands (ev): -11.6578 -11.6567 -9.9449 -9.9374 -9.4327 -9.4313 -9.3641 -9.3568 -9.0092 -9.0062 -8.9835 -8.9833 -1.6118 -1.6112 0.8198 0.8360 1.4172 1.4332 1.9048 1.9418 2.4829 2.5236 2.5425 2.5930 2.6101 2.6658 2.7181 2.8151 2.9571 3.0241 3.1362 3.1694 3.2343 3.2782 3.3764 3.5109 3.5645 3.6065 3.6620 3.7555 3.8688 3.8872 4.1801 4.2284 4.3200 4.3686 4.9673 4.9742 5.2622 5.2889 5.5826 5.6282 5.7050 5.7453 6.7136 6.7305 6.9846 7.0171 7.3188 7.3421 7.4999 7.5043 7.6581 7.6641 7.9183 7.9235 7.9988 8.0072 9.3607 9.3783 11.6944 11.7212 14.0141 14.0412 15.4256 15.4744 16.1163 16.1754 16.2589 16.2770 17.3304 17.3617 k = 0.0965-0.0622-0.1658 ( 3691 PWs) bands (ev): -11.6413 -11.6401 -9.9626 -9.9548 -9.4371 -9.4357 -9.3559 -9.3483 -9.0188 -9.0157 -8.9886 -8.9883 -1.5871 -1.5864 0.7695 0.7843 1.4148 1.4305 1.9308 1.9679 2.4632 2.4965 2.5412 2.5910 2.6073 2.6569 2.7134 2.8062 2.9554 3.0241 3.1334 3.1678 3.2469 3.2771 3.3859 3.5352 3.5812 3.6270 3.6884 3.7805 3.9000 3.9221 4.2030 4.2518 4.3252 4.3709 4.9974 5.0034 5.3154 5.3355 5.5484 5.5965 5.6949 5.7366 6.6470 6.6639 6.9514 6.9857 7.3013 7.3267 7.4877 7.4924 7.6638 7.6703 7.8930 7.8982 7.9860 7.9951 9.4348 9.4530 11.6799 11.7085 13.9829 14.0106 15.4305 15.4787 16.1673 16.2211 16.3021 16.3326 17.3444 17.3780 k = 0.1046-0.0674-0.1796 ( 3685 PWs) bands (ev): -11.6234 -11.6221 -9.9814 -9.9735 -9.4420 -9.4405 -9.3471 -9.3392 -9.0292 -9.0259 -8.9941 -8.9936 -1.5604 -1.5598 0.7203 0.7338 1.4127 1.4279 1.9531 1.9905 2.4373 2.4624 2.5406 2.5894 2.6103 2.6505 2.7180 2.8020 2.9551 3.0247 3.1305 3.1657 3.2591 3.2759 3.3956 3.5540 3.5981 3.6489 3.7184 3.8043 3.9261 3.9517 4.2283 4.2768 4.3359 4.3792 5.0282 5.0339 5.3526 5.3631 5.5291 5.5735 5.6922 5.7328 6.5803 6.5971 6.9164 6.9523 7.2844 7.3118 7.4743 7.4793 7.6686 7.6753 7.8681 7.8731 7.9728 7.9827 9.5080 9.5267 11.6629 11.6931 13.9531 13.9814 15.4396 15.4868 16.2063 16.2498 16.3542 16.3959 17.3610 17.3964 k = 0.1126-0.0726-0.1934 ( 3685 PWs) bands (ev): -11.6042 -11.6028 -10.0012 -9.9932 -9.4474 -9.4458 -9.3377 -9.3296 -9.0404 -9.0369 -8.9997 -8.9991 -1.5320 -1.5313 0.6722 0.6844 1.4110 1.4255 1.9717 2.0095 2.4079 2.4264 2.5412 2.5867 2.6147 2.6462 2.7295 2.8027 2.9558 3.0259 3.1274 3.1632 3.2692 3.2762 3.4054 3.5670 3.6164 3.6712 3.7504 3.8262 3.9474 3.9761 4.2553 4.3027 4.3528 4.3948 5.0571 5.0641 5.3503 5.3691 5.5370 5.5669 5.7029 5.7381 6.5140 6.5305 6.8801 6.9172 7.2681 7.2972 7.4597 7.4650 7.6723 7.6790 7.8438 7.8484 7.9593 7.9701 9.5796 9.5988 11.6434 11.6750 13.9251 13.9537 15.4523 15.4980 16.2318 16.2643 16.4147 16.4644 17.3747 17.4107 k = 0.1206-0.0778-0.2072 ( 3683 PWs) bands (ev): -11.5837 -11.5821 -10.0220 -10.0140 -9.4531 -9.4515 -9.3278 -9.3195 -9.0523 -9.0486 -9.0056 -9.0048 -1.5018 -1.5010 0.6253 0.6361 1.4099 1.4234 1.9867 2.0252 2.3771 2.3907 2.5430 2.5816 2.6204 2.6444 2.7450 2.8084 2.9576 3.0277 3.1242 3.1605 3.2713 3.2840 3.4153 3.5764 3.6348 3.6937 3.7824 3.8459 3.9640 3.9953 4.2836 4.3289 4.3772 4.4178 5.0804 5.0901 5.3197 5.3537 5.5580 5.5761 5.7320 5.7588 6.4482 6.4644 6.8426 6.8808 7.2520 7.2827 7.4440 7.4496 7.6745 7.6810 7.8208 7.8245 7.9457 7.9573 9.6495 9.6692 11.6215 11.6543 13.8992 13.9280 15.4679 15.5115 16.2458 16.2686 16.4798 16.5348 17.3743 17.4078 k = 0.1287-0.0830-0.2211 ( 3679 PWs) bands (ev): -11.5619 -11.5603 -10.0437 -10.0356 -9.4593 -9.4576 -9.3174 -9.3090 -9.0649 -9.0610 -9.0117 -9.0108 -1.4699 -1.4690 0.5794 0.5891 1.4094 1.4216 1.9982 2.0379 2.3461 2.3562 2.5457 2.5748 2.6265 2.6449 2.7624 2.8183 2.9603 3.0302 3.1210 3.1578 3.2706 3.2940 3.4249 3.5837 3.6521 3.7159 3.8127 3.8632 3.9764 4.0095 4.3132 4.3554 4.4094 4.4476 5.0922 5.1039 5.2868 5.3284 5.5713 5.5961 5.7778 5.7994 6.3831 6.3987 6.8043 6.8434 7.2358 7.2681 7.4273 7.4332 7.6751 7.6810 7.7994 7.8019 7.9320 7.9443 9.7173 9.7374 11.5972 11.6310 13.8754 13.9045 15.4854 15.5262 16.2508 16.2660 16.5462 16.6046 17.3535 17.3840 k = 0.1367-0.0882-0.2349 ( 3675 PWs) bands (ev): -11.5389 -11.5371 -10.0662 -10.0582 -9.4659 -9.4642 -9.3065 -9.2980 -9.0781 -9.0741 -9.0179 -9.0169 -1.4364 -1.4354 0.5347 0.5433 1.4097 1.4204 2.0067 2.0476 2.3155 2.3234 2.5494 2.5679 2.6315 2.6481 2.7806 2.8319 2.9641 3.0334 3.1180 3.1550 3.2699 3.3037 3.4344 3.5900 3.6681 3.7372 3.8399 3.8784 3.9850 4.0196 4.3436 4.3828 4.4488 4.4834 5.0854 5.0934 5.2688 5.3072 5.5838 5.6170 5.8350 5.8562 6.3187 6.3337 6.7656 6.8055 7.2195 7.2530 7.4097 7.4159 7.6735 7.6784 7.7803 7.7811 7.9183 7.9314 9.7826 9.8033 11.5706 11.6054 13.8540 13.8832 15.5034 15.5406 16.2484 16.2600 16.6114 16.6710 17.3211 17.3506 k = 0.1448-0.0934-0.2487 ( 3673 PWs) bands (ev): -11.5147 -11.5128 -10.0894 -10.0815 -9.4729 -9.4711 -9.2952 -9.2868 -9.0920 -9.0878 -9.0243 -9.0231 -1.4013 -1.4002 0.4911 0.4988 1.4107 1.4197 2.0123 2.0547 2.2855 2.2929 2.5538 2.5620 2.6341 2.6542 2.7987 2.8482 2.9689 3.0371 3.1155 3.1521 3.2694 3.3127 3.4435 3.5958 3.6829 3.7569 3.8628 3.8916 3.9905 4.0266 4.3738 4.4111 4.4942 4.5250 5.0562 5.0583 5.2683 5.2958 5.6028 5.6398 5.8997 5.9217 6.2548 6.2694 6.7268 6.7673 7.2027 7.2375 7.3913 7.3978 7.6689 7.6728 7.7624 7.7642 7.9048 7.9186 9.8455 9.8665 11.5420 11.5775 13.8351 13.8644 15.5202 15.5531 16.2398 16.2543 16.6725 16.7310 17.2864 17.3168 k = 0.1528-0.0986-0.2625 ( 3673 PWs) bands (ev): -11.4893 -11.4873 -10.1133 -10.1055 -9.4804 -9.4785 -9.2836 -9.2752 -9.1063 -9.1020 -9.0308 -9.0294 -1.3648 -1.3636 0.4487 0.4555 1.4127 1.4198 2.0156 2.0594 2.2566 2.2647 2.5565 2.5601 2.6353 2.6621 2.8159 2.8663 2.9748 3.0415 3.1137 3.1492 3.2693 3.3211 3.4523 3.6011 3.6966 3.7748 3.8803 3.9029 3.9935 4.0319 4.4022 4.4391 4.5447 4.5725 5.0055 5.0145 5.2733 5.2920 5.6309 5.6682 5.9682 5.9909 6.1917 6.2061 6.6884 6.7295 7.1853 7.2212 7.3723 7.3792 7.6606 7.6642 7.7467 7.7513 7.8915 7.9059 9.9056 9.9272 11.5116 11.5477 13.8188 13.8481 15.5339 15.5616 16.2289 16.2504 16.7262 16.7802 17.2557 17.2894 k = 0.1609-0.1037-0.2763 ( 3669 PWs) bands (ev): -11.4628 -11.4607 -10.1378 -10.1301 -9.4882 -9.4863 -9.2717 -9.2633 -9.1212 -9.1167 -9.0374 -9.0359 -1.3268 -1.3255 0.4074 0.4134 1.4156 1.4207 2.0166 2.0619 2.2290 2.2388 2.5539 2.5658 2.6359 2.6704 2.8321 2.8857 2.9816 3.0465 3.1130 3.1464 3.2695 3.3290 3.4606 3.6062 3.7094 3.7905 3.8920 3.9118 3.9950 4.0373 4.4271 4.4647 4.5995 4.6256 4.9501 4.9628 5.2746 5.2931 5.6678 5.7038 6.0368 6.0599 6.1300 6.1460 6.6509 6.6927 7.1672 7.2040 7.3530 7.3601 7.6482 7.6527 7.7343 7.7414 7.8785 7.8935 9.9630 9.9850 11.4797 11.5162 13.8051 13.8344 15.5422 15.5641 16.2197 16.2493 16.7680 16.8129 17.2343 17.2747 k = 0.1689-0.1089-0.2901 ( 3667 PWs) bands (ev): -11.4351 -11.4329 -10.1628 -10.1552 -9.4964 -9.4945 -9.2596 -9.2514 -9.1363 -9.1317 -9.0441 -9.0424 -1.2875 -1.2861 0.3672 0.3726 1.4196 1.4226 2.0157 2.0623 2.2031 2.2152 2.5523 2.5723 2.6365 2.6782 2.8468 2.9055 2.9892 3.0521 3.1139 3.1438 3.2698 3.3364 3.4685 3.6111 3.7213 3.8038 3.8979 3.9178 3.9960 4.0440 4.4466 4.4858 4.6576 4.6833 4.8966 4.9088 5.2719 5.2960 5.7110 5.7454 6.0638 6.0726 6.1156 6.1383 6.6150 6.6577 7.1483 7.1857 7.3336 7.3409 7.6329 7.6384 7.7247 7.7336 7.8659 7.8814 10.0177 10.0402 11.4466 11.4834 13.7941 13.8234 15.5426 15.5591 16.2151 16.2527 16.7922 16.8244 17.2279 17.2785 k = 0.1769-0.1141-0.3039 ( 3667 PWs) bands (ev): -11.4064 -11.4041 -10.1883 -10.1808 -9.5049 -9.5031 -9.2476 -9.2397 -9.1516 -9.1469 -9.0508 -9.0489 -1.2470 -1.2454 0.3280 0.3330 1.4245 1.4258 2.0131 2.0608 2.1793 2.1940 2.5521 2.5792 2.6373 2.6851 2.8599 2.9253 2.9973 3.0582 3.1171 3.1415 3.2703 3.3434 3.4758 3.6159 3.7321 3.8146 3.8982 3.9203 3.9975 4.0526 4.4584 4.5003 4.7160 4.7426 4.8515 4.8576 5.2687 5.2987 5.7566 5.7895 6.0087 6.0214 6.1770 6.2025 6.5820 6.6261 7.1285 7.1663 7.3143 7.3217 7.6157 7.6217 7.7170 7.7271 7.8537 7.8697 10.0696 10.0925 11.4125 11.4495 13.7858 13.8150 15.5332 15.5456 16.2170 16.2618 16.7952 16.8144 17.2396 17.3016 k = 0.1850-0.1193-0.3178 ( 3669 PWs) bands (ev): -11.3768 -11.3743 -10.2141 -10.2068 -9.5139 -9.5120 -9.2360 -9.2286 -9.1663 -9.1619 -9.0576 -9.0555 -1.2052 -1.2035 0.2899 0.2945 1.4292 1.4315 2.0088 2.0571 2.1579 2.1755 2.5530 2.5859 2.6386 2.6905 2.8718 2.9443 3.0057 3.0646 3.1227 3.1399 3.2708 3.3499 3.4825 3.6204 3.7418 3.8226 3.8939 3.9192 4.0007 4.0629 4.4600 4.5057 4.7559 4.7899 4.8188 4.8420 5.2674 5.3022 5.7956 5.8254 5.9636 5.9778 6.2358 6.2638 6.5543 6.6002 7.1078 7.1456 7.2955 7.3028 7.5974 7.6036 7.7105 7.7210 7.8420 7.8583 10.1188 10.1422 11.3779 11.4149 13.7801 13.8092 15.5129 15.5235 16.2264 16.2768 16.7769 16.7893 17.2681 17.3393 k = 0.1930-0.1245-0.3316 ( 3669 PWs) bands (ev): -11.3461 -11.3435 -10.2402 -10.2330 -9.5231 -9.5213 -9.2261 -9.2203 -9.1786 -9.1753 -9.0643 -9.0621 -1.1624 -1.1605 0.2527 0.2573 1.4344 1.4390 2.0029 2.0513 2.1391 2.1599 2.5547 2.5920 2.6407 2.6941 2.8826 2.9623 3.0142 3.0711 3.1311 3.1394 3.2712 3.3561 3.4886 3.6247 3.7500 3.8267 3.8871 3.9146 4.0061 4.0742 4.4501 4.5002 4.7458 4.7656 4.8638 4.8897 5.2699 5.3079 5.8064 5.8242 5.9558 5.9688 6.2830 6.3137 6.5374 6.5845 7.0865 7.1237 7.2774 7.2843 7.5783 7.5844 7.7044 7.7151 7.8308 7.8474 10.1655 10.1895 11.3429 11.3799 13.7769 13.8060 15.4821 15.4932 16.2426 16.2968 16.7414 16.7565 17.3083 17.3852 k = 0.2011-0.1297-0.3454 ( 3671 PWs) bands (ev): -11.3146 -11.3119 -10.2665 -10.2595 -9.5327 -9.5309 -9.2222 -9.2203 -9.1839 -9.1819 -9.0711 -9.0687 -1.1186 -1.1165 0.2165 0.2211 1.4409 1.4480 1.9954 2.0432 2.1233 2.1473 2.5568 2.5968 2.6439 2.6954 2.8926 2.9788 3.0227 3.0774 3.1390 3.1436 3.2715 3.3619 3.4940 3.6287 3.7563 3.8249 3.8807 3.9073 4.0135 4.0860 4.4297 4.4835 4.7252 4.7370 4.9268 4.9511 5.2776 5.3172 5.7772 5.7843 5.9877 6.0046 6.3118 6.3424 6.5402 6.5849 7.0648 7.1011 7.2600 7.2663 7.5587 7.5647 7.6985 7.7090 7.8200 7.8367 10.2099 10.2344 11.3080 11.3449 13.7762 13.8052 15.4424 15.4551 16.2641 16.3200 16.6970 16.7190 17.3546 17.4339 k = 0.2091-0.1349-0.3592 ( 3669 PWs) bands (ev): -11.2822 -11.2793 -10.2929 -10.2862 -9.5425 -9.5408 -9.2317 -9.2283 -9.1809 -9.1756 -9.0778 -9.0753 -1.0737 -1.0716 0.1813 0.1859 1.4487 1.4583 1.9863 2.0329 2.1106 2.1379 2.5588 2.6000 2.6481 2.6947 2.9022 2.9934 3.0315 3.0830 3.1428 3.1563 3.2715 3.3672 3.4988 3.6322 3.7599 3.8151 3.8777 3.8985 4.0224 4.0978 4.4025 4.4579 4.7060 4.7167 4.9891 5.0117 5.2913 5.3309 5.7311 5.7358 6.0364 6.0560 6.3187 6.3457 6.5664 6.6036 7.0436 7.0783 7.2436 7.2492 7.5389 7.5446 7.6925 7.7027 7.8096 7.8265 10.2521 10.2772 11.2734 11.3100 13.7778 13.8067 15.3959 15.4102 16.2879 16.3433 16.6499 16.6801 17.4029 17.4815 k = 0.2172-0.1401-0.3730 ( 3673 PWs) bands (ev): -11.2490 -11.2460 -10.3195 -10.3129 -9.5526 -9.5509 -9.2470 -9.2422 -9.1712 -9.1647 -9.0845 -9.0818 -1.0281 -1.0257 0.1469 0.1517 1.4578 1.4700 1.9759 2.0207 2.1011 2.1312 2.5600 2.6018 2.6524 2.6927 2.9116 3.0060 3.0406 3.0876 3.1490 3.1711 3.2712 3.3721 3.5027 3.6350 3.7598 3.7980 3.8783 3.8900 4.0323 4.1093 4.3730 4.4277 4.6878 4.7014 5.0466 5.0665 5.3110 5.3495 5.6845 5.6900 6.0889 6.1101 6.3090 6.3326 6.6060 6.6348 7.0241 7.0563 7.2283 7.2329 7.5187 7.5242 7.6864 7.6961 7.7995 7.8165 10.2925 10.3181 11.2395 11.2757 13.7816 13.8104 15.3442 15.3599 16.3099 16.3623 16.6048 16.6453 17.4497 17.5246 k = 0.2252-0.1452-0.3868 ( 3671 PWs) bands (ev): -11.2151 -11.2120 -10.3460 -10.3397 -9.5630 -9.5613 -9.2639 -9.2584 -9.1592 -9.1524 -9.0911 -9.0883 -0.9816 -0.9791 0.1134 0.1185 1.4682 1.4831 1.9643 2.0072 2.0943 2.1270 2.5595 2.6027 2.6546 2.6913 2.9208 3.0169 3.0501 3.0913 3.1580 3.1868 3.2705 3.3764 3.5059 3.6365 3.7540 3.7775 3.8809 3.8830 4.0430 4.1203 4.3449 4.3969 4.6698 4.6875 5.0946 5.1107 5.3365 5.3724 5.6462 5.6528 6.1388 6.1607 6.2930 6.3148 6.6475 6.6688 7.0081 7.0366 7.2140 7.2177 7.4984 7.5036 7.6800 7.6892 7.7898 7.8067 10.3314 10.3576 11.2063 11.2422 13.7873 13.8161 15.2887 15.3056 16.3232 16.3702 16.5684 16.6213 17.4921 17.5604 k = 0.2332-0.1504-0.4007 ( 3663 PWs) bands (ev): -11.1805 -11.1772 -10.3725 -10.3663 -9.5735 -9.5719 -9.2815 -9.2756 -9.1465 -9.1396 -9.0976 -9.0947 -0.9344 -0.9317 0.0807 0.0860 1.4800 1.4975 1.9518 1.9930 2.0899 2.1248 2.5565 2.6028 2.6521 2.6933 2.9299 3.0264 3.0592 3.0951 3.1692 3.2027 3.2697 3.3800 3.5081 3.6361 3.7378 3.7603 3.8786 3.8846 4.0543 4.1308 4.3206 4.3681 4.6514 4.6732 5.1269 5.1382 5.3670 5.3988 5.6226 5.6315 6.1769 6.1961 6.2866 6.3040 6.6834 6.6974 6.9985 7.0216 7.2011 7.2038 7.4780 7.4831 7.6734 7.6820 7.7803 7.7972 10.3691 10.3959 11.1743 11.2097 13.7948 13.8235 15.2306 15.2487 16.3198 16.3594 16.5502 16.6139 17.5273 17.5865 k = 0.2413-0.1556-0.4145 ( 3665 PWs) bands (ev): -11.1453 -11.1419 -10.3989 -10.3929 -9.5843 -9.5827 -9.2994 -9.2933 -9.1335 -9.1267 -9.1039 -9.1010 -0.8866 -0.8837 0.0487 0.0543 1.4931 1.5131 1.9389 1.9786 2.0875 2.1242 2.5506 2.6012 2.6460 2.6989 2.9387 3.0352 3.0662 3.1009 3.1817 3.2185 3.2686 3.3827 3.5092 3.6324 3.7125 3.7483 3.8766 3.8887 4.0663 4.1407 4.3015 4.3430 4.6322 4.6580 5.1373 5.1436 5.4013 5.4283 5.6190 5.6322 6.1873 6.1978 6.3095 6.3179 6.7084 6.7148 6.9976 7.0137 7.1896 7.1919 7.4576 7.4626 7.6666 7.6746 7.7709 7.7877 10.4059 10.4333 11.1436 11.1784 13.8038 13.8325 15.1710 15.1902 16.2964 16.3284 16.5541 16.6231 17.5528 17.6019 k = 0.2493-0.1608-0.4283 ( 3665 PWs) bands (ev): -11.1096 -11.1060 -10.4251 -10.4193 -9.5951 -9.5937 -9.3175 -9.3111 -9.1207 -9.1144 -9.1098 -9.1068 -0.8383 -0.8352 0.0175 0.0234 1.5074 1.5299 1.9258 1.9643 2.0867 2.1250 2.5416 2.5950 2.6407 2.7064 2.9472 3.0436 3.0696 3.1103 3.1943 3.2338 3.2677 3.3846 3.5090 3.6234 3.6863 3.7383 3.8764 3.8930 4.0790 4.1501 4.2880 4.3222 4.6126 4.6420 5.1232 5.1272 5.4386 5.4608 5.6365 5.6544 6.1708 6.1796 6.3475 6.3572 6.7170 6.7211 7.0055 7.0147 7.1804 7.1828 7.4373 7.4423 7.6596 7.6670 7.7616 7.7784 10.4422 10.4703 11.1144 11.1486 13.8141 13.8428 15.1108 15.1312 16.2578 16.2842 16.5735 16.6433 17.5671 17.6075 k = 0.2574-0.1660-0.4421 ( 3663 PWs) bands (ev): -11.0734 -11.0697 -10.4510 -10.4454 -9.6061 -9.6047 -9.3356 -9.3290 -9.1174 -9.1140 -9.1066 -9.1001 -0.7895 -0.7862 -0.0130 -0.0070 1.5228 1.5476 1.9127 1.9503 2.0873 2.1267 2.5298 2.5823 2.6396 2.7145 2.9553 3.0521 3.0699 3.1227 3.2058 3.2484 3.2674 3.3854 3.5073 3.6070 3.6646 3.7304 3.8772 3.8973 4.0929 4.1592 4.2798 4.3058 4.5932 4.6255 5.0881 5.0940 5.4783 5.4966 5.6705 5.6920 6.1456 6.1553 6.3893 6.4018 6.7093 6.7187 7.0178 7.0236 7.1748 7.1774 7.4173 7.4226 7.6525 7.6593 7.7523 7.7690 10.4783 10.5071 11.0867 11.1204 13.8253 13.8540 15.0510 15.0725 16.2104 16.2336 16.6005 16.6691 17.5706 17.6051 k = 0.2654-0.1712-0.4559 ( 3662 PWs) bands (ev): -11.0368 -11.0330 -10.4767 -10.4713 -9.6172 -9.6159 -9.3537 -9.3469 -9.1232 -9.1199 -9.0941 -9.0876 -0.7403 -0.7367 -0.0429 -0.0367 1.5392 1.5662 1.9000 1.9369 2.0890 2.1293 2.5155 2.5642 2.6420 2.7226 2.9630 3.0608 3.0680 3.1369 3.2147 3.2614 3.2692 3.3853 3.5039 3.5837 3.6490 3.7252 3.8782 3.9014 4.1085 4.1683 4.2760 4.2935 4.5746 4.6092 5.0401 5.0484 5.5194 5.5347 5.7140 5.7375 6.1196 6.1298 6.4291 6.4437 6.6940 6.7071 7.0291 7.0351 7.1747 7.1768 7.3978 7.4037 7.6452 7.6515 7.7430 7.7596 10.5146 10.5441 11.0608 11.0939 13.8371 13.8660 14.9923 15.0149 16.1587 16.1803 16.6304 16.6973 17.5657 17.5971 k = 0.2734-0.1764-0.4697 ( 3662 PWs) bands (ev): -11.0000 -10.9960 -10.5019 -10.4968 -9.6283 -9.6270 -9.3717 -9.3646 -9.1292 -9.1259 -9.0814 -9.0751 -0.6908 -0.6870 -0.0723 -0.0659 1.5563 1.5851 1.8878 1.9242 2.0916 2.1324 2.4990 2.5430 2.6463 2.7302 2.9702 3.0646 3.0697 3.1517 3.2197 3.2694 3.2777 3.3842 3.4984 3.5582 3.6383 3.7221 3.8792 3.9052 4.1260 4.1774 4.2735 4.2869 4.5573 4.5936 4.9849 4.9949 5.5613 5.5743 5.7602 5.7846 6.0962 6.1066 6.4625 6.4791 6.6770 6.6918 7.0366 7.0423 7.1810 7.1821 7.3794 7.3862 7.6379 7.6436 7.7337 7.7502 10.5513 10.5816 11.0368 11.0692 13.8493 13.8783 14.9355 14.9592 16.1049 16.1260 16.6609 16.7259 17.5556 17.5850 k = 0.2815-0.1816-0.4836 ( 3668 PWs) bands (ev): -10.9629 -10.9588 -10.5268 -10.5218 -9.6394 -9.6382 -9.3894 -9.3822 -9.1351 -9.1318 -9.0690 -9.0628 -0.6410 -0.6371 -0.1011 -0.0947 1.5738 1.6040 1.8765 1.9127 2.0948 2.1358 2.4806 2.5204 2.6515 2.7372 2.9769 3.0602 3.0787 3.1661 3.2205 3.2751 3.2894 3.3825 3.4909 3.5343 3.6313 3.7207 3.8798 3.9088 4.1458 4.1864 4.2678 4.2892 4.5418 4.5792 4.9256 4.9369 5.6033 5.6145 5.8027 5.8272 6.0788 6.0897 6.4841 6.5028 6.6653 6.6799 7.0390 7.0430 7.1909 7.1931 7.3626 7.3706 7.6306 7.6357 7.7242 7.7406 10.5887 10.6198 11.0146 11.0464 13.8614 13.8905 14.8811 14.9060 16.0506 16.0719 16.6910 16.7541 17.5427 17.5706 k = 0.2895-0.1867-0.4974 ( 3670 PWs) bands (ev): -10.9258 -10.9215 -10.5512 -10.5464 -9.6505 -9.6494 -9.4069 -9.3995 -9.1409 -9.1376 -9.0570 -9.0509 -0.5912 -0.5870 -0.1294 -0.1229 1.5913 1.6222 1.8663 1.9027 2.0985 2.1390 2.4608 2.4977 2.6569 2.7433 2.9831 3.0550 3.0875 3.1793 3.2181 3.2814 3.3001 3.3810 3.4818 3.5148 3.6275 3.7205 3.8801 3.9120 4.1680 4.1947 4.2603 4.2981 4.5286 4.5664 4.8644 4.8766 5.6446 5.6545 5.8341 5.8587 6.0724 6.0846 6.4882 6.5082 6.6656 6.6790 7.0367 7.0387 7.2017 7.2059 7.3484 7.3582 7.6233 7.6279 7.7145 7.7308 10.6269 10.6588 10.9945 11.0256 13.8731 13.9023 14.8300 14.8558 15.9968 16.0184 16.7202 16.7816 17.5284 17.5549 k = 0.2976-0.1919-0.5112 ( 3668 PWs) bands (ev): -10.8886 -10.8842 -10.5751 -10.5705 -9.6616 -9.6606 -9.4241 -9.4165 -9.1465 -9.1432 -9.0452 -9.0393 -0.5413 -0.5369 -0.1572 -0.1506 1.6079 1.6389 1.8579 1.8952 2.1021 2.1417 2.4402 2.4759 2.6622 2.7485 2.9889 3.0494 3.0958 3.1904 3.2136 3.2875 3.3087 3.3804 3.4728 3.5001 3.6266 3.7210 3.8800 3.9149 4.1915 4.2019 4.2527 4.3117 4.5181 4.5557 4.8025 4.8153 5.6849 5.6937 5.8481 5.8736 6.0814 6.0965 6.4746 6.4945 6.6786 6.6910 7.0308 7.0321 7.2104 7.2158 7.3383 7.3499 7.6163 7.6203 7.7048 7.7209 10.6659 10.6987 10.9764 11.0070 13.8839 13.9133 14.7827 14.8095 15.9440 15.9662 16.7486 16.8084 17.5135 17.5386 k = 0.3056-0.1971-0.5250 ( 3668 PWs) bands (ev): -10.8515 -10.8470 -10.5984 -10.5940 -9.6726 -9.6716 -9.4409 -9.4332 -9.1520 -9.1487 -9.0339 -9.0282 -0.4916 -0.4870 -0.1844 -0.1779 1.6228 1.6529 1.8519 1.8910 2.1054 2.1433 2.4194 2.4561 2.6673 2.7527 2.9940 3.0436 3.1033 3.1984 3.2081 3.2929 3.3142 3.3817 3.4664 3.4893 3.6283 3.7221 3.8795 3.9177 4.2037 4.2181 4.2467 4.3296 4.5103 4.5470 4.7410 4.7541 5.7234 5.7317 5.8446 5.8720 6.1056 6.1237 6.4492 6.4678 6.6984 6.7107 7.0225 7.0253 7.2145 7.2204 7.3331 7.3465 7.6095 7.6131 7.6949 7.7108 10.7056 10.7393 10.9607 10.9907 13.8935 13.9229 14.7399 14.7674 15.8927 15.9156 16.7762 16.8346 17.4986 17.5222 k = 0.3137-0.2023-0.5388 ( 3666 PWs) bands (ev): -10.8146 -10.8100 -10.6211 -10.6170 -9.6835 -9.6826 -9.4572 -9.4494 -9.1574 -9.1541 -9.0231 -9.0175 -0.4422 -0.4375 -0.2108 -0.2045 1.6347 1.6631 1.8490 1.8913 2.1076 2.1433 2.3995 2.4394 2.6717 2.7558 2.9985 3.0381 3.1096 3.1995 3.2054 3.2971 3.3169 3.3850 3.4644 3.4815 3.6323 3.7242 3.8789 3.9203 4.2051 4.2279 4.2559 4.3511 4.5054 4.5404 4.6807 4.6941 5.7592 5.7679 5.8301 5.8598 6.1389 6.1592 6.4177 6.4340 6.7193 6.7321 7.0140 7.0184 7.2132 7.2194 7.3325 7.3472 7.6032 7.6064 7.6849 7.7007 10.7456 10.7800 10.9477 10.9771 13.9013 13.9306 14.7022 14.7300 15.8433 15.8669 16.8032 16.8604 17.4834 17.5058 k = 0.3217-0.2075-0.5526 ( 3668 PWs) bands (ev): -10.7780 -10.7732 -10.6432 -10.6392 -9.6943 -9.6934 -9.4730 -9.4650 -9.1626 -9.1594 -9.0127 -9.0074 -0.3937 -0.3891 -0.2361 -0.2299 1.6422 1.6686 1.8503 1.8970 2.1083 2.1410 2.3818 2.4264 2.6753 2.7577 3.0022 3.0334 3.1142 3.1933 3.2065 3.2999 3.3184 3.3893 3.4648 3.4777 3.6383 3.7273 3.8783 3.9228 4.2029 4.2219 4.2816 4.3748 4.5033 4.5359 4.6228 4.6366 5.7867 5.8016 5.8157 5.8425 6.1745 6.1971 6.3837 6.3967 6.7381 6.7517 7.0064 7.0122 7.2080 7.2149 7.3345 7.3501 7.5975 7.6004 7.6750 7.6906 10.7850 10.8194 10.9390 10.9669 13.9071 13.9363 14.6699 14.6979 15.7960 15.8204 16.8300 16.8862 17.4681 17.4893 k = 0.3297-0.2127-0.5664 ( 3664 PWs) bands (ev): -10.7419 -10.7370 -10.6645 -10.6607 -9.7049 -9.7040 -9.4882 -9.4801 -9.1677 -9.1645 -9.0029 -8.9977 -0.3481 -0.3439 -0.2580 -0.2523 1.6444 1.6689 1.8565 1.9083 2.1067 2.1361 2.3676 2.4176 2.6779 2.7586 3.0048 3.0301 3.1170 3.1863 3.2057 3.3007 3.3204 3.3937 3.4628 3.4816 3.6463 3.7320 3.8776 3.9252 4.1976 4.2142 4.3077 4.3989 4.5023 4.5313 4.5709 4.5850 5.7775 5.8186 5.8335 5.8365 6.2073 6.2333 6.3503 6.3581 6.7529 6.7673 7.0008 7.0077 7.2007 7.2092 7.3367 7.3530 7.5925 7.5954 7.6652 7.6806 10.8214 10.8529 10.9389 10.9623 13.9105 13.9394 14.6435 14.6712 15.7513 15.7763 16.8571 16.9124 17.4523 17.4727 k = 0.3378-0.2179-0.5803 ( 3670 PWs) bands (ev): -10.7066 -10.7016 -10.6847 -10.6812 -9.7153 -9.7145 -9.5027 -9.4946 -9.1726 -9.1694 -8.9936 -8.9886 -0.3190 -0.3151 -0.2633 -0.2583 1.6411 1.6642 1.8678 1.9243 2.1025 2.1286 2.3578 2.4133 2.6791 2.7585 3.0063 3.0288 3.1180 3.1793 3.2030 3.2999 3.3236 3.3974 3.4591 3.4901 3.6563 3.7389 3.8770 3.9275 4.1900 4.2064 4.3294 4.4200 4.4905 4.5035 4.5462 4.5586 5.7540 5.8003 5.8604 5.8641 6.2302 6.2637 6.3211 6.3238 6.7622 6.7775 6.9980 7.0055 7.1931 7.2038 7.3376 7.3542 7.5883 7.5914 7.6556 7.6708 10.8503 10.8714 10.9561 10.9676 13.9114 13.9399 14.6230 14.6501 15.7091 15.7347 16.8846 16.9392 17.4360 17.4557 k = 0.3458-0.2230-0.5941 ( 3676 PWs) bands (ev): -10.7054 -10.7021 -10.6706 -10.6657 -9.7256 -9.7248 -9.5166 -9.5084 -9.1773 -9.1742 -8.9850 -8.9801 -0.3287 -0.3231 -0.2316 -0.2256 1.6329 1.6551 1.8835 1.9437 2.0957 2.1190 2.3530 2.4132 2.6789 2.7574 3.0067 3.0296 3.1171 3.1729 3.1992 3.2981 3.3274 3.3999 3.4556 3.4993 3.6683 3.7485 3.8766 3.9297 4.1812 4.1983 4.3429 4.4321 4.4547 4.4589 4.5504 4.5712 5.7291 5.7804 5.8859 5.8902 6.2297 6.2640 6.3105 6.3163 6.7655 6.7814 6.9983 7.0062 7.1862 7.1995 7.3366 7.3532 7.5852 7.5887 7.6466 7.6615 10.8652 10.8760 10.9856 10.9924 13.9097 13.9378 14.6085 14.6346 15.6698 15.6960 16.9131 16.9670 17.4189 17.4382 k = 0.3539-0.2282-0.6079 ( 3674 PWs) bands (ev): -10.7243 -10.7211 -10.6366 -10.6314 -9.7356 -9.7349 -9.5297 -9.5215 -9.1819 -9.1788 -8.9769 -8.9723 -0.3503 -0.3446 -0.1869 -0.1806 1.6209 1.6422 1.9024 1.9647 2.0871 2.1084 2.3532 2.4169 2.6770 2.7557 3.0069 3.0319 3.1150 3.1671 3.1947 3.2960 3.3315 3.4012 3.4529 3.5072 3.6824 3.7615 3.8765 3.9317 4.1719 4.1898 4.3438 4.4054 4.4173 4.4430 4.5732 4.5985 5.7043 5.7610 5.9085 5.9133 6.2062 6.2294 6.3272 6.3313 6.7629 6.7790 7.0018 7.0095 7.1803 7.1966 7.3337 7.3499 7.5831 7.5870 7.6381 7.6528 10.8666 10.8766 11.0193 11.0341 13.9056 13.9333 14.5995 14.6244 15.6335 15.6602 16.9428 16.9961 17.4011 17.4202 k = 0.3619-0.2334-0.6217 ( 3670 PWs) bands (ev): -10.7425 -10.7395 -10.6033 -10.5980 -9.7454 -9.7447 -9.5419 -9.5337 -9.1862 -9.1833 -8.9694 -8.9650 -0.3737 -0.3681 -0.1404 -0.1340 1.6061 1.6263 1.9231 1.9846 2.0779 2.0993 2.3577 2.4235 2.6735 2.7534 3.0075 3.0353 3.1120 3.1619 3.1898 3.2936 3.3354 3.4012 3.4507 3.5125 3.6984 3.7780 3.8767 3.9333 4.1625 4.1808 4.3278 4.3626 4.3905 4.4383 4.6075 4.6345 5.6801 5.7422 5.9279 5.9331 6.1748 6.1913 6.3429 6.3510 6.7552 6.7711 7.0076 7.0149 7.1751 7.1947 7.3297 7.3448 7.5821 7.5864 7.6305 7.6448 10.8628 10.8746 11.0597 11.0791 13.8995 13.9267 14.5956 14.6191 15.6003 15.6273 16.9740 17.0266 17.3826 17.4017 k = 0.3700-0.2386-0.6355 ( 3670 PWs) bands (ev): -10.7599 -10.7570 -10.5709 -10.5656 -9.7549 -9.7542 -9.5533 -9.5452 -9.1904 -9.1875 -8.9626 -8.9583 -0.3971 -0.3918 -0.0938 -0.0873 1.5890 1.6080 1.9437 1.9992 2.0697 2.0960 2.3658 2.4323 2.6684 2.7506 3.0088 3.0390 3.1087 3.1568 3.1851 3.2910 3.3389 3.4001 3.4490 3.5147 3.7160 3.7978 3.8775 3.9343 4.1532 4.1714 4.2990 4.3228 4.3743 4.4282 4.6494 4.6761 5.6566 5.7240 5.9437 5.9497 6.1423 6.1541 6.3562 6.3668 6.7436 6.7589 7.0145 7.0215 7.1696 7.1926 7.3257 7.3393 7.5821 7.5865 7.6239 7.6377 10.8581 10.8710 11.1032 11.1250 13.8916 13.9185 14.5960 14.6180 15.5703 15.5975 17.0068 17.0586 17.3635 17.3828 k = 0.6300 0.0339-0.4468 ( 3670 PWs) bands (ev): -10.7599 -10.7570 -10.5709 -10.5656 -9.7549 -9.7542 -9.5533 -9.5452 -9.1904 -9.1875 -8.9626 -8.9583 -0.3971 -0.3918 -0.0938 -0.0873 1.5890 1.6080 1.9437 1.9992 2.0697 2.0960 2.3658 2.4323 2.6684 2.7506 3.0088 3.0390 3.1087 3.1568 3.1851 3.2910 3.3389 3.4001 3.4490 3.5147 3.7160 3.7978 3.8775 3.9343 4.1532 4.1714 4.2990 4.3228 4.3743 4.4282 4.6494 4.6761 5.6566 5.7240 5.9437 5.9496 6.1423 6.1541 6.3562 6.3668 6.7436 6.7589 7.0145 7.0215 7.1696 7.1926 7.3257 7.3393 7.5821 7.5865 7.6239 7.6377 10.8581 10.8710 11.1032 11.1250 13.8916 13.9185 14.5960 14.6180 15.5703 15.5975 17.0068 17.0586 17.3635 17.3828 k = 0.6224 0.0479-0.4468 ( 3666 PWs) bands (ev): -10.7755 -10.7729 -10.5412 -10.5359 -9.7637 -9.7630 -9.5634 -9.5553 -9.1942 -9.1914 -8.9566 -8.9526 -0.4191 -0.4140 -0.0499 -0.0433 1.5712 1.5890 1.9607 2.0040 2.0652 2.1031 2.3761 2.4420 2.6623 2.7475 3.0109 3.0425 3.1060 3.1516 3.1813 3.2882 3.3417 3.3983 3.4479 3.5142 3.7339 3.8193 3.8790 3.9345 4.1442 4.1625 4.2694 4.2889 4.3608 4.4144 4.6938 4.7193 5.6349 5.7068 5.9554 5.9621 6.1122 6.1204 6.3653 6.3779 6.7301 6.7444 7.0210 7.0279 7.1630 7.1892 7.3233 7.3355 7.5828 7.5871 7.6186 7.6317 10.8538 10.8671 11.1457 11.1685 13.8831 13.9096 14.5998 14.6203 15.5447 15.5720 17.0395 17.0905 17.3450 17.3646 k = 0.6147 0.0620-0.4468 ( 3668 PWs) bands (ev): -10.7903 -10.7879 -10.5126 -10.5073 -9.7722 -9.7716 -9.5726 -9.5646 -9.1977 -9.1951 -8.9513 -8.9474 -0.4405 -0.4357 -0.0068 -0.0002 1.5522 1.5687 1.9714 2.0003 2.0673 2.1202 2.3881 2.4524 2.6552 2.7439 3.0138 3.0451 3.1043 3.1453 3.1788 3.2847 3.3437 3.3961 3.4473 3.5115 3.7520 3.8429 3.8814 3.9336 4.1351 4.1539 4.2419 4.2594 4.3460 4.3974 4.7414 4.7651 5.6136 5.6893 5.9638 5.9714 6.0835 6.0893 6.3709 6.3854 6.7153 6.7283 7.0266 7.0336 7.1541 7.1826 7.3238 7.3345 7.5841 7.5878 7.6146 7.6266 10.8498 10.8631 11.1882 11.2115 13.8740 13.9002 14.6061 14.6252 15.5221 15.5493 17.0738 17.1238 17.3263 17.3465 k = 0.6071 0.0760-0.4468 ( 3658 PWs) bands (ev): -10.8043 -10.8020 -10.4853 -10.4800 -9.7804 -9.7798 -9.5809 -9.5731 -9.2011 -9.1986 -8.9464 -8.9428 -0.4613 -0.4568 0.0354 0.0421 1.5323 1.5476 1.9736 1.9919 2.0787 2.1434 2.4013 2.4630 2.6474 2.7400 3.0176 3.0463 3.1040 3.1378 3.1780 3.2804 3.3449 3.3936 3.4476 3.5076 3.7696 3.8680 3.8852 3.9317 4.1259 4.1458 4.2181 4.2344 4.3293 4.3776 4.7912 4.8130 5.5927 5.6712 5.9685 5.9772 6.0567 6.0614 6.3733 6.3897 6.7000 6.7115 7.0299 7.0378 7.1429 7.1722 7.3279 7.3376 7.5856 7.5882 7.6119 7.6224 10.8463 10.8593 11.2301 11.2534 13.8647 13.8906 14.6143 14.6321 15.5023 15.5293 17.1095 17.1581 17.3078 17.3289 k = 0.5994 0.0900-0.4468 ( 3656 PWs) bands (ev): -10.8174 -10.8152 -10.4593 -10.4541 -9.7883 -9.7877 -9.5883 -9.5807 -9.2043 -9.2019 -8.9421 -8.9387 -0.4812 -0.4770 0.0765 0.0832 1.5117 1.5257 1.9692 1.9816 2.0978 2.1697 2.4151 2.4733 2.6390 2.7355 3.0221 3.0457 3.1050 3.1293 3.1785 3.2749 3.3453 3.3912 3.4489 3.5035 3.7854 3.8904 3.8938 3.9291 4.1167 4.1382 4.1983 4.2135 4.3110 4.3554 4.8427 4.8624 5.5721 5.6520 5.9697 5.9793 6.0323 6.0368 6.3732 6.3914 6.6850 6.6950 7.0294 7.0395 7.1306 7.1585 7.3357 7.3446 7.5872 7.5883 7.6107 7.6190 10.8432 10.8558 11.2709 11.2938 13.8557 13.8810 14.6240 14.6405 15.4854 15.5119 17.1462 17.1927 17.2896 17.3128 k = 0.5918 0.1041-0.4468 ( 3648 PWs) bands (ev): -10.8296 -10.8276 -10.4347 -10.4296 -9.7959 -9.7953 -9.5949 -9.5876 -9.2073 -9.2050 -8.9383 -8.9352 -0.5002 -0.4962 0.1164 0.1230 1.4907 1.5035 1.9614 1.9710 2.1214 2.1975 2.4291 2.4830 2.6302 2.7305 3.0271 3.0436 3.1061 3.1208 3.1802 3.2681 3.3448 3.3890 3.4514 3.5004 3.7987 3.8968 3.9174 3.9291 4.1078 4.1313 4.1823 4.1963 4.2916 4.3315 4.8953 4.9129 5.5518 5.6315 5.9671 5.9767 6.0115 6.0149 6.3714 6.3912 6.6708 6.6794 7.0232 7.0374 7.1192 7.1433 7.3467 7.3549 7.5872 7.5892 7.6108 7.6167 10.8405 10.8526 11.3102 11.3324 13.8471 13.8718 14.6344 14.6497 15.4712 15.4970 17.1828 17.2254 17.2725 17.3011 k = 0.5841 0.1181-0.4468 ( 3650 PWs) bands (ev): -10.8409 -10.8390 -10.4118 -10.4068 -9.8030 -9.8025 -9.6007 -9.5937 -9.2100 -9.2079 -8.9350 -8.9321 -0.5181 -0.5145 0.1548 0.1613 1.4695 1.4812 1.9523 1.9607 2.1474 2.2261 2.4428 2.4917 2.6212 2.7248 3.0323 3.0402 3.1033 3.1160 3.1824 3.2600 3.3437 3.3868 3.4552 3.4997 3.8087 3.8998 3.9266 3.9483 4.0990 4.1250 4.1696 4.1822 4.2721 4.3062 4.9487 4.9642 5.5321 5.6099 5.9605 5.9686 5.9941 5.9964 6.3688 6.3899 6.6579 6.6654 7.0099 7.0295 7.1110 7.1295 7.3600 7.3675 7.5860 7.5904 7.6114 7.6156 10.8383 10.8496 11.3476 11.3689 13.8392 13.8631 14.6452 14.6594 15.4595 15.4844 17.2144 17.2489 17.2587 17.3035 k = 0.5765 0.1321-0.4468 ( 3652 PWs) bands (ev): -10.8512 -10.8496 -10.3904 -10.3857 -9.8098 -9.8093 -9.6056 -9.5990 -9.2126 -9.2106 -8.9322 -8.9295 -0.5349 -0.5316 0.1915 0.1978 1.4485 1.4591 1.9432 1.9510 2.1747 2.2551 2.4560 2.4993 2.6120 2.7183 3.0356 3.0381 3.0944 3.1164 3.1848 3.2509 3.3424 3.3846 3.4606 3.5022 3.8157 3.8964 3.9371 3.9729 4.0898 4.1191 4.1591 4.1713 4.2536 4.2804 5.0022 5.0158 5.5133 5.5874 5.9491 5.9570 5.9752 5.9841 6.3665 6.3884 6.6464 6.6534 6.9898 7.0146 7.1063 7.1194 7.3747 7.3816 7.5845 7.5909 7.6121 7.6160 10.8364 10.8470 11.3828 11.4030 13.8322 13.8550 14.6561 14.6691 15.4503 15.4739 17.2236 17.2410 17.2794 17.3283 k = 0.5688 0.1462-0.4468 ( 3650 PWs) bands (ev): -10.8606 -10.8591 -10.3708 -10.3663 -9.8161 -9.8156 -9.6097 -9.6035 -9.2149 -9.2131 -8.9298 -8.9273 -0.5504 -0.5474 0.2263 0.2324 1.4279 1.4374 1.9346 1.9420 2.2027 2.2841 2.4683 2.5057 2.6027 2.7109 3.0312 3.0431 3.0836 3.1177 3.1867 3.2413 3.3414 3.3823 3.4678 3.5085 3.8202 3.8895 3.9509 3.9968 4.0789 4.1137 4.1496 4.1641 4.2370 4.2548 5.0554 5.0673 5.4961 5.5647 5.9330 5.9430 5.9576 5.9724 6.3653 6.3877 6.6367 6.6437 6.9647 6.9929 7.1041 7.1133 7.3902 7.3964 7.5829 7.5907 7.6129 7.6175 10.8349 10.8446 11.4156 11.4344 13.8262 13.8476 14.6667 14.6785 15.4431 15.4653 17.2148 17.2276 17.3162 17.3630 k = 0.5612 0.1602-0.4468 ( 3658 PWs) bands (ev): -10.8690 -10.8677 -10.3530 -10.3488 -9.8219 -9.8214 -9.6132 -9.6075 -9.2170 -9.2154 -8.9277 -8.9255 -0.5646 -0.5619 0.2589 0.2646 1.4079 1.4164 1.9267 1.9338 2.2309 2.3129 2.4795 2.5109 2.5932 2.7023 3.0263 3.0480 3.0723 3.1183 3.1880 3.2316 3.3411 3.3797 3.4773 3.5182 3.8231 3.8817 3.9645 4.0190 4.0653 4.1085 4.1413 4.1604 4.2229 4.2308 5.1074 5.1183 5.4812 5.5427 5.9137 5.9229 5.9442 5.9601 6.3661 6.3885 6.6290 6.6363 6.9366 6.9665 7.1033 7.1101 7.4058 7.4114 7.5812 7.5896 7.6141 7.6193 10.8337 10.8425 11.4457 11.4629 13.8211 13.8410 14.6768 14.6874 15.4379 15.4584 17.2029 17.2142 17.3558 17.3998 k = 0.5535 0.1742-0.4468 ( 3666 PWs) bands (ev): -10.8765 -10.8753 -10.3371 -10.3333 -9.8271 -9.8267 -9.6159 -9.6108 -9.2188 -9.2174 -8.9260 -8.9241 -0.5773 -0.5750 0.2889 0.2943 1.3891 1.3966 1.9199 1.9265 2.2590 2.3410 2.4895 2.5148 2.5836 2.6922 3.0214 3.0525 3.0611 3.1178 3.1884 3.2224 3.3416 3.3768 3.4896 3.5306 3.8248 3.8738 3.9752 4.0386 4.0488 4.1039 4.1353 4.1592 4.2076 4.2136 5.1566 5.1682 5.4701 5.5228 5.8899 5.8980 5.9340 5.9475 6.3690 6.3911 6.6233 6.6311 6.9070 6.9371 7.1032 7.1084 7.4211 7.4259 7.5795 7.5880 7.6155 7.6210 10.8328 10.8406 11.4728 11.4883 13.8171 13.8351 14.6861 14.6955 15.4344 15.4529 17.1913 17.2016 17.3953 17.4363 k = 0.5459 0.1883-0.4468 ( 3670 PWs) bands (ev): -10.8830 -10.8820 -10.3231 -10.3197 -9.8318 -9.8314 -9.6180 -9.6135 -9.2204 -9.2192 -8.9246 -8.9229 -0.5885 -0.5865 0.3162 0.3211 1.3716 1.3782 1.9140 1.9200 2.2869 2.3682 2.4984 2.5175 2.5739 2.6805 3.0167 3.0494 3.0575 3.1160 3.1882 3.2142 3.3429 3.3738 3.5044 3.5450 3.8257 3.8665 3.9802 4.0288 4.0567 4.1011 4.1319 4.1595 4.1900 4.2050 5.2012 5.2159 5.4641 5.5072 5.8602 5.8702 5.9253 5.9358 6.3743 6.3954 6.6199 6.6281 6.8771 6.9065 7.1034 7.1076 7.4357 7.4398 7.5777 7.5859 7.6171 7.6225 10.8322 10.8390 11.4968 11.5104 13.8140 13.8300 14.6945 14.7026 15.4322 15.4486 17.1809 17.1901 17.4337 17.4711 k = 0.5382 0.2023-0.4468 ( 3672 PWs) bands (ev): -10.8884 -10.8876 -10.3111 -10.3082 -9.8358 -9.8355 -9.6196 -9.6158 -9.2217 -9.2207 -8.9235 -8.9221 -0.5981 -0.5964 0.3402 0.3445 1.3561 1.3616 1.9093 1.9145 2.3142 2.3936 2.5062 2.5193 2.5644 2.6670 3.0124 3.0391 3.0617 3.1130 3.1878 3.2071 3.3448 3.3709 3.5213 3.5602 3.8260 3.8601 3.9775 4.0088 4.0711 4.1016 4.1306 4.1596 4.1772 4.1989 5.2389 5.2589 5.4650 5.4994 5.8255 5.8390 5.9178 5.9257 6.3814 6.4011 6.6188 6.6272 6.8480 6.8758 7.1037 7.1070 7.4491 7.4524 7.5759 7.5835 7.6187 7.6237 10.8318 10.8375 11.5176 11.5292 13.8118 13.8255 14.7019 14.7088 15.4311 15.4451 17.1720 17.1799 17.4698 17.5030 k = 0.5306 0.2163-0.4468 ( 3666 PWs) bands (ev): -10.8929 -10.8923 -10.3012 -10.2988 -9.8392 -9.8389 -9.6207 -9.6176 -9.2228 -9.2220 -8.9226 -8.9215 -0.6060 -0.6046 0.3607 0.3643 1.3427 1.3472 1.9055 1.9099 2.3408 2.4160 2.5128 2.5204 2.5559 2.6518 3.0087 3.0296 3.0661 3.1089 3.1875 3.2015 3.3470 3.3680 3.5395 3.5750 3.8258 3.8546 3.9677 3.9896 4.0829 4.1052 4.1307 4.1563 4.1722 4.1943 5.2678 5.2929 5.4743 5.5044 5.7870 5.8041 5.9117 5.9173 6.3898 6.4072 6.6200 6.6282 6.8207 6.8461 7.1041 7.1067 7.4610 7.4636 7.5742 7.5808 7.6202 7.6245 10.8316 10.8362 11.5350 11.5444 13.8104 13.8216 14.7083 14.7138 15.4309 15.4423 17.1647 17.1713 17.5026 17.5308 k = 0.5229 0.2304-0.4468 ( 3668 PWs) bands (ev): -10.8964 -10.8959 -10.2933 -10.2915 -9.8418 -9.8416 -9.6214 -9.6190 -9.2236 -9.2230 -8.9219 -8.9211 -0.6121 -0.6111 0.3772 0.3800 1.3320 1.3354 1.9027 1.9061 2.3660 2.4328 2.5171 2.5223 2.5504 2.6349 3.0060 3.0213 3.0707 3.1039 3.1874 3.1970 3.3494 3.3652 3.5578 3.5878 3.8257 3.8497 3.9547 3.9721 4.0924 4.1098 4.1317 4.1507 4.1731 4.1906 5.2877 5.3137 5.4943 5.5246 5.7456 5.7657 5.9068 5.9107 6.3985 6.4127 6.6233 6.6310 6.7969 6.8186 7.1044 7.1063 7.4710 7.4729 7.5727 7.5780 7.6215 7.6250 10.8316 10.8351 11.5489 11.5561 13.8097 13.8183 14.7134 14.7176 15.4313 15.4400 17.1593 17.1643 17.5309 17.5532 k = 0.5153 0.2444-0.4468 ( 3666 PWs) bands (ev): -10.8988 -10.8985 -10.2876 -10.2864 -9.8437 -9.8436 -9.6217 -9.6201 -9.2242 -9.2238 -8.9214 -8.9208 -0.6165 -0.6159 0.3894 0.3913 1.3242 1.3265 1.9010 1.9033 2.3894 2.4410 2.5185 2.5244 2.5520 2.6167 3.0045 3.0145 3.0757 3.0983 3.1876 3.1937 3.3519 3.3624 3.5747 3.5968 3.8265 3.8448 3.9436 3.9568 4.1000 4.1129 4.1335 4.1462 4.1757 4.1874 5.3008 5.3215 5.5259 5.5563 5.7022 5.7249 5.9034 5.9059 6.4065 6.4167 6.6281 6.6345 6.7784 6.7947 7.1048 7.1060 7.4787 7.4799 7.5717 7.5754 7.6227 7.6251 10.8318 10.8342 11.5593 11.5641 13.8098 13.8155 14.7173 14.7201 15.4322 15.4380 17.1556 17.1590 17.5535 17.5690 k = 0.5076 0.2585-0.4468 ( 3660 PWs) bands (ev): -10.9003 -10.9001 -10.2840 -10.2834 -9.8449 -9.8448 -9.6217 -9.6209 -9.2245 -9.2243 -8.9210 -8.9208 -0.6191 -0.6188 0.3971 0.3981 1.3197 1.3208 1.9002 1.9013 2.4104 2.4387 2.5199 2.5239 2.5628 2.5978 3.0045 3.0094 3.0810 3.0925 3.1883 3.1913 3.3545 3.3597 3.5885 3.6004 3.8291 3.8393 3.9376 3.9450 4.1060 4.1130 4.1363 4.1428 4.1786 4.1845 5.3097 5.3210 5.5654 5.5939 5.6583 5.6827 5.9016 5.9028 6.4130 6.4183 6.6332 6.6370 6.7677 6.7767 7.1051 7.1057 7.4836 7.4842 7.5713 7.5732 7.6237 7.6249 10.8322 10.8333 11.5660 11.5684 13.8104 13.8133 14.7200 14.7214 15.4334 15.4363 17.1537 17.1555 17.5693 17.5773 k = 0.5000 0.2725-0.4468 ( 3664 PWs) bands (ev): -10.9007 -10.9007 -10.2826 -10.2826 -9.8452 -9.8452 -9.6215 -9.6215 -9.2245 -9.2245 -8.9208 -8.9208 -0.6199 -0.6199 0.4000 0.4000 1.3185 1.3185 1.9003 1.9003 2.4275 2.4275 2.5219 2.5219 2.5791 2.5791 3.0061 3.0061 3.0866 3.0866 3.1895 3.1895 3.3571 3.3571 3.5975 3.5975 3.8336 3.8336 3.9381 3.9381 4.1104 4.1104 4.1396 4.1396 4.1816 4.1816 5.3164 5.3164 5.6063 5.6063 5.6427 5.6427 5.9013 5.9013 6.4170 6.4170 6.6366 6.6366 6.7670 6.7670 7.1054 7.1054 7.4855 7.4855 7.5718 7.5718 7.6244 7.6244 10.8327 10.8327 11.5691 11.5691 13.8116 13.8116 14.7213 14.7213 15.4347 15.4347 17.1537 17.1537 17.5774 17.5774 k = 0.5000 0.2725-0.4468 ( 3664 PWs) bands (ev): -10.9007 -10.9007 -10.2826 -10.2826 -9.8452 -9.8452 -9.6215 -9.6215 -9.2245 -9.2245 -8.9208 -8.9208 -0.6199 -0.6199 0.4000 0.4000 1.3185 1.3185 1.9003 1.9003 2.4275 2.4275 2.5219 2.5219 2.5791 2.5791 3.0061 3.0061 3.0866 3.0866 3.1895 3.1895 3.3571 3.3571 3.5975 3.5975 3.8336 3.8336 3.9381 3.9381 4.1104 4.1104 4.1396 4.1396 4.1816 4.1816 5.3164 5.3164 5.6063 5.6063 5.6427 5.6427 5.9013 5.9013 6.4170 6.4170 6.6366 6.6366 6.7670 6.7670 7.1054 7.1054 7.4855 7.4855 7.5718 7.5718 7.6244 7.6244 10.8327 10.8327 11.5691 11.5691 13.8116 13.8116 14.7213 14.7213 15.4347 15.4347 17.1537 17.1537 17.5774 17.5774 k = 0.5087 0.2772-0.4342 ( 3662 PWs) bands (ev): -10.9003 -10.9001 -10.2843 -10.2841 -9.8450 -9.8448 -9.6211 -9.6211 -9.2240 -9.2237 -8.9211 -8.9211 -0.6192 -0.6190 0.3981 0.3983 1.3195 1.3200 1.9007 1.9008 2.4267 2.4273 2.5211 2.5230 2.5791 2.5792 3.0020 3.0076 3.0844 3.0890 3.1871 3.1916 3.3564 3.3588 3.5954 3.6006 3.8204 3.8420 3.9323 3.9458 4.1038 4.1069 4.1403 4.1475 4.1836 4.1837 5.3142 5.3184 5.6061 5.6069 5.6422 5.6465 5.8996 5.9003 6.4169 6.4174 6.6376 6.6393 6.7678 6.7679 7.1023 7.1038 7.4854 7.4864 7.5655 7.5702 7.6247 7.6281 10.8334 10.8343 11.5678 11.5686 13.8119 13.8125 14.7198 14.7206 15.4347 15.4369 17.1518 17.1522 17.5767 17.5786 k = 0.5173 0.2819-0.4216 ( 3664 PWs) bands (ev): -10.8988 -10.8984 -10.2890 -10.2886 -9.8440 -9.8436 -9.6201 -9.6201 -9.2223 -9.2217 -8.9218 -8.9218 -0.6169 -0.6166 0.3926 0.3931 1.3229 1.3239 1.9022 1.9025 2.4249 2.4259 2.5207 2.5244 2.5792 2.5792 2.9954 3.0067 3.0820 3.0913 3.1844 3.1933 3.3567 3.3615 3.5943 3.6048 3.8045 3.8432 3.9305 3.9531 4.0928 4.0970 4.1458 4.1581 4.1902 4.1903 5.3121 5.3202 5.6062 5.6074 5.6457 5.6537 5.8951 5.8967 6.4172 6.4182 6.6420 6.6453 6.7702 6.7703 7.0944 7.0974 7.4861 7.4880 7.5537 7.5614 7.6285 7.6337 10.8364 10.8381 11.5650 11.5666 13.8133 13.8146 14.7160 14.7176 15.4368 15.4412 17.1466 17.1474 17.5764 17.5802 k = 0.5260 0.2867-0.4090 ( 3662 PWs) bands (ev): -10.8962 -10.8957 -10.2967 -10.2961 -9.8423 -9.8417 -9.6185 -9.6184 -9.2194 -9.2185 -8.9231 -8.9230 -0.6131 -0.6127 0.3835 0.3843 1.3288 1.3303 1.9046 1.9050 2.4221 2.4236 2.5208 2.5260 2.5792 2.5793 2.9864 3.0031 3.0798 3.0936 3.1817 3.1951 3.3578 3.3651 3.5941 3.6099 3.7870 3.8368 3.9331 3.9587 4.0806 4.0857 4.1511 4.1677 4.2011 4.2023 5.3100 5.3217 5.6061 5.6071 5.6537 5.6644 5.8883 5.8906 6.4179 6.4194 6.6496 6.6545 6.7741 6.7743 7.0820 7.0865 7.4874 7.4904 7.5384 7.5482 7.6331 7.6389 10.8416 10.8442 11.5605 11.5629 13.8160 13.8179 14.7099 14.7124 15.4412 15.4477 17.1383 17.1395 17.5765 17.5822 k = 0.5347 0.2914-0.3964 ( 3665 PWs) bands (ev): -10.8925 -10.8919 -10.3073 -10.3065 -9.8399 -9.8392 -9.6162 -9.6161 -9.2153 -9.2142 -8.9248 -8.9247 -0.6077 -0.6072 0.3710 0.3720 1.3371 1.3391 1.9078 1.9083 2.4183 2.4201 2.5213 2.5277 2.5791 2.5796 2.9749 2.9968 3.0777 3.0957 3.1792 3.1969 3.3595 3.3691 3.5948 3.6159 3.7688 3.8246 3.9379 3.9616 4.0681 4.0748 4.1563 4.1764 4.2157 4.2189 5.3083 5.3231 5.6051 5.6054 5.6660 5.6783 5.8796 5.8825 6.4192 6.4211 6.6602 6.6665 6.7794 6.7797 7.0653 7.0712 7.4894 7.4933 7.5212 7.5323 7.6367 7.6427 10.8489 10.8524 11.5543 11.5575 13.8198 13.8223 14.7017 14.7050 15.4477 15.4564 17.1272 17.1287 17.5770 17.5846 k = 0.5433 0.2961-0.3838 ( 3667 PWs) bands (ev): -10.8878 -10.8870 -10.3207 -10.3198 -9.8368 -9.8359 -9.6132 -9.6131 -9.2103 -9.2089 -8.9269 -8.9268 -0.6008 -0.6002 0.3551 0.3564 1.3477 1.3504 1.9120 1.9125 2.4136 2.4157 2.5222 2.5295 2.5791 2.5802 2.9611 2.9876 3.0760 3.0978 3.1773 3.1992 3.3615 3.3734 3.5959 3.6225 3.7505 3.8088 3.9424 3.9614 4.0558 4.0643 4.1624 4.1856 4.2329 4.2388 5.3070 5.3244 5.6023 5.6029 5.6823 5.6954 5.8695 5.8730 6.4211 6.4234 6.6732 6.6809 6.7860 6.7863 7.0446 7.0519 7.4915 7.4954 7.5040 7.5153 7.6386 7.6446 10.8583 10.8627 11.5464 11.5504 13.8248 13.8279 14.6913 14.6954 15.4566 15.4674 17.1138 17.1156 17.5779 17.5874 k = 0.5520 0.3008-0.3713 ( 3672 PWs) bands (ev): -10.8821 -10.8811 -10.3368 -10.3357 -9.8331 -9.8319 -9.6095 -9.6095 -9.2043 -9.2027 -8.9296 -8.9294 -0.5925 -0.5917 0.3360 0.3374 1.3608 1.3640 1.9170 1.9175 2.4080 2.4104 2.5235 2.5313 2.5791 2.5811 2.9450 2.9754 3.0748 3.0998 3.1760 3.2019 3.3636 3.3778 3.5972 3.6294 3.7325 3.7910 3.9449 3.9581 4.0437 4.0543 4.1704 4.1960 4.2523 4.2612 5.3061 5.3255 5.5976 5.5988 5.7018 5.7150 5.8590 5.8628 6.4237 6.4264 6.6884 6.6973 6.7933 6.7937 7.0206 7.0291 7.4805 7.4887 7.5027 7.5033 7.6384 7.6443 10.8696 10.8748 11.5368 11.5415 13.8310 13.8345 14.6788 14.6838 15.4679 15.4808 17.0984 17.1004 17.5791 17.5906 k = 0.5607 0.3056-0.3587 ( 3672 PWs) bands (ev): -10.8753 -10.8742 -10.3554 -10.3541 -9.8286 -9.8273 -9.6052 -9.6051 -9.1976 -9.1958 -8.9327 -8.9325 -0.5826 -0.5817 0.3137 0.3153 1.3762 1.3801 1.9227 1.9232 2.4016 2.4041 2.5252 2.5330 2.5792 2.5822 2.9269 2.9605 3.0744 3.1016 3.1753 3.2052 3.3656 3.3821 3.5980 3.6364 3.7156 3.7722 3.9447 3.9519 4.0320 4.0446 4.1809 4.2080 4.2737 4.2855 5.3057 5.3265 5.5910 5.5926 5.7238 5.7367 5.8488 5.8526 6.4269 6.4301 6.7053 6.7153 6.8008 6.8015 6.9942 7.0038 7.4596 7.4718 7.5038 7.5084 7.6361 7.6418 10.8826 10.8888 11.5254 11.5308 13.8383 13.8423 14.6643 14.6701 15.4818 15.4967 17.0817 17.0837 17.5806 17.5941 k = 0.5694 0.3103-0.3461 ( 3674 PWs) bands (ev): -10.8675 -10.8662 -10.3762 -10.3748 -9.8235 -9.8220 -9.6003 -9.6002 -9.1902 -9.1883 -8.9362 -8.9360 -0.5713 -0.5702 0.2885 0.2902 1.3939 1.3986 1.9291 1.9295 2.3943 2.3971 2.5272 2.5347 2.5793 2.5837 2.9070 2.9429 3.0749 3.1034 3.1752 3.2090 3.3672 3.3860 3.5972 3.6429 3.7008 3.7532 3.9420 3.9433 4.0205 4.0348 4.1940 4.2212 4.2970 4.3118 5.3057 5.3274 5.5822 5.5837 5.7477 5.7597 5.8399 5.8434 6.4309 6.4345 6.7236 6.7344 6.8070 6.8083 6.9673 6.9774 7.4376 7.4511 7.5086 7.5145 7.6316 7.6371 10.8973 10.9043 11.5121 11.5183 13.8468 13.8512 14.6478 14.6544 15.4983 15.5152 17.0639 17.0659 17.5824 17.5978 k = 0.5780 0.3150-0.3335 ( 3671 PWs) bands (ev): -10.8587 -10.8572 -10.3992 -10.3976 -9.8177 -9.8160 -9.5947 -9.5946 -9.1824 -9.1803 -8.9402 -8.9400 -0.5586 -0.5574 0.2605 0.2623 1.4139 1.4195 1.9360 1.9363 2.3863 2.3892 2.5296 2.5364 2.5794 2.5854 2.8857 2.9232 3.0763 3.1051 3.1755 3.2131 3.3684 3.3894 3.5935 3.6479 3.6895 3.7353 3.9329 3.9371 4.0093 4.0250 4.2091 4.2356 4.3225 4.3399 5.3059 5.3279 5.5710 5.5719 5.7727 5.7834 5.8334 5.8360 6.4354 6.4395 6.7427 6.7542 6.8093 6.8119 6.9431 6.9527 7.4148 7.4291 7.5146 7.5214 7.6250 7.6303 10.9133 10.9213 11.4970 11.5039 13.8565 13.8611 14.6296 14.6370 15.5175 15.5363 17.0455 17.0475 17.5843 17.6017 k = 0.5867 0.3197-0.3209 ( 3667 PWs) bands (ev): -10.8489 -10.8472 -10.4241 -10.4225 -9.8113 -9.8094 -9.5885 -9.5884 -9.1742 -9.1719 -8.9445 -8.9443 -0.5444 -0.5432 0.2297 0.2316 1.4361 1.4426 1.9434 1.9435 2.3777 2.3808 2.5323 2.5379 2.5795 2.5872 2.8634 2.9017 3.0786 3.1068 3.1761 3.2176 3.3689 3.3922 3.5858 3.6497 3.6827 3.7202 3.9211 3.9304 3.9984 4.0150 4.2259 4.2507 4.3501 4.3699 5.3061 5.3280 5.5568 5.5569 5.7974 5.8055 5.8316 5.8321 6.4405 6.4451 6.7622 6.7734 6.8037 6.8084 6.9267 6.9341 7.3915 7.4062 7.5215 7.5291 7.6164 7.6216 10.9307 10.9396 11.4799 11.4876 13.8673 13.8722 14.6096 14.6178 15.5394 15.5602 17.0268 17.0289 17.5863 17.6056 k = 0.5954 0.3245-0.3083 ( 3667 PWs) bands (ev): -10.8380 -10.8362 -10.4508 -10.4490 -9.8043 -9.8022 -9.5816 -9.5815 -9.1659 -9.1635 -8.9492 -8.9490 -0.5290 -0.5276 0.1965 0.1985 1.4604 1.4680 1.9509 1.9512 2.3684 2.3716 2.5352 2.5394 2.5796 2.5889 2.8404 2.8789 3.0817 3.1083 3.1769 3.2222 3.3687 3.3942 3.5739 3.6457 3.6806 3.7105 3.9086 3.9224 3.9877 4.0051 4.2437 4.2663 4.3798 4.4016 5.3062 5.3275 5.5386 5.5401 5.8152 5.8176 5.8380 5.8426 6.4460 6.4510 6.7759 6.7776 6.7980 6.8027 6.9219 6.9262 7.3679 7.3827 7.5293 7.5374 7.6062 7.6112 10.9492 10.9590 11.4608 11.4692 13.8794 13.8843 14.5880 14.5970 15.5642 15.5868 17.0083 17.0103 17.5884 17.6095 k = 0.6040 0.3292-0.2958 ( 3665 PWs) bands (ev): -10.8262 -10.8243 -10.4790 -10.4772 -9.7967 -9.7945 -9.5742 -9.5740 -9.1575 -9.1550 -8.9543 -8.9541 -0.5122 -0.5107 0.1610 0.1629 1.4868 1.4956 1.9587 1.9592 2.3587 2.3620 2.5384 2.5407 2.5795 2.5903 2.8172 2.8553 3.0853 3.1096 3.1778 3.2270 3.3677 3.3953 3.5590 3.6351 3.6823 3.7072 3.8956 3.9135 3.9774 3.9954 4.2621 4.2822 4.4118 4.4351 5.3059 5.3261 5.5174 5.5206 5.8202 5.8213 5.8594 5.8645 6.4519 6.4573 6.7483 6.7608 6.8091 6.8217 6.9268 6.9285 7.3441 7.3588 7.5378 7.5462 7.5946 7.5995 10.9686 10.9794 11.4397 11.4487 13.8927 13.8977 14.5651 14.5747 15.5919 15.6162 16.9901 16.9921 17.5902 17.6132 k = 0.6127 0.3339-0.2832 ( 3667 PWs) bands (ev): -10.8135 -10.8114 -10.5087 -10.5068 -9.7886 -9.7861 -9.5661 -9.5660 -9.1492 -9.1466 -8.9596 -8.9594 -0.4941 -0.4925 0.1233 0.1252 1.5151 1.5253 1.9664 1.9674 2.3484 2.3520 2.5417 2.5419 2.5790 2.5910 2.7945 2.8313 3.0895 3.1107 3.1788 3.2317 3.3658 3.3952 3.5424 3.6198 3.6864 3.7083 3.8824 3.9037 3.9676 3.9861 4.2806 4.2980 4.4461 4.4704 5.3049 5.3237 5.4938 5.4987 5.8234 5.8255 5.8846 5.8878 6.4579 6.4638 6.7123 6.7277 6.8299 6.8434 6.9366 6.9369 7.3208 7.3349 7.5469 7.5552 7.5818 7.5870 10.9888 11.0006 11.4164 11.4261 13.9073 13.9122 14.5409 14.5512 15.6223 15.6484 16.9724 16.9744 17.5917 17.6165 k = 0.6214 0.3386-0.2706 ( 3670 PWs) bands (ev): -10.7998 -10.7975 -10.5397 -10.5377 -9.7799 -9.7773 -9.5574 -9.5573 -9.1412 -9.1385 -8.9651 -8.9650 -0.4747 -0.4731 0.0836 0.0855 1.5453 1.5570 1.9742 1.9756 2.3378 2.3415 2.5428 2.5451 2.5779 2.5906 2.7730 2.8076 3.0940 3.1113 3.1799 3.2362 3.3627 3.3935 3.5255 3.6027 3.6919 3.7112 3.8692 3.8932 3.9584 3.9776 4.2988 4.3136 4.4825 4.5074 5.3029 5.3200 5.4681 5.4748 5.8284 5.8316 5.9097 5.9104 6.4640 6.4703 6.6731 6.6905 6.8519 6.8656 6.9470 6.9491 7.2984 7.3116 7.5563 7.5615 7.5687 7.5769 11.0097 11.0225 11.3910 11.4014 13.9234 13.9281 14.5156 14.5266 15.6555 15.6833 16.9555 16.9576 17.5927 17.6192 k = 0.6300 0.3434-0.2580 ( 3679 PWs) bands (ev): -10.7852 -10.7827 -10.5717 -10.5697 -9.7707 -9.7679 -9.5482 -9.5480 -9.1335 -9.1308 -8.9707 -8.9707 -0.4542 -0.4524 0.0421 0.0440 1.5771 1.5905 1.9818 1.9837 2.3269 2.3309 2.5431 2.5484 2.5761 2.5887 2.7535 2.7848 3.0985 3.1114 3.1811 3.2407 3.3584 3.3898 3.5095 3.5852 3.6982 3.7145 3.8562 3.8822 3.9500 3.9701 4.3165 4.3288 4.5211 4.5461 5.2997 5.3149 5.4408 5.4492 5.8353 5.8398 5.9315 5.9335 6.4701 6.4766 6.6328 6.6517 6.8744 6.8880 6.9570 6.9609 7.2782 7.2899 7.5531 7.5541 7.5683 7.5806 11.0312 11.0450 11.3634 11.3743 13.9409 13.9453 14.4894 14.5011 15.6914 15.7209 16.9394 16.9416 17.5930 17.6210 k = 0.6300 0.3434-0.2580 ( 3679 PWs) bands (ev): -10.7852 -10.7827 -10.5717 -10.5697 -9.7707 -9.7679 -9.5482 -9.5480 -9.1335 -9.1308 -8.9707 -8.9707 -0.4542 -0.4524 0.0421 0.0440 1.5771 1.5905 1.9818 1.9837 2.3269 2.3309 2.5431 2.5484 2.5761 2.5887 2.7535 2.7848 3.0985 3.1114 3.1811 3.2407 3.3584 3.3898 3.5095 3.5852 3.6982 3.7145 3.8562 3.8822 3.9500 3.9701 4.3165 4.3288 4.5211 4.5461 5.2997 5.3149 5.4408 5.4492 5.8353 5.8398 5.9315 5.9335 6.4701 6.4766 6.6328 6.6517 6.8744 6.8880 6.9570 6.9609 7.2782 7.2899 7.5531 7.5541 7.5683 7.5806 11.0312 11.0450 11.3634 11.3743 13.9409 13.9453 14.4894 14.5011 15.6914 15.7209 16.9394 16.9416 17.5930 17.6210 k = 0.6254 0.3408-0.2421 ( 3689 PWs) bands (ev): -10.7775 -10.7752 -10.5924 -10.5905 -9.7641 -9.7614 -9.5418 -9.5416 -9.1291 -9.1265 -8.9727 -8.9726 -0.4361 -0.4343 0.0195 0.0213 1.6017 1.6159 1.9880 1.9921 2.3237 2.3244 2.5509 2.5600 2.5793 2.5915 2.7440 2.7674 3.0950 3.1064 3.1797 3.2341 3.3496 3.3845 3.4957 3.5694 3.6910 3.7043 3.8485 3.8796 3.9429 3.9657 4.3491 4.3580 4.5430 4.5696 5.2705 5.2843 5.4174 5.4281 5.8404 5.8446 5.9560 5.9608 6.4505 6.4574 6.6032 6.6232 6.9010 6.9126 6.9621 6.9682 7.2480 7.2590 7.5523 7.5533 7.5783 7.5900 11.0608 11.0738 11.3612 11.3714 13.9482 13.9533 14.4534 14.4652 15.7196 15.7486 16.9197 16.9211 17.5872 17.6167 k = 0.6208 0.3383-0.2261 ( 3695 PWs) bands (ev): -10.7723 -10.7702 -10.6127 -10.6111 -9.7546 -9.7522 -9.5347 -9.5345 -9.1249 -9.1224 -8.9750 -8.9749 -0.4195 -0.4178 -0.0031 -0.0015 1.6270 1.6422 1.9950 2.0013 2.3177 2.3199 2.5536 2.5642 2.5886 2.5971 2.7390 2.7534 3.0915 3.1013 3.1779 3.2269 3.3397 3.3763 3.4843 3.5534 3.6850 3.6954 3.8414 3.8779 3.9358 3.9609 4.3806 4.3862 4.5649 4.5931 5.2414 5.2536 5.3959 5.4087 5.8429 5.8467 5.9745 5.9822 6.4274 6.4350 6.5745 6.5953 6.9328 6.9410 6.9675 6.9773 7.2189 7.2288 7.5522 7.5531 7.5892 7.6004 11.0883 11.1005 11.3583 11.3678 13.9554 13.9609 14.4187 14.4305 15.7527 15.7811 16.9017 16.9023 17.5822 17.6126 k = 0.6161 0.3358-0.2101 ( 3693 PWs) bands (ev): -10.7695 -10.7675 -10.6328 -10.6312 -9.7424 -9.7402 -9.5269 -9.5267 -9.1209 -9.1186 -8.9777 -8.9775 -0.4044 -0.4028 -0.0259 -0.0244 1.6531 1.6693 2.0029 2.0113 2.3111 2.3157 2.5487 2.5604 2.6038 2.6081 2.7385 2.7435 3.0880 3.0960 3.1760 3.2190 3.3290 3.3653 3.4748 3.5371 3.6802 3.6880 3.8353 3.8771 3.9288 3.9556 4.4103 4.4128 4.5868 4.6167 5.2129 5.2235 5.3765 5.3911 5.8433 5.8465 5.9855 5.9960 6.4018 6.4105 6.5481 6.5694 6.9660 6.9668 6.9723 6.9922 7.1935 7.2017 7.5531 7.5537 7.6008 7.6117 11.1134 11.1247 11.3546 11.3634 13.9623 13.9683 14.3853 14.3970 15.7904 15.8182 16.8854 16.8856 17.5780 17.6090 k = 0.6115 0.3332-0.1942 ( 3693 PWs) bands (ev): -10.7688 -10.7670 -10.6524 -10.6510 -9.7277 -9.7257 -9.5185 -9.5183 -9.1172 -9.1151 -8.9807 -8.9805 -0.3910 -0.3893 -0.0487 -0.0473 1.6799 1.6973 2.0116 2.0221 2.3046 2.3113 2.5379 2.5519 2.6210 2.6230 2.7381 2.7418 3.0843 3.0907 3.1739 3.2104 3.3174 3.3519 3.4668 3.5205 3.6768 3.6822 3.8302 3.8769 3.9215 3.9498 4.4373 4.4377 4.6085 4.6401 5.1855 5.1943 5.3592 5.3752 5.8421 5.8445 5.9876 6.0010 6.3745 6.3845 6.5252 6.5465 6.9668 6.9731 7.0085 7.0229 7.1756 7.1814 7.5551 7.5555 7.6129 7.6235 11.1358 11.1463 11.3498 11.3580 13.9689 13.9754 14.3532 14.3649 15.8325 15.8595 16.8707 16.8714 17.5748 17.6060 k = 0.6068 0.3307-0.1782 ( 3689 PWs) bands (ev): -10.7702 -10.7686 -10.6717 -10.6703 -9.7107 -9.7089 -9.5095 -9.5093 -9.1138 -9.1118 -8.9841 -8.9839 -0.3790 -0.3774 -0.0713 -0.0700 1.7074 1.7260 2.0210 2.0337 2.2985 2.3070 2.5239 2.5402 2.6388 2.6399 2.7369 2.7480 3.0803 3.0853 3.1720 3.2014 3.3051 3.3368 3.4594 3.5036 3.6748 3.6781 3.8264 3.8771 3.9141 3.9439 4.4590 4.4620 4.6300 4.6633 5.1598 5.1664 5.3437 5.3608 5.8401 5.8416 5.9802 5.9959 6.3462 6.3577 6.5067 6.5277 6.9545 6.9656 7.0503 7.0618 7.1686 7.1719 7.5583 7.5585 7.6254 7.6358 11.1553 11.1649 11.3439 11.3515 13.9754 13.9821 14.3225 14.3340 15.8785 15.9048 16.8583 16.8595 17.5726 17.6037 k = 0.6022 0.3282-0.1623 ( 3691 PWs) bands (ev): -10.7733 -10.7719 -10.6904 -10.6892 -9.6916 -9.6900 -9.4999 -9.4997 -9.1108 -9.1089 -8.9879 -8.9877 -0.3686 -0.3671 -0.0937 -0.0926 1.7355 1.7555 2.0313 2.0460 2.2928 2.3029 2.5082 2.5260 2.6568 2.6576 2.7394 2.7563 3.0758 3.0797 3.1702 3.1918 3.2922 3.3206 3.4521 3.4862 3.6743 3.6755 3.8239 3.8772 3.9067 3.9383 4.4774 4.4827 4.6510 4.6859 5.1360 5.1402 5.3300 5.3478 5.8378 5.8383 5.9628 5.9806 6.3175 6.3305 6.4931 6.5131 6.9323 6.9467 7.0942 7.1037 7.1734 7.1749 7.5628 7.5629 7.6381 7.6482 11.1718 11.1805 11.3368 11.3438 13.9815 13.9886 14.2932 14.3045 15.9284 15.9538 16.8483 16.8498 17.5715 17.6021 k = 0.5975 0.3256-0.1463 ( 3691 PWs) bands (ev): -10.7780 -10.7767 -10.7086 -10.7075 -9.6708 -9.6694 -9.4897 -9.4896 -9.1081 -9.1063 -8.9923 -8.9920 -0.3597 -0.3582 -0.1158 -0.1149 1.7643 1.7857 2.0422 2.0589 2.2875 2.2990 2.4918 2.5105 2.6746 2.6756 2.7447 2.7660 3.0708 3.0741 3.1687 3.1818 3.2789 3.3036 3.4445 3.4684 3.6743 3.6753 3.8229 3.8769 3.8996 3.9341 4.4920 4.4993 4.6712 4.7077 5.1145 5.1158 5.3178 5.3360 5.8353 5.8360 5.9362 5.9557 6.2887 6.3033 6.4840 6.5025 6.9025 6.9189 7.1394 7.1470 7.1880 7.1888 7.5685 7.5687 7.6509 7.6607 11.1851 11.1929 11.3284 11.3348 13.9874 13.9946 14.2653 14.2764 15.9817 16.0062 16.8410 16.8427 17.5713 17.6013 k = 0.5929 0.3231-0.1304 ( 3682 PWs) bands (ev): -10.7839 -10.7828 -10.7262 -10.7252 -9.6485 -9.6473 -9.4790 -9.4789 -9.1058 -9.1041 -8.9971 -8.9968 -0.3522 -0.3508 -0.1375 -0.1367 1.7936 1.8166 2.0539 2.0725 2.2827 2.2955 2.4753 2.4942 2.6920 2.6934 2.7524 2.7769 3.0651 3.0685 3.1676 3.1716 3.2656 3.2861 3.4363 3.4502 3.6744 3.6777 3.8234 3.8757 3.8932 3.9320 4.5024 4.5112 4.6903 4.7280 5.0934 5.0954 5.3071 5.3253 5.8331 5.8351 5.9017 5.9225 6.2605 6.2764 6.4782 6.4948 6.8680 6.8857 7.1856 7.1901 7.2097 7.2118 7.5755 7.5759 7.6637 7.6731 11.1952 11.2022 11.3186 11.3244 13.9928 14.0002 14.2388 14.2496 16.0382 16.0618 16.8364 16.8382 17.5720 17.6013 k = 0.5882 0.3206-0.1144 ( 3680 PWs) bands (ev): -10.7909 -10.7899 -10.7433 -10.7424 -9.6250 -9.6240 -9.4678 -9.4677 -9.1038 -9.1023 -9.0024 -9.0022 -0.3462 -0.3448 -0.1587 -0.1580 1.8234 1.8480 2.0664 2.0866 2.2784 2.2923 2.4591 2.4777 2.7088 2.7107 2.7619 2.7884 3.0588 3.0627 3.1611 3.1664 3.2524 3.2684 3.4272 3.4318 3.6753 3.6814 3.8255 3.8736 3.8879 3.9327 4.5082 4.5181 4.7076 4.7462 5.0731 5.0788 5.2980 5.3160 5.8305 5.8348 5.8624 5.8835 6.2330 6.2502 6.4747 6.4891 6.8308 6.8494 7.2283 7.2319 7.2369 7.2455 7.5838 7.5842 7.6762 7.6854 11.2021 11.2084 11.3075 11.3128 13.9978 14.0053 14.2138 14.2242 16.0976 16.1202 16.8347 16.8365 17.5736 17.6019 k = 0.5836 0.3181-0.0985 ( 3675 PWs) bands (ev): -10.7987 -10.7978 -10.7596 -10.7588 -9.6006 -9.5997 -9.4561 -9.4560 -9.1024 -9.1010 -9.0083 -9.0080 -0.3414 -0.3401 -0.1792 -0.1787 1.8537 1.8799 2.0794 2.1012 2.2745 2.2896 2.4435 2.4613 2.7249 2.7271 2.7728 2.8005 3.0519 3.0569 3.1505 3.1649 3.2397 3.2507 3.4132 3.4170 3.6771 3.6866 3.8292 3.8713 3.8844 3.9361 4.5093 4.5200 4.7222 4.7614 5.0544 5.0642 5.2909 5.3084 5.8071 5.8256 5.8410 5.8506 6.2066 6.2250 6.4720 6.4843 6.7922 6.8116 7.2615 7.2664 7.2796 7.2883 7.5933 7.5938 7.6885 7.6974 11.2060 11.2116 11.2951 11.2999 14.0023 14.0097 14.1901 14.2002 16.1596 16.1813 16.8360 16.8378 17.5760 17.6032 k = 0.5790 0.3155-0.0825 ( 3673 PWs) bands (ev): -10.8071 -10.8063 -10.7753 -10.7746 -9.5754 -9.5748 -9.4440 -9.4439 -9.1014 -9.1002 -9.0147 -9.0144 -0.3380 -0.3367 -0.1990 -0.1986 1.8842 1.9120 2.0931 2.1161 2.2712 2.2871 2.4287 2.4453 2.7402 2.7425 2.7847 2.8128 3.0444 3.0512 3.1399 3.1622 3.2281 3.2330 3.3944 3.4057 3.6795 3.6931 3.8343 3.8699 3.8830 3.9420 4.5058 4.5169 4.7334 4.7727 5.0369 5.0509 5.2861 5.3032 5.7597 5.7841 5.8428 5.8492 6.1817 6.2010 6.4693 6.4793 6.7533 6.7733 7.2953 7.2996 7.3262 7.3332 7.6038 7.6043 7.7004 7.7090 11.2070 11.2118 11.2815 11.2859 14.0061 14.0135 14.1678 14.1774 16.2239 16.2447 16.8405 16.8421 17.5791 17.6050 k = 0.5743 0.3130-0.0665 ( 3679 PWs) bands (ev): -10.8158 -10.8152 -10.7903 -10.7896 -9.5499 -9.5493 -9.4315 -9.4313 -9.1010 -9.0998 -9.0217 -9.0214 -0.3357 -0.3345 -0.2179 -0.2176 1.9150 1.9443 2.1073 2.1314 2.2682 2.2850 2.4146 2.4299 2.7547 2.7567 2.7973 2.8251 3.0366 3.0454 3.1293 3.1576 3.2156 3.2180 3.3758 3.3932 3.6825 3.7010 3.8408 3.8702 3.8844 3.9499 4.4979 4.5092 4.7401 4.7788 5.0196 5.0379 5.2844 5.3009 5.7090 5.7354 5.8490 5.8561 6.1585 6.1784 6.4657 6.4735 6.7143 6.7349 7.3306 7.3346 7.3722 7.3780 7.6152 7.6157 7.7119 7.7201 11.2052 11.2093 11.2669 11.2708 14.0093 14.0165 14.1469 14.1561 16.2904 16.3102 16.8481 16.8495 17.5829 17.6074 k = 0.5697 0.3105-0.0506 ( 3679 PWs) bands (ev): -10.8249 -10.8243 -10.8044 -10.8039 -9.5241 -9.5236 -9.4185 -9.4184 -9.1012 -9.1001 -9.0292 -9.0289 -0.3345 -0.3334 -0.2360 -0.2357 1.9458 1.9765 2.1220 2.1467 2.2656 2.2833 2.4015 2.4152 2.7685 2.7699 2.8104 2.8372 3.0287 3.0397 3.1188 3.1506 3.1985 3.2096 3.3573 3.3795 3.6866 3.7105 3.8486 3.8729 3.8889 3.9595 4.4860 4.4974 4.7416 4.7792 5.0014 5.0237 5.2862 5.3023 5.6586 5.6864 5.8579 5.8661 6.1372 6.1575 6.4608 6.4666 6.6756 6.6968 7.3672 7.3712 7.4173 7.4221 7.6273 7.6277 7.7228 7.7307 11.2009 11.2044 11.2514 11.2548 14.0117 14.0187 14.1274 14.1360 16.3586 16.3774 16.8591 16.8601 17.5871 17.6101 k = 0.5650 0.3079-0.0346 ( 3681 PWs) bands (ev): -10.8339 -10.8335 -10.8178 -10.8173 -9.4982 -9.4979 -9.4052 -9.4051 -9.1019 -9.1010 -9.0373 -9.0370 -0.3343 -0.3332 -0.2530 -0.2528 1.9765 2.0083 2.1371 2.1621 2.2635 2.2818 2.3892 2.4012 2.7818 2.7821 2.8237 2.8490 3.0208 3.0343 3.1086 3.1413 3.1819 3.2022 3.3393 3.3647 3.6923 3.7219 3.8578 3.8784 3.8965 3.9708 4.4706 4.4821 4.7374 4.7731 4.9808 5.0065 5.2919 5.3077 5.6105 5.6394 5.8694 5.8785 6.1181 6.1384 6.4542 6.4580 6.6375 6.6591 7.4046 7.4086 7.4611 7.4650 7.6400 7.6403 7.7331 7.7406 11.1944 11.1974 11.2351 11.2381 14.0133 14.0201 14.1092 14.1173 16.4284 16.4462 16.8735 16.8741 17.5917 17.6131 k = 0.5604 0.3054-0.0187 ( 3681 PWs) bands (ev): -10.8429 -10.8426 -10.8304 -10.8300 -9.4725 -9.4723 -9.3916 -9.3915 -9.1034 -9.1025 -9.0459 -9.0457 -0.3349 -0.3339 -0.2689 -0.2688 2.0069 2.0394 2.1526 2.1774 2.2617 2.2806 2.3778 2.3879 2.7933 2.7945 2.8369 2.8601 3.0131 3.0290 3.0987 3.1303 3.1659 3.1949 3.3218 3.3486 3.7003 3.7354 3.8684 3.8866 3.9072 3.9835 4.4524 4.4639 4.7275 4.7607 4.9566 4.9846 5.3013 5.3170 5.5669 5.5962 5.8832 5.8933 6.1015 6.1215 6.4458 6.4478 6.5999 6.6219 7.4425 7.4465 7.5034 7.5065 7.6529 7.6532 7.7426 7.7498 11.1860 11.1884 11.2184 11.2210 14.0141 14.0206 14.0923 14.0998 16.4994 16.5162 16.8912 16.8914 17.5965 17.6163 k = 0.5557 0.3029-0.0027 ( 3685 PWs) bands (ev): -10.8517 -10.8514 -10.8422 -10.8418 -9.4471 -9.4469 -9.3777 -9.3776 -9.1055 -9.1047 -9.0551 -9.0549 -0.3363 -0.3354 -0.2837 -0.2837 2.0369 2.0696 2.1683 2.1924 2.2603 2.2798 2.3672 2.3754 2.8038 2.8069 2.8500 2.8704 3.0059 3.0241 3.0892 3.1182 3.1505 3.1866 3.3049 3.3316 3.7115 3.7513 3.8806 3.8973 3.9207 3.9976 4.4318 4.4435 4.7120 4.7422 4.9275 4.9564 5.3141 5.3296 5.5294 5.5580 5.8991 5.9100 6.0876 6.1069 6.4355 6.4357 6.5630 6.5853 7.4803 7.4843 7.5438 7.5462 7.6661 7.6663 7.7514 7.7583 11.1760 11.1780 11.2014 11.2037 14.0141 14.0202 14.0768 14.0837 16.5713 16.5871 16.9121 16.9124 17.6013 17.6195 k = 0.5511 0.3003 0.0132 ( 3689 PWs) bands (ev): -10.8602 -10.8600 -10.8530 -10.8527 -9.4221 -9.4220 -9.3636 -9.3634 -9.1084 -9.1077 -9.0648 -9.0646 -0.3383 -0.3375 -0.2973 -0.2972 2.0660 2.0984 2.1841 2.2068 2.2594 2.2792 2.3574 2.3636 2.8138 2.8189 2.8628 2.8797 2.9994 3.0195 3.0801 3.1055 3.1358 3.1767 3.2887 3.3136 3.7266 3.7700 3.8945 3.9104 3.9368 4.0131 4.4093 4.4213 4.6916 4.7185 4.8925 4.9208 5.3295 5.3446 5.4992 5.5259 5.9168 5.9284 6.0767 6.0949 6.4219 6.4233 6.5267 6.5492 7.5177 7.5217 7.5821 7.5837 7.6792 7.6793 7.7594 7.7659 11.1648 11.1664 11.1844 11.1863 14.0134 14.0191 14.0626 14.0690 16.6440 16.6587 16.9361 16.9369 17.6058 17.6224 k = 0.5464 0.2978 0.0292 ( 3697 PWs) bands (ev): -10.8683 -10.8681 -10.8630 -10.8627 -9.3977 -9.3977 -9.3492 -9.3491 -9.1121 -9.1115 -9.0751 -9.0749 -0.3408 -0.3401 -0.3097 -0.3096 2.0943 2.1256 2.1998 2.2206 2.2589 2.2789 2.3484 2.3525 2.8236 2.8306 2.8750 2.8881 2.9937 3.0150 3.0716 3.0928 3.1222 3.1650 3.2728 3.2949 3.7461 3.7918 3.9099 3.9255 3.9550 4.0299 4.3854 4.3977 4.6672 4.6904 4.8517 4.8778 5.3465 5.3610 5.4765 5.5003 5.9361 5.9484 6.0692 6.0857 6.4063 6.4092 6.4911 6.5137 7.5542 7.5582 7.6178 7.6187 7.6921 7.6921 7.7665 7.7726 11.1528 11.1541 11.1676 11.1693 14.0120 14.0173 14.0498 14.0555 16.7170 16.7307 16.9634 16.9647 17.6098 17.6247 k = 0.5418 0.2953 0.0452 ( 3699 PWs) bands (ev): -10.8758 -10.8757 -10.8721 -10.8718 -9.3740 -9.3739 -9.3347 -9.3346 -9.1166 -9.1161 -9.0859 -9.0857 -0.3437 -0.3431 -0.3208 -0.3206 2.1213 2.1509 2.2150 2.2333 2.2589 2.2791 2.3401 2.3421 2.8335 2.8421 2.8867 2.8955 2.9891 3.0104 3.0636 3.0802 3.1098 3.1520 3.2572 3.2757 3.7704 3.8167 3.9269 3.9423 3.9753 4.0479 4.3605 4.3731 4.6395 4.6589 4.8053 4.8280 5.3643 5.3779 5.4608 5.4810 5.9569 5.9697 6.0652 6.0797 6.3891 6.3933 6.4562 6.4787 7.5893 7.5932 7.6508 7.6509 7.7046 7.7047 7.7727 7.7784 11.1404 11.1414 11.1514 11.1528 14.0101 14.0148 14.0383 14.0434 16.7902 16.8027 16.9940 16.9957 17.6127 17.6260 k = 0.5372 0.2927 0.0611 ( 3706 PWs) bands (ev): -10.8828 -10.8827 -10.8802 -10.8800 -9.3510 -9.3509 -9.3200 -9.3199 -9.1220 -9.1216 -9.0971 -9.0970 -0.3469 -0.3463 -0.3306 -0.3304 2.1469 2.1741 2.2295 2.2444 2.2599 2.2797 2.3323 2.3325 2.8436 2.8536 2.8976 2.9021 2.9855 3.0055 3.0558 3.0679 3.0993 3.1383 3.2415 3.2562 3.7995 3.8450 3.9453 3.9605 3.9973 4.0671 4.3348 4.3479 4.6094 4.6250 4.7543 4.7728 5.3818 5.3941 5.4509 5.4674 5.9789 5.9921 6.0650 6.0769 6.3703 6.3758 6.4220 6.4443 7.6226 7.6265 7.6800 7.6807 7.7167 7.7168 7.7779 7.7833 11.1280 11.1287 11.1360 11.1372 14.0077 14.0119 14.0283 14.0327 16.8631 16.8745 17.0277 17.0298 17.6140 17.6256 k = 0.5325 0.2902 0.0771 ( 3703 PWs) bands (ev): -10.8891 -10.8890 -10.8874 -10.8872 -9.3289 -9.3288 -9.3052 -9.3051 -9.1284 -9.1280 -9.1089 -9.1087 -0.3501 -0.3496 -0.3390 -0.3389 2.1709 2.1952 2.2427 2.2526 2.2629 2.2809 2.3234 2.3252 2.8545 2.8652 2.9076 2.9081 2.9829 2.9999 3.0477 3.0557 3.0915 3.1248 3.2258 3.2366 3.8333 3.8765 3.9649 3.9799 4.0208 4.0871 4.3086 4.3222 4.5777 4.5894 4.6999 4.7138 5.3984 5.4090 5.4457 5.4584 6.0020 6.0155 6.0687 6.0776 6.3501 6.3567 6.3885 6.4104 7.6537 7.6576 7.7054 7.7072 7.7283 7.7288 7.7821 7.7871 11.1159 11.1164 11.1217 11.1226 14.0051 14.0086 14.0197 14.0233 16.9354 16.9457 17.0644 17.0668 17.6127 17.6227 k = 0.5279 0.2877 0.0930 ( 3705 PWs) bands (ev): -10.8947 -10.8946 -10.8936 -10.8935 -9.3077 -9.3076 -9.2904 -9.2903 -9.1357 -9.1354 -9.1210 -9.1209 -0.3533 -0.3529 -0.3462 -0.3461 2.1930 2.2140 2.2540 2.2568 2.2688 2.2828 2.3151 2.3186 2.8660 2.8769 2.9135 2.9165 2.9810 2.9936 3.0383 3.0436 3.0871 3.1128 3.2099 3.2172 3.8713 3.9111 3.9855 4.0004 4.0453 4.1076 4.2822 4.2963 4.5452 4.5529 4.6438 4.6527 5.4132 5.4220 5.4439 5.4530 6.0260 6.0396 6.0763 6.0820 6.3286 6.3363 6.3558 6.3771 7.6821 7.6860 7.7264 7.7298 7.7394 7.7409 7.7853 7.7899 11.1045 11.1049 11.1088 11.1094 14.0023 14.0050 14.0124 14.0153 17.0068 17.0158 17.1038 17.1065 17.6076 17.6160 k = 0.5232 0.2851 0.1090 ( 3691 PWs) bands (ev): -10.8995 -10.8995 -10.8989 -10.8988 -9.2875 -9.2874 -9.2755 -9.2754 -9.1440 -9.1437 -9.1336 -9.1334 -0.3563 -0.3560 -0.3522 -0.3520 2.2130 2.2307 2.2593 2.2629 2.2751 2.2855 2.3074 2.3124 2.8787 2.8891 2.9188 2.9245 2.9791 2.9867 3.0274 3.0312 3.0866 3.1037 3.1941 3.1985 3.9131 3.9483 4.0071 4.0218 4.0702 4.1281 4.2557 4.2704 4.5125 4.5166 4.5874 4.5915 5.4259 5.4326 5.4443 5.4505 6.0507 6.0644 6.0879 6.0901 6.3060 6.3146 6.3239 6.3443 7.7076 7.7114 7.7417 7.7466 7.7518 7.7541 7.7874 7.7917 11.0943 11.0945 11.0974 11.0978 13.9995 14.0015 14.0066 14.0086 17.0767 17.0845 17.1457 17.1486 17.5972 17.6041 k = 0.5186 0.2826 0.1249 ( 3689 PWs) bands (ev): -10.9035 -10.9035 -10.9032 -10.9032 -9.2683 -9.2682 -9.2607 -9.2606 -9.1533 -9.1531 -9.1465 -9.1464 -0.3591 -0.3588 -0.3569 -0.3567 2.2307 2.2453 2.2617 2.2696 2.2798 2.2885 2.3004 2.3067 2.8922 2.9016 2.9241 2.9316 2.9766 2.9793 3.0149 3.0179 3.0891 3.0988 3.1783 3.1805 3.9578 3.9875 4.0296 4.0439 4.0944 4.1473 4.2293 4.2446 4.4804 4.4812 4.5325 4.5328 5.4361 5.4409 5.4461 5.4499 6.0759 6.0896 6.1017 6.1032 6.2824 6.2918 6.2930 6.3122 7.7297 7.7335 7.7525 7.7568 7.7659 7.7668 7.7885 7.7923 11.0854 11.0856 11.0877 11.0880 13.9970 13.9981 14.0020 14.0032 17.1445 17.1510 17.1897 17.1927 17.5801 17.5856 k = 0.5139 0.2801 0.1409 ( 3691 PWs) bands (ev): -10.9067 -10.9067 -10.9066 -10.9065 -9.2502 -9.2501 -9.2460 -9.2459 -9.1636 -9.1635 -9.1597 -9.1597 -0.3614 -0.3613 -0.3604 -0.3603 2.2460 2.2577 2.2643 2.2744 2.2824 2.2910 2.2942 2.3014 2.9066 2.9148 2.9295 2.9382 2.9718 2.9731 3.0012 3.0037 3.0942 3.0986 3.1628 3.1636 4.0044 4.0275 4.0528 4.0664 4.1161 4.1630 4.2029 4.2191 4.4483 4.4498 4.4789 4.4824 5.4438 5.4467 5.4485 5.4505 6.1015 6.1152 6.1166 6.1218 6.2579 6.2632 6.2681 6.2809 7.7481 7.7519 7.7610 7.7650 7.7768 7.7769 7.7886 7.7919 11.0783 11.0784 11.0799 11.0801 13.9949 13.9954 13.9984 13.9989 17.2092 17.2142 17.2351 17.2379 17.5556 17.5597 k = 0.5093 0.2776 0.1568 ( 3691 PWs) bands (ev): -10.9090 -10.9090 -10.9089 -10.9089 -9.2333 -9.2332 -9.2314 -9.2314 -9.1749 -9.1749 -9.1732 -9.1732 -0.3632 -0.3632 -0.3628 -0.3628 2.2586 2.2672 2.2680 2.2783 2.2825 2.2889 2.2922 2.2967 2.9216 2.9286 2.9352 2.9446 2.9645 2.9685 2.9867 2.9887 3.1014 3.1029 3.1479 3.1480 4.0511 4.0660 4.0768 4.0891 4.1321 4.1713 4.1769 4.1942 4.4200 4.4217 4.4360 4.4398 5.4489 5.4503 5.4509 5.4517 6.1273 6.1345 6.1408 6.1435 6.2327 6.2351 6.2436 6.2504 7.7624 7.7664 7.7678 7.7720 7.7833 7.7836 7.7878 7.7905 11.0731 11.0731 11.0742 11.0742 13.9934 13.9935 13.9957 13.9958 17.2686 17.2720 17.2803 17.2825 17.5249 17.5276 k = 0.5046 0.2750 0.1728 ( 3686 PWs) bands (ev): -10.9104 -10.9104 -10.9104 -10.9104 -9.2178 -9.2177 -9.2173 -9.2173 -9.1871 -9.1870 -9.1867 -9.1866 -0.3644 -0.3644 -0.3642 -0.3642 2.2682 2.2703 2.2757 2.2806 2.2809 2.2844 2.2920 2.2929 2.9364 2.9409 2.9430 2.9508 2.9582 2.9630 2.9718 2.9734 3.1105 3.1108 3.1339 3.1340 4.0941 4.0984 4.1029 4.1108 4.1376 4.1514 4.1671 4.1710 4.4007 4.4009 4.4086 4.4098 5.4519 5.4522 5.4526 5.4528 6.1525 6.1546 6.1664 6.1677 6.2076 6.2093 6.2187 6.2211 7.7719 7.7729 7.7765 7.7777 7.7861 7.7863 7.7867 7.7882 11.0700 11.0700 11.0706 11.0706 13.9926 13.9927 13.9938 13.9938 17.3173 17.3185 17.3210 17.3219 17.4930 17.4946 k = 0.5000 0.2725 0.1888 ( 3684 PWs) bands (ev): -10.9108 -10.9108 -10.9108 -10.9108 -9.2074 -9.2074 -9.2074 -9.2074 -9.1963 -9.1963 -9.1963 -9.1963 -0.3647 -0.3647 -0.3647 -0.3647 2.2724 2.2724 2.2805 2.2805 2.2805 2.2805 2.2914 2.2914 2.9448 2.9448 2.9564 2.9564 2.9587 2.9587 2.9587 2.9587 3.1214 3.1214 3.1214 3.1214 4.1210 4.1210 4.1210 4.1210 4.1314 4.1314 4.1572 4.1572 4.3962 4.3962 4.3962 4.3962 5.4530 5.4530 5.4530 5.4530 6.1700 6.1700 6.1910 6.1910 6.1910 6.1910 6.1952 6.1952 7.7751 7.7751 7.7807 7.7807 7.7863 7.7863 7.7863 7.7863 11.0692 11.0692 11.0692 11.0692 13.9928 13.9928 13.9928 13.9928 17.3398 17.3398 17.3398 17.3398 17.4761 17.4762 k = 0.5000-0.3225-0.2234 ( 3654 PWs) bands (ev): -10.8396 -10.8396 -10.8350 -10.8350 -9.3068 -9.3068 -9.3051 -9.3051 -9.1861 -9.1861 -9.1813 -9.1813 -0.5087 -0.5087 -0.5058 -0.5058 1.8795 1.8795 1.9147 1.9147 2.3128 2.3128 2.3720 2.3720 2.5337 2.5337 2.5442 2.5442 3.2325 3.2325 3.2588 3.2588 3.4292 3.4292 3.4353 3.4353 3.9138 3.9138 3.9166 3.9166 4.2272 4.2272 4.2636 4.2636 4.8771 4.8771 4.9119 4.9119 5.6879 5.6879 5.6881 5.6881 6.1378 6.1378 6.1436 6.1436 6.8786 6.8786 6.8803 6.8803 7.2856 7.2856 7.2858 7.2858 7.6647 7.6647 7.6673 7.6673 10.6941 10.6941 10.7271 10.7271 14.4681 14.4681 14.4747 14.4747 16.6909 16.6909 16.7543 16.7543 17.8518 17.8521 k = 0.5104-0.3116-0.2158 ( 3650 PWs) bands (ev): -10.8394 -10.8390 -10.8348 -10.8345 -9.3206 -9.3189 -9.2933 -9.2916 -9.2053 -9.2007 -9.1677 -9.1629 -0.5138 -0.5109 -0.5019 -0.4991 1.8731 1.8860 1.9094 1.9201 2.2970 2.3293 2.3576 2.3870 2.5332 2.5340 2.5421 2.5463 3.2280 3.2369 3.2536 3.2638 3.4240 3.4323 3.4341 3.4381 3.9101 3.9115 3.9174 3.9214 4.2187 4.2333 4.2565 4.2677 4.8513 4.8870 4.9067 4.9400 5.6687 5.6691 5.7063 5.7069 6.1100 6.1160 6.1653 6.1709 6.8655 6.8674 6.8916 6.8931 7.2813 7.2824 7.2881 7.2885 7.6586 7.6618 7.6695 7.6715 10.6902 10.7005 10.7235 10.7332 14.4519 14.4578 14.4833 14.4905 16.6286 16.6917 16.7552 16.8188 17.8227 17.8283 k = 0.5208-0.3007-0.2083 ( 3651 PWs) bands (ev): -10.8384 -10.8376 -10.8337 -10.8331 -9.3347 -9.3329 -9.2801 -9.2782 -9.2254 -9.2210 -9.1504 -9.1456 -0.5173 -0.5145 -0.4936 -0.4908 1.8667 1.8927 1.9041 1.9256 2.2822 2.3437 2.3464 2.4022 2.5327 2.5342 2.5401 2.5485 3.2234 3.2412 3.2482 3.2686 3.4186 3.4291 3.4388 3.4406 3.9061 3.9063 3.9206 3.9259 4.2074 4.2372 4.2461 4.2693 4.8295 4.8656 4.9396 4.9710 5.6487 5.6497 5.7240 5.7250 6.0823 6.0885 6.1922 6.1977 6.8524 6.8546 6.9045 6.9058 7.2756 7.2775 7.2892 7.2903 7.6514 7.6550 7.6731 7.6743 10.6888 10.7094 10.7223 10.7417 14.4347 14.4400 14.4975 14.5053 16.5683 16.6312 16.8211 16.8850 17.7881 17.7935 k = 0.5312-0.2898-0.2007 ( 3658 PWs) bands (ev): -10.8366 -10.8352 -10.8319 -10.8308 -9.3491 -9.3472 -9.2677 -9.2652 -9.2455 -9.2419 -9.1341 -9.1294 -0.5194 -0.5166 -0.4837 -0.4809 1.8603 1.8987 1.8995 1.9312 2.2683 2.3307 2.3640 2.4173 2.5320 2.5341 2.5382 2.5506 3.2187 3.2426 3.2452 3.2732 3.4129 3.4257 3.4429 3.4432 3.9008 3.9018 3.9235 3.9301 4.1933 4.2321 4.2393 4.2690 4.8119 4.8476 4.9749 5.0043 5.6284 5.6301 5.7410 5.7423 6.0551 6.0614 6.2183 6.2236 6.8393 6.8417 6.9173 6.9184 7.2682 7.2711 7.2896 7.2911 7.6430 7.6469 7.6755 7.6759 10.6899 10.7207 10.7236 10.7526 14.4166 14.4214 14.5105 14.5190 16.5103 16.5730 16.8885 16.9526 17.7485 17.7541 k = 0.5416-0.2789-0.1932 ( 3660 PWs) bands (ev): -10.8341 -10.8320 -10.8293 -10.8277 -9.3639 -9.3618 -9.2700 -9.2641 -9.2518 -9.2518 -9.1190 -9.1143 -0.5201 -0.5172 -0.4721 -0.4694 1.8537 1.8929 1.9065 1.9369 2.2556 2.3186 2.3820 2.4322 2.5313 2.5341 2.5366 2.5529 3.2140 3.2367 3.2490 3.2775 3.4070 3.4221 3.4450 3.4475 3.8953 3.8973 3.9261 3.9341 4.1764 4.2147 4.2401 4.2672 4.7984 4.8330 5.0122 5.0395 5.6079 5.6101 5.7571 5.7587 6.0286 6.0351 6.2432 6.2485 6.8261 6.8288 6.9298 6.9307 7.2591 7.2631 7.2894 7.2914 7.6335 7.6376 7.6763 7.6768 10.6936 10.7272 10.7344 10.7658 14.3976 14.4019 14.5222 14.5314 16.4547 16.5170 16.9571 17.0215 17.7048 17.7109 k = 0.5520-0.2680-0.1856 ( 3659 PWs) bands (ev): -10.8309 -10.8279 -10.8261 -10.8236 -9.3792 -9.3769 -9.2907 -9.2860 -9.2403 -9.2394 -9.1050 -9.1004 -0.5194 -0.5165 -0.4590 -0.4562 1.8469 1.8868 1.9136 1.9428 2.2444 2.3077 2.4002 2.4462 2.5304 2.5340 2.5356 2.5556 3.2093 3.2306 3.2525 3.2818 3.4010 3.4182 3.4470 3.4517 3.8896 3.8926 3.9284 3.9377 4.1571 4.1941 4.2400 4.2646 4.7886 4.8214 5.0509 5.0760 5.5872 5.5901 5.7724 5.7741 6.0033 6.0098 6.2669 6.2722 6.8128 6.8159 6.9420 6.9425 7.2482 7.2534 7.2889 7.2913 7.6229 7.6271 7.6754 7.6769 10.6996 10.7332 10.7504 10.7813 14.3778 14.3816 14.5327 14.5426 16.4015 16.4635 17.0264 17.0912 17.6576 17.6644 k = 0.5624-0.2571-0.1781 ( 3669 PWs) bands (ev): -10.8271 -10.8229 -10.8223 -10.8187 -9.3953 -9.3926 -9.3122 -9.3081 -9.2282 -9.2270 -9.0922 -9.0877 -0.5174 -0.5146 -0.4442 -0.4415 1.8396 1.8800 1.9208 1.9487 2.2347 2.2981 2.4185 2.4587 2.5293 2.5341 2.5352 2.5589 3.2047 3.2244 3.2555 3.2857 3.3947 3.4142 3.4487 3.4557 3.8839 3.8876 3.9304 3.9410 4.1356 4.1706 4.2393 4.2616 4.7819 4.8123 5.0901 5.1132 5.5664 5.5701 5.7867 5.7885 5.9796 5.9861 6.2892 6.2946 6.7994 6.8028 6.9535 6.9536 7.2356 7.2418 7.2886 7.2913 7.6113 7.6156 7.6735 7.6761 10.7080 10.7416 10.7687 10.7990 14.3572 14.3606 14.5418 14.5523 16.3507 16.4124 17.0963 17.1614 17.6075 17.6154 k = 0.5728-0.2462-0.1705 ( 3667 PWs) bands (ev): -10.8227 -10.8179 -10.8170 -10.8129 -9.4124 -9.4093 -9.3335 -9.3299 -9.2163 -9.2150 -9.0804 -9.0761 -0.5143 -0.5115 -0.4279 -0.4253 1.8319 1.8724 1.9281 1.9547 2.2268 2.2899 2.4367 2.4693 2.5281 2.5347 2.5357 2.5635 3.2002 3.2180 3.2581 3.2895 3.3885 3.4101 3.4504 3.4598 3.8781 3.8826 3.9321 3.9439 4.1124 4.1449 4.2385 4.2587 4.7775 4.8051 5.1295 5.1505 5.5459 5.5503 5.8000 5.8017 5.9577 5.9642 6.3100 6.3156 6.7858 6.7897 6.9639 6.9643 7.2211 7.2286 7.2888 7.2918 7.5988 7.6030 7.6706 7.6742 10.7188 10.7521 10.7891 10.8188 14.3358 14.3388 14.5495 14.5606 16.3025 16.3637 17.1662 17.2319 17.5554 17.5647 k = 0.5832-0.2353-0.1630 ( 3671 PWs) bands (ev): -10.8179 -10.8130 -10.8102 -10.8062 -9.4307 -9.4271 -9.3540 -9.3510 -9.2047 -9.2033 -9.0698 -9.0656 -0.5102 -0.5074 -0.4101 -0.4075 1.8234 1.8638 1.9353 1.9605 2.2207 2.2831 2.4546 2.4772 2.5265 2.5361 2.5368 2.5700 3.1957 3.2115 3.2600 3.2931 3.3823 3.4057 3.4521 3.4639 3.8724 3.8774 3.9335 3.9464 4.0880 4.1176 4.2377 4.2560 4.7746 4.7990 5.1683 5.1873 5.5257 5.5309 5.8120 5.8137 5.9380 5.9445 6.3293 6.3354 6.7721 6.7763 6.9730 6.9742 7.2049 7.2135 7.2897 7.2932 7.5853 7.5895 7.6669 7.6715 10.7317 10.7647 10.8116 10.8406 14.3137 14.3164 14.5556 14.5673 16.2566 16.3173 17.2354 17.3020 17.5020 17.5132 k = 0.5936-0.2244-0.1554 ( 3676 PWs) bands (ev): -10.8126 -10.8078 -10.8025 -10.7985 -9.4506 -9.4464 -9.3734 -9.3709 -9.1935 -9.1921 -9.0602 -9.0562 -0.5052 -0.5024 -0.3909 -0.3883 1.8143 1.8541 1.9423 1.9662 2.2166 2.2780 2.4717 2.4825 2.5248 2.5381 2.5387 2.5790 3.1914 3.2049 3.2611 3.2965 3.3763 3.4011 3.4537 3.4681 3.8667 3.8720 3.9346 3.9486 4.0630 4.0893 4.2371 4.2539 4.7724 4.7935 5.2059 5.2231 5.5061 5.5121 5.8227 5.8244 5.9209 5.9272 6.3473 6.3540 6.7581 6.7627 6.9808 6.9829 7.1869 7.1968 7.2918 7.2957 7.5711 7.5752 7.6624 7.6681 10.7466 10.7794 10.8361 10.8642 14.2910 14.2934 14.5602 14.5725 16.2130 16.2730 17.3018 17.3704 17.4491 17.4634 k = 0.6040-0.2135-0.1479 ( 3676 PWs) bands (ev): -10.8070 -10.8022 -10.7939 -10.7900 -9.4720 -9.4674 -9.3913 -9.3894 -9.1829 -9.1813 -9.0516 -9.0478 -0.4994 -0.4967 -0.3702 -0.3677 1.8043 1.8433 1.9491 1.9716 2.2145 2.2744 2.4856 2.4872 2.5230 2.5394 2.5431 2.5903 3.1871 3.1982 3.2613 3.2997 3.3706 3.3963 3.4553 3.4725 3.8610 3.8667 3.9354 3.9505 4.0377 4.0605 4.2370 4.2525 4.7702 4.7880 5.2419 5.2573 5.4873 5.4941 5.8319 5.8337 5.9068 5.9125 6.3640 6.3716 6.7438 6.7488 6.9872 6.9903 7.1674 7.1784 7.2951 7.2996 7.5561 7.5603 7.6573 7.6640 10.7635 10.7958 10.8623 10.8897 14.2677 14.2699 14.5632 14.5760 16.1714 16.2307 17.3522 17.3879 17.4291 17.4463 k = 0.6144-0.2026-0.1403 ( 3674 PWs) bands (ev): -10.8012 -10.7964 -10.7844 -10.7806 -9.4948 -9.4898 -9.4077 -9.4063 -9.1727 -9.1711 -9.0439 -9.0403 -0.4931 -0.4904 -0.3483 -0.3458 1.7934 1.8313 1.9557 1.9766 2.2145 2.2725 2.4872 2.4999 2.5216 2.5405 2.5503 2.6034 3.1830 3.1914 3.2603 3.3028 3.3657 3.3914 3.4572 3.4773 3.8555 3.8613 3.9358 3.9520 4.0125 4.0317 4.2374 4.2519 4.7675 4.7818 5.2755 5.2892 5.4696 5.4772 5.8391 5.8416 5.8962 5.9008 6.3797 6.3883 6.7292 6.7346 6.9921 6.9963 7.1464 7.1585 7.2998 7.3050 7.5407 7.5449 7.6517 7.6593 10.7820 10.8138 10.8903 10.9168 14.2440 14.2460 14.5646 14.5778 16.1318 16.1902 17.3353 17.3366 17.4617 17.5116 k = 0.6248-0.1917-0.1328 ( 3684 PWs) bands (ev): -10.7953 -10.7905 -10.7741 -10.7704 -9.5188 -9.5135 -9.4228 -9.4218 -9.1633 -9.1615 -9.0370 -9.0337 -0.4864 -0.4837 -0.3251 -0.3226 1.7816 1.8181 1.9618 1.9812 2.2162 2.2720 2.4881 2.5078 2.5218 2.5414 2.5610 2.6176 3.1789 3.1846 3.2580 3.3057 3.3615 3.3864 3.4591 3.4823 3.8500 3.8559 3.9357 3.9532 3.9879 4.0034 4.2385 4.2522 4.7636 4.7745 5.3062 5.3181 5.4534 5.4617 5.8438 5.8478 5.8895 5.8922 6.3948 6.4045 6.7142 6.7201 6.9956 7.0010 7.1242 7.1374 7.3058 7.3116 7.5251 7.5294 7.6457 7.6542 10.8020 10.8331 10.9197 10.9454 14.2198 14.2217 14.5643 14.5780 16.0937 16.1511 17.2846 17.2894 17.5232 17.5765 k = 0.6352-0.1808-0.1252 ( 3684 PWs) bands (ev): -10.7894 -10.7846 -10.7629 -10.7593 -9.5435 -9.5381 -9.4367 -9.4359 -9.1545 -9.1526 -9.0309 -9.0278 -0.4794 -0.4768 -0.3008 -0.2984 1.7689 1.8037 1.9674 1.9852 2.2198 2.2728 2.4887 2.5101 2.5247 2.5422 2.5750 2.6325 3.1749 3.1779 3.2542 3.3082 3.3584 3.3814 3.4612 3.4879 3.8447 3.8507 3.9347 3.9541 3.9641 3.9765 4.2402 4.2534 4.7583 4.7657 5.3331 5.3432 5.4391 5.4480 5.8459 5.8521 5.8870 5.8871 6.4094 6.4204 6.6989 6.7051 6.9977 7.0043 7.1010 7.1151 7.3127 7.3192 7.5097 7.5142 7.6394 7.6488 10.8231 10.8536 10.9506 10.9754 14.1955 14.1972 14.5626 14.5765 16.0571 16.1132 17.2345 17.2416 17.5865 17.6365 k = 0.6456-0.1699-0.1177 ( 3686 PWs) bands (ev): -10.7837 -10.7790 -10.7509 -10.7474 -9.5685 -9.5630 -9.4497 -9.4491 -9.1466 -9.1445 -9.0253 -9.0225 -0.4724 -0.4699 -0.2755 -0.2730 1.7554 1.7884 1.9724 1.9886 2.2249 2.2749 2.4894 2.5096 2.5291 2.5432 2.5908 2.6477 3.1709 3.1713 3.2490 3.3103 3.3564 3.3766 3.4637 3.4941 3.8395 3.8455 3.9299 3.9413 3.9541 3.9550 4.2427 4.2556 4.7511 4.7552 5.3556 5.3635 5.4275 5.4367 5.8460 5.8546 5.8853 5.8881 6.4241 6.4364 6.6832 6.6897 6.9986 7.0062 7.0772 7.0921 7.3200 7.3271 7.4951 7.4999 7.6329 7.6430 10.8452 10.8748 10.9827 11.0065 14.1711 14.1726 14.5594 14.5736 16.0216 16.0762 17.1871 17.1953 17.6466 17.6780 k = 0.6560-0.1590-0.1101 ( 3688 PWs) bands (ev): -10.7783 -10.7737 -10.7380 -10.7346 -9.5934 -9.5880 -9.4618 -9.4613 -9.1397 -9.1374 -9.0201 -9.0177 -0.4656 -0.4631 -0.2491 -0.2468 1.7410 1.7722 1.9768 1.9913 2.2313 2.2779 2.4906 2.5085 2.5337 2.5443 2.6076 2.6628 3.1648 3.1669 3.2425 3.3115 3.3554 3.3724 3.4664 3.5008 3.8342 3.8404 3.9139 3.9200 3.9440 3.9554 4.2459 4.2586 4.7418 4.7426 5.3726 5.3772 5.4200 5.4283 5.8454 5.8555 5.8865 5.8913 6.4390 6.4527 6.6670 6.6739 6.9984 7.0069 7.0530 7.0686 7.3268 7.3343 7.4823 7.4874 7.6262 7.6370 10.8677 10.8965 11.0158 11.0386 14.1467 14.1480 14.5548 14.5692 15.9870 16.0400 17.1430 17.1519 17.6823 17.6906 k = 0.6665-0.1481-0.1026 ( 3685 PWs) bands (ev): -10.7734 -10.7689 -10.7244 -10.7211 -9.6180 -9.6127 -9.4732 -9.4727 -9.1337 -9.1313 -9.0152 -9.0131 -0.4592 -0.4568 -0.2220 -0.2197 1.7260 1.7552 1.9806 1.9933 2.2389 2.2818 2.4924 2.5077 2.5385 2.5458 2.6246 2.6777 3.1584 3.1627 3.2350 3.3113 3.3554 3.3693 3.4695 3.5082 3.8286 3.8351 3.8919 3.9006 3.9417 3.9559 4.2498 4.2624 4.7280 4.7304 5.3826 5.3830 5.4183 5.4239 5.8450 5.8557 5.8897 5.8956 6.4546 6.4695 6.6504 6.6575 6.9969 7.0064 7.0293 7.0452 7.3321 7.3394 7.4725 7.4777 7.6195 7.6308 10.8905 10.9182 11.0499 11.0716 14.1226 14.1237 14.5491 14.5636 15.9531 16.0043 17.1028 17.1119 17.6719 17.6955 k = 0.6769-0.1372-0.0950 ( 3683 PWs) bands (ev): -10.7692 -10.7648 -10.7100 -10.7068 -9.6418 -9.6366 -9.4839 -9.4835 -9.1289 -9.1263 -9.0105 -9.0088 -0.4534 -0.4510 -0.1941 -0.1918 1.7104 1.7376 1.9836 1.9946 2.2474 2.2862 2.4951 2.5075 2.5434 2.5476 2.6416 2.6921 3.1523 3.1582 3.2268 3.3093 3.3560 3.3677 3.4729 3.5162 3.8221 3.8287 3.8709 3.8838 3.9411 3.9563 4.2545 4.2671 4.7113 4.7168 5.3819 5.3873 5.4201 5.4228 5.8450 5.8558 5.8942 5.9004 6.4710 6.4870 6.6333 6.6407 6.9925 7.0040 7.0078 7.0226 7.3347 7.3411 7.4673 7.4720 7.6129 7.6245 10.9130 10.9396 11.0846 11.1053 14.0989 14.0998 14.5425 14.5570 15.9198 15.9689 17.0669 17.0759 17.6596 17.6859 k = 0.6873-0.1263-0.0875 ( 3681 PWs) bands (ev): -10.7659 -10.7617 -10.6949 -10.6918 -9.6646 -9.6596 -9.4939 -9.4936 -9.1254 -9.1226 -9.0058 -9.0044 -0.4485 -0.4461 -0.1656 -0.1633 1.6942 1.7196 1.9859 1.9951 2.2565 2.2910 2.4987 2.5080 2.5485 2.5499 2.6581 2.7060 3.1464 3.1532 3.2186 3.3052 3.3570 3.3679 3.4767 3.5248 3.8138 3.8192 3.8544 3.8706 3.9410 3.9568 4.2599 4.2726 4.6925 4.7011 5.3792 5.3881 5.4212 5.4227 5.8453 5.8559 5.8994 5.9056 6.4884 6.5053 6.6157 6.6234 6.9777 6.9945 6.9969 7.0067 7.3339 7.3385 7.4677 7.4714 7.6063 7.6182 10.9348 10.9602 11.1198 11.1394 14.0758 14.0764 14.5351 14.5496 15.8870 15.9340 17.0355 17.0441 17.6477 17.6749 k = 0.6977-0.1154-0.0799 ( 3681 PWs) bands (ev): -10.7637 -10.7597 -10.6791 -10.6761 -9.6860 -9.6812 -9.5034 -9.5031 -9.1230 -9.1201 -9.0011 -9.0000 -0.4446 -0.4423 -0.1365 -0.1343 1.6777 1.7012 1.9874 1.9949 2.2661 2.2961 2.5034 2.5096 2.5526 2.5539 2.6741 2.7194 3.1408 3.1475 3.2106 3.2991 3.3582 3.3697 3.4808 3.5339 3.8030 3.8045 3.8448 3.8618 3.9413 3.9574 4.2660 4.2787 4.6718 4.6833 5.3765 5.3875 5.4200 5.4214 5.8457 5.8558 5.9050 5.9109 6.5067 6.5242 6.5976 6.6056 6.9571 6.9749 6.9921 7.0008 7.3297 7.3319 7.4732 7.4756 7.5998 7.6120 10.9555 10.9795 11.1553 11.1738 14.0536 14.0537 14.5273 14.5416 15.8549 15.8995 17.0088 17.0169 17.6369 17.6645 k = 0.7081-0.1045-0.0724 ( 3679 PWs) bands (ev): -10.7629 -10.7590 -10.6626 -10.6598 -9.7057 -9.7012 -9.5123 -9.5120 -9.1220 -9.1190 -8.9963 -8.9955 -0.4419 -0.4397 -0.1071 -0.1049 1.6610 1.6825 1.9883 1.9941 2.2759 2.3013 2.5091 2.5124 2.5557 2.5595 2.6894 2.7320 3.1354 3.1410 3.2033 3.2915 3.3594 3.3727 3.4853 3.5433 3.7864 3.7898 3.8407 3.8576 3.9419 3.9582 4.2728 4.2856 4.6494 4.6637 5.3733 5.3856 5.4172 5.4193 5.8458 5.8553 5.9108 5.9162 6.5257 6.5430 6.5793 6.5881 6.9372 6.9549 6.9876 6.9957 7.3228 7.3232 7.4828 7.4840 7.5935 7.6058 10.9746 10.9972 11.1909 11.2082 14.0319 14.0323 14.5194 14.5335 15.8236 15.8658 16.9867 16.9941 17.6273 17.6552 k = 0.7185-0.0936-0.0648 ( 3677 PWs) bands (ev): -10.7636 -10.7599 -10.6455 -10.6428 -9.7235 -9.7192 -9.5206 -9.5204 -9.1222 -9.1191 -8.9913 -8.9908 -0.4407 -0.4386 -0.0774 -0.0753 1.6440 1.6639 1.9885 1.9926 2.2859 2.3066 2.5158 2.5163 2.5592 2.5652 2.7040 2.7440 3.1302 3.1336 3.1970 3.2825 3.3603 3.3763 3.4901 3.5528 3.7674 3.7752 3.8398 3.8571 3.9428 3.9594 4.2802 4.2930 4.6255 4.6423 5.3674 5.3803 5.4153 5.4188 5.8453 5.8541 5.9164 5.9212 6.5426 6.5548 6.5631 6.5773 6.9192 6.9365 6.9824 6.9898 7.3125 7.3155 7.4951 7.4952 7.5875 7.5999 10.9917 11.0127 11.2265 11.2426 14.0112 14.0121 14.5117 14.5254 15.7934 15.8330 16.9692 16.9757 17.6188 17.6468 k = 0.7289-0.0827-0.0573 ( 3675 PWs) bands (ev): -10.7660 -10.7626 -10.6278 -10.6253 -9.7391 -9.7352 -9.5284 -9.5282 -9.1235 -9.1205 -8.9862 -8.9859 -0.4412 -0.4391 -0.0475 -0.0454 1.6271 1.6452 1.9881 1.9906 2.2960 2.3121 2.5215 2.5234 2.5630 2.5711 2.7177 2.7552 3.1253 3.1253 3.1918 3.2728 3.3608 3.3802 3.4950 3.5621 3.7487 3.7598 3.8411 3.8597 3.9441 3.9611 4.2883 4.3011 4.6003 4.6196 5.3567 5.3697 5.4169 5.4222 5.8440 5.8519 5.9216 5.9257 6.5352 6.5420 6.5710 6.5907 6.9035 6.9203 6.9766 6.9831 7.3023 7.3078 7.5084 7.5090 7.5819 7.5942 11.0063 11.0256 11.2617 11.2765 13.9916 13.9933 14.5044 14.5178 15.7647 15.8017 16.9561 16.9616 17.6114 17.6394 k = 0.7393-0.0718-0.0497 ( 3670 PWs) bands (ev): -10.7703 -10.7672 -10.6096 -10.6072 -9.7523 -9.7487 -9.5356 -9.5354 -9.1259 -9.1230 -8.9810 -8.9809 -0.4435 -0.4415 -0.0175 -0.0155 1.6103 1.6267 1.9871 1.9881 2.3062 2.3180 2.5278 2.5315 2.5672 2.5770 2.7306 2.7658 3.1165 3.1206 3.1875 3.2624 3.3607 3.3839 3.5001 3.5708 3.7308 3.7443 3.8443 3.8650 3.9457 3.9633 4.2971 4.3098 4.5743 4.5958 5.3411 5.3544 5.4223 5.4292 5.8418 5.8487 5.9260 5.9294 6.5151 6.5218 6.5910 6.6108 6.8907 6.9067 6.9703 6.9758 7.2930 7.3008 7.5228 7.5239 7.5767 7.5890 11.0180 11.0356 11.2964 11.3100 13.9733 13.9758 14.4981 14.5110 15.7378 15.7722 16.9470 16.9515 17.6047 17.6328 k = 0.7497-0.0609-0.0422 ( 3675 PWs) bands (ev): -10.7767 -10.7739 -10.5908 -10.5887 -9.7629 -9.7596 -9.5422 -9.5420 -9.1293 -9.1264 -8.9758 -8.9758 -0.4478 -0.4459 0.0124 0.0143 1.5936 1.6084 1.9851 1.9856 2.3165 2.3242 2.5351 2.5400 2.5715 2.5828 2.7425 2.7756 3.1075 3.1159 3.1840 3.2516 3.3599 3.3871 3.5050 3.5786 3.7139 3.7291 3.8493 3.8726 3.9477 3.9662 4.3065 4.3190 4.5478 4.5712 5.3217 5.3357 5.4307 5.4385 5.8388 5.8446 5.9293 5.9320 6.4932 6.4999 6.6120 6.6314 6.8809 6.8958 6.9636 6.9683 7.2848 7.2947 7.5379 7.5391 7.5721 7.5843 11.0264 11.0421 11.3304 11.3426 13.9564 13.9598 14.4930 14.5053 15.7132 15.7451 16.9415 16.9449 17.5987 17.6267 k = 0.7601-0.0500-0.0346 ( 3679 PWs) bands (ev): -10.7852 -10.7827 -10.5717 -10.5697 -9.7707 -9.7679 -9.5482 -9.5480 -9.1335 -9.1308 -8.9707 -8.9707 -0.4542 -0.4524 0.0421 0.0440 1.5771 1.5905 1.9818 1.9837 2.3269 2.3309 2.5431 2.5484 2.5761 2.5887 2.7535 2.7848 3.0985 3.1114 3.1811 3.2407 3.3584 3.3898 3.5095 3.5852 3.6982 3.7145 3.8562 3.8822 3.9500 3.9701 4.3165 4.3288 4.5211 4.5461 5.2997 5.3149 5.4408 5.4492 5.8353 5.8398 5.9315 5.9335 6.4701 6.4766 6.6328 6.6517 6.8744 6.8880 6.9570 6.9609 7.2782 7.2899 7.5531 7.5541 7.5683 7.5806 11.0312 11.0450 11.3634 11.3743 13.9409 13.9453 14.4894 14.5011 15.6914 15.7209 16.9394 16.9416 17.5930 17.6210 Writing output data file ZnGeO3.save init_run : 3.21s CPU 12.66s WALL ( 1 calls) electrons : 1824.58s CPU 1836.65s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.35s CPU 1.94s WALL ( 1 calls) Called by electrons: c_bands : 1824.54s CPU 1836.21s WALL ( 1 calls) v_of_rho : 0.06s CPU 1.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.06s CPU 0.63s WALL ( 1 calls) newd : 0.27s CPU 0.51s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.06s WALL ( 277 calls) cegterg : 1748.00s CPU 1756.17s WALL ( 1091 calls) Called by sum_band: Called by *egterg: h_psi : 425.22s CPU 436.80s WALL ( 20969 calls) s_psi : 50.40s CPU 51.70s WALL ( 20969 calls) g_psi : 0.89s CPU 0.90s WALL ( 19601 calls) cdiaghg : 1042.73s CPU 1039.88s WALL ( 19878 calls) cegterg:over : 116.95s CPU 111.35s WALL ( 19601 calls) cegterg:upda : 26.24s CPU 30.85s WALL ( 19601 calls) cegterg:last : 18.90s CPU 19.43s WALL ( 2153 calls) Called by h_psi: h_psi:vloc : 310.71s CPU 320.92s WALL ( 20969 calls) h_psi:vnl : 114.08s CPU 114.72s WALL ( 20969 calls) add_vuspsi : 36.91s CPU 43.24s WALL ( 20969 calls) General routines calbec : 77.10s CPU 71.35s WALL ( 20969 calls) fft : 0.35s CPU 1.21s WALL ( 19 calls) ffts : 0.16s CPU 0.55s WALL ( 4 calls) fftw : 294.20s CPU 298.41s WALL ( 1961508 calls) interpolate : 0.16s CPU 0.57s WALL ( 4 calls) davcio : 0.02s CPU 1.93s WALL ( 554 calls) Parallel routines fft_scatter : 182.98s CPU 189.41s WALL ( 1961531 calls) PWSCF : 31m29.52s CPU 34m55.95s WALL This run was terminated on: 15:50:18 23Nov2015 =------------------------------------------------------------------------------= JOB DONE. 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