Program PWSCF v.5.3.0 (svn rev. 11974) starts on 1Feb2017 at 1:14:13 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./TePdI2.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 65 28 7 5113 1449 209 Max 66 29 8 5126 1473 218 Sum 4731 2049 575 368647 105061 15557 bravais-lattice index = 14 lattice parameter (alat) = 8.2581 a.u. unit-cell volume = 1715.6507 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 76.00 number of Kohn-Sham states= 92 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 545.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.258103 celldm(2)= 1.616705 celldm(3)= 2.051716 celldm(4)= 0.360322 celldm(5)= 0.150571 celldm(6)= 0.137617 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.222487 1.601323 0.000000 ) a(3) = ( 0.308928 0.703459 1.902432 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.138939 -0.111011 ) b(2) = ( 0.000000 0.624484 -0.230914 ) b(3) = ( 0.000000 0.000000 0.525643 ) PseudoPot. # 1 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c 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 1245 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for I read from file: /users/gautes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1247 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Pd read from file: /users/gautes/Pseudo/Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 7926b04c0aa9b348bf6cb39d90ce6236 Pseudo is Ultrasoft + core correction, Zval = 18.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1235 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 Te 6.00 127.60000 Te( 1.00) I 7.00 126.90450 I( 1.00) Pd 18.00 106.42000 Pd( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 235 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.5000000 -0.0694697 -0.0555053), wk = 0.0042553 k( 2) = ( 0.4864865 -0.0675921 -0.0540052), wk = 0.0042553 k( 3) = ( 0.4729730 -0.0657146 -0.0525050), wk = 0.0042553 k( 4) = ( 0.4594595 -0.0638370 -0.0510049), wk = 0.0042553 k( 5) = ( 0.4459459 -0.0619594 -0.0495047), wk = 0.0042553 k( 6) = ( 0.4324324 -0.0600819 -0.0480046), wk = 0.0042553 k( 7) = ( 0.4189189 -0.0582043 -0.0465045), wk = 0.0042553 k( 8) = ( 0.4054054 -0.0563268 -0.0450043), wk = 0.0042553 k( 9) = ( 0.3918919 -0.0544492 -0.0435042), wk = 0.0042553 k( 10) = ( 0.3783784 -0.0525717 -0.0420040), wk = 0.0042553 k( 11) = ( 0.3648649 -0.0506941 -0.0405039), wk = 0.0042553 k( 12) = ( 0.3513514 -0.0488165 -0.0390037), wk = 0.0042553 k( 13) = ( 0.3378378 -0.0469390 -0.0375036), wk = 0.0042553 k( 14) = ( 0.3243243 -0.0450614 -0.0360034), wk = 0.0042553 k( 15) = ( 0.3108108 -0.0431839 -0.0345033), wk = 0.0042553 k( 16) = ( 0.2972973 -0.0413063 -0.0330032), wk = 0.0042553 k( 17) = ( 0.2837838 -0.0394287 -0.0315030), wk = 0.0042553 k( 18) = ( 0.2702703 -0.0375512 -0.0300029), wk = 0.0042553 k( 19) = ( 0.2567568 -0.0356736 -0.0285027), wk = 0.0042553 k( 20) = ( 0.2432432 -0.0337961 -0.0270026), wk = 0.0042553 k( 21) = ( 0.2297297 -0.0319185 -0.0255024), wk = 0.0042553 k( 22) = ( 0.2162162 -0.0300409 -0.0240023), wk = 0.0042553 k( 23) = ( 0.2027027 -0.0281634 -0.0225022), wk = 0.0042553 k( 24) = ( 0.1891892 -0.0262858 -0.0210020), wk = 0.0042553 k( 25) = ( 0.1756757 -0.0244083 -0.0195019), wk = 0.0042553 k( 26) = ( 0.1621622 -0.0225307 -0.0180017), wk = 0.0042553 k( 27) = ( 0.1486486 -0.0206531 -0.0165016), wk = 0.0042553 k( 28) = ( 0.1351351 -0.0187756 -0.0150014), wk = 0.0042553 k( 29) = ( 0.1216216 -0.0168980 -0.0135013), wk = 0.0042553 k( 30) = ( 0.1081081 -0.0150205 -0.0120012), wk = 0.0042553 k( 31) = ( 0.0945946 -0.0131429 -0.0105010), wk = 0.0042553 k( 32) = ( 0.0810811 -0.0112654 -0.0090009), wk = 0.0042553 k( 33) = ( 0.0675676 -0.0093878 -0.0075007), wk = 0.0042553 k( 34) = ( 0.0540540 -0.0075102 -0.0060006), wk = 0.0042553 k( 35) = ( 0.0405405 -0.0056327 -0.0045004), wk = 0.0042553 k( 36) = ( 0.0270270 -0.0037551 -0.0030003), wk = 0.0042553 k( 37) = ( 0.0135135 -0.0018776 -0.0015001), wk = 0.0042553 k( 38) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042553 k( 39) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042553 k( 40) = ( 0.0000000 0.0130101 -0.0048107), wk = 0.0042553 k( 41) = ( 0.0000000 0.0260202 -0.0096214), wk = 0.0042553 k( 42) = ( 0.0000000 0.0390302 -0.0144321), wk = 0.0042553 k( 43) = ( 0.0000000 0.0520403 -0.0192428), wk = 0.0042553 k( 44) = ( 0.0000000 0.0650504 -0.0240536), wk = 0.0042553 k( 45) = ( 0.0000000 0.0780605 -0.0288643), wk = 0.0042553 k( 46) = ( 0.0000000 0.0910705 -0.0336750), wk = 0.0042553 k( 47) = ( 0.0000000 0.1040806 -0.0384857), wk = 0.0042553 k( 48) = ( 0.0000000 0.1170907 -0.0432964), wk = 0.0042553 k( 49) = ( 0.0000000 0.1301008 -0.0481071), wk = 0.0042553 k( 50) = ( 0.0000000 0.1431109 -0.0529178), wk = 0.0042553 k( 51) = ( 0.0000000 0.1561209 -0.0577285), wk = 0.0042553 k( 52) = ( 0.0000000 0.1691310 -0.0625392), wk = 0.0042553 k( 53) = ( 0.0000000 0.1821411 -0.0673500), wk = 0.0042553 k( 54) = ( 0.0000000 0.1951512 -0.0721607), wk = 0.0042553 k( 55) = ( 0.0000000 0.2081613 -0.0769714), wk = 0.0042553 k( 56) = ( 0.0000000 0.2211713 -0.0817821), wk = 0.0042553 k( 57) = ( 0.0000000 0.2341814 -0.0865928), wk = 0.0042553 k( 58) = ( 0.0000000 0.2471915 -0.0914035), wk = 0.0042553 k( 59) = ( 0.0000000 0.2602016 -0.0962142), wk = 0.0042553 k( 60) = ( 0.0000000 0.2732117 -0.1010249), wk = 0.0042553 k( 61) = ( 0.0000000 0.2862217 -0.1058356), wk = 0.0042553 k( 62) = ( 0.0000000 0.2992318 -0.1106463), wk = 0.0042553 k( 63) = ( 0.0000000 0.3122419 -0.1154571), wk = 0.0042553 k( 64) = ( 0.5000000 0.2427722 -0.1709624), wk = 0.0042553 k( 65) = ( 0.4880952 0.2369919 -0.1668918), wk = 0.0042553 k( 66) = ( 0.4761905 0.2312116 -0.1628213), wk = 0.0042553 k( 67) = ( 0.4642857 0.2254313 -0.1587508), wk = 0.0042553 k( 68) = ( 0.4523810 0.2196510 -0.1546802), wk = 0.0042553 k( 69) = ( 0.4404762 0.2138708 -0.1506097), wk = 0.0042553 k( 70) = ( 0.4285714 0.2080905 -0.1465392), wk = 0.0042553 k( 71) = ( 0.4166667 0.2023102 -0.1424686), wk = 0.0042553 k( 72) = ( 0.4047619 0.1965299 -0.1383981), wk = 0.0042553 k( 73) = ( 0.3928571 0.1907496 -0.1343276), wk = 0.0042553 k( 74) = ( 0.3809524 0.1849693 -0.1302570), wk = 0.0042553 k( 75) = ( 0.3690476 0.1791890 -0.1261865), wk = 0.0042553 k( 76) = ( 0.3571429 0.1734087 -0.1221160), wk = 0.0042553 k( 77) = ( 0.3452381 0.1676284 -0.1180455), wk = 0.0042553 k( 78) = ( 0.3333333 0.1618481 -0.1139749), wk = 0.0042553 k( 79) = ( 0.3214286 0.1560678 -0.1099044), wk = 0.0042553 k( 80) = ( 0.3095238 0.1502876 -0.1058339), wk = 0.0042553 k( 81) = ( 0.2976190 0.1445073 -0.1017633), wk = 0.0042553 k( 82) = ( 0.2857143 0.1387270 -0.0976928), wk = 0.0042553 k( 83) = ( 0.2738095 0.1329467 -0.0936223), wk = 0.0042553 k( 84) = ( 0.2619048 0.1271664 -0.0895517), wk = 0.0042553 k( 85) = ( 0.2500000 0.1213861 -0.0854812), wk = 0.0042553 k( 86) = ( 0.2380952 0.1156058 -0.0814107), wk = 0.0042553 k( 87) = ( 0.2261905 0.1098255 -0.0773401), wk = 0.0042553 k( 88) = ( 0.2142857 0.1040452 -0.0732696), wk = 0.0042553 k( 89) = ( 0.2023810 0.0982649 -0.0691991), wk = 0.0042553 k( 90) = ( 0.1904762 0.0924847 -0.0651285), wk = 0.0042553 k( 91) = ( 0.1785714 0.0867044 -0.0610580), wk = 0.0042553 k( 92) = ( 0.1666667 0.0809241 -0.0569875), wk = 0.0042553 k( 93) = ( 0.1547619 0.0751438 -0.0529169), wk = 0.0042553 k( 94) = ( 0.1428571 0.0693635 -0.0488464), wk = 0.0042553 k( 95) = ( 0.1309524 0.0635832 -0.0447759), wk = 0.0042553 k( 96) = ( 0.1190476 0.0578029 -0.0407053), wk = 0.0042553 k( 97) = ( 0.1071429 0.0520226 -0.0366348), wk = 0.0042553 k( 98) = ( 0.0952381 0.0462423 -0.0325643), wk = 0.0042553 k( 99) = ( 0.0833333 0.0404620 -0.0284937), wk = 0.0042553 k( 100) = ( 0.0714286 0.0346817 -0.0244232), wk = 0.0042553 k( 101) = ( 0.0595238 0.0289015 -0.0203527), wk = 0.0042553 k( 102) = ( 0.0476191 0.0231212 -0.0162821), wk = 0.0042553 k( 103) = ( 0.0357143 0.0173409 -0.0122116), wk = 0.0042553 k( 104) = ( 0.0238095 0.0115606 -0.0081411), wk = 0.0042553 k( 105) = ( 0.0119048 0.0057803 -0.0040705), wk = 0.0042553 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042553 k( 107) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042553 k( 108) = ( 0.0000000 0.0000000 0.0138327), wk = 0.0042553 k( 109) = ( 0.0000000 0.0000000 0.0276654), wk = 0.0042553 k( 110) = ( 0.0000000 0.0000000 0.0414981), wk = 0.0042553 k( 111) = ( 0.0000000 0.0000000 0.0553308), wk = 0.0042553 k( 112) = ( 0.0000000 0.0000000 0.0691635), wk = 0.0042553 k( 113) = ( 0.0000000 0.0000000 0.0829962), wk = 0.0042553 k( 114) = ( 0.0000000 0.0000000 0.0968290), wk = 0.0042553 k( 115) = ( 0.0000000 0.0000000 0.1106617), wk = 0.0042553 k( 116) = ( 0.0000000 0.0000000 0.1244944), wk = 0.0042553 k( 117) = ( 0.0000000 0.0000000 0.1383271), wk = 0.0042553 k( 118) = ( 0.0000000 0.0000000 0.1521598), wk = 0.0042553 k( 119) = ( 0.0000000 0.0000000 0.1659925), wk = 0.0042553 k( 120) = ( 0.0000000 0.0000000 0.1798252), wk = 0.0042553 k( 121) = ( 0.0000000 0.0000000 0.1936579), wk = 0.0042553 k( 122) = ( 0.0000000 0.0000000 0.2074906), wk = 0.0042553 k( 123) = ( 0.0000000 0.0000000 0.2213233), wk = 0.0042553 k( 124) = ( 0.0000000 0.0000000 0.2351560), wk = 0.0042553 k( 125) = ( 0.0000000 0.0000000 0.2489887), wk = 0.0042553 k( 126) = ( 0.0000000 0.0000000 0.2628214), wk = 0.0042553 k( 127) = ( 0.5000000 -0.0694697 0.2073161), wk = 0.0042553 k( 128) = ( 0.4875000 -0.0677329 0.2021332), wk = 0.0042553 k( 129) = ( 0.4750000 -0.0659962 0.1969503), wk = 0.0042553 k( 130) = ( 0.4625000 -0.0642595 0.1917674), wk = 0.0042553 k( 131) = ( 0.4500000 -0.0625227 0.1865845), wk = 0.0042553 k( 132) = ( 0.4375000 -0.0607860 0.1814016), wk = 0.0042553 k( 133) = ( 0.4250000 -0.0590492 0.1762187), wk = 0.0042553 k( 134) = ( 0.4125000 -0.0573125 0.1710358), wk = 0.0042553 k( 135) = ( 0.4000000 -0.0555757 0.1658529), wk = 0.0042553 k( 136) = ( 0.3875000 -0.0538390 0.1606700), wk = 0.0042553 k( 137) = ( 0.3750000 -0.0521023 0.1554871), wk = 0.0042553 k( 138) = ( 0.3625000 -0.0503655 0.1503042), wk = 0.0042553 k( 139) = ( 0.3500000 -0.0486288 0.1451213), wk = 0.0042553 k( 140) = ( 0.3375000 -0.0468920 0.1399384), wk = 0.0042553 k( 141) = ( 0.3250000 -0.0451553 0.1347555), wk = 0.0042553 k( 142) = ( 0.3125000 -0.0434186 0.1295726), wk = 0.0042553 k( 143) = ( 0.3000000 -0.0416818 0.1243897), wk = 0.0042553 k( 144) = ( 0.2875000 -0.0399451 0.1192068), wk = 0.0042553 k( 145) = ( 0.2750000 -0.0382083 0.1140239), wk = 0.0042553 k( 146) = ( 0.2625000 -0.0364716 0.1088410), wk = 0.0042553 k( 147) = ( 0.2500000 -0.0347348 0.1036581), wk = 0.0042553 k( 148) = ( 0.2375000 -0.0329981 0.0984752), wk = 0.0042553 k( 149) = ( 0.2250000 -0.0312614 0.0932923), wk = 0.0042553 k( 150) = ( 0.2125000 -0.0295246 0.0881093), wk = 0.0042553 k( 151) = ( 0.2000000 -0.0277879 0.0829264), wk = 0.0042553 k( 152) = ( 0.1875000 -0.0260511 0.0777435), wk = 0.0042553 k( 153) = ( 0.1750000 -0.0243144 0.0725606), wk = 0.0042553 k( 154) = ( 0.1625000 -0.0225776 0.0673777), wk = 0.0042553 k( 155) = ( 0.1500000 -0.0208409 0.0621948), wk = 0.0042553 k( 156) = ( 0.1375000 -0.0191042 0.0570119), wk = 0.0042553 k( 157) = ( 0.1250000 -0.0173674 0.0518290), wk = 0.0042553 k( 158) = ( 0.1125000 -0.0156307 0.0466461), wk = 0.0042553 k( 159) = ( 0.1000000 -0.0138939 0.0414632), wk = 0.0042553 k( 160) = ( 0.0875000 -0.0121572 0.0362803), wk = 0.0042553 k( 161) = ( 0.0750000 -0.0104205 0.0310974), wk = 0.0042553 k( 162) = ( 0.0625000 -0.0086837 0.0259145), wk = 0.0042553 k( 163) = ( 0.0500000 -0.0069470 0.0207316), wk = 0.0042553 k( 164) = ( 0.0375000 -0.0052102 0.0155487), wk = 0.0042553 k( 165) = ( 0.0250000 -0.0034735 0.0103658), wk = 0.0042553 k( 166) = ( 0.0125000 -0.0017367 0.0051829), wk = 0.0042553 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042553 k( 168) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042553 k( 169) = ( 0.0000000 0.0124897 0.0058946), wk = 0.0042553 k( 170) = ( 0.0000000 0.0249794 0.0117892), wk = 0.0042553 k( 171) = ( 0.0000000 0.0374690 0.0176837), wk = 0.0042553 k( 172) = ( 0.0000000 0.0499587 0.0235783), wk = 0.0042553 k( 173) = ( 0.0000000 0.0624484 0.0294729), wk = 0.0042553 k( 174) = ( 0.0000000 0.0749381 0.0353675), wk = 0.0042553 k( 175) = ( 0.0000000 0.0874277 0.0412620), wk = 0.0042553 k( 176) = ( 0.0000000 0.0999174 0.0471566), wk = 0.0042553 k( 177) = ( 0.0000000 0.1124071 0.0530512), wk = 0.0042553 k( 178) = ( 0.0000000 0.1248968 0.0589458), wk = 0.0042553 k( 179) = ( 0.0000000 0.1373864 0.0648403), wk = 0.0042553 k( 180) = ( 0.0000000 0.1498761 0.0707349), wk = 0.0042553 k( 181) = ( 0.0000000 0.1623658 0.0766295), wk = 0.0042553 k( 182) = ( 0.0000000 0.1748555 0.0825241), wk = 0.0042553 k( 183) = ( 0.0000000 0.1873451 0.0884186), wk = 0.0042553 k( 184) = ( 0.0000000 0.1998348 0.0943132), wk = 0.0042553 k( 185) = ( 0.0000000 0.2123245 0.1002078), wk = 0.0042553 k( 186) = ( 0.0000000 0.2248142 0.1061024), wk = 0.0042553 k( 187) = ( 0.0000000 0.2373038 0.1119969), wk = 0.0042553 k( 188) = ( 0.0000000 0.2497935 0.1178915), wk = 0.0042553 k( 189) = ( 0.0000000 0.2622832 0.1237861), wk = 0.0042553 k( 190) = ( 0.0000000 0.2747729 0.1296807), wk = 0.0042553 k( 191) = ( 0.0000000 0.2872625 0.1355752), wk = 0.0042553 k( 192) = ( 0.0000000 0.2997522 0.1414698), wk = 0.0042553 k( 193) = ( 0.0000000 0.3122419 0.1473644), wk = 0.0042553 k( 194) = ( 0.5000000 0.2427722 0.0918591), wk = 0.0042553 k( 195) = ( 0.4878049 0.2368509 0.0896186), wk = 0.0042553 k( 196) = ( 0.4756098 0.2309297 0.0873781), wk = 0.0042553 k( 197) = ( 0.4634146 0.2250084 0.0851377), wk = 0.0042553 k( 198) = ( 0.4512195 0.2190871 0.0828972), wk = 0.0042553 k( 199) = ( 0.4390244 0.2131658 0.0806567), wk = 0.0042553 k( 200) = ( 0.4268293 0.2072446 0.0784163), wk = 0.0042553 k( 201) = ( 0.4146341 0.2013233 0.0761758), wk = 0.0042553 k( 202) = ( 0.4024390 0.1954020 0.0739353), wk = 0.0042553 k( 203) = ( 0.3902439 0.1894807 0.0716949), wk = 0.0042553 k( 204) = ( 0.3780488 0.1835595 0.0694544), wk = 0.0042553 k( 205) = ( 0.3658537 0.1776382 0.0672139), wk = 0.0042553 k( 206) = ( 0.3536585 0.1717169 0.0649735), wk = 0.0042553 k( 207) = ( 0.3414634 0.1657957 0.0627330), wk = 0.0042553 k( 208) = ( 0.3292683 0.1598744 0.0604925), wk = 0.0042553 k( 209) = ( 0.3170732 0.1539531 0.0582521), wk = 0.0042553 k( 210) = ( 0.3048781 0.1480318 0.0560116), wk = 0.0042553 k( 211) = ( 0.2926829 0.1421106 0.0537712), wk = 0.0042553 k( 212) = ( 0.2804878 0.1361893 0.0515307), wk = 0.0042553 k( 213) = ( 0.2682927 0.1302680 0.0492902), wk = 0.0042553 k( 214) = ( 0.2560976 0.1243467 0.0470498), wk = 0.0042553 k( 215) = ( 0.2439024 0.1184255 0.0448093), wk = 0.0042553 k( 216) = ( 0.2317073 0.1125042 0.0425688), wk = 0.0042553 k( 217) = ( 0.2195122 0.1065829 0.0403284), wk = 0.0042553 k( 218) = ( 0.2073171 0.1006616 0.0380879), wk = 0.0042553 k( 219) = ( 0.1951219 0.0947404 0.0358474), wk = 0.0042553 k( 220) = ( 0.1829268 0.0888191 0.0336070), wk = 0.0042553 k( 221) = ( 0.1707317 0.0828978 0.0313665), wk = 0.0042553 k( 222) = ( 0.1585366 0.0769766 0.0291260), wk = 0.0042553 k( 223) = ( 0.1463415 0.0710553 0.0268856), wk = 0.0042553 k( 224) = ( 0.1341463 0.0651340 0.0246451), wk = 0.0042553 k( 225) = ( 0.1219512 0.0592127 0.0224046), wk = 0.0042553 k( 226) = ( 0.1097561 0.0532915 0.0201642), wk = 0.0042553 k( 227) = ( 0.0975610 0.0473702 0.0179237), wk = 0.0042553 k( 228) = ( 0.0853658 0.0414489 0.0156833), wk = 0.0042553 k( 229) = ( 0.0731707 0.0355276 0.0134428), wk = 0.0042553 k( 230) = ( 0.0609756 0.0296064 0.0112023), wk = 0.0042553 k( 231) = ( 0.0487805 0.0236851 0.0089619), wk = 0.0042553 k( 232) = ( 0.0365854 0.0177638 0.0067214), wk = 0.0042553 k( 233) = ( 0.0243902 0.0118425 0.0044809), wk = 0.0042553 k( 234) = ( 0.0121951 0.0059213 0.0022405), wk = 0.0042553 k( 235) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042553 cryst. coord. k( 1) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0042553 k( 2) = ( 0.4864865 -0.0000000 -0.0000000), wk = 0.0042553 k( 3) = ( 0.4729730 -0.0000000 -0.0000000), wk = 0.0042553 k( 4) = ( 0.4594595 0.0000000 0.0000000), wk = 0.0042553 k( 5) = ( 0.4459459 -0.0000000 0.0000000), wk = 0.0042553 k( 6) = ( 0.4324324 -0.0000000 0.0000000), wk = 0.0042553 k( 7) = ( 0.4189189 -0.0000000 0.0000000), wk = 0.0042553 k( 8) = ( 0.4054054 -0.0000000 0.0000000), wk = 0.0042553 k( 9) = ( 0.3918919 -0.0000000 0.0000000), wk = 0.0042553 k( 10) = ( 0.3783784 -0.0000000 0.0000000), wk = 0.0042553 k( 11) = ( 0.3648649 -0.0000000 0.0000000), wk = 0.0042553 k( 12) = ( 0.3513514 -0.0000000 0.0000000), wk = 0.0042553 k( 13) = ( 0.3378378 -0.0000000 -0.0000000), wk = 0.0042553 k( 14) = ( 0.3243243 -0.0000000 0.0000000), wk = 0.0042553 k( 15) = ( 0.3108108 -0.0000000 0.0000000), wk = 0.0042553 k( 16) = ( 0.2972973 -0.0000000 0.0000000), wk = 0.0042553 k( 17) = ( 0.2837838 -0.0000000 0.0000000), wk = 0.0042553 k( 18) = ( 0.2702703 -0.0000000 0.0000000), wk = 0.0042553 k( 19) = ( 0.2567568 -0.0000000 0.0000000), wk = 0.0042553 k( 20) = ( 0.2432432 -0.0000000 0.0000000), wk = 0.0042553 k( 21) = ( 0.2297297 0.0000000 0.0000000), wk = 0.0042553 k( 22) = ( 0.2162162 -0.0000000 0.0000000), wk = 0.0042553 k( 23) = ( 0.2027027 -0.0000000 0.0000000), wk = 0.0042553 k( 24) = ( 0.1891892 -0.0000000 0.0000000), wk = 0.0042553 k( 25) = ( 0.1756757 -0.0000000 0.0000000), wk = 0.0042553 k( 26) = ( 0.1621622 -0.0000000 0.0000000), wk = 0.0042553 k( 27) = ( 0.1486486 -0.0000000 0.0000000), wk = 0.0042553 k( 28) = ( 0.1351351 -0.0000000 0.0000000), wk = 0.0042553 k( 29) = ( 0.1216216 -0.0000000 0.0000000), wk = 0.0042553 k( 30) = ( 0.1081081 -0.0000000 0.0000000), wk = 0.0042553 k( 31) = ( 0.0945946 -0.0000000 0.0000000), wk = 0.0042553 k( 32) = ( 0.0810811 -0.0000000 0.0000000), wk = 0.0042553 k( 33) = ( 0.0675676 -0.0000000 0.0000000), wk = 0.0042553 k( 34) = ( 0.0540540 0.0000000 0.0000000), wk = 0.0042553 k( 35) = ( 0.0405405 -0.0000000 0.0000000), wk = 0.0042553 k( 36) = ( 0.0270270 -0.0000000 0.0000000), wk = 0.0042553 k( 37) = ( 0.0135135 -0.0000000 0.0000000), wk = 0.0042553 k( 38) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042553 k( 39) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042553 k( 40) = ( 0.0000000 0.0208333 0.0000000), wk = 0.0042553 k( 41) = ( 0.0000000 0.0416667 -0.0000000), wk = 0.0042553 k( 42) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0042553 k( 43) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0042553 k( 44) = ( 0.0000000 0.1041667 0.0000000), wk = 0.0042553 k( 45) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0042553 k( 46) = ( 0.0000000 0.1458333 0.0000000), wk = 0.0042553 k( 47) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0042553 k( 48) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0042553 k( 49) = ( 0.0000000 0.2083333 0.0000000), wk = 0.0042553 k( 50) = ( 0.0000000 0.2291667 0.0000000), wk = 0.0042553 k( 51) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0042553 k( 52) = ( 0.0000000 0.2708333 0.0000000), wk = 0.0042553 k( 53) = ( 0.0000000 0.2916667 0.0000000), wk = 0.0042553 k( 54) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0042553 k( 55) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0042553 k( 56) = ( 0.0000000 0.3541667 0.0000000), wk = 0.0042553 k( 57) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0042553 k( 58) = ( 0.0000000 0.3958333 -0.0000000), wk = 0.0042553 k( 59) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0042553 k( 60) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0042553 k( 61) = ( 0.0000000 0.4583333 0.0000000), wk = 0.0042553 k( 62) = ( 0.0000000 0.4791667 -0.0000000), wk = 0.0042553 k( 63) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0042553 k( 64) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0042553 k( 65) = ( 0.4880952 0.4880952 -0.0000000), wk = 0.0042553 k( 66) = ( 0.4761905 0.4761905 0.0000000), wk = 0.0042553 k( 67) = ( 0.4642857 0.4642857 -0.0000000), wk = 0.0042553 k( 68) = ( 0.4523810 0.4523810 0.0000000), wk = 0.0042553 k( 69) = ( 0.4404762 0.4404762 -0.0000000), wk = 0.0042553 k( 70) = ( 0.4285714 0.4285714 0.0000000), wk = 0.0042553 k( 71) = ( 0.4166667 0.4166667 0.0000000), wk = 0.0042553 k( 72) = ( 0.4047619 0.4047619 0.0000000), wk = 0.0042553 k( 73) = ( 0.3928571 0.3928571 0.0000000), wk = 0.0042553 k( 74) = ( 0.3809524 0.3809524 0.0000000), wk = 0.0042553 k( 75) = ( 0.3690476 0.3690476 0.0000000), wk = 0.0042553 k( 76) = ( 0.3571429 0.3571429 0.0000000), wk = 0.0042553 k( 77) = ( 0.3452381 0.3452381 0.0000000), wk = 0.0042553 k( 78) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0042553 k( 79) = ( 0.3214286 0.3214286 0.0000000), wk = 0.0042553 k( 80) = ( 0.3095238 0.3095238 0.0000000), wk = 0.0042553 k( 81) = ( 0.2976190 0.2976190 0.0000000), wk = 0.0042553 k( 82) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0042553 k( 83) = ( 0.2738095 0.2738095 0.0000000), wk = 0.0042553 k( 84) = ( 0.2619048 0.2619048 0.0000000), wk = 0.0042553 k( 85) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0042553 k( 86) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0042553 k( 87) = ( 0.2261905 0.2261905 0.0000000), wk = 0.0042553 k( 88) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0042553 k( 89) = ( 0.2023810 0.2023810 0.0000000), wk = 0.0042553 k( 90) = ( 0.1904762 0.1904762 0.0000000), wk = 0.0042553 k( 91) = ( 0.1785714 0.1785714 0.0000000), wk = 0.0042553 k( 92) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0042553 k( 93) = ( 0.1547619 0.1547619 -0.0000000), wk = 0.0042553 k( 94) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0042553 k( 95) = ( 0.1309524 0.1309524 0.0000000), wk = 0.0042553 k( 96) = ( 0.1190476 0.1190476 0.0000000), wk = 0.0042553 k( 97) = ( 0.1071429 0.1071429 0.0000000), wk = 0.0042553 k( 98) = ( 0.0952381 0.0952381 0.0000000), wk = 0.0042553 k( 99) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0042553 k( 100) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0042553 k( 101) = ( 0.0595238 0.0595238 0.0000000), wk = 0.0042553 k( 102) = ( 0.0476191 0.0476191 0.0000000), wk = 0.0042553 k( 103) = ( 0.0357143 0.0357143 0.0000000), wk = 0.0042553 k( 104) = ( 0.0238095 0.0238095 0.0000000), wk = 0.0042553 k( 105) = ( 0.0119048 0.0119048 0.0000000), wk = 0.0042553 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042553 k( 107) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042553 k( 108) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0042553 k( 109) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0042553 k( 110) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0042553 k( 111) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0042553 k( 112) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0042553 k( 113) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0042553 k( 114) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0042553 k( 115) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0042553 k( 116) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0042553 k( 117) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0042553 k( 118) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0042553 k( 119) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0042553 k( 120) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0042553 k( 121) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0042553 k( 122) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0042553 k( 123) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0042553 k( 124) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0042553 k( 125) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0042553 k( 126) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0042553 k( 127) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0042553 k( 128) = ( 0.4875000 0.0000000 0.4875000), wk = 0.0042553 k( 129) = ( 0.4750000 -0.0000000 0.4750000), wk = 0.0042553 k( 130) = ( 0.4625000 -0.0000000 0.4625000), wk = 0.0042553 k( 131) = ( 0.4500000 0.0000000 0.4500000), wk = 0.0042553 k( 132) = ( 0.4375000 -0.0000000 0.4375000), wk = 0.0042553 k( 133) = ( 0.4250000 -0.0000000 0.4250000), wk = 0.0042553 k( 134) = ( 0.4125000 -0.0000000 0.4125000), wk = 0.0042553 k( 135) = ( 0.4000000 -0.0000000 0.4000000), wk = 0.0042553 k( 136) = ( 0.3875000 0.0000000 0.3875000), wk = 0.0042553 k( 137) = ( 0.3750000 -0.0000000 0.3750000), wk = 0.0042553 k( 138) = ( 0.3625000 -0.0000000 0.3625000), wk = 0.0042553 k( 139) = ( 0.3500000 -0.0000000 0.3500000), wk = 0.0042553 k( 140) = ( 0.3375000 -0.0000000 0.3375000), wk = 0.0042553 k( 141) = ( 0.3250000 -0.0000000 0.3250000), wk = 0.0042553 k( 142) = ( 0.3125000 -0.0000000 0.3125000), wk = 0.0042553 k( 143) = ( 0.3000000 0.0000000 0.3000000), wk = 0.0042553 k( 144) = ( 0.2875000 0.0000000 0.2875000), wk = 0.0042553 k( 145) = ( 0.2750000 -0.0000000 0.2750000), wk = 0.0042553 k( 146) = ( 0.2625000 -0.0000000 0.2625000), wk = 0.0042553 k( 147) = ( 0.2500000 -0.0000000 0.2500000), wk = 0.0042553 k( 148) = ( 0.2375000 -0.0000000 0.2375000), wk = 0.0042553 k( 149) = ( 0.2250000 0.0000000 0.2250000), wk = 0.0042553 k( 150) = ( 0.2125000 -0.0000000 0.2125000), wk = 0.0042553 k( 151) = ( 0.2000000 -0.0000000 0.2000000), wk = 0.0042553 k( 152) = ( 0.1875000 -0.0000000 0.1875000), wk = 0.0042553 k( 153) = ( 0.1750000 -0.0000000 0.1750000), wk = 0.0042553 k( 154) = ( 0.1625000 -0.0000000 0.1625000), wk = 0.0042553 k( 155) = ( 0.1500000 0.0000000 0.1500000), wk = 0.0042553 k( 156) = ( 0.1375000 -0.0000000 0.1375000), wk = 0.0042553 k( 157) = ( 0.1250000 -0.0000000 0.1250000), wk = 0.0042553 k( 158) = ( 0.1125000 0.0000000 0.1125000), wk = 0.0042553 k( 159) = ( 0.1000000 -0.0000000 0.1000000), wk = 0.0042553 k( 160) = ( 0.0875000 -0.0000000 0.0875000), wk = 0.0042553 k( 161) = ( 0.0750000 0.0000000 0.0750000), wk = 0.0042553 k( 162) = ( 0.0625000 -0.0000000 0.0625000), wk = 0.0042553 k( 163) = ( 0.0500000 -0.0000000 0.0500000), wk = 0.0042553 k( 164) = ( 0.0375000 0.0000000 0.0375000), wk = 0.0042553 k( 165) = ( 0.0250000 -0.0000000 0.0250000), wk = 0.0042553 k( 166) = ( 0.0125000 -0.0000000 0.0125000), wk = 0.0042553 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042553 k( 168) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042553 k( 169) = ( 0.0000000 0.0200000 0.0200000), wk = 0.0042553 k( 170) = ( 0.0000000 0.0400000 0.0400000), wk = 0.0042553 k( 171) = ( 0.0000000 0.0600000 0.0600000), wk = 0.0042553 k( 172) = ( 0.0000000 0.0800000 0.0800000), wk = 0.0042553 k( 173) = ( 0.0000000 0.1000000 0.1000000), wk = 0.0042553 k( 174) = ( 0.0000000 0.1200000 0.1200000), wk = 0.0042553 k( 175) = ( 0.0000000 0.1400000 0.1400000), wk = 0.0042553 k( 176) = ( 0.0000000 0.1600000 0.1600000), wk = 0.0042553 k( 177) = ( 0.0000000 0.1800000 0.1800000), wk = 0.0042553 k( 178) = ( 0.0000000 0.2000000 0.2000000), wk = 0.0042553 k( 179) = ( 0.0000000 0.2200000 0.2200000), wk = 0.0042553 k( 180) = ( 0.0000000 0.2400000 0.2400000), wk = 0.0042553 k( 181) = ( 0.0000000 0.2600000 0.2600000), wk = 0.0042553 k( 182) = ( 0.0000000 0.2800000 0.2800000), wk = 0.0042553 k( 183) = ( 0.0000000 0.3000000 0.3000000), wk = 0.0042553 k( 184) = ( 0.0000000 0.3200000 0.3200000), wk = 0.0042553 k( 185) = ( 0.0000000 0.3400000 0.3400000), wk = 0.0042553 k( 186) = ( 0.0000000 0.3600000 0.3600000), wk = 0.0042553 k( 187) = ( 0.0000000 0.3800000 0.3800000), wk = 0.0042553 k( 188) = ( 0.0000000 0.4000000 0.4000000), wk = 0.0042553 k( 189) = ( 0.0000000 0.4200000 0.4200000), wk = 0.0042553 k( 190) = ( 0.0000000 0.4400000 0.4400000), wk = 0.0042553 k( 191) = ( 0.0000000 0.4600000 0.4600000), wk = 0.0042553 k( 192) = ( 0.0000000 0.4800000 0.4800000), wk = 0.0042553 k( 193) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0042553 k( 194) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0042553 k( 195) = ( 0.4878049 0.4878049 0.4878049), wk = 0.0042553 k( 196) = ( 0.4756098 0.4756098 0.4756098), wk = 0.0042553 k( 197) = ( 0.4634146 0.4634146 0.4634146), wk = 0.0042553 k( 198) = ( 0.4512195 0.4512195 0.4512195), wk = 0.0042553 k( 199) = ( 0.4390244 0.4390244 0.4390244), wk = 0.0042553 k( 200) = ( 0.4268293 0.4268293 0.4268293), wk = 0.0042553 k( 201) = ( 0.4146341 0.4146341 0.4146341), wk = 0.0042553 k( 202) = ( 0.4024390 0.4024390 0.4024390), wk = 0.0042553 k( 203) = ( 0.3902439 0.3902439 0.3902439), wk = 0.0042553 k( 204) = ( 0.3780488 0.3780488 0.3780488), wk = 0.0042553 k( 205) = ( 0.3658537 0.3658537 0.3658537), wk = 0.0042553 k( 206) = ( 0.3536585 0.3536585 0.3536585), wk = 0.0042553 k( 207) = ( 0.3414634 0.3414634 0.3414634), wk = 0.0042553 k( 208) = ( 0.3292683 0.3292683 0.3292683), wk = 0.0042553 k( 209) = ( 0.3170732 0.3170732 0.3170732), wk = 0.0042553 k( 210) = ( 0.3048781 0.3048781 0.3048781), wk = 0.0042553 k( 211) = ( 0.2926829 0.2926829 0.2926829), wk = 0.0042553 k( 212) = ( 0.2804878 0.2804878 0.2804878), wk = 0.0042553 k( 213) = ( 0.2682927 0.2682927 0.2682927), wk = 0.0042553 k( 214) = ( 0.2560976 0.2560976 0.2560976), wk = 0.0042553 k( 215) = ( 0.2439024 0.2439024 0.2439024), wk = 0.0042553 k( 216) = ( 0.2317073 0.2317073 0.2317073), wk = 0.0042553 k( 217) = ( 0.2195122 0.2195122 0.2195122), wk = 0.0042553 k( 218) = ( 0.2073171 0.2073171 0.2073171), wk = 0.0042553 k( 219) = ( 0.1951219 0.1951219 0.1951219), wk = 0.0042553 k( 220) = ( 0.1829268 0.1829268 0.1829268), wk = 0.0042553 k( 221) = ( 0.1707317 0.1707317 0.1707317), wk = 0.0042553 k( 222) = ( 0.1585366 0.1585366 0.1585366), wk = 0.0042553 k( 223) = ( 0.1463415 0.1463415 0.1463415), wk = 0.0042553 k( 224) = ( 0.1341463 0.1341463 0.1341463), wk = 0.0042553 k( 225) = ( 0.1219512 0.1219512 0.1219512), wk = 0.0042553 k( 226) = ( 0.1097561 0.1097561 0.1097561), wk = 0.0042553 k( 227) = ( 0.0975610 0.0975610 0.0975610), wk = 0.0042553 k( 228) = ( 0.0853658 0.0853658 0.0853658), wk = 0.0042553 k( 229) = ( 0.0731707 0.0731707 0.0731707), wk = 0.0042553 k( 230) = ( 0.0609756 0.0609756 0.0609756), wk = 0.0042553 k( 231) = ( 0.0487805 0.0487805 0.0487805), wk = 0.0042553 k( 232) = ( 0.0365854 0.0365854 0.0365854), wk = 0.0042553 k( 233) = ( 0.0243902 0.0243902 0.0243902), wk = 0.0042553 k( 234) = ( 0.0121951 0.0121951 0.0121951), wk = 0.0042553 k( 235) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042553 Dense grid: 368647 G-vectors FFT dimensions: ( 64, 100, 125) Smooth grid: 105061 G-vectors FFT dimensions: ( 45, 72, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.54 Mb ( 384, 92) NL pseudopotentials 0.80 Mb ( 192, 272) Each V/rho on FFT grid 0.20 Mb ( 12800) Each G-vector array 0.04 Mb ( 5114) G-vector shells 0.04 Mb ( 4944) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.16 Mb ( 384, 368) Each subspace H/S matrix 0.06 Mb ( 61, 61) Each matrix 0.76 Mb ( 272, 2, 92) The potential is recalculated from file : ./TePdI2.save/charge-density.dat Starting wfc are 88 randomized atomic wfcs + 4 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.5 secs Computing kpt #: 2 total cpu time spent up to now is 7.6 secs Computing kpt #: 3 total cpu time spent up to now is 9.6 secs Computing kpt #: 4 total cpu time spent up to now is 11.7 secs Computing kpt #: 5 total cpu time spent up to now is 13.7 secs Computing kpt #: 6 total cpu time spent up to now is 16.0 secs Computing kpt #: 7 total cpu time spent up to now is 18.0 secs Computing kpt #: 8 total cpu time spent up to now is 20.3 secs Computing kpt #: 9 total cpu time spent up to now is 22.3 secs Computing kpt #: 10 total cpu time spent up to now is 24.3 secs Computing kpt #: 11 total cpu time spent up to now is 26.3 secs Computing kpt #: 12 total cpu time spent up to now is 28.3 secs Computing kpt #: 13 total cpu time spent up to now is 30.2 secs Computing kpt #: 14 total cpu time spent up to now is 32.2 secs Computing kpt #: 15 total cpu time spent up to now is 34.1 secs Computing kpt #: 16 total cpu time spent up to now is 36.0 secs Computing kpt #: 17 total cpu time spent up to now is 38.0 secs Computing kpt #: 18 total cpu time spent up to now is 40.0 secs Computing kpt #: 19 total cpu time spent up to now is 42.0 secs Computing kpt #: 20 total cpu time spent up to now is 43.9 secs Computing kpt #: 21 total cpu time spent up to now is 45.9 secs Computing kpt #: 22 total cpu time spent up to now is 47.8 secs Computing kpt #: 23 total cpu time spent up to now is 49.8 secs Computing kpt #: 24 total cpu time spent up to now is 51.8 secs Computing kpt #: 25 total cpu time spent up to now is 53.7 secs Computing kpt #: 26 total cpu time spent up to now is 55.6 secs Computing kpt #: 27 total cpu time spent up to now is 57.6 secs Computing kpt #: 28 total cpu time spent up to now is 59.5 secs Computing kpt #: 29 total cpu time spent up to now is 61.4 secs Computing kpt #: 30 total cpu time spent up to now is 63.4 secs Computing kpt #: 31 total cpu time spent up to now is 65.3 secs Computing kpt #: 32 total cpu time spent up to now is 67.3 secs Computing kpt #: 33 total cpu time spent up to now is 69.2 secs Computing kpt #: 34 total cpu time spent up to now is 71.2 secs Computing kpt #: 35 total cpu time spent up to now is 73.1 secs Computing kpt #: 36 total cpu time spent up to now is 75.0 secs Computing kpt #: 37 total cpu time spent up to now is 76.9 secs Computing kpt #: 38 total cpu time spent up to now is 78.9 secs Computing kpt #: 39 total cpu time spent up to now is 80.8 secs Computing kpt #: 40 total cpu time spent up to now is 82.7 secs Computing kpt #: 41 total cpu time spent up to now is 84.6 secs Computing kpt #: 42 total cpu time spent up to now is 86.5 secs Computing kpt #: 43 total cpu time spent up to now is 88.5 secs Computing kpt #: 44 total cpu time spent up to now is 90.3 secs Computing kpt #: 45 total cpu time spent up to now is 92.2 secs Computing kpt #: 46 total cpu time spent up to now is 94.1 secs Computing kpt #: 47 total cpu time spent up to now is 96.0 secs Computing kpt #: 48 total cpu time spent up to now is 97.9 secs Computing kpt #: 49 total cpu time spent up to now is 99.8 secs Computing kpt #: 50 total cpu time spent up to now is 101.7 secs Computing kpt #: 51 total cpu time spent up to now is 103.7 secs Computing kpt #: 52 total cpu time spent up to now is 105.7 secs Computing kpt #: 53 total cpu time spent up to now is 107.6 secs Computing kpt #: 54 total cpu time spent up to now is 109.7 secs Computing kpt #: 55 total cpu time spent up to now is 111.9 secs Computing kpt #: 56 total cpu time spent up to now is 113.9 secs Computing kpt #: 57 total cpu time spent up to now is 115.9 secs Computing kpt #: 58 total cpu time spent up to now is 117.9 secs Computing kpt #: 59 total cpu time spent up to now is 119.8 secs Computing kpt #: 60 total cpu time spent up to now is 121.8 secs Computing kpt #: 61 total cpu time spent up to now is 123.8 secs Computing kpt #: 62 total cpu time spent up to now is 125.7 secs Computing kpt #: 63 total cpu time spent up to now is 127.7 secs Computing kpt #: 64 total cpu time spent up to now is 129.5 secs Computing kpt #: 65 total cpu time spent up to now is 131.4 secs Computing kpt #: 66 total cpu time spent up to now is 133.3 secs Computing kpt #: 67 total cpu time spent up to now is 135.1 secs Computing kpt #: 68 total cpu time spent up to now is 137.0 secs Computing kpt #: 69 total cpu time spent up to now is 138.8 secs Computing kpt #: 70 total cpu time spent up to now is 140.7 secs Computing kpt #: 71 total cpu time spent up to now is 142.6 secs Computing kpt #: 72 total cpu time spent up to now is 144.4 secs Computing kpt #: 73 total cpu time spent up to now is 146.3 secs Computing kpt #: 74 total cpu time spent up to now is 148.2 secs Computing kpt #: 75 total cpu time spent up to now is 150.1 secs Computing kpt #: 76 total cpu time spent up to now is 152.0 secs Computing kpt #: 77 total cpu time spent up to now is 154.0 secs Computing kpt #: 78 total cpu time spent up to now is 155.9 secs Computing kpt #: 79 total cpu time spent up to now is 157.8 secs Computing kpt #: 80 total cpu time spent up to now is 159.8 secs Computing kpt #: 81 total cpu time spent up to now is 161.7 secs Computing kpt #: 82 total cpu time spent up to now is 163.7 secs Computing kpt #: 83 total cpu time spent up to now is 165.7 secs Computing kpt #: 84 total cpu time spent up to now is 167.7 secs Computing kpt #: 85 total cpu time spent up to now is 169.7 secs Computing kpt #: 86 total cpu time spent up to now is 171.6 secs Computing kpt #: 87 total cpu time spent up to now is 173.6 secs Computing kpt #: 88 total cpu time spent up to now is 175.6 secs Computing kpt #: 89 total cpu time spent up to now is 177.5 secs Computing kpt #: 90 total cpu time spent up to now is 179.4 secs Computing kpt #: 91 total cpu time spent up to now is 181.4 secs Computing kpt #: 92 total cpu time spent up to now is 183.3 secs Computing kpt #: 93 total cpu time spent up to now is 185.2 secs Computing kpt #: 94 total cpu time spent up to now is 187.2 secs Computing kpt #: 95 total cpu time spent up to now is 189.0 secs Computing kpt #: 96 total cpu time spent up to now is 190.9 secs Computing kpt #: 97 total cpu time spent up to now is 192.8 secs Computing kpt #: 98 total cpu time spent up to now is 194.7 secs Computing kpt #: 99 total cpu time spent up to now is 196.5 secs Computing kpt #: 100 total cpu time spent up to now is 198.4 secs Computing kpt #: 101 total cpu time spent up to now is 200.3 secs Computing kpt #: 102 total cpu time spent up to now is 202.2 secs Computing kpt #: 103 total cpu time spent up to now is 204.1 secs Computing kpt #: 104 total cpu time spent up to now is 206.0 secs Computing kpt #: 105 total cpu time spent up to now is 208.0 secs Computing kpt #: 106 total cpu time spent up to now is 209.9 secs Computing kpt #: 107 total cpu time spent up to now is 211.8 secs Computing kpt #: 108 total cpu time spent up to now is 214.0 secs Computing kpt #: 109 total cpu time spent up to now is 215.9 secs Computing kpt #: 110 total cpu time spent up to now is 217.8 secs Computing kpt #: 111 total cpu time spent up to now is 219.8 secs Computing kpt #: 112 total cpu time spent up to now is 222.0 secs Computing kpt #: 113 total cpu time spent up to now is 223.8 secs Computing kpt #: 114 total cpu time spent up to now is 225.8 secs Computing kpt #: 115 total cpu time spent up to now is 227.7 secs Computing kpt #: 116 total cpu time spent up to now is 229.6 secs Computing kpt #: 117 total cpu time spent up to now is 231.5 secs Computing kpt #: 118 total cpu time spent up to now is 233.4 secs Computing kpt #: 119 total cpu time spent up to now is 235.4 secs Computing kpt #: 120 total cpu time spent up to now is 237.3 secs Computing kpt #: 121 total cpu time spent up to now is 239.3 secs Computing kpt #: 122 total cpu time spent up to now is 241.3 secs Computing kpt #: 123 total cpu time spent up to now is 243.6 secs Computing kpt #: 124 total cpu time spent up to now is 245.9 secs Computing kpt #: 125 total cpu time spent up to now is 248.2 secs Computing kpt #: 126 total cpu time spent up to now is 250.5 secs Computing kpt #: 127 total cpu time spent up to now is 252.5 secs Computing kpt #: 128 total cpu time spent up to now is 254.4 secs Computing kpt #: 129 total cpu time spent up to now is 256.2 secs Computing kpt #: 130 total cpu time spent up to now is 258.2 secs Computing kpt #: 131 total cpu time spent up to now is 260.1 secs Computing kpt #: 132 total cpu time spent up to now is 262.0 secs Computing kpt #: 133 total cpu time spent up to now is 263.9 secs Computing kpt #: 134 total cpu time spent up to now is 265.8 secs Computing kpt #: 135 total cpu time spent up to now is 267.7 secs Computing kpt #: 136 total cpu time spent up to now is 269.6 secs Computing kpt #: 137 total cpu time spent up to now is 271.6 secs Computing kpt #: 138 total cpu time spent up to now is 273.5 secs Computing kpt #: 139 total cpu time spent up to now is 275.4 secs Computing kpt #: 140 total cpu time spent up to now is 277.4 secs Computing kpt #: 141 total cpu time spent up to now is 279.4 secs Computing kpt #: 142 total cpu time spent up to now is 281.4 secs Computing kpt #: 143 total cpu time spent up to now is 283.4 secs Computing kpt #: 144 total cpu time spent up to now is 285.4 secs Computing kpt #: 145 total cpu time spent up to now is 287.4 secs Computing kpt #: 146 total cpu time spent up to now is 289.4 secs Computing kpt #: 147 total cpu time spent up to now is 291.4 secs Computing kpt #: 148 total cpu time spent up to now is 293.4 secs Computing kpt #: 149 total cpu time spent up to now is 295.4 secs Computing kpt #: 150 total cpu time spent up to now is 297.4 secs Computing kpt #: 151 total cpu time spent up to now is 299.4 secs Computing kpt #: 152 total cpu time spent up to now is 301.4 secs Computing kpt #: 153 total cpu time spent up to now is 303.3 secs Computing kpt #: 154 total cpu time spent up to now is 305.3 secs Computing kpt #: 155 total cpu time spent up to now is 307.3 secs Computing kpt #: 156 total cpu time spent up to now is 309.2 secs Computing kpt #: 157 total cpu time spent up to now is 311.2 secs Computing kpt #: 158 total cpu time spent up to now is 313.6 secs Computing kpt #: 159 total cpu time spent up to now is 315.6 secs Computing kpt #: 160 total cpu time spent up to now is 317.6 secs Computing kpt #: 161 total cpu time spent up to now is 319.5 secs Computing kpt #: 162 total cpu time spent up to now is 321.5 secs Computing kpt #: 163 total cpu time spent up to now is 323.4 secs Computing kpt #: 164 total cpu time spent up to now is 325.3 secs Computing kpt #: 165 total cpu time spent up to now is 327.3 secs Computing kpt #: 166 total cpu time spent up to now is 329.2 secs Computing kpt #: 167 total cpu time spent up to now is 331.1 secs Computing kpt #: 168 total cpu time spent up to now is 333.1 secs Computing kpt #: 169 total cpu time spent up to now is 335.0 secs Computing kpt #: 170 total cpu time spent up to now is 336.9 secs Computing kpt #: 171 total cpu time spent up to now is 338.9 secs Computing kpt #: 172 total cpu time spent up to now is 340.8 secs Computing kpt #: 173 total cpu time spent up to now is 342.8 secs Computing kpt #: 174 total cpu time spent up to now is 344.8 secs Computing kpt #: 175 total cpu time spent up to now is 346.7 secs Computing kpt #: 176 total cpu time spent up to now is 348.7 secs Computing kpt #: 177 total cpu time spent up to now is 350.7 secs Computing kpt #: 178 total cpu time spent up to now is 352.7 secs Computing kpt #: 179 total cpu time spent up to now is 354.8 secs Computing kpt #: 180 total cpu time spent up to now is 356.9 secs Computing kpt #: 181 total cpu time spent up to now is 359.0 secs Computing kpt #: 182 total cpu time spent up to now is 361.1 secs Computing kpt #: 183 total cpu time spent up to now is 363.2 secs Computing kpt #: 184 total cpu time spent up to now is 365.3 secs Computing kpt #: 185 total cpu time spent up to now is 367.3 secs Computing kpt #: 186 total cpu time spent up to now is 369.4 secs Computing kpt #: 187 total cpu time spent up to now is 371.5 secs Computing kpt #: 188 total cpu time spent up to now is 373.5 secs Computing kpt #: 189 total cpu time spent up to now is 375.6 secs Computing kpt #: 190 total cpu time spent up to now is 377.6 secs Computing kpt #: 191 total cpu time spent up to now is 379.7 secs Computing kpt #: 192 total cpu time spent up to now is 381.7 secs Computing kpt #: 193 total cpu time spent up to now is 383.7 secs Computing kpt #: 194 total cpu time spent up to now is 385.7 secs Computing kpt #: 195 total cpu time spent up to now is 387.6 secs Computing kpt #: 196 total cpu time spent up to now is 389.5 secs Computing kpt #: 197 total cpu time spent up to now is 391.4 secs Computing kpt #: 198 total cpu time spent up to now is 393.4 secs Computing kpt #: 199 total cpu time spent up to now is 395.3 secs Computing kpt #: 200 total cpu time spent up to now is 397.3 secs Computing kpt #: 201 total cpu time spent up to now is 399.2 secs Computing kpt #: 202 total cpu time spent up to now is 401.2 secs Computing kpt #: 203 total cpu time spent up to now is 403.1 secs Computing kpt #: 204 total cpu time spent up to now is 405.0 secs Computing kpt #: 205 total cpu time spent up to now is 407.0 secs Computing kpt #: 206 total cpu time spent up to now is 409.0 secs Computing kpt #: 207 total cpu time spent up to now is 411.0 secs Computing kpt #: 208 total cpu time spent up to now is 413.1 secs Computing kpt #: 209 total cpu time spent up to now is 415.2 secs Computing kpt #: 210 total cpu time spent up to now is 417.2 secs Computing kpt #: 211 total cpu time spent up to now is 419.2 secs Computing kpt #: 212 total cpu time spent up to now is 421.1 secs Computing kpt #: 213 total cpu time spent up to now is 423.1 secs Computing kpt #: 214 total cpu time spent up to now is 425.1 secs Computing kpt #: 215 total cpu time spent up to now is 427.0 secs Computing kpt #: 216 total cpu time spent up to now is 429.2 secs Computing kpt #: 217 total cpu time spent up to now is 431.2 secs Computing kpt #: 218 total cpu time spent up to now is 433.1 secs Computing kpt #: 219 total cpu time spent up to now is 435.0 secs Computing kpt #: 220 total cpu time spent up to now is 437.0 secs Computing kpt #: 221 total cpu time spent up to now is 438.9 secs Computing kpt #: 222 total cpu time spent up to now is 440.8 secs Computing kpt #: 223 total cpu time spent up to now is 442.7 secs Computing kpt #: 224 total cpu time spent up to now is 444.7 secs Computing kpt #: 225 total cpu time spent up to now is 446.6 secs Computing kpt #: 226 total cpu time spent up to now is 448.6 secs Computing kpt #: 227 total cpu time spent up to now is 450.5 secs Computing kpt #: 228 total cpu time spent up to now is 452.5 secs Computing kpt #: 229 total cpu time spent up to now is 454.4 secs Computing kpt #: 230 total cpu time spent up to now is 456.3 secs Computing kpt #: 231 total cpu time spent up to now is 458.3 secs Computing kpt #: 232 total cpu time spent up to now is 460.3 secs Computing kpt #: 233 total cpu time spent up to now is 462.2 secs Computing kpt #: 234 total cpu time spent up to now is 464.1 secs Computing kpt #: 235 total cpu time spent up to now is 466.1 secs ethr = 1.32E-08, avg # of iterations = 18.2 total cpu time spent up to now is 466.1 secs End of band structure calculation k = 0.5000-0.0695-0.0555 ( 13172 PWs) bands (ev): -77.7722 -77.7722 -77.7722 -77.7722 -46.6197 -46.6197 -46.6196 -46.6196 -42.3133 -42.3133 -42.3131 -42.3131 -41.9674 -41.9674 -41.9673 -41.9673 -6.5272 -6.5272 -6.3945 -6.3945 -6.1329 -6.1329 -6.0068 -6.0068 -4.6975 -4.6975 -4.3563 -4.3563 1.2041 1.2041 1.3353 1.3353 1.8399 1.8399 1.8651 1.8651 1.9959 1.9959 2.0236 2.0236 2.2919 2.2919 2.4133 2.4133 3.0425 3.0425 3.1866 3.1866 3.4927 3.4927 3.7536 3.7536 3.9610 3.9610 4.1055 4.1055 4.2918 4.2918 4.3410 4.3410 4.5003 4.5003 4.7361 4.7361 4.9275 4.9275 5.2169 5.2169 5.3900 5.3900 5.4868 5.4868 5.9341 5.9341 6.0705 6.0705 6.9023 6.9023 7.0844 7.0844 7.6904 7.6904 7.9998 7.9998 11.3345 11.3345 11.6411 11.6411 12.3428 12.3428 12.6660 12.6660 k = 0.4865-0.0676-0.0540 ( 13172 PWs) bands (ev): -77.7722 -77.7722 -77.7722 -77.7722 -46.6197 -46.6197 -46.6196 -46.6196 -42.3133 -42.3133 -42.3130 -42.3130 -41.9674 -41.9674 -41.9673 -41.9673 -6.5302 -6.5302 -6.3930 -6.3930 -6.1328 -6.1328 -6.0068 -6.0068 -4.6982 -4.6982 -4.3554 -4.3554 1.2047 1.2047 1.3362 1.3362 1.8387 1.8387 1.8667 1.8667 1.9944 1.9944 2.0255 2.0255 2.2760 2.2760 2.4320 2.4320 3.0412 3.0412 3.1888 3.1888 3.4907 3.4907 3.7549 3.7549 3.9606 3.9606 4.1063 4.1063 4.2875 4.2875 4.3456 4.3456 4.5011 4.5011 4.7379 4.7379 4.9269 4.9269 5.2156 5.2156 5.3876 5.3876 5.4890 5.4890 5.9327 5.9327 6.0696 6.0696 6.9025 6.9025 7.0888 7.0888 7.6914 7.6914 8.0032 8.0032 11.3334 11.3334 11.6406 11.6406 12.3457 12.3457 12.6667 12.6667 k = 0.4730-0.0657-0.0525 ( 13166 PWs) bands (ev): -77.7722 -77.7722 -77.7722 -77.7722 -46.6197 -46.6197 -46.6196 -46.6196 -42.3133 -42.3133 -42.3130 -42.3130 -41.9674 -41.9674 -41.9673 -41.9673 -6.5389 -6.5389 -6.3889 -6.3889 -6.1324 -6.1324 -6.0070 -6.0070 -4.7001 -4.7001 -4.3527 -4.3527 1.2068 1.2068 1.3390 1.3390 1.8359 1.8359 1.8705 1.8705 1.9902 1.9902 2.0306 2.0306 2.2438 2.2438 2.4725 2.4725 3.0376 3.0376 3.1951 3.1951 3.4850 3.4850 3.7589 3.7589 3.9594 3.9594 4.1086 4.1086 4.2778 4.2778 4.3564 4.3564 4.5033 4.5033 4.7432 4.7432 4.9253 4.9253 5.2118 5.2118 5.3809 5.3809 5.4952 5.4952 5.9286 5.9286 6.0668 6.0668 6.9037 6.9037 7.1015 7.1015 7.6943 7.6943 8.0133 8.0133 11.3301 11.3301 11.6391 11.6391 12.3542 12.3542 12.6688 12.6688 k = 0.4595-0.0638-0.0510 ( 13163 PWs) bands (ev): -77.7722 -77.7722 -77.7722 -77.7722 -46.6197 -46.6197 -46.6196 -46.6196 -42.3134 -42.3134 -42.3130 -42.3130 -41.9674 -41.9674 -41.9673 -41.9673 -6.5520 -6.5520 -6.3833 -6.3833 -6.1319 -6.1319 -6.0072 -6.0072 -4.7033 -4.7033 -4.3483 -4.3483 1.2101 1.2101 1.3436 1.3436 1.8326 1.8326 1.8750 1.8750 1.9841 1.9841 2.0375 2.0375 2.2104 2.2104 2.5207 2.5207 3.0324 3.0324 3.2048 3.2048 3.4759 3.4759 3.7652 3.7652 3.9578 3.9578 4.1123 4.1123 4.2663 4.2663 4.3694 4.3694 4.5071 4.5071 4.7513 4.7513 4.9232 4.9232 5.2057 5.2057 5.3707 5.3707 5.5042 5.5042 5.9222 5.9222 6.0618 6.0618 6.9073 6.9073 7.1211 7.1211 7.6992 7.6992 8.0297 8.0297 11.3250 11.3250 11.6365 11.6365 12.3678 12.3678 12.6718 12.6718 k = 0.4459-0.0620-0.0495 ( 13161 PWs) bands (ev): -77.7722 -77.7722 -77.7722 -77.7722 -46.6197 -46.6197 -46.6195 -46.6195 -42.3134 -42.3134 -42.3129 -42.3129 -41.9674 -41.9674 -41.9672 -41.9672 -6.5686 -6.5686 -6.3771 -6.3771 -6.1313 -6.1313 -6.0076 -6.0076 -4.7077 -4.7077 -4.3423 -4.3423 1.2147 1.2147 1.3498 1.3498 1.8293 1.8293 1.8787 1.8787 1.9762 1.9762 2.0453 2.0453 2.1822 2.1822 2.5717 2.5717 3.0266 3.0266 3.2169 3.2169 3.4641 3.4641 3.7734 3.7734 3.9563 3.9563 4.1169 4.1169 4.2546 4.2546 4.3828 4.3828 4.5126 4.5126 4.7611 4.7611 4.9215 4.9215 5.1978 5.1978 5.3580 5.3580 5.5153 5.5153 5.9141 5.9141 6.0543 6.0543 6.9148 6.9148 7.1461 7.1461 7.7059 7.7059 8.0519 8.0519 11.3184 11.3184 11.6328 11.6328 12.3856 12.3856 12.6751 12.6751 k = 0.4324-0.0601-0.0480 ( 13164 PWs) bands (ev): -77.7722 -77.7722 -77.7722 -77.7722 -46.6198 -46.6198 -46.6195 -46.6195 -42.3135 -42.3135 -42.3128 -42.3128 -41.9674 -41.9674 -41.9672 -41.9672 -6.5878 -6.5878 -6.3711 -6.3711 -6.1305 -6.1305 -6.0080 -6.0080 -4.7133 -4.7133 -4.3348 -4.3348 1.2206 1.2206 1.3577 1.3577 1.8257 1.8257 1.8805 1.8805 1.9669 1.9669 2.0527 2.0527 2.1631 2.1631 2.6238 2.6238 3.0208 3.0208 3.2308 3.2308 3.4503 3.4503 3.7831 3.7831 3.9556 3.9556 4.1223 4.1223 4.2433 4.2433 4.3957 4.3957 4.5197 4.5197 4.7712 4.7712 4.9213 4.9213 5.1883 5.1883 5.3436 5.3436 5.5277 5.5277 5.9045 5.9045 6.0442 6.0442 6.9274 6.9274 7.1753 7.1753 7.7145 7.7145 8.0790 8.0790 11.3109 11.3109 11.6280 11.6280 12.4064 12.4064 12.6775 12.6775 k = 0.4189-0.0582-0.0465 ( 13160 PWs) bands (ev): -77.7722 -77.7722 -77.7722 -77.7722 -46.6198 -46.6198 -46.6195 -46.6195 -42.3135 -42.3135 -42.3128 -42.3128 -41.9674 -41.9674 -41.9672 -41.9672 -6.6088 -6.6088 -6.3658 -6.3658 -6.1297 -6.1297 -6.0085 -6.0085 -4.7198 -4.7198 -4.3258 -4.3258 1.2276 1.2276 1.3670 1.3670 1.8205 1.8205 1.8790 1.8790 1.9583 1.9583 2.0583 2.0583 2.1554 2.1554 2.6755 2.6755 3.0161 3.0161 3.2454 3.2454 3.4355 3.4355 3.7940 3.7940 3.9561 3.9561 4.1282 4.1282 4.2327 4.2327 4.4073 4.4073 4.5284 4.5284 4.7794 4.7794 4.9245 4.9245 5.1779 5.1779 5.3283 5.3283 5.5408 5.5408 5.8939 5.8939 6.0316 6.0316 6.9457 6.9457 7.2077 7.2077 7.7249 7.7249 8.1104 8.1104 11.3027 11.3027 11.6219 11.6219 12.4287 12.4287 12.6772 12.6772 k = 0.4054-0.0563-0.0450 ( 13166 PWs) bands (ev): -77.7722 -77.7722 -77.7722 -77.7722 -46.6198 -46.6198 -46.6195 -46.6195 -42.3136 -42.3136 -42.3127 -42.3127 -41.9674 -41.9674 -41.9672 -41.9672 -6.6313 -6.6313 -6.3615 -6.3615 -6.1289 -6.1289 -6.0091 -6.0091 -4.7272 -4.7272 -4.3157 -4.3157 1.2356 1.2356 1.3776 1.3776 1.8112 1.8112 1.8746 1.8746 1.9533 1.9533 2.0619 2.0619 2.1593 2.1593 2.7257 2.7257 3.0130 3.0130 3.2601 3.2601 3.4209 3.4209 3.8058 3.8058 3.9582 3.9582 4.1343 4.1343 4.2229 4.2229 4.4171 4.4171 4.5385 4.5385 4.7843 4.7843 4.9321 4.9321 5.1669 5.1669 5.3128 5.3128 5.5545 5.5545 5.8827 5.8827 6.0170 6.0170 6.9698 6.9698 7.2426 7.2426 7.7368 7.7368 8.1450 8.1450 11.2944 11.2944 11.6146 11.6146 12.4506 12.4506 12.6717 12.6717 k = 0.3919-0.0544-0.0435 ( 13168 PWs) bands (ev): -77.7722 -77.7722 -77.7722 -77.7722 -46.6198 -46.6198 -46.6194 -46.6194 -42.3136 -42.3136 -42.3127 -42.3127 -41.9674 -41.9674 -41.9672 -41.9672 -6.6548 -6.6548 -6.3582 -6.3582 -6.1282 -6.1282 -6.0097 -6.0097 -4.7354 -4.7354 -4.3045 -4.3045 1.2445 1.2445 1.3894 1.3894 1.7948 1.7948 1.8705 1.8705 1.9532 1.9532 2.0642 2.0642 2.1723 2.1723 2.7729 2.7729 3.0128 3.0128 3.2736 3.2736 3.4083 3.4083 3.8183 3.8183 3.9621 3.9621 4.1408 4.1408 4.2139 4.2139 4.4248 4.4248 4.5496 4.5496 4.7855 4.7855 4.9440 4.9440 5.1557 5.1557 5.2984 5.2984 5.5683 5.5683 5.8711 5.8711 6.0011 6.0011 6.9998 6.9998 7.2794 7.2794 7.7501 7.7501 8.1819 8.1819 11.2861 11.2861 11.6060 11.6060 12.4695 12.4695 12.6580 12.6580 k = 0.3784-0.0526-0.0420 ( 13159 PWs) bands (ev): -77.7722 -77.7722 -77.7722 -77.7722 -46.6198 -46.6198 -46.6194 -46.6194 -42.3137 -42.3137 -42.3126 -42.3126 -41.9674 -41.9674 -41.9672 -41.9672 -6.6791 -6.6791 -6.3560 -6.3560 -6.1277 -6.1277 -6.0104 -6.0104 -4.7444 -4.7444 -4.2923 -4.2923 1.2542 1.2542 1.4023 1.4023 1.7710 1.7710 1.8698 1.8698 1.9569 1.9569 2.0664 2.0664 2.1917 2.1917 2.8151 2.8151 3.0165 3.0165 3.2845 3.2845 3.3999 3.3999 3.8313 3.8313 3.9679 3.9679 4.1473 4.1473 4.2059 4.2059 4.4300 4.4300 4.5611 4.5611 4.7840 4.7840 4.9588 4.9588 5.1448 5.1448 5.2865 5.2865 5.5821 5.5821 5.8592 5.8592 5.9848 5.9848 7.0351 7.0351 7.3177 7.3177 7.7646 7.7646 8.2204 8.2204 11.2778 11.2778 11.5962 11.5962 12.4821 12.4821 12.6348 12.6348 k = 0.3649-0.0507-0.0405 ( 13148 PWs) bands (ev): -77.7722 -77.7722 -77.7722 -77.7722 -46.6199 -46.6199 -46.6194 -46.6194 -42.3137 -42.3137 -42.3125 -42.3125 -41.9674 -41.9674 -41.9672 -41.9672 -6.7040 -6.7040 -6.3550 -6.3550 -6.1274 -6.1274 -6.0112 -6.0112 -4.7539 -4.7539 -4.2793 -4.2793 1.2643 1.2643 1.4160 1.4160 1.7424 1.7424 1.8725 1.8725 1.9632 1.9632 2.0692 2.0692 2.2156 2.2156 2.8502 2.8502 3.0255 3.0255 3.2910 3.2910 3.3983 3.3983 3.8447 3.8447 3.9755 3.9755 4.1539 4.1539 4.1992 4.1992 4.4322 4.4322 4.5719 4.5719 4.7815 4.7815 4.9739 4.9739 5.1344 5.1344 5.2790 5.2790 5.5954 5.5954 5.8473 5.8473 5.9689 5.9689 7.0752 7.0752 7.3572 7.3572 7.7799 7.7799 8.2594 8.2594 11.2694 11.2694 11.5849 11.5849 12.4831 12.4831 12.6045 12.6045 k = 0.3514-0.0488-0.0390 ( 13150 PWs) bands (ev): -77.7723 -77.7723 -77.7722 -77.7722 -46.6199 -46.6199 -46.6194 -46.6194 -42.3138 -42.3138 -42.3125 -42.3125 -41.9674 -41.9674 -41.9671 -41.9671 -6.7293 -6.7293 -6.3549 -6.3549 -6.1273 -6.1273 -6.0120 -6.0120 -4.7640 -4.7640 -4.2657 -4.2657 1.2746 1.2746 1.4306 1.4306 1.7116 1.7116 1.8776 1.8776 1.9711 1.9711 2.0727 2.0727 2.2427 2.2427 2.8766 2.8766 3.0400 3.0400 3.2936 3.2936 3.4048 3.4048 3.8584 3.8584 3.9847 3.9847 4.1598 4.1598 4.1945 4.1945 4.4313 4.4313 4.5810 4.5810 4.7797 4.7797 4.9866 4.9866 5.1254 5.1254 5.2777 5.2777 5.6078 5.6078 5.8360 5.8360 5.9541 5.9541 7.1195 7.1195 7.3974 7.3974 7.7959 7.7959 8.2982 8.2982 11.2605 11.2605 11.5720 11.5720 12.4649 12.4649 12.5742 12.5742 k = 0.3378-0.0469-0.0375 ( 13145 PWs) bands (ev): -77.7723 -77.7723 -77.7722 -77.7722 -46.6199 -46.6199 -46.6193 -46.6193 -42.3138 -42.3138 -42.3124 -42.3124 -41.9674 -41.9674 -41.9671 -41.9671 -6.7548 -6.7548 -6.3558 -6.3558 -6.1276 -6.1276 -6.0130 -6.0130 -4.7744 -4.7744 -4.2517 -4.2517 1.2848 1.2848 1.4458 1.4458 1.6807 1.6807 1.8845 1.8845 1.9799 1.9799 2.0771 2.0771 2.2723 2.2723 2.8946 2.8946 3.0578 3.0578 3.2952 3.2952 3.4182 3.4182 3.8723 3.8723 3.9952 3.9952 4.1637 4.1637 4.1932 4.1932 4.4273 4.4273 4.5874 4.5874 4.7799 4.7799 4.9949 4.9949 5.1186 5.1186 5.2842 5.2842 5.6189 5.6189 5.8257 5.8257 5.9412 5.9412 7.1674 7.1674 7.4380 7.4380 7.8121 7.8121 8.3361 8.3361 11.2505 11.2505 11.5573 11.5573 12.4234 12.4234 12.5481 12.5481 k = 0.3243-0.0451-0.0360 ( 13149 PWs) bands (ev): -77.7723 -77.7723 -77.7722 -77.7722 -46.6199 -46.6199 -46.6193 -46.6193 -42.3139 -42.3139 -42.3124 -42.3124 -41.9674 -41.9674 -41.9671 -41.9671 -6.7802 -6.7802 -6.3576 -6.3576 -6.1283 -6.1283 -6.0140 -6.0140 -4.7852 -4.7852 -4.2372 -4.2372 1.2944 1.2944 1.4614 1.4614 1.6508 1.6508 1.8927 1.8927 1.9894 1.9894 2.0826 2.0826 2.3038 2.3038 2.9065 2.9065 3.0747 3.0747 3.3001 3.3001 3.4364 3.4364 3.8861 3.8861 4.0065 4.0065 4.1642 4.1642 4.1970 4.1970 4.4204 4.4204 4.5903 4.5903 4.7824 4.7824 4.9977 4.9977 5.1155 5.1155 5.2988 5.2988 5.6281 5.6281 5.8173 5.8173 5.9306 5.9306 7.2182 7.2182 7.4787 7.4787 7.8283 7.8283 8.3724 8.3724 11.2386 11.2386 11.5404 11.5404 12.3646 12.3646 12.5217 12.5217 k = 0.3108-0.0432-0.0345 ( 13147 PWs) bands (ev): -77.7723 -77.7723 -77.7722 -77.7722 -46.6199 -46.6199 -46.6193 -46.6193 -42.3139 -42.3139 -42.3123 -42.3123 -41.9674 -41.9674 -41.9671 -41.9671 -6.8056 -6.8056 -6.3600 -6.3600 -6.1293 -6.1293 -6.0151 -6.0151 -4.7963 -4.7963 -4.2226 -4.2226 1.3029 1.3029 1.4770 1.4770 1.6233 1.6233 1.9019 1.9019 1.9990 1.9990 2.0892 2.0892 2.3367 2.3367 2.9148 2.9148 3.0867 3.0867 3.3110 3.3110 3.4580 3.4580 3.8994 3.8994 4.0183 4.0183 4.1622 4.1622 4.2049 4.2049 4.4112 4.4112 4.5896 4.5896 4.7867 4.7867 4.9957 4.9957 5.1171 5.1171 5.3206 5.3206 5.6345 5.6345 5.8118 5.8118 5.9226 5.9226 7.2714 7.2714 7.5193 7.5193 7.8440 7.8440 8.4064 8.4064 11.2236 11.2236 11.5209 11.5209 12.2960 12.2960 12.4898 12.4898 k = 0.2973-0.0413-0.0330 ( 13152 PWs) bands (ev): -77.7723 -77.7723 -77.7722 -77.7722 -46.6199 -46.6199 -46.6193 -46.6193 -42.3140 -42.3140 -42.3123 -42.3123 -41.9674 -41.9674 -41.9671 -41.9671 -6.8307 -6.8307 -6.3631 -6.3631 -6.1305 -6.1305 -6.0164 -6.0164 -4.8075 -4.8075 -4.2078 -4.2078 1.3098 1.3098 1.4916 1.4916 1.6000 1.6000 1.9117 1.9117 2.0086 2.0086 2.0971 2.0971 2.3704 2.3704 2.9214 2.9214 3.0928 3.0928 3.3284 3.3284 3.4821 3.4821 3.9121 3.9121 4.0298 4.0298 4.1593 4.1593 4.2152 4.2152 4.4010 4.4010 4.5856 4.5856 4.7911 4.7911 4.9910 4.9910 5.1238 5.1238 5.3480 5.3480 5.6379 5.6379 5.8099 5.8099 5.9178 5.9178 7.3261 7.3261 7.5595 7.5595 7.8588 7.8588 8.4376 8.4376 11.2043 11.2043 11.4982 11.4982 12.2219 12.2219 12.4511 12.4511 k = 0.2838-0.0394-0.0315 ( 13148 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6200 -46.6200 -46.6192 -46.6192 -42.3140 -42.3140 -42.3122 -42.3122 -41.9674 -41.9674 -41.9670 -41.9670 -6.8555 -6.8555 -6.3668 -6.3668 -6.1321 -6.1321 -6.0178 -6.0178 -4.8189 -4.8189 -4.1931 -4.1931 1.3141 1.3141 1.5031 1.5031 1.5838 1.5838 1.9219 1.9219 2.0178 2.0178 2.1063 2.1063 2.4042 2.4042 2.9274 2.9274 3.0941 3.0941 3.3504 3.3504 3.5083 3.5083 3.9235 3.9235 4.0405 4.0405 4.1565 4.1565 4.2265 4.2265 4.3911 4.3911 4.5791 4.5791 4.7938 4.7938 4.9866 4.9866 5.1355 5.1355 5.3792 5.3792 5.6383 5.6383 5.8115 5.8115 5.9164 5.9164 7.3819 7.3819 7.5991 7.5991 7.8725 7.8725 8.4657 8.4657 11.1791 11.1791 11.4717 11.4717 12.1451 12.1451 12.4068 12.4068 k = 0.2703-0.0376-0.0300 ( 13139 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6200 -46.6200 -46.6192 -46.6192 -42.3140 -42.3140 -42.3122 -42.3122 -41.9674 -41.9674 -41.9670 -41.9670 -6.8798 -6.8798 -6.3709 -6.3709 -6.1340 -6.1340 -6.0194 -6.0194 -4.8302 -4.8302 -4.1786 -4.1786 1.3152 1.3152 1.5077 1.5077 1.5793 1.5793 1.9322 1.9322 2.0267 2.0267 2.1169 2.1169 2.4376 2.4376 2.9335 2.9335 3.0932 3.0932 3.3742 3.3742 3.5363 3.5363 3.9335 3.9335 4.0494 4.0494 4.1542 4.1542 4.2374 4.2374 4.3838 4.3838 4.5711 4.5711 4.7931 4.7931 4.9845 4.9845 5.1516 5.1516 5.4127 5.4127 5.6366 5.6366 5.8163 5.8163 5.9192 5.9192 7.4379 7.4379 7.6377 7.6377 7.8846 7.8846 8.4903 8.4903 11.1470 11.1470 11.4409 11.4409 12.0675 12.0675 12.3585 12.3585 k = 0.2568-0.0357-0.0285 ( 13142 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6200 -46.6200 -46.6192 -46.6192 -42.3141 -42.3141 -42.3121 -42.3121 -41.9673 -41.9673 -41.9670 -41.9670 -6.9034 -6.9034 -6.3753 -6.3753 -6.1361 -6.1361 -6.0212 -6.0212 -4.8416 -4.8416 -4.1642 -4.1642 1.3124 1.3124 1.5050 1.5050 1.5873 1.5873 1.9422 1.9422 2.0354 2.0354 2.1288 2.1288 2.4698 2.4698 2.9397 2.9397 3.0925 3.0925 3.3977 3.3977 3.5657 3.5657 3.9417 3.9417 4.0560 4.0560 4.1525 4.1525 4.2462 4.2462 4.3814 4.3814 4.5629 4.5629 4.7884 4.7884 4.9859 4.9859 5.1712 5.1712 5.4471 5.4471 5.6343 5.6343 5.8231 5.8231 5.9265 5.9265 7.4934 7.4934 7.6754 7.6754 7.8948 7.8948 8.5111 8.5111 11.1069 11.1069 11.4053 11.4053 11.9901 11.9901 12.3082 12.3082 k = 0.2432-0.0338-0.0270 ( 13139 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6200 -46.6200 -46.6192 -46.6192 -42.3141 -42.3141 -42.3121 -42.3121 -41.9673 -41.9673 -41.9670 -41.9670 -6.9264 -6.9264 -6.3799 -6.3799 -6.1384 -6.1384 -6.0230 -6.0230 -4.8528 -4.8528 -4.1502 -4.1502 1.3054 1.3054 1.5000 1.5000 1.6032 1.6032 1.9516 1.9516 2.0442 2.0442 2.1417 2.1417 2.4999 2.4999 2.9460 2.9460 3.0942 3.0942 3.4193 3.4193 3.5959 3.5959 3.9480 3.9480 4.0598 4.0598 4.1515 4.1515 4.2512 4.2512 4.3859 4.3859 4.5554 4.5554 4.7801 4.7801 4.9907 4.9907 5.1935 5.1935 5.4806 5.4806 5.6333 5.6333 5.8313 5.8313 5.9386 5.9386 7.5473 7.5473 7.7119 7.7119 7.9030 7.9030 8.5283 8.5283 11.0585 11.0585 11.3645 11.3645 11.9134 11.9134 12.2574 12.2574 k = 0.2297-0.0319-0.0255 ( 13144 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6200 -46.6200 -46.6192 -46.6192 -42.3142 -42.3142 -42.3120 -42.3120 -41.9673 -41.9673 -41.9670 -41.9670 -6.9487 -6.9487 -6.3848 -6.3848 -6.1408 -6.1408 -6.0250 -6.0250 -4.8638 -4.8638 -4.1367 -4.1367 1.2947 1.2947 1.4963 1.4963 1.6228 1.6228 1.9602 1.9602 2.0534 2.0534 2.1555 2.1555 2.5272 2.5272 2.9517 2.9517 3.1003 3.1003 3.4383 3.4383 3.6264 3.6264 3.9522 3.9522 4.0606 4.0606 4.1513 4.1513 4.2523 4.2523 4.3973 4.3973 4.5497 4.5497 4.7695 4.7695 4.9982 4.9982 5.2167 5.2167 5.5115 5.5115 5.6362 5.6362 5.8404 5.8404 5.9555 5.9555 7.5985 7.5985 7.7471 7.7471 7.9094 7.9094 8.5417 8.5417 11.0025 11.0025 11.3184 11.3184 11.8374 11.8374 12.2073 12.2073 k = 0.2162-0.0300-0.0240 ( 13143 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6200 -46.6200 -46.6191 -46.6191 -42.3142 -42.3142 -42.3120 -42.3120 -41.9673 -41.9673 -41.9669 -41.9669 -6.9700 -6.9700 -6.3897 -6.3897 -6.1433 -6.1433 -6.0271 -6.0271 -4.8745 -4.8745 -4.1236 -4.1236 1.2810 1.2810 1.4946 1.4946 1.6444 1.6444 1.9677 1.9677 2.0633 2.0633 2.1698 2.1698 2.5513 2.5513 2.9563 2.9563 3.1121 3.1121 3.4538 3.4538 3.6565 3.6565 3.9548 3.9548 4.0589 4.0589 4.1518 4.1518 4.2507 4.2507 4.4134 4.4134 4.5468 4.5468 4.7577 4.7577 5.0075 5.0075 5.2394 5.2394 5.5376 5.5376 5.6461 5.6461 5.8506 5.8506 5.9766 5.9766 7.6456 7.6456 7.7809 7.7809 7.9145 7.9145 8.5516 8.5516 10.9399 10.9399 11.2672 11.2672 11.7616 11.7616 12.1591 12.1591 k = 0.2027-0.0282-0.0225 ( 13135 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6200 -46.6200 -46.6191 -46.6191 -42.3142 -42.3142 -42.3119 -42.3119 -41.9673 -41.9673 -41.9669 -41.9669 -6.9905 -6.9905 -6.3947 -6.3947 -6.1458 -6.1458 -6.0294 -6.0294 -4.8849 -4.8849 -4.1111 -4.1111 1.2653 1.2653 1.4946 1.4946 1.6671 1.6671 1.9740 1.9740 2.0741 2.0741 2.1845 2.1845 2.5716 2.5716 2.9590 2.9590 3.1305 3.1305 3.4655 3.4655 3.6855 3.6855 3.9560 3.9560 4.0553 4.0553 4.1532 4.1532 4.2479 4.2479 4.4312 4.4312 4.5477 4.5477 4.7464 4.7464 5.0180 5.0180 5.2595 5.2595 5.5575 5.5575 5.6654 5.6654 5.8619 5.8619 6.0015 6.0015 7.6868 7.6868 7.8118 7.8118 7.9202 7.9202 8.5583 8.5583 10.8726 10.8726 11.2111 11.2111 11.6856 11.6856 12.1132 12.1132 k = 0.1892-0.0263-0.0210 ( 13129 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6200 -46.6200 -46.6191 -46.6191 -42.3142 -42.3142 -42.3119 -42.3119 -41.9673 -41.9673 -41.9669 -41.9669 -7.0099 -7.0099 -6.3997 -6.3997 -6.1484 -6.1484 -6.0316 -6.0316 -4.8950 -4.8950 -4.0992 -4.0992 1.2486 1.2486 1.4959 1.4959 1.6903 1.6903 1.9793 1.9793 2.0859 2.0859 2.1993 2.1993 2.5881 2.5881 2.9600 2.9600 3.1550 3.1550 3.4732 3.4732 3.7127 3.7127 3.9565 3.9565 4.0502 4.0502 4.1556 4.1556 4.2454 4.2454 4.4476 4.4476 4.5529 4.5529 4.7365 4.7365 5.0292 5.0292 5.2754 5.2754 5.5730 5.5730 5.6933 5.6933 5.8745 5.8745 6.0294 6.0294 7.7207 7.7207 7.8363 7.8363 7.9310 7.9310 8.5622 8.5622 10.8026 10.8026 11.1510 11.1510 11.6092 11.6092 12.0702 12.0702 k = 0.1757-0.0244-0.0195 ( 13127 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6191 -46.6191 -42.3143 -42.3143 -42.3119 -42.3119 -41.9673 -41.9673 -41.9669 -41.9669 -7.0283 -7.0283 -6.4045 -6.4045 -6.1510 -6.1510 -6.0340 -6.0340 -4.9046 -4.9046 -4.0880 -4.0880 1.2315 1.2315 1.4978 1.4978 1.7137 1.7137 1.9835 1.9835 2.0985 2.0985 2.2140 2.2140 2.6012 2.6012 2.9592 2.9592 3.1847 3.1847 3.4771 3.4771 3.7376 3.7376 3.9571 3.9571 4.0443 4.0443 4.1585 4.1585 4.2442 4.2442 4.4606 4.4606 4.5617 4.5617 4.7296 4.7296 5.0407 5.0407 5.2859 5.2859 5.5873 5.5873 5.7271 5.7271 5.8884 5.8884 6.0595 6.0595 7.7459 7.7459 7.8499 7.8499 7.9518 7.9518 8.5638 8.5638 10.7320 10.7320 11.0879 11.0879 11.5326 11.5326 12.0304 12.0304 k = 0.1622-0.0225-0.0180 ( 13124 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6191 -46.6191 -42.3143 -42.3143 -42.3118 -42.3118 -41.9673 -41.9673 -41.9669 -41.9669 -7.0455 -7.0455 -6.4093 -6.4093 -6.1535 -6.1535 -6.0363 -6.0363 -4.9137 -4.9137 -4.0776 -4.0776 1.2147 1.2147 1.5000 1.5000 1.7367 1.7367 1.9870 1.9870 2.1120 2.1120 2.2286 2.2286 2.6114 2.6114 2.9568 2.9568 3.2177 3.2177 3.4778 3.4778 3.7599 3.7599 3.9584 3.9584 4.0379 4.0379 4.1616 4.1616 4.2454 4.2454 4.4701 4.4701 4.5718 4.5718 4.7270 4.7270 5.0521 5.0521 5.2906 5.2906 5.6028 5.6028 5.7645 5.7645 5.9038 5.9038 6.0912 6.0912 7.7616 7.7616 7.8535 7.8535 7.9820 7.9820 8.5637 8.5637 10.6624 10.6624 11.0231 11.0231 11.4560 11.4560 11.9943 11.9943 k = 0.1486-0.0207-0.0165 ( 13123 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6191 -46.6191 -42.3143 -42.3143 -42.3118 -42.3118 -41.9673 -41.9673 -41.9669 -41.9669 -7.0615 -7.0615 -6.4138 -6.4138 -6.1559 -6.1559 -6.0386 -6.0386 -4.9223 -4.9223 -4.0679 -4.0679 1.1985 1.1985 1.5022 1.5022 1.7590 1.7590 1.9899 1.9899 2.1262 2.1262 2.2428 2.2428 2.6192 2.6192 2.9530 2.9530 3.2516 3.2516 3.4769 3.4769 3.7795 3.7795 3.9604 3.9604 4.0314 4.0314 4.1637 4.1637 4.2500 4.2500 4.4771 4.4771 4.5801 4.5801 4.7301 4.7301 5.0632 5.0632 5.2900 5.2900 5.6201 5.6201 5.8035 5.8035 5.9211 5.9211 6.1234 6.1234 7.7672 7.7672 7.8524 7.8524 8.0168 8.0168 8.5625 8.5625 10.5955 10.5955 10.9580 10.9580 11.3802 11.3802 11.9619 11.9619 k = 0.1351-0.0188-0.0150 ( 13119 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3143 -42.3143 -42.3118 -42.3118 -41.9673 -41.9673 -41.9669 -41.9669 -7.0764 -7.0764 -6.4181 -6.4181 -6.1581 -6.1581 -6.0408 -6.0408 -4.9303 -4.9303 -4.0589 -4.0589 1.1831 1.1831 1.5043 1.5043 1.7801 1.7801 1.9926 1.9926 2.1411 2.1411 2.2564 2.2564 2.6252 2.6252 2.9477 2.9477 3.2830 3.2830 3.4772 3.4772 3.7967 3.7967 3.9630 3.9630 4.0253 4.0253 4.1641 4.1641 4.2583 4.2583 4.4827 4.4827 4.5845 4.5845 4.7390 4.7390 5.0733 5.0733 5.2851 5.2851 5.6393 5.6393 5.8416 5.8416 5.9414 5.9414 6.1554 6.1554 7.7636 7.7636 7.8498 7.8498 8.0523 8.0523 8.5608 8.5608 10.5325 10.5325 10.8941 10.8941 11.3058 11.3058 11.9334 11.9334 k = 0.1216-0.0169-0.0135 ( 13113 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3117 -42.3117 -41.9673 -41.9673 -41.9668 -41.9668 -7.0899 -7.0899 -6.4221 -6.4221 -6.1603 -6.1603 -6.0430 -6.0430 -4.9377 -4.9377 -4.0508 -4.0508 1.1689 1.1689 1.5062 1.5062 1.7996 1.7996 1.9950 1.9950 2.1567 2.1567 2.2692 2.2692 2.6302 2.6302 2.9407 2.9407 3.3075 3.3075 3.4829 3.4829 3.8119 3.8119 3.9651 3.9651 4.0205 4.0205 4.1625 4.1625 4.2697 4.2697 4.4874 4.4874 4.5856 4.5856 4.7522 4.7522 5.0822 5.0822 5.2771 5.2771 5.6598 5.6598 5.8756 5.8756 5.9667 5.9667 6.1862 6.1862 7.7529 7.7529 7.8456 7.8456 8.0864 8.0864 8.5591 8.5591 10.4744 10.4744 10.8330 10.8330 11.2336 11.2336 11.9088 11.9088 k = 0.1081-0.0150-0.0120 ( 13118 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3117 -42.3117 -41.9673 -41.9673 -41.9668 -41.9668 -7.1021 -7.1021 -6.4257 -6.4257 -6.1622 -6.1622 -6.0450 -6.0450 -4.9444 -4.9444 -4.0435 -4.0435 1.1559 1.1559 1.5079 1.5079 1.8172 1.8172 1.9974 1.9974 2.1727 2.1727 2.2811 2.2811 2.6346 2.6346 2.9321 2.9321 3.3213 3.3213 3.4978 3.4978 3.8254 3.8254 3.9657 3.9657 4.0180 4.0180 4.1590 4.1590 4.2830 4.2830 4.4910 4.4910 4.5859 4.5859 4.7673 4.7673 5.0891 5.0891 5.2673 5.2673 5.6813 5.6813 5.9025 5.9025 5.9987 5.9987 6.2150 6.2150 7.7383 7.7383 7.8391 7.8391 8.1181 8.1181 8.5578 8.5578 10.4217 10.4217 10.7760 10.7760 11.1645 11.1645 11.8880 11.8880 k = 0.0946-0.0131-0.0105 ( 13112 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3117 -42.3117 -41.9673 -41.9673 -41.9668 -41.9668 -7.1129 -7.1129 -6.4291 -6.4291 -6.1640 -6.1640 -6.0468 -6.0468 -4.9504 -4.9504 -4.0371 -4.0371 1.1442 1.1442 1.5093 1.5093 1.8326 1.8326 1.9997 1.9997 2.1891 2.1891 2.2917 2.2917 2.6389 2.6389 2.9219 2.9219 3.3243 3.3243 3.5218 3.5218 3.8378 3.8378 3.9640 3.9640 4.0185 4.0185 4.1538 4.1538 4.2968 4.2968 4.4920 4.4920 4.5887 4.5887 4.7823 4.7823 5.0936 5.0936 5.2571 5.2571 5.7029 5.7029 5.9225 5.9225 6.0361 6.0361 6.2408 6.2408 7.7223 7.7223 7.8293 7.8293 8.1465 8.1465 8.5572 8.5572 10.3750 10.3750 10.7245 10.7245 11.0993 11.0993 11.8712 11.8712 k = 0.0811-0.0113-0.0090 ( 13117 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3117 -42.3117 -41.9673 -41.9673 -41.9668 -41.9668 -7.1224 -7.1224 -6.4320 -6.4320 -6.1656 -6.1656 -6.0485 -6.0485 -4.9556 -4.9556 -4.0315 -4.0315 1.1339 1.1339 1.5104 1.5104 1.8456 1.8456 2.0021 2.0021 2.2055 2.2055 2.3008 2.3008 2.6435 2.6435 2.9100 2.9100 3.3200 3.3200 3.5511 3.5511 3.8496 3.8496 3.9601 3.9601 4.0219 4.0219 4.1469 4.1469 4.3100 4.3100 4.4888 4.4888 4.5969 4.5969 4.7953 4.7953 5.0952 5.0952 5.2479 5.2479 5.7240 5.7240 5.9375 5.9375 6.0758 6.0758 6.2629 6.2629 7.7069 7.7069 7.8164 7.8164 8.1713 8.1713 8.5574 8.5574 10.3344 10.3344 10.6795 10.6795 11.0391 11.0391 11.8582 11.8582 k = 0.0676-0.0094-0.0075 ( 13125 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.1305 -7.1305 -6.4345 -6.4345 -6.1670 -6.1670 -6.0500 -6.0500 -4.9601 -4.9601 -4.0267 -4.0267 1.1251 1.1251 1.5113 1.5113 1.8562 1.8562 2.0044 2.0044 2.2215 2.2215 2.3082 2.3082 2.6486 2.6486 2.8970 2.8970 3.3126 3.3126 3.5813 3.5813 3.8610 3.8610 3.9547 3.9547 4.0276 4.0276 4.1385 4.1385 4.3223 4.3223 4.4811 4.4811 4.6113 4.6113 4.8051 4.8051 5.0939 5.0939 5.2404 5.2404 5.7436 5.7436 5.9491 5.9491 6.1150 6.1150 6.2807 6.2807 7.6937 7.6937 7.8008 7.8008 8.1923 8.1923 8.5583 8.5583 10.3000 10.3000 10.6417 10.6417 10.9849 10.9849 11.8491 11.8491 k = 0.0541-0.0075-0.0060 ( 13121 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.1371 -7.1371 -6.4366 -6.4366 -6.1681 -6.1681 -6.0512 -6.0512 -4.9638 -4.9638 -4.0228 -4.0228 1.1179 1.1179 1.5120 1.5120 1.8646 1.8646 2.0064 2.0064 2.2367 2.2367 2.3137 2.3137 2.6543 2.6543 2.8835 2.8835 3.3044 3.3044 3.6093 3.6093 3.8723 3.8723 3.9485 3.9485 4.0349 4.0349 4.1286 4.1286 4.3333 4.3333 4.4703 4.4703 4.6302 4.6302 4.8110 4.8110 5.0901 5.0901 5.2353 5.2353 5.7610 5.7610 5.9582 5.9582 6.1516 6.1516 6.2937 6.2937 7.6837 7.6837 7.7835 7.7835 8.2095 8.2095 8.5596 8.5596 10.2718 10.2718 10.6117 10.6117 10.9377 10.9377 11.8438 11.8438 k = 0.0405-0.0056-0.0045 ( 13126 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.1423 -7.1423 -6.4383 -6.4383 -6.1690 -6.1690 -6.0522 -6.0522 -4.9667 -4.9667 -4.0198 -4.0198 1.1122 1.1122 1.5125 1.5125 1.8709 1.8709 2.0082 2.0082 2.2501 2.2501 2.3172 2.3172 2.6601 2.6601 2.8706 2.8706 3.2971 3.2971 3.6328 3.6328 3.8834 3.8834 3.9418 3.9418 4.0438 4.0438 4.1174 4.1174 4.3432 4.3432 4.4583 4.4583 4.6509 4.6509 4.8129 4.8129 5.0850 5.0850 5.2324 5.2324 5.7754 5.7754 5.9652 5.9652 6.1839 6.1839 6.3017 6.3017 7.6776 7.6776 7.7658 7.7658 8.2228 8.2228 8.5612 8.5612 10.2497 10.2497 10.5892 10.5892 10.8990 10.8990 11.8418 11.8418 k = 0.0270-0.0038-0.0030 ( 13122 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.1460 -7.1460 -6.4395 -6.4395 -6.1696 -6.1696 -6.0529 -6.0529 -4.9688 -4.9688 -4.0176 -4.0176 1.1082 1.1082 1.5128 1.5128 1.8752 1.8752 2.0096 2.0096 2.2611 2.2611 2.3189 2.3189 2.6655 2.6655 2.8595 2.8595 3.2915 3.2915 3.6504 3.6504 3.8942 3.8942 3.9348 3.9348 4.0540 4.0540 4.1051 4.1051 4.3518 4.3518 4.4470 4.4470 4.6703 4.6703 4.8114 4.8114 5.0800 5.0800 5.2310 5.2310 5.7862 5.7862 5.9701 5.9701 6.2103 6.2103 6.3052 6.3052 7.6753 7.6753 7.7498 7.7498 8.2323 8.2323 8.5625 8.5625 10.2340 10.2340 10.5739 10.5739 10.8700 10.8700 11.8423 11.8423 k = 0.0135-0.0019-0.0015 ( 13118 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.1482 -7.1482 -6.4402 -6.4402 -6.1700 -6.1700 -6.0533 -6.0533 -4.9701 -4.9701 -4.0163 -4.0163 1.1057 1.1057 1.5130 1.5130 1.8777 1.8777 2.0105 2.0105 2.2684 2.2684 2.3194 2.3194 2.6694 2.6694 2.8520 2.8520 3.2880 3.2880 3.6612 3.6612 3.9036 3.9036 3.9279 3.9279 4.0653 4.0653 4.0924 4.0924 4.3581 4.3581 4.4385 4.4385 4.6847 4.6847 4.8084 4.8084 5.0765 5.0765 5.2304 5.2304 5.7928 5.7928 5.9731 5.9731 6.2284 6.2284 6.3053 6.3053 7.6756 7.6756 7.7379 7.7379 8.2379 8.2379 8.5635 8.5635 10.2244 10.2244 10.5652 10.5652 10.8520 10.8520 11.8438 11.8438 k = 0.0000 0.0000 0.0000 ( 13115 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.1489 -7.1489 -6.4404 -6.4404 -6.1701 -6.1701 -6.0535 -6.0535 -4.9705 -4.9705 -4.0159 -4.0159 1.1049 1.1049 1.5131 1.5131 1.8785 1.8785 2.0108 2.0108 2.2711 2.2711 2.3194 2.3194 2.6709 2.6709 2.8493 2.8493 3.2868 3.2868 3.6649 3.6649 3.9085 3.9085 3.9239 3.9239 4.0743 4.0743 4.0829 4.0829 4.3605 4.3605 4.4353 4.4353 4.6901 4.6901 4.8069 4.8069 5.0752 5.0752 5.2303 5.2303 5.7951 5.7951 5.9741 5.9741 6.2351 6.2351 6.3048 6.3048 7.6762 7.6762 7.7333 7.7333 8.2398 8.2398 8.5638 8.5638 10.2213 10.2213 10.5624 10.5624 10.8458 10.8458 11.8446 11.8446 k = 0.0000 0.0000 0.0000 ( 13115 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.1489 -7.1489 -6.4404 -6.4404 -6.1701 -6.1701 -6.0535 -6.0535 -4.9705 -4.9705 -4.0159 -4.0159 1.1049 1.1049 1.5131 1.5131 1.8785 1.8785 2.0108 2.0108 2.2711 2.2711 2.3194 2.3194 2.6709 2.6709 2.8493 2.8493 3.2868 3.2868 3.6649 3.6649 3.9085 3.9085 3.9239 3.9239 4.0743 4.0743 4.0829 4.0829 4.3605 4.3605 4.4353 4.4353 4.6901 4.6901 4.8069 4.8069 5.0752 5.0752 5.2303 5.2303 5.7951 5.7951 5.9741 5.9741 6.2351 6.2351 6.3048 6.3048 7.6762 7.6762 7.7333 7.7333 8.2398 8.2398 8.5638 8.5638 10.2213 10.2213 10.5624 10.5624 10.8458 10.8458 11.8446 11.8446 k = 0.0000 0.0130-0.0048 ( 13114 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.1482 -7.1482 -6.4408 -6.4408 -6.1711 -6.1711 -6.0534 -6.0534 -4.9704 -4.9704 -4.0158 -4.0158 1.1069 1.1069 1.5135 1.5135 1.8774 1.8774 2.0106 2.0106 2.2663 2.2663 2.3193 2.3193 2.6705 2.6705 2.8546 2.8546 3.2893 3.2893 3.6625 3.6625 3.8983 3.8983 3.9329 3.9329 4.0684 4.0684 4.0906 4.0906 4.3614 4.3614 4.4365 4.4365 4.6881 4.6881 4.8077 4.8077 5.0757 5.0757 5.2318 5.2318 5.7935 5.7935 5.9726 5.9726 6.2340 6.2340 6.3040 6.3040 7.6734 7.6734 7.7325 7.7325 8.2374 8.2374 8.5637 8.5637 10.2214 10.2214 10.5627 10.5627 10.8524 10.8524 11.8434 11.8434 k = 0.0000 0.0260-0.0096 ( 13120 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.1459 -7.1459 -6.4418 -6.4418 -6.1738 -6.1738 -6.0532 -6.0532 -4.9700 -4.9700 -4.0155 -4.0155 1.1130 1.1130 1.5148 1.5148 1.8742 1.8742 2.0103 2.0103 2.2531 2.2531 2.3184 2.3184 2.6696 2.6696 2.8699 2.8699 3.2966 3.2966 3.6558 3.6558 3.8823 3.8823 3.9449 3.9449 4.0615 4.0615 4.1034 4.1034 4.3640 4.3640 4.4400 4.4400 4.6825 4.6825 4.8097 4.8097 5.0775 5.0775 5.2361 5.2361 5.7888 5.7888 5.9679 5.9679 6.2309 6.2309 6.3015 6.3015 7.6656 7.6656 7.7295 7.7295 8.2304 8.2304 8.5631 8.5631 10.2220 10.2220 10.5641 10.5641 10.8717 10.8717 11.8408 11.8408 k = 0.0000 0.0390-0.0144 ( 13120 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.1421 -7.1421 -6.4435 -6.4435 -6.1784 -6.1784 -6.0529 -6.0529 -4.9694 -4.9694 -4.0149 -4.0149 1.1230 1.1230 1.5168 1.5168 1.8688 1.8688 2.0098 2.0098 2.2337 2.2337 2.3159 2.3159 2.6688 2.6688 2.8932 2.8932 3.3085 3.3085 3.6455 3.6455 3.8648 3.8648 3.9544 3.9544 4.0565 4.0565 4.1183 4.1183 4.3682 4.3682 4.4457 4.4457 4.6748 4.6748 4.8117 4.8117 5.0808 5.0808 5.2429 5.2429 5.7811 5.7811 5.9602 5.9602 6.2257 6.2257 6.2973 6.2973 7.6534 7.6534 7.7236 7.7236 8.2196 8.2196 8.5622 8.5622 10.2232 10.2232 10.5670 10.5670 10.9024 10.9024 11.8380 11.8380 k = 0.0000 0.0520-0.0192 ( 13120 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3117 -42.3117 -41.9673 -41.9673 -41.9668 -41.9668 -7.1369 -7.1369 -6.4458 -6.4458 -6.1847 -6.1847 -6.0526 -6.0526 -4.9685 -4.9685 -4.0142 -4.0142 1.1367 1.1367 1.5197 1.5197 1.8612 1.8612 2.0090 2.0090 2.2101 2.2101 2.3119 2.3119 2.6687 2.6687 2.9224 2.9224 3.3242 3.3242 3.6328 3.6328 3.8460 3.8460 3.9598 3.9598 4.0543 4.0543 4.1351 4.1351 4.3736 4.3736 4.4535 4.4535 4.6669 4.6669 4.8125 4.8125 5.0859 5.0859 5.2520 5.2520 5.7707 5.7707 5.9496 5.9496 6.2184 6.2184 6.2911 6.2911 7.6376 7.6376 7.7139 7.7139 8.2062 8.2062 8.5605 8.5605 10.2254 10.2254 10.5720 10.5720 10.9428 10.9428 11.8367 11.8367 k = 0.0000 0.0651-0.0241 ( 13119 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3117 -42.3117 -41.9673 -41.9673 -41.9668 -41.9668 -7.1302 -7.1302 -6.4488 -6.4488 -6.1925 -6.1925 -6.0523 -6.0523 -4.9673 -4.9673 -4.0133 -4.0133 1.1541 1.1541 1.5232 1.5232 1.8516 1.8516 2.0078 2.0078 2.1843 2.1843 2.3068 2.3068 2.6692 2.6692 2.9556 2.9556 3.3428 3.3428 3.6192 3.6192 3.8254 3.8254 3.9608 3.9608 4.0553 4.0553 4.1530 4.1530 4.3798 4.3798 4.4632 4.4632 4.6603 4.6603 4.8115 4.8115 5.0931 5.0931 5.2630 5.2630 5.7578 5.7578 5.9364 5.9364 6.2093 6.2093 6.2828 6.2828 7.6189 7.6189 7.6999 7.6999 8.1913 8.1913 8.5582 8.5582 10.2290 10.2290 10.5797 10.5797 10.9910 10.9910 11.8378 11.8378 k = 0.0000 0.0781-0.0289 ( 13122 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3143 -42.3143 -42.3117 -42.3117 -41.9672 -41.9672 -41.9668 -41.9668 -7.1221 -7.1221 -6.4526 -6.4526 -6.2018 -6.2018 -6.0520 -6.0520 -4.9658 -4.9658 -4.0123 -4.0123 1.1747 1.1747 1.5273 1.5273 1.8400 1.8400 2.0060 2.0060 2.1580 2.1580 2.3013 2.3013 2.6700 2.6700 2.9913 2.9913 3.3630 3.3630 3.6062 3.6062 3.8023 3.8023 3.9581 3.9581 4.0590 4.0590 4.1715 4.1715 4.3863 4.3863 4.4742 4.4742 4.6564 4.6564 4.8085 4.8085 5.1021 5.1021 5.2755 5.2755 5.7427 5.7427 5.9209 5.9209 6.1982 6.1982 6.2722 6.2722 7.5974 7.5974 7.6815 7.6815 8.1762 8.1762 8.5551 8.5551 10.2344 10.2344 10.5901 10.5901 11.0449 11.0449 11.8421 11.8421 k = 0.0000 0.0911-0.0337 ( 13123 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3143 -42.3143 -42.3118 -42.3118 -41.9672 -41.9672 -41.9668 -41.9668 -7.1125 -7.1125 -6.4570 -6.4570 -6.2124 -6.2124 -6.0519 -6.0519 -4.9639 -4.9639 -4.0113 -4.0113 1.1982 1.1982 1.5319 1.5319 1.8267 1.8267 2.0027 2.0027 2.1332 2.1332 2.2961 2.2961 2.6709 2.6709 3.0286 3.0286 3.3828 3.3828 3.5954 3.5954 3.7763 3.7763 3.9533 3.9533 4.0648 4.0648 4.1895 4.1895 4.3927 4.3927 4.4860 4.4860 4.6566 4.6566 4.8042 4.8042 5.1128 5.1128 5.2892 5.2892 5.7258 5.7258 5.9032 5.9032 6.1853 6.1853 6.2593 6.2593 7.5732 7.5732 7.6593 7.6593 8.1616 8.1616 8.5513 8.5513 10.2419 10.2419 10.6033 10.6033 11.1022 11.1022 11.8504 11.8504 k = 0.0000 0.1041-0.0385 ( 13110 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6200 -46.6200 -46.6190 -46.6190 -42.3143 -42.3143 -42.3118 -42.3118 -41.9672 -41.9672 -41.9668 -41.9668 -7.1016 -7.1016 -6.4621 -6.4621 -6.2241 -6.2241 -6.0519 -6.0519 -4.9617 -4.9617 -4.0102 -4.0102 1.2240 1.2240 1.5368 1.5368 1.8122 1.8122 1.9970 1.9970 2.1122 2.1122 2.2914 2.2914 2.6715 2.6715 3.0665 3.0665 3.3999 3.3999 3.5882 3.5882 3.7478 3.7478 3.9481 3.9481 4.0717 4.0717 4.2066 4.2066 4.3984 4.3984 4.4981 4.4981 4.6612 4.6612 4.7994 4.7994 5.1246 5.1246 5.3039 5.3039 5.7074 5.7074 5.8838 5.8838 6.1706 6.1706 6.2440 6.2440 7.5464 7.5464 7.6343 7.6343 8.1481 8.1481 8.5469 8.5469 10.2520 10.2520 10.6192 10.6192 11.1602 11.1602 11.8637 11.8637 k = 0.0000 0.1171-0.0433 ( 13113 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6200 -46.6200 -46.6191 -46.6191 -42.3142 -42.3142 -42.3118 -42.3118 -41.9672 -41.9672 -41.9668 -41.9668 -7.0894 -7.0894 -6.4680 -6.4680 -6.2367 -6.2367 -6.0520 -6.0520 -4.9592 -4.9592 -4.0092 -4.0092 1.2516 1.2516 1.5418 1.5418 1.7969 1.7969 1.9877 1.9877 2.0972 2.0972 2.2878 2.2878 2.6715 2.6715 3.1044 3.1044 3.4120 3.4120 3.5846 3.5846 3.7179 3.7179 3.9439 3.9439 4.0791 4.0791 4.2219 4.2219 4.4031 4.4031 4.5103 4.5103 4.6700 4.6700 4.7956 4.7956 5.1370 5.1370 5.3195 5.3195 5.6877 5.6877 5.8629 5.8629 6.1540 6.1540 6.2264 6.2264 7.5169 7.5169 7.6077 7.6077 8.1360 8.1360 8.5422 8.5422 10.2649 10.2649 10.6374 10.6374 11.2162 11.2162 11.8834 11.8834 k = 0.0000 0.1301-0.0481 ( 13119 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6200 -46.6200 -46.6191 -46.6191 -42.3142 -42.3142 -42.3119 -42.3119 -41.9672 -41.9672 -41.9668 -41.9668 -7.0760 -7.0760 -6.4748 -6.4748 -6.2501 -6.2501 -6.0522 -6.0522 -4.9563 -4.9563 -4.0082 -4.0082 1.2801 1.2801 1.5468 1.5468 1.7812 1.7812 1.9746 1.9746 2.0892 2.0892 2.2852 2.2852 2.6705 2.6705 3.1419 3.1419 3.4178 3.4178 3.5808 3.5808 3.6907 3.6907 3.9424 3.9424 4.0864 4.0864 4.2352 4.2352 4.4065 4.4065 4.5228 4.5228 4.6816 4.6816 4.7948 4.7948 5.1495 5.1495 5.3358 5.3358 5.6667 5.6667 5.8409 5.8409 6.1356 6.1356 6.2066 6.2066 7.4848 7.4848 7.5807 7.5807 8.1253 8.1253 8.5371 8.5371 10.2807 10.2807 10.6577 10.6577 11.2671 11.2671 11.9109 11.9109 k = 0.0000 0.1431-0.0529 ( 13127 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6200 -46.6200 -46.6191 -46.6191 -42.3141 -42.3141 -42.3120 -42.3120 -41.9672 -41.9672 -41.9668 -41.9668 -7.0613 -7.0613 -6.4824 -6.4824 -6.2639 -6.2639 -6.0525 -6.0525 -4.9531 -4.9531 -4.0073 -4.0073 1.3087 1.3087 1.5515 1.5515 1.7660 1.7660 1.9594 1.9594 2.0880 2.0880 2.2839 2.2839 2.6685 2.6685 3.1784 3.1784 3.4177 3.4177 3.5681 3.5681 3.6736 3.6736 3.9447 3.9447 4.0932 4.0932 4.2465 4.2465 4.4080 4.4080 4.5357 4.5357 4.6942 4.6942 4.7990 4.7990 5.1614 5.1614 5.3526 5.3526 5.6447 5.6447 5.8185 5.8185 6.1152 6.1152 6.1849 6.1849 7.4510 7.4510 7.5539 7.5539 8.1159 8.1159 8.5319 8.5319 10.2996 10.2996 10.6796 10.6796 11.3109 11.3109 11.9467 11.9467 k = 0.0000 0.1561-0.0577 ( 13125 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6199 -46.6199 -46.6191 -46.6191 -42.3140 -42.3140 -42.3120 -42.3120 -41.9672 -41.9672 -41.9669 -41.9669 -7.0456 -7.0456 -6.4911 -6.4911 -6.2779 -6.2779 -6.0530 -6.0530 -4.9497 -4.9497 -4.0065 -4.0065 1.3363 1.3363 1.5554 1.5554 1.7518 1.7518 1.9442 1.9442 2.0923 2.0923 2.2838 2.2838 2.6652 2.6652 3.2130 3.2130 3.4117 3.4117 3.5421 3.5421 3.6702 3.6702 3.9519 3.9519 4.0993 4.0993 4.2562 4.2562 4.4076 4.4076 4.5493 4.5493 4.7063 4.7063 4.8096 4.8096 5.1725 5.1725 5.3699 5.3699 5.6217 5.6217 5.7960 5.7960 6.0928 6.0928 6.1617 6.1617 7.4164 7.4164 7.5278 7.5278 8.1078 8.1078 8.5267 8.5267 10.3216 10.3216 10.7028 10.7028 11.3463 11.3463 11.9892 11.9892 k = 0.0000 0.1691-0.0625 ( 13129 PWs) bands (ev): -77.7723 -77.7723 -77.7722 -77.7722 -46.6199 -46.6199 -46.6192 -46.6192 -42.3140 -42.3140 -42.3121 -42.3121 -41.9672 -41.9672 -41.9669 -41.9669 -7.0290 -7.0290 -6.5008 -6.5008 -6.2918 -6.2918 -6.0535 -6.0535 -4.9460 -4.9460 -4.0059 -4.0059 1.3619 1.3619 1.5581 1.5581 1.7393 1.7393 1.9310 1.9310 2.1014 2.1014 2.2851 2.2851 2.6607 2.6607 3.2445 3.2445 3.3979 3.3979 3.5123 3.5123 3.6735 3.6735 3.9641 3.9641 4.1041 4.1041 4.2648 4.2648 4.4050 4.4050 4.5633 4.5633 4.7179 4.7179 4.8264 4.8264 5.1822 5.1822 5.3872 5.3872 5.5978 5.5978 5.7739 5.7739 6.0684 6.0684 6.1377 6.1377 7.3822 7.3822 7.5025 7.5025 8.1008 8.1008 8.5215 8.5215 10.3464 10.3464 10.7266 10.7266 11.3737 11.3737 12.0334 12.0334 k = 0.0000 0.1821-0.0673 ( 13122 PWs) bands (ev): -77.7723 -77.7723 -77.7722 -77.7722 -46.6199 -46.6199 -46.6192 -46.6192 -42.3139 -42.3139 -42.3122 -42.3122 -41.9672 -41.9672 -41.9669 -41.9669 -7.0114 -7.0114 -6.5117 -6.5117 -6.3052 -6.3052 -6.0541 -6.0541 -4.9423 -4.9423 -4.0054 -4.0054 1.3844 1.3844 1.5592 1.5592 1.7290 1.7290 1.9210 1.9210 2.1151 2.1151 2.2876 2.2876 2.6551 2.6551 3.2691 3.2691 3.3734 3.3734 3.4913 3.4913 3.6778 3.6778 3.9802 3.9802 4.1076 4.1076 4.2730 4.2730 4.4011 4.4011 4.5775 4.5775 4.7303 4.7303 4.8476 4.8476 5.1902 5.1902 5.4036 5.4036 5.5738 5.5738 5.7527 5.7527 6.0421 6.0421 6.1132 6.1132 7.3497 7.3497 7.4778 7.4778 8.0948 8.0948 8.5165 8.5165 10.3738 10.3738 10.7507 10.7507 11.3946 11.3946 12.0702 12.0702 k = 0.0000 0.1952-0.0722 ( 13112 PWs) bands (ev): -77.7723 -77.7723 -77.7722 -77.7722 -46.6199 -46.6199 -46.6192 -46.6192 -42.3138 -42.3138 -42.3122 -42.3122 -41.9672 -41.9672 -41.9669 -41.9669 -6.9932 -6.9932 -6.5238 -6.5238 -6.3179 -6.3179 -6.0547 -6.0547 -4.9385 -4.9385 -4.0050 -4.0050 1.4031 1.4031 1.5583 1.5583 1.7210 1.7210 1.9148 1.9148 2.1337 2.1337 2.2915 2.2915 2.6484 2.6484 3.2725 3.2725 3.3505 3.3505 3.4842 3.4842 3.6812 3.6812 3.9977 3.9977 4.1099 4.1099 4.2806 4.2806 4.3973 4.3973 4.5917 4.5917 4.7444 4.7444 4.8713 4.8713 5.1965 5.1965 5.4174 5.4174 5.5512 5.5512 5.7329 5.7329 6.0143 6.0143 6.0888 6.0888 7.3197 7.3197 7.4539 7.4539 8.0898 8.0898 8.5116 8.5116 10.4034 10.4034 10.7745 10.7745 11.4110 11.4110 12.0870 12.0870 k = 0.0000 0.2082-0.0770 ( 13105 PWs) bands (ev): -77.7722 -77.7722 -77.7722 -77.7722 -46.6198 -46.6198 -46.6192 -46.6192 -42.3137 -42.3137 -42.3123 -42.3123 -41.9672 -41.9672 -41.9669 -41.9669 -6.9744 -6.9744 -6.5370 -6.5370 -6.3296 -6.3296 -6.0554 -6.0554 -4.9347 -4.9347 -4.0047 -4.0047 1.4176 1.4176 1.5554 1.5554 1.7153 1.7153 1.9121 1.9121 2.1573 2.1573 2.2968 2.2968 2.6409 2.6409 3.2355 3.2355 3.3524 3.3524 3.4876 3.4876 3.6843 3.6843 4.0129 4.0129 4.1121 4.1121 4.2859 4.2859 4.3969 4.3969 4.6054 4.6054 4.7607 4.7607 4.8957 4.8957 5.2008 5.2008 5.4251 5.4251 5.5336 5.5336 5.7148 5.7148 5.9857 5.9857 6.0647 6.0647 7.2930 7.2930 7.4307 7.4307 8.0858 8.0858 8.5069 8.5069 10.4346 10.4346 10.7974 10.7974 11.4250 11.4250 12.0752 12.0752 k = 0.0000 0.2212-0.0818 ( 13109 PWs) bands (ev): -77.7722 -77.7722 -77.7722 -77.7722 -46.6198 -46.6198 -46.6193 -46.6193 -42.3137 -42.3137 -42.3124 -42.3124 -41.9671 -41.9671 -41.9669 -41.9669 -6.9555 -6.9555 -6.5513 -6.5513 -6.3401 -6.3401 -6.0560 -6.0560 -4.9311 -4.9311 -4.0045 -4.0045 1.4283 1.4283 1.5508 1.5508 1.7114 1.7114 1.9125 1.9125 2.1856 2.1856 2.3041 2.3041 2.6330 2.6330 3.1772 3.1772 3.3646 3.3646 3.4971 3.4971 3.6889 3.6889 4.0214 4.0214 4.1162 4.1162 4.2865 4.2865 4.4035 4.4035 4.6184 4.6184 4.7791 4.7791 4.9192 4.9192 5.2032 5.2032 5.4215 5.4215 5.5260 5.5260 5.6987 5.6987 5.9574 5.9574 6.0411 6.0411 7.2702 7.2702 7.4084 7.4084 8.0826 8.0826 8.5025 8.5025 10.4665 10.4665 10.8187 10.8187 11.4384 11.4384 12.0368 12.0368 k = 0.0000 0.2342-0.0866 ( 13119 PWs) bands (ev): -77.7722 -77.7722 -77.7722 -77.7722 -46.6198 -46.6198 -46.6193 -46.6193 -42.3136 -42.3136 -42.3125 -42.3125 -41.9671 -41.9671 -41.9669 -41.9669 -6.9366 -6.9366 -6.5663 -6.5663 -6.3492 -6.3492 -6.0566 -6.0566 -4.9278 -4.9278 -4.0045 -4.0045 1.4355 1.4355 1.5453 1.5453 1.7089 1.7089 1.9147 1.9147 2.2172 2.2172 2.3147 2.3147 2.6250 2.6250 3.1117 3.1117 3.3766 3.3766 3.5082 3.5082 3.6974 3.6974 4.0201 4.0201 4.1242 4.1242 4.2812 4.2812 4.4185 4.4185 4.6305 4.6305 4.7994 4.7994 4.9404 4.9404 5.2040 5.2040 5.4059 5.4059 5.5290 5.5290 5.6848 5.6848 5.9308 5.9308 6.0180 6.0180 7.2513 7.2513 7.3873 7.3873 8.0803 8.0803 8.4985 8.4985 10.4982 10.4982 10.8381 10.8381 11.4529 11.4529 11.9817 11.9817 k = 0.0000 0.2472-0.0914 ( 13121 PWs) bands (ev): -77.7722 -77.7722 -77.7722 -77.7722 -46.6197 -46.6197 -46.6193 -46.6193 -42.3135 -42.3135 -42.3125 -42.3125 -41.9671 -41.9671 -41.9669 -41.9669 -6.9182 -6.9182 -6.5816 -6.5816 -6.3568 -6.3568 -6.0571 -6.0571 -4.9247 -4.9247 -4.0045 -4.0045 1.4399 1.4399 1.5395 1.5395 1.7072 1.7072 1.9179 1.9179 2.2478 2.2478 2.3322 2.3322 2.6172 2.6172 3.0433 3.0433 3.3868 3.3868 3.5175 3.5175 3.7116 3.7116 4.0092 4.0092 4.1353 4.1353 4.2714 4.2714 4.4399 4.4399 4.6411 4.6411 4.8210 4.8210 4.9576 4.9576 5.2040 5.2040 5.3836 5.3836 5.5378 5.5378 5.6732 5.6732 5.9076 5.9076 5.9957 5.9957 7.2366 7.2366 7.3677 7.3677 8.0785 8.0785 8.4949 8.4949 10.5286 10.5286 10.8550 10.8550 11.4697 11.4697 11.9188 11.9188 k = 0.0000 0.2602-0.0962 ( 13116 PWs) bands (ev): -77.7722 -77.7722 -77.7722 -77.7722 -46.6197 -46.6197 -46.6194 -46.6194 -42.3134 -42.3134 -42.3126 -42.3126 -41.9671 -41.9671 -41.9669 -41.9669 -6.9010 -6.9010 -6.5965 -6.5965 -6.3630 -6.3630 -6.0575 -6.0575 -4.9221 -4.9221 -4.0045 -4.0045 1.4423 1.4423 1.5339 1.5339 1.7062 1.7062 1.9212 1.9212 2.2709 2.2709 2.3614 2.3614 2.6103 2.6103 2.9746 2.9746 3.3955 3.3955 3.5232 3.5232 3.7322 3.7322 3.9909 3.9909 4.1477 4.1477 4.2594 4.2594 4.4638 4.4638 4.6502 4.6502 4.8438 4.8438 4.9689 4.9689 5.2042 5.2042 5.3594 5.3594 5.5481 5.5481 5.6632 5.6632 5.8895 5.8895 5.9742 5.9742 7.2257 7.2257 7.3502 7.3502 8.0774 8.0774 8.4918 8.4918 10.5564 10.5564 10.8690 10.8690 11.4901 11.4901 11.8542 11.8542 k = 0.0000 0.2732-0.1010 ( 13115 PWs) bands (ev): -77.7722 -77.7722 -77.7722 -77.7722 -46.6197 -46.6197 -46.6194 -46.6194 -42.3133 -42.3133 -42.3127 -42.3127 -41.9671 -41.9671 -41.9669 -41.9669 -6.8857 -6.8857 -6.6101 -6.6101 -6.3678 -6.3678 -6.0579 -6.0579 -4.9200 -4.9200 -4.0046 -4.0046 1.4434 1.4434 1.5292 1.5292 1.7056 1.7056 1.9241 1.9241 2.2847 2.2847 2.4013 2.4013 2.6048 2.6048 2.9080 2.9080 3.4028 3.4028 3.5252 3.5252 3.7580 3.7580 3.9674 3.9674 4.1602 4.1602 4.2467 4.2467 4.4869 4.4869 4.6573 4.6573 4.8674 4.8674 4.9726 4.9726 5.2059 5.2059 5.3360 5.3360 5.5581 5.5581 5.6542 5.6542 5.8780 5.8780 5.9539 5.9539 7.2183 7.2183 7.3353 7.3353 8.0766 8.0766 8.4893 8.4893 10.5801 10.5801 10.8801 10.8801 11.5148 11.5148 11.7913 11.7913 k = 0.0000 0.2862-0.1058 ( 13109 PWs) bands (ev): -77.7722 -77.7722 -77.7722 -77.7722 -46.6196 -46.6196 -46.6194 -46.6194 -42.3133 -42.3133 -42.3128 -42.3128 -41.9671 -41.9671 -41.9670 -41.9670 -6.8734 -6.8734 -6.6212 -6.6212 -6.3712 -6.3712 -6.0582 -6.0582 -4.9185 -4.9185 -4.0046 -4.0046 1.4437 1.4437 1.5257 1.5257 1.7053 1.7053 1.9262 1.9262 2.2924 2.2924 2.4444 2.4444 2.6014 2.6014 2.8476 2.8476 3.4085 3.4085 3.5251 3.5251 3.7866 3.7866 3.9412 3.9412 4.1719 4.1719 4.2346 4.2346 4.5059 4.5059 4.6624 4.6624 4.8914 4.8914 4.9679 4.9679 5.2100 5.2100 5.3155 5.3155 5.5671 5.5671 5.6458 5.6458 5.8732 5.8732 5.9359 5.9359 7.2137 7.2137 7.3238 7.3238 8.0762 8.0762 8.4874 8.4874 10.5983 10.5983 10.8879 10.8879 11.5443 11.5443 11.7325 11.7325 k = 0.0000 0.2992-0.1106 ( 13112 PWs) bands (ev): -77.7722 -77.7722 -77.7722 -77.7722 -46.6196 -46.6196 -46.6195 -46.6195 -42.3132 -42.3132 -42.3129 -42.3129 -41.9671 -41.9671 -41.9670 -41.9670 -6.8653 -6.8653 -6.6287 -6.6287 -6.3732 -6.3732 -6.0583 -6.0583 -4.9175 -4.9175 -4.0047 -4.0047 1.4437 1.4437 1.5234 1.5234 1.7051 1.7051 1.9276 1.9276 2.2965 2.2965 2.4799 2.4799 2.6006 2.6006 2.8011 2.8011 3.4122 3.4122 3.5242 3.5242 3.8134 3.8134 3.9161 3.9161 4.1816 4.1816 4.2245 4.2245 4.5184 4.5184 4.6655 4.6655 4.9151 4.9151 4.9554 4.9554 5.2150 5.2150 5.3004 5.3004 5.5741 5.5741 5.6389 5.6389 5.8736 5.8736 5.9221 5.9221 7.2114 7.2114 7.3165 7.3165 8.0760 8.0760 8.4863 8.4863 10.6099 10.6099 10.8926 10.8926 11.5781 11.5781 11.6804 11.6804 k = 0.0000 0.3122-0.1155 ( 13106 PWs) bands (ev): -77.7722 -77.7722 -77.7722 -77.7722 -46.6196 -46.6196 -46.6195 -46.6195 -42.3132 -42.3132 -42.3129 -42.3129 -41.9671 -41.9671 -41.9670 -41.9670 -6.8625 -6.8625 -6.6313 -6.6313 -6.3738 -6.3738 -6.0584 -6.0584 -4.9172 -4.9172 -4.0047 -4.0047 1.4437 1.4437 1.5227 1.5227 1.7051 1.7051 1.9280 1.9280 2.2977 2.2977 2.4943 2.4943 2.6011 2.6011 2.7824 2.7824 3.4135 3.4135 3.5238 3.5238 3.8268 3.8268 3.9033 3.9033 4.1861 4.1861 4.2199 4.2199 4.5228 4.5228 4.6665 4.6665 4.9369 4.9369 4.9372 4.9372 5.2175 5.2175 5.2946 5.2946 5.5769 5.5769 5.6361 5.6361 5.8749 5.8749 5.9164 5.9164 7.2107 7.2107 7.3140 7.3140 8.0759 8.0759 8.4859 8.4859 10.6138 10.6138 10.8942 10.8942 11.6032 11.6032 11.6491 11.6491 k = 0.5000 0.2428-0.1710 ( 13118 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6192 -46.6192 -42.3144 -42.3144 -42.3119 -42.3119 -41.9673 -41.9673 -41.9673 -41.9673 -6.4703 -6.4703 -6.3546 -6.3546 -6.2533 -6.2533 -6.0035 -6.0035 -4.6134 -4.6134 -4.4044 -4.4044 0.8727 0.8727 0.9093 0.9093 1.6850 1.6850 1.9117 1.9117 2.0482 2.0482 2.3757 2.3757 2.4143 2.4143 2.7898 2.7898 3.3249 3.3249 3.5794 3.5794 3.6573 3.6573 3.8159 3.8159 3.9752 3.9752 4.0498 4.0498 4.2050 4.2050 4.2821 4.2821 4.4915 4.4915 4.5917 4.5917 4.8441 4.8441 4.8835 4.8835 5.2144 5.2144 5.2442 5.2442 5.4434 5.4434 5.7071 5.7071 7.6956 7.6956 8.0484 8.0484 8.3484 8.3484 8.6777 8.6777 10.8121 10.8121 10.9152 10.9152 11.3807 11.3807 11.4304 11.4304 k = 0.4881 0.2370-0.1669 ( 13115 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6192 -46.6192 -42.3144 -42.3144 -42.3119 -42.3119 -41.9673 -41.9673 -41.9673 -41.9673 -6.4713 -6.4713 -6.3554 -6.3554 -6.2529 -6.2529 -6.0034 -6.0034 -4.6139 -4.6139 -4.4035 -4.4035 0.8732 0.8732 0.9110 0.9110 1.6836 1.6836 1.9115 1.9115 2.0475 2.0475 2.3774 2.3774 2.4161 2.4161 2.7907 2.7907 3.3220 3.3220 3.5780 3.5780 3.6586 3.6586 3.8164 3.8164 3.9744 3.9744 4.0494 4.0494 4.2036 4.2036 4.2837 4.2837 4.4915 4.4915 4.5882 4.5882 4.8452 4.8452 4.8850 4.8850 5.2058 5.2058 5.2605 5.2605 5.4446 5.4446 5.7090 5.7090 7.6922 7.6922 8.0481 8.0481 8.3460 8.3460 8.6757 8.6757 10.8126 10.8126 10.9206 10.9206 11.3786 11.3786 11.4348 11.4348 k = 0.4762 0.2312-0.1628 ( 13128 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6192 -46.6192 -42.3144 -42.3144 -42.3119 -42.3119 -41.9673 -41.9673 -41.9673 -41.9673 -6.4744 -6.4744 -6.3578 -6.3578 -6.2518 -6.2518 -6.0031 -6.0031 -4.6154 -4.6154 -4.4007 -4.4007 0.8747 0.8747 0.9161 0.9161 1.6794 1.6794 1.9111 1.9111 2.0453 2.0453 2.3820 2.3820 2.4215 2.4215 2.7933 2.7933 3.3135 3.3135 3.5742 3.5742 3.6621 3.6621 3.8179 3.8179 3.9712 3.9712 4.0488 4.0488 4.1999 4.1999 4.2881 4.2881 4.4914 4.4914 4.5789 4.5789 4.8477 4.8477 4.8902 4.8902 5.1968 5.1968 5.2912 5.2912 5.4486 5.4486 5.7147 5.7147 7.6822 7.6822 8.0471 8.0471 8.3388 8.3388 8.6699 8.6699 10.8141 10.8141 10.9366 10.9366 11.3738 11.3738 11.4464 11.4464 k = 0.4643 0.2254-0.1588 ( 13130 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6192 -46.6192 -42.3144 -42.3144 -42.3119 -42.3119 -41.9673 -41.9673 -41.9673 -41.9673 -6.4797 -6.4797 -6.3615 -6.3615 -6.2501 -6.2501 -6.0026 -6.0026 -4.6177 -4.6177 -4.3960 -4.3960 0.8775 0.8775 0.9241 0.9241 1.6727 1.6727 1.9102 1.9102 2.0422 2.0422 2.3888 2.3888 2.4309 2.4309 2.7978 2.7978 3.2995 3.2995 3.5694 3.5694 3.6666 3.6666 3.8200 3.8200 3.9643 3.9643 4.0494 4.0494 4.1950 4.1950 4.2945 4.2945 4.4909 4.4909 4.5661 4.5661 4.8501 4.8501 4.8997 4.8997 5.1944 5.1944 5.3256 5.3256 5.4568 5.4568 5.7246 5.7246 7.6660 7.6660 8.0450 8.0450 8.3275 8.3275 8.6605 8.6605 10.8168 10.8168 10.9624 10.9624 11.3687 11.3687 11.4632 11.4632 k = 0.4524 0.2197-0.1547 ( 13134 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6192 -46.6192 -42.3144 -42.3144 -42.3119 -42.3119 -41.9673 -41.9673 -41.9673 -41.9673 -6.4872 -6.4872 -6.3661 -6.3661 -6.2480 -6.2480 -6.0020 -6.0020 -4.6210 -4.6210 -4.3897 -4.3897 0.8818 0.8818 0.9350 0.9350 1.6638 1.6638 1.9088 1.9088 2.0384 2.0384 2.3967 2.3967 2.4444 2.4444 2.8041 2.8041 3.2807 3.2807 3.5646 3.5646 3.6712 3.6712 3.8226 3.8226 3.9524 3.9524 4.0521 4.0521 4.1901 4.1901 4.3025 4.3025 4.4892 4.4892 4.5531 4.5531 4.8522 4.8522 4.9132 4.9132 5.1987 5.1987 5.3578 5.3578 5.4718 5.4718 5.7393 5.7393 7.6445 7.6445 8.0410 8.0410 8.3127 8.3127 8.6481 8.6481 10.8207 10.8207 10.9969 10.9969 11.3647 11.3647 11.4841 11.4841 k = 0.4405 0.2139-0.1506 ( 13134 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6192 -46.6192 -42.3144 -42.3144 -42.3119 -42.3119 -41.9673 -41.9673 -41.9673 -41.9673 -6.4971 -6.4971 -6.3710 -6.3710 -6.2457 -6.2457 -6.0013 -6.0013 -4.6251 -4.6251 -4.3817 -4.3817 0.8877 0.8877 0.9483 0.9483 1.6531 1.6531 1.9069 1.9069 2.0345 2.0345 2.4053 2.4053 2.4614 2.4614 2.8122 2.8122 3.2578 3.2578 3.5602 3.5602 3.6751 3.6751 3.8254 3.8254 3.9359 3.9359 4.0569 4.0569 4.1860 4.1860 4.3117 4.3117 4.4849 4.4849 4.5432 4.5432 4.8543 4.8543 4.9297 4.9297 5.2091 5.2091 5.3826 5.3826 5.4955 5.4955 5.7594 5.7594 7.6185 7.6185 8.0345 8.0345 8.2957 8.2957 8.6331 8.6331 10.8259 10.8259 11.0387 11.0387 11.3630 11.3630 11.5086 11.5086 k = 0.4286 0.2081-0.1465 ( 13125 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6192 -46.6192 -42.3144 -42.3144 -42.3118 -42.3118 -41.9673 -41.9673 -41.9673 -41.9673 -6.5093 -6.5093 -6.3761 -6.3761 -6.2434 -6.2434 -6.0005 -6.0005 -4.6301 -4.6301 -4.3723 -4.3723 0.8952 0.8952 0.9638 0.9638 1.6411 1.6411 1.9045 1.9045 2.0307 2.0307 2.4142 2.4142 2.4811 2.4811 2.8220 2.8220 3.2317 3.2317 3.5562 3.5562 3.6774 3.6774 3.8281 3.8281 3.9169 3.9169 4.0629 4.0629 4.1831 4.1831 4.3219 4.3219 4.4774 4.4774 4.5386 4.5386 4.8570 4.8570 4.9481 4.9481 5.2246 5.2246 5.3997 5.3997 5.5258 5.5258 5.7858 5.7858 7.5889 7.5889 8.0248 8.0248 8.2778 8.2778 8.6163 8.6163 10.8321 10.8321 11.0858 11.0858 11.3649 11.3649 11.5366 11.5366 k = 0.4167 0.2023-0.1425 ( 13123 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6191 -46.6191 -42.3144 -42.3144 -42.3118 -42.3118 -41.9673 -41.9673 -41.9673 -41.9673 -6.5238 -6.5238 -6.3810 -6.3810 -6.2411 -6.2411 -5.9997 -5.9997 -4.6358 -4.6358 -4.3615 -4.3615 0.9044 0.9044 0.9814 0.9814 1.6282 1.6282 1.9017 1.9017 2.0273 2.0273 2.4235 2.4235 2.5026 2.5026 2.8333 2.8333 3.2038 3.2038 3.5520 3.5520 3.6777 3.6777 3.8308 3.8308 3.8981 3.8981 4.0689 4.0689 4.1817 4.1817 4.3330 4.3330 4.4674 4.4674 4.5392 4.5392 4.8605 4.8605 4.9676 4.9676 5.2443 5.2443 5.4124 5.4124 5.5574 5.5574 5.8185 5.8185 7.5568 7.5568 8.0114 8.0114 8.2603 8.2603 8.5980 8.5980 10.8391 10.8391 11.1349 11.1349 11.3726 11.3726 11.5680 11.5680 k = 0.4048 0.1965-0.1384 ( 13122 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6191 -46.6191 -42.3144 -42.3144 -42.3118 -42.3118 -41.9673 -41.9673 -41.9673 -41.9673 -6.5405 -6.5405 -6.3857 -6.3857 -6.2390 -6.2390 -5.9990 -5.9990 -4.6423 -4.6423 -4.3496 -4.3496 0.9151 0.9151 1.0008 1.0008 1.6149 1.6149 1.8986 1.8986 2.0243 2.0243 2.4330 2.4330 2.5248 2.5248 2.8461 2.8461 3.1754 3.1754 3.5466 3.5466 3.6758 3.6758 3.8335 3.8335 3.8821 3.8821 4.0739 4.0739 4.1817 4.1817 4.3451 4.3451 4.4568 4.4568 4.5438 4.5438 4.8649 4.8649 4.9878 4.9878 5.2667 5.2667 5.4242 5.4242 5.5869 5.5869 5.8563 5.8563 7.5231 7.5231 7.9946 7.9946 8.2443 8.2443 8.5789 8.5789 10.8467 10.8467 11.1811 11.1811 11.3900 11.3900 11.6029 11.6029 k = 0.3929 0.1907-0.1343 ( 13120 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6191 -46.6191 -42.3144 -42.3144 -42.3118 -42.3118 -41.9673 -41.9673 -41.9672 -41.9672 -6.5591 -6.5591 -6.3900 -6.3900 -6.2369 -6.2369 -5.9984 -5.9984 -4.6495 -4.6495 -4.3367 -4.3367 0.9273 0.9273 1.0218 1.0218 1.6015 1.6015 1.8954 1.8954 2.0217 2.0217 2.4426 2.4426 2.5466 2.5466 2.8598 2.8598 3.1478 3.1478 3.5384 3.5384 3.6723 3.6723 3.8367 3.8367 3.8708 3.8708 4.0774 4.0774 4.1830 4.1830 4.3580 4.3580 4.4468 4.4468 4.5514 4.5514 4.8701 4.8701 5.0087 5.0087 5.2902 5.2902 5.4373 5.4373 5.6131 5.6131 5.8971 5.8971 7.4888 7.4888 7.9751 7.9751 8.2304 8.2304 8.5594 8.5594 10.8546 10.8546 11.2186 11.2186 11.4211 11.4211 11.6413 11.6413 k = 0.3810 0.1850-0.1303 ( 13117 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6191 -46.6191 -42.3144 -42.3144 -42.3118 -42.3118 -41.9673 -41.9673 -41.9672 -41.9672 -6.5794 -6.5794 -6.3940 -6.3940 -6.2350 -6.2350 -5.9980 -5.9980 -4.6573 -4.6573 -4.3229 -4.3229 0.9410 0.9410 1.0442 1.0442 1.5886 1.5886 1.8924 1.8924 2.0195 2.0195 2.4521 2.4521 2.5671 2.5671 2.8741 2.8741 3.1229 3.1229 3.5261 3.5261 3.6692 3.6692 3.8406 3.8406 3.8647 3.8647 4.0792 4.0792 4.1852 4.1852 4.3712 4.3712 4.4381 4.4381 4.5616 4.5616 4.8760 4.8760 5.0301 5.0301 5.3126 5.3126 5.4537 5.4537 5.6363 5.6363 5.9380 5.9380 7.4548 7.4548 7.9545 7.9545 8.2188 8.2188 8.5398 8.5398 10.8624 10.8624 11.2447 11.2447 11.4666 11.4666 11.6837 11.6837 k = 0.3690 0.1792-0.1262 ( 13121 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6191 -46.6191 -42.3144 -42.3144 -42.3118 -42.3118 -41.9673 -41.9673 -41.9672 -41.9672 -6.6011 -6.6011 -6.3977 -6.3977 -6.2332 -6.2332 -5.9978 -5.9978 -4.6659 -4.6659 -4.3084 -4.3084 0.9560 0.9560 1.0676 1.0676 1.5763 1.5763 1.8898 1.8898 2.0176 2.0176 2.4611 2.4611 2.5851 2.5851 2.8882 2.8882 3.1026 3.1026 3.5092 3.5092 3.6684 3.6684 3.8454 3.8454 3.8634 3.8634 4.0794 4.0794 4.1878 4.1878 4.3837 4.3837 4.4316 4.4316 4.5742 4.5742 4.8824 4.8824 5.0522 5.0522 5.3323 5.3323 5.4742 5.4742 5.6573 5.6573 5.9763 5.9763 7.4219 7.4219 7.9348 7.9348 8.2091 8.2091 8.5206 8.5206 10.8698 10.8698 11.2617 11.2617 11.5214 11.5214 11.7305 11.7305 k = 0.3571 0.1734-0.1221 ( 13123 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6191 -46.6191 -42.3144 -42.3144 -42.3118 -42.3118 -41.9673 -41.9673 -41.9672 -41.9672 -6.6240 -6.6240 -6.4012 -6.4012 -6.2315 -6.2315 -5.9977 -5.9977 -4.6750 -4.6750 -4.2934 -4.2934 0.9721 0.9721 1.0917 1.0917 1.5650 1.5650 1.8877 1.8877 2.0159 2.0159 2.4693 2.4693 2.5992 2.5992 2.9016 2.9016 3.0888 3.0888 3.4884 3.4884 3.6710 3.6710 3.8499 3.8499 3.8670 3.8670 4.0783 4.0783 4.1905 4.1905 4.3928 4.3928 4.4300 4.4300 4.5892 4.5892 4.8892 4.8892 5.0750 5.0750 5.3482 5.3482 5.4987 5.4987 5.6772 5.6772 6.0098 6.0098 7.3911 7.3911 7.9179 7.9179 8.2010 8.2010 8.5020 8.5020 10.8764 10.8764 11.2736 11.2736 11.5787 11.5787 11.7820 11.7820 k = 0.3452 0.1676-0.1180 ( 13123 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6191 -46.6191 -42.3144 -42.3144 -42.3118 -42.3118 -41.9673 -41.9673 -41.9672 -41.9672 -6.6480 -6.6480 -6.4044 -6.4044 -6.2298 -6.2298 -5.9979 -5.9979 -4.6847 -4.6847 -4.2780 -4.2780 0.9893 0.9893 1.1161 1.1161 1.5550 1.5550 1.8865 1.8865 2.0144 2.0144 2.4763 2.4763 2.6083 2.6083 2.9139 2.9139 3.0831 3.0831 3.4658 3.4658 3.6769 3.6769 3.8531 3.8531 3.8755 3.8755 4.0761 4.0761 4.1929 4.1929 4.3949 4.3949 4.4363 4.4363 4.6064 4.6064 4.8962 4.8962 5.0987 5.0987 5.3608 5.3608 5.5256 5.5256 5.6966 5.6966 6.0367 6.0367 7.3632 7.3632 7.9056 7.9056 8.1941 8.1941 8.4843 8.4843 10.8818 10.8818 11.2829 11.2829 11.6326 11.6326 11.8374 11.8374 k = 0.3333 0.1618-0.1140 ( 13124 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6191 -46.6191 -42.3144 -42.3144 -42.3118 -42.3118 -41.9673 -41.9673 -41.9672 -41.9672 -6.6726 -6.6726 -6.4074 -6.4074 -6.2282 -6.2282 -5.9984 -5.9984 -4.6950 -4.6950 -4.2624 -4.2624 1.0075 1.0075 1.1403 1.1403 1.5468 1.5468 1.8861 1.8861 2.0131 2.0131 2.4813 2.4813 2.6121 2.6121 2.9259 2.9259 3.0856 3.0856 3.4433 3.4433 3.6856 3.6856 3.8556 3.8556 3.8874 3.8874 4.0731 4.0731 4.1949 4.1949 4.3915 4.3915 4.4486 4.4486 4.6260 4.6260 4.9034 4.9034 5.1234 5.1234 5.3709 5.3709 5.5527 5.5527 5.7160 5.7160 6.0560 6.0560 7.3390 7.3390 7.8990 7.8990 8.1881 8.1881 8.4679 8.4679 10.8856 10.8856 11.2909 11.2909 11.6800 11.6800 11.8937 11.8937 k = 0.3214 0.1561-0.1099 ( 13128 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6191 -46.6191 -42.3144 -42.3144 -42.3118 -42.3118 -41.9673 -41.9673 -41.9672 -41.9672 -6.6978 -6.6978 -6.4103 -6.4103 -6.2266 -6.2266 -5.9991 -5.9991 -4.7058 -4.7058 -4.2467 -4.2467 1.0264 1.0264 1.1639 1.1639 1.5408 1.5408 1.8868 1.8868 2.0121 2.0121 2.4833 2.4833 2.6111 2.6111 2.9387 2.9387 3.0952 3.0952 3.4227 3.4227 3.6965 3.6965 3.8580 3.8580 3.9014 3.9014 4.0695 4.0695 4.1964 4.1964 4.3861 4.3861 4.4634 4.4634 4.6477 4.6477 4.9106 4.9106 5.1491 5.1491 5.3791 5.3791 5.5780 5.5780 5.7357 5.7357 6.0674 6.0674 7.3194 7.3194 7.8987 7.8987 8.1827 8.1827 8.4532 8.4532 10.8875 10.8875 11.2982 11.2982 11.7192 11.7192 11.9449 11.9449 k = 0.3095 0.1503-0.1058 ( 13131 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6191 -46.6191 -42.3144 -42.3144 -42.3118 -42.3118 -41.9673 -41.9673 -41.9671 -41.9671 -6.7234 -6.7234 -6.4130 -6.4130 -6.2250 -6.2250 -6.0001 -6.0001 -4.7171 -4.7171 -4.2310 -4.2310 1.0460 1.0460 1.1862 1.1862 1.5375 1.5375 1.8886 1.8886 2.0112 2.0112 2.4808 2.4808 2.6073 2.6073 2.9530 2.9530 3.1096 3.1096 3.4054 3.4054 3.7091 3.7091 3.8605 3.8605 3.9169 3.9169 4.0655 4.0655 4.1973 4.1973 4.3800 4.3800 4.4791 4.4791 4.6714 4.6714 4.9179 4.9179 5.1760 5.1760 5.3862 5.3862 5.6001 5.6001 5.7553 5.7553 6.0711 6.0711 7.3056 7.3056 7.9042 7.9042 8.1779 8.1779 8.4405 8.4405 10.8871 10.8871 11.3049 11.3049 11.7495 11.7495 11.9837 11.9837 k = 0.2976 0.1445-0.1018 ( 13137 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6191 -46.6191 -42.3144 -42.3144 -42.3118 -42.3118 -41.9673 -41.9673 -41.9671 -41.9671 -6.7492 -6.7492 -6.4155 -6.4155 -6.2233 -6.2233 -6.0014 -6.0014 -4.7288 -4.7288 -4.2154 -4.2154 1.0659 1.0659 1.2066 1.2066 1.5375 1.5375 1.8915 1.8915 2.0107 2.0107 2.4724 2.4724 2.6036 2.6036 2.9690 2.9690 3.1271 3.1271 3.3925 3.3925 3.7229 3.7229 3.8632 3.8632 3.9332 3.9332 4.0614 4.0614 4.1977 4.1977 4.3736 4.3736 4.4950 4.4950 4.6969 4.6969 4.9253 4.9253 5.2041 5.2041 5.3925 5.3925 5.6182 5.6182 5.7744 5.7744 6.0679 6.0679 7.2986 7.2986 7.9142 7.9142 8.1735 8.1735 8.4305 8.4305 10.8842 10.8842 11.3106 11.3106 11.7700 11.7700 12.0033 12.0033 k = 0.2857 0.1387-0.0977 ( 13131 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6191 -46.6191 -42.3144 -42.3144 -42.3118 -42.3118 -41.9673 -41.9673 -41.9671 -41.9671 -6.7751 -6.7751 -6.4179 -6.4179 -6.2216 -6.2216 -6.0029 -6.0029 -4.7409 -4.7409 -4.2000 -4.2000 1.0859 1.0859 1.2246 1.2246 1.5413 1.5413 1.8954 1.8954 2.0106 2.0106 2.4573 2.4573 2.6020 2.6020 2.9860 2.9860 3.1462 3.1462 3.3849 3.3849 3.7374 3.7374 3.8662 3.8662 3.9500 3.9500 4.0573 4.0573 4.1976 4.1976 4.3671 4.3671 4.5108 4.5108 4.7234 4.7234 4.9330 4.9330 5.2331 5.2331 5.3984 5.3984 5.6322 5.6322 5.7922 5.7922 6.0590 6.0590 7.2993 7.2993 7.9270 7.9270 8.1695 8.1695 8.4237 8.4237 10.8786 10.8786 11.3148 11.3148 11.7796 11.7796 12.0008 12.0008 k = 0.2738 0.1329-0.0936 ( 13135 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6191 -46.6191 -42.3144 -42.3144 -42.3118 -42.3118 -41.9673 -41.9673 -41.9671 -41.9671 -6.8008 -6.8008 -6.4201 -6.4201 -6.2197 -6.2197 -6.0046 -6.0046 -4.7533 -4.7533 -4.1850 -4.1850 1.1056 1.1056 1.2400 1.2400 1.5495 1.5495 1.9001 1.9001 2.0110 2.0110 2.4366 2.4366 2.6031 2.6031 3.0031 3.0031 3.1656 3.1656 3.3831 3.3831 3.7524 3.7524 3.8694 3.8694 3.9667 3.9667 4.0535 4.0535 4.1969 4.1969 4.3606 4.3606 4.5265 4.5265 4.7503 4.7503 4.9415 4.9415 5.2626 5.2626 5.4044 5.4044 5.6423 5.6423 5.8081 5.8081 6.0456 6.0456 7.3085 7.3085 7.9403 7.9403 8.1658 8.1658 8.4208 8.4208 10.8701 10.8701 11.3169 11.3169 11.7767 11.7767 11.9784 11.9784 k = 0.2619 0.1272-0.0896 ( 13138 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6191 -46.6191 -42.3144 -42.3144 -42.3117 -42.3117 -41.9673 -41.9673 -41.9671 -41.9671 -6.8263 -6.8263 -6.4222 -6.4222 -6.2178 -6.2178 -6.0066 -6.0066 -4.7660 -4.7660 -4.1705 -4.1705 1.1241 1.1241 1.2532 1.2532 1.5621 1.5621 1.9054 1.9054 2.0122 2.0122 2.4116 2.4116 2.6064 2.6064 3.0194 3.0194 3.1847 3.1847 3.3874 3.3874 3.7676 3.7676 3.8731 3.8731 3.9822 3.9822 4.0505 4.0505 4.1959 4.1959 4.3544 4.3544 4.5418 4.5418 4.7764 4.7764 4.9517 4.9517 5.2917 5.2917 5.4114 5.4114 5.6489 5.6489 5.8218 5.8218 6.0293 6.0293 7.3264 7.3264 7.9522 7.9522 8.1621 8.1621 8.4223 8.4223 10.8586 10.8586 11.3160 11.3160 11.7598 11.7598 11.9425 11.9425 k = 0.2500 0.1214-0.0855 ( 13128 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6191 -46.6191 -42.3144 -42.3144 -42.3117 -42.3117 -41.9673 -41.9673 -41.9670 -41.9670 -6.8514 -6.8514 -6.4241 -6.4241 -6.2157 -6.2157 -6.0088 -6.0088 -4.7790 -4.7790 -4.1564 -4.1564 1.1407 1.1407 1.2650 1.2650 1.5790 1.5790 1.9111 1.9111 2.0142 2.0142 2.3843 2.3843 2.6111 2.6111 3.0345 3.0345 3.2031 3.2031 3.3975 3.3975 3.7825 3.7825 3.8773 3.8773 3.9952 3.9952 4.0493 4.0493 4.1944 4.1944 4.3487 4.3487 4.5568 4.5568 4.8001 4.8001 4.9648 4.9648 5.3179 5.3179 5.4216 5.4216 5.6523 5.6523 5.8333 5.8333 6.0118 6.0118 7.3528 7.3528 7.9610 7.9610 8.1581 8.1581 8.4284 8.4284 10.8438 10.8438 11.3110 11.3110 11.7282 11.7282 11.9008 11.9008 k = 0.2381 0.1156-0.0814 ( 13116 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6191 -46.6191 -42.3144 -42.3144 -42.3117 -42.3117 -41.9673 -41.9673 -41.9670 -41.9670 -6.8760 -6.8760 -6.4260 -6.4260 -6.2136 -6.2136 -6.0111 -6.0111 -4.7921 -4.7921 -4.1429 -4.1429 1.1541 1.1541 1.2771 1.2771 1.5997 1.5997 1.9167 1.9167 2.0173 2.0173 2.3558 2.3558 2.6167 2.6167 3.0480 3.0480 3.2206 3.2206 3.4126 3.4126 3.7969 3.7969 3.8822 3.8822 4.0038 4.0038 4.0515 4.0515 4.1924 4.1924 4.3440 4.3440 4.5712 4.5712 4.8195 4.8195 4.9822 4.9822 5.3374 5.3374 5.4385 5.4385 5.6532 5.6532 5.8426 5.8426 5.9950 5.9950 7.3871 7.3871 7.9657 7.9657 8.1533 8.1533 8.4389 8.4389 10.8253 10.8253 11.3008 11.3008 11.6832 11.6832 11.8594 11.8594 k = 0.2262 0.1098-0.0773 ( 13118 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3117 -42.3117 -41.9673 -41.9673 -41.9670 -41.9670 -6.9000 -6.9000 -6.4276 -6.4276 -6.2113 -6.2113 -6.0136 -6.0136 -4.8053 -4.8053 -4.1299 -4.1299 1.1634 1.1634 1.2907 1.2907 1.6236 1.6236 1.9220 1.9220 2.0217 2.0217 2.3274 2.3274 2.6226 2.6226 3.0599 3.0599 3.2373 3.2373 3.4316 3.4316 3.8102 3.8102 3.8881 3.8881 4.0070 4.0070 4.0575 4.0575 4.1899 4.1899 4.3407 4.3407 4.5849 4.5849 4.8335 4.8335 5.0047 5.0047 5.3475 5.3475 5.4647 5.4647 5.6519 5.6519 5.8497 5.8497 5.9810 5.9810 7.4282 7.4282 7.9661 7.9661 8.1476 8.1476 8.4526 8.4526 10.8027 10.8027 11.2842 11.2842 11.6292 11.6292 11.8207 11.8207 k = 0.2143 0.1040-0.0733 ( 13106 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3117 -42.3117 -41.9673 -41.9673 -41.9670 -41.9670 -6.9234 -6.9234 -6.4292 -6.4292 -6.2089 -6.2089 -6.0162 -6.0162 -4.8185 -4.8185 -4.1177 -4.1177 1.1682 1.1682 1.3067 1.3067 1.6501 1.6501 1.9267 1.9267 2.0274 2.0274 2.2998 2.2998 2.6285 2.6285 3.0700 3.0700 3.2532 3.2532 3.4532 3.4532 3.8219 3.8219 3.8953 3.8953 4.0062 4.0062 4.0655 4.0655 4.1871 4.1871 4.3396 4.3396 4.5976 4.5976 4.8418 4.8418 5.0320 5.0320 5.3495 5.3495 5.4989 5.4989 5.6489 5.6489 5.8547 5.8547 5.9718 5.9718 7.4746 7.4746 7.9623 7.9623 8.1410 8.1410 8.4682 8.4682 10.7754 10.7754 11.2603 11.2603 11.5719 11.5719 11.7853 11.7853 k = 0.2024 0.0983-0.0692 ( 13105 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3117 -42.3117 -41.9673 -41.9673 -41.9670 -41.9670 -6.9459 -6.9459 -6.4306 -6.4306 -6.2064 -6.2064 -6.0189 -6.0189 -4.8317 -4.8317 -4.1061 -4.1061 1.1691 1.1691 1.3249 1.3249 1.6786 1.6786 1.9307 1.9307 2.0341 2.0341 2.2738 2.2738 2.6342 2.6342 3.0781 3.0781 3.2688 3.2688 3.4761 3.4761 3.8318 3.8318 3.9038 3.9038 4.0036 4.0036 4.0733 4.0733 4.1842 4.1842 4.3410 4.3410 4.6091 4.6091 4.8455 4.8455 5.0623 5.0623 5.3464 5.3464 5.5380 5.5380 5.6446 5.6446 5.8582 5.8582 5.9689 5.9689 7.5248 7.5248 7.9550 7.9550 8.1337 8.1337 8.4840 8.4840 10.7429 10.7429 11.2286 11.2286 11.5162 11.5162 11.7529 11.7529 k = 0.1905 0.0925-0.0651 ( 13108 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3117 -42.3117 -41.9673 -41.9673 -41.9669 -41.9669 -6.9676 -6.9676 -6.4319 -6.4319 -6.2038 -6.2038 -6.0217 -6.0217 -4.8448 -4.8448 -4.0952 -4.0952 1.1670 1.1670 1.3448 1.3448 1.7085 1.7085 1.9341 1.9341 2.0416 2.0416 2.2503 2.2503 2.6395 2.6395 3.0839 3.0839 3.2846 3.2846 3.4985 3.4985 3.8395 3.8395 3.9131 3.9131 4.0007 4.0007 4.0797 4.0797 4.1816 4.1816 4.3453 4.3453 4.6191 4.6191 4.8459 4.8459 5.0932 5.0932 5.3405 5.3405 5.5792 5.5792 5.6401 5.6401 5.8618 5.8618 5.9724 5.9724 7.5770 7.5770 7.9445 7.9445 8.1262 8.1262 8.4987 8.4987 10.7050 10.7050 11.1890 11.1890 11.4659 11.4659 11.7230 11.7230 k = 0.1786 0.0867-0.0611 ( 13110 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3117 -42.3117 -41.9673 -41.9673 -41.9669 -41.9669 -6.9883 -6.9883 -6.4331 -6.4331 -6.2011 -6.2011 -6.0245 -6.0245 -4.8576 -4.8576 -4.0850 -4.0850 1.1629 1.1629 1.3653 1.3653 1.7393 1.7393 1.9371 1.9371 2.0493 2.0493 2.2300 2.2300 2.6444 2.6444 3.0868 3.0868 3.3010 3.3010 3.5189 3.5189 3.8454 3.8454 3.9220 3.9220 3.9990 3.9990 4.0847 4.0847 4.1800 4.1800 4.3523 4.3523 4.6269 4.6269 4.8442 4.8442 5.1223 5.1223 5.3338 5.3338 5.6164 5.6164 5.6410 5.6410 5.8673 5.8673 5.9816 5.9816 7.6291 7.6291 7.9314 7.9314 8.1194 8.1194 8.5111 8.5111 10.6621 10.6621 11.1419 11.1419 11.4229 11.4229 11.6951 11.6951 k = 0.1667 0.0809-0.0570 ( 13104 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3117 -42.3117 -41.9673 -41.9673 -41.9669 -41.9669 -7.0080 -7.0080 -6.4342 -6.4342 -6.1983 -6.1983 -6.0274 -6.0274 -4.8701 -4.8701 -4.0756 -4.0756 1.1575 1.1575 1.3858 1.3858 1.7704 1.7704 1.9402 1.9402 2.0563 2.0563 2.2138 2.2138 2.6489 2.6489 3.0863 3.0863 3.3186 3.3186 3.5357 3.5357 3.8499 3.8499 3.9289 3.9289 3.9998 3.9998 4.0891 4.0891 4.1801 4.1801 4.3618 4.3618 4.6323 4.6323 4.8415 4.8415 5.1470 5.1470 5.3275 5.3275 5.6253 5.6253 5.6719 5.6719 5.8762 5.8762 5.9958 5.9958 7.6786 7.6786 7.9165 7.9165 8.1143 8.1143 8.5204 8.5204 10.6153 10.6153 11.0886 11.0886 11.3869 11.3869 11.6693 11.6693 k = 0.1548 0.0751-0.0529 ( 13107 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3117 -42.3117 -41.9673 -41.9673 -41.9669 -41.9669 -7.0267 -7.0267 -6.4352 -6.4352 -6.1955 -6.1955 -6.0302 -6.0302 -4.8823 -4.8823 -4.0670 -4.0670 1.1515 1.1515 1.4056 1.4056 1.8007 1.8007 1.9444 1.9444 2.0618 2.0618 2.2028 2.2028 2.6528 2.6528 3.0819 3.0819 3.3373 3.3373 3.5477 3.5477 3.8534 3.8534 3.9324 3.9324 4.0036 4.0036 4.0939 4.0939 4.1825 4.1825 4.3732 4.3732 4.6346 4.6346 4.8385 4.8385 5.1651 5.1651 5.3221 5.3221 5.6269 5.6269 5.7127 5.7127 5.8888 5.8888 6.0146 6.0146 7.7223 7.7223 7.9007 7.9007 8.1123 8.1123 8.5263 8.5263 10.5662 10.5662 11.0307 11.0307 11.3551 11.3551 11.6469 11.6469 k = 0.1429 0.0694-0.0488 ( 13108 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3117 -42.3117 -41.9673 -41.9673 -41.9669 -41.9669 -7.0441 -7.0441 -6.4360 -6.4360 -6.1926 -6.1926 -6.0330 -6.0330 -4.8940 -4.8940 -4.0590 -4.0590 1.1452 1.1452 1.4242 1.4242 1.8286 1.8286 1.9509 1.9509 2.0654 2.0654 2.1977 2.1977 2.6562 2.6562 3.0737 3.0737 3.3568 3.3568 3.5540 3.5540 3.8566 3.8566 3.9329 3.9329 4.0095 4.0095 4.1000 4.1000 4.1881 4.1881 4.3862 4.3862 4.6334 4.6334 4.8361 4.8361 5.1754 5.1754 5.3171 5.3171 5.6332 5.6332 5.7527 5.7527 5.9046 5.9046 6.0379 6.0379 7.7561 7.7561 7.8860 7.8860 8.1148 8.1148 8.5289 8.5289 10.5167 10.5167 10.9705 10.9705 11.3230 11.3230 11.6305 11.6305 k = 0.1310 0.0636-0.0448 ( 13104 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3116 -42.3116 -41.9673 -41.9673 -41.9669 -41.9669 -7.0604 -7.0604 -6.4368 -6.4368 -6.1898 -6.1898 -6.0358 -6.0358 -4.9052 -4.9052 -4.0518 -4.0518 1.1391 1.1391 1.4412 1.4412 1.8515 1.8515 1.9615 1.9615 2.0677 2.0677 2.1983 2.1983 2.6591 2.6591 3.0616 3.0616 3.3757 3.3757 3.5552 3.5552 3.8600 3.8600 3.9320 3.9320 4.0155 4.0155 4.1068 4.1068 4.1976 4.1976 4.4006 4.4006 4.6287 4.6287 4.8347 4.8347 5.1789 5.1789 5.3111 5.3111 5.6455 5.6455 5.7908 5.7908 5.9229 5.9229 6.0658 6.0658 7.7749 7.7749 7.8751 7.8751 8.1235 8.1235 8.5286 8.5286 10.4685 10.4685 10.9101 10.9101 11.2862 11.2862 11.6234 11.6234 k = 0.1190 0.0578-0.0407 ( 13100 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3116 -42.3116 -41.9673 -41.9673 -41.9669 -41.9669 -7.0754 -7.0754 -6.4375 -6.4375 -6.1870 -6.1870 -6.0384 -6.0384 -4.9157 -4.9157 -4.0453 -4.0453 1.1332 1.1332 1.4563 1.4563 1.8675 1.8675 1.9767 1.9767 2.0711 2.0711 2.2037 2.2037 2.6615 2.6615 3.0460 3.0460 3.3917 3.3917 3.5535 3.5535 3.8638 3.8638 3.9307 3.9307 4.0207 4.0207 4.1130 4.1130 4.2118 4.2118 4.4163 4.4163 4.6207 4.6207 4.8343 4.8343 5.1770 5.1770 5.3029 5.3029 5.6631 5.6631 5.8266 5.8266 5.9433 5.9433 6.0977 6.0977 7.7762 7.7762 7.8693 7.8693 8.1386 8.1386 8.5264 8.5264 10.4233 10.4233 10.8512 10.8512 11.2427 11.2427 11.6271 11.6271 k = 0.1071 0.0520-0.0366 ( 13098 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.0891 -7.0891 -6.4381 -6.4381 -6.1843 -6.1843 -6.0409 -6.0409 -4.9255 -4.9255 -4.0395 -4.0395 1.1278 1.1278 1.4694 1.4694 1.8766 1.8766 1.9931 1.9931 2.0797 2.0797 2.2125 2.2125 2.6635 2.6635 3.0272 3.0272 3.4011 3.4011 3.5531 3.5531 3.8684 3.8684 3.9296 3.9296 4.0252 4.0252 4.1175 4.1175 4.2300 4.2300 4.4332 4.4332 4.6101 4.6101 4.8348 4.8348 5.1713 5.1713 5.2923 5.2923 5.6840 5.6840 5.8599 5.8599 5.9659 5.9659 6.1323 6.1323 7.7649 7.7649 7.8649 7.8649 8.1586 8.1586 8.5234 8.5234 10.3821 10.3821 10.7955 10.7955 11.1929 11.1929 11.6408 11.6408 k = 0.0952 0.0462-0.0326 ( 13094 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.1015 -7.1015 -6.4386 -6.4386 -6.1817 -6.1817 -6.0433 -6.0433 -4.9345 -4.9345 -4.0344 -4.0344 1.1229 1.1229 1.4805 1.4805 1.8809 1.8809 2.0050 2.0050 2.0977 2.0977 2.2236 2.2236 2.6650 2.6650 3.0058 3.0058 3.4004 3.4004 3.5585 3.5585 3.8734 3.8734 3.9289 3.9289 4.0292 4.0292 4.1196 4.1196 4.2507 4.2507 4.4508 4.4508 4.5985 4.5985 4.8358 4.8358 5.1628 5.1628 5.2804 5.2804 5.7057 5.7057 5.8895 5.8895 5.9921 5.9921 6.1679 6.1679 7.7477 7.7477 7.8572 7.8572 8.1805 8.1805 8.5213 8.5213 10.3457 10.3457 10.7442 10.7442 11.1392 11.1392 11.6624 11.6624 k = 0.0833 0.0405-0.0285 ( 13104 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.1125 -7.1125 -6.4390 -6.4390 -6.1792 -6.1792 -6.0455 -6.0455 -4.9426 -4.9426 -4.0300 -4.0300 1.1186 1.1186 1.4895 1.4895 1.8823 1.8823 2.0107 2.0107 2.1248 2.1248 2.2359 2.2359 2.6662 2.6662 2.9824 2.9824 3.3894 3.3894 3.5711 3.5711 3.8788 3.8788 3.9284 3.9284 4.0333 4.0333 4.1196 4.1196 4.2716 4.2716 4.4675 4.4675 4.5888 4.5888 4.8366 4.8366 5.1519 5.1519 5.2684 5.2684 5.7263 5.7263 5.9139 5.9139 6.0233 6.0233 6.2025 6.2025 7.7290 7.7290 7.8452 7.8452 8.2008 8.2008 8.5213 8.5213 10.3144 10.3144 10.6985 10.6985 11.0843 11.0843 11.6890 11.6890 k = 0.0714 0.0347-0.0244 ( 13111 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3145 -42.3145 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.1221 -7.1221 -6.4394 -6.4394 -6.1770 -6.1770 -6.0475 -6.0475 -4.9498 -4.9498 -4.0262 -4.0262 1.1149 1.1149 1.4968 1.4968 1.8824 1.8824 2.0124 2.0124 2.1569 2.1569 2.2488 2.2488 2.6671 2.6671 2.9576 2.9576 3.3715 3.3715 3.5886 3.5886 3.8844 3.8844 3.9280 3.9280 4.0376 4.0376 4.1178 4.1178 4.2914 4.2914 4.4791 4.4791 4.5858 4.5858 4.8366 4.8366 5.1390 5.1390 5.2575 5.2575 5.7447 5.7447 5.9329 5.9329 6.0592 6.0592 6.2342 6.2342 7.7113 7.7113 7.8293 7.8293 8.2172 8.2172 8.5245 8.5245 10.2882 10.2882 10.6591 10.6591 11.0307 11.0307 11.7183 11.7183 k = 0.0595 0.0289-0.0204 ( 13129 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3145 -42.3145 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.1302 -7.1302 -6.4397 -6.4397 -6.1750 -6.1750 -6.0492 -6.0492 -4.9560 -4.9560 -4.0230 -4.0230 1.1117 1.1117 1.5024 1.5024 1.8817 1.8817 2.0125 2.0125 2.1898 2.1898 2.2620 2.2620 2.6679 2.6679 2.9322 2.9322 3.3507 3.3507 3.6078 3.6078 3.8899 3.8899 3.9276 3.9276 4.0425 4.0425 4.1143 4.1143 4.3091 4.3091 4.4807 4.4807 4.5948 4.5948 4.8352 4.8352 5.1247 5.1247 5.2484 5.2484 5.7604 5.7604 5.9470 5.9470 6.0980 6.0980 6.2612 6.2612 7.6963 7.6963 7.8106 7.8106 8.2285 8.2285 8.5309 8.5309 10.2669 10.2669 10.6267 10.6267 10.9805 10.9805 11.7481 11.7481 k = 0.0476 0.0231-0.0163 ( 13135 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3145 -42.3145 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.1369 -7.1369 -6.4400 -6.4400 -6.1733 -6.1733 -6.0507 -6.0507 -4.9612 -4.9612 -4.0204 -4.0204 1.1092 1.1092 1.5066 1.5066 1.8807 1.8807 2.0121 2.0121 2.2200 2.2200 2.2755 2.2755 2.6686 2.6686 2.9075 2.9075 3.3302 3.3302 3.6262 3.6262 3.8952 3.8952 3.9271 3.9271 4.0481 4.0481 4.1094 4.1094 4.3246 4.3246 4.4730 4.4730 4.6146 4.6146 4.8316 4.8316 5.1100 5.1100 5.2414 5.2414 5.7730 5.7730 5.9575 5.9575 6.1369 6.1369 6.2823 6.2823 7.6849 7.6849 7.7904 7.7904 8.2352 8.2352 8.5394 8.5394 10.2500 10.2500 10.6015 10.6015 10.9358 10.9358 11.7765 11.7765 k = 0.0357 0.0173-0.0122 ( 13131 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3145 -42.3145 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.1422 -7.1422 -6.4402 -6.4402 -6.1720 -6.1720 -6.0519 -6.0519 -4.9652 -4.9652 -4.0184 -4.0184 1.1073 1.1073 1.5096 1.5096 1.8798 1.8798 2.0116 2.0116 2.2441 2.2441 2.2899 2.2899 2.6693 2.6693 2.8848 2.8848 3.3123 3.3123 3.6423 3.6423 3.9001 3.9001 3.9263 3.9263 4.0545 4.0545 4.1031 4.1031 4.3381 4.3381 4.4609 4.4609 4.6395 4.6395 4.8258 4.8258 5.0962 5.0962 5.2363 5.2363 5.7828 5.7828 5.9650 5.9650 6.1734 6.1734 6.2964 6.2964 7.6779 7.6779 7.7702 7.7702 8.2384 8.2384 8.5486 8.5486 10.2373 10.2373 10.5832 10.5832 10.8983 10.8983 11.8022 11.8022 k = 0.0238 0.0116-0.0081 ( 13129 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3145 -42.3145 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.1459 -7.1459 -6.4403 -6.4403 -6.1709 -6.1709 -6.0528 -6.0528 -4.9681 -4.9681 -4.0170 -4.0170 1.1060 1.1060 1.5116 1.5116 1.8791 1.8791 2.0111 2.0111 2.2600 2.2600 2.3042 2.3042 2.6700 2.6700 2.8661 2.8661 3.2984 3.2984 3.6545 3.6545 3.9043 3.9043 3.9253 3.9253 4.0616 4.0616 4.0959 4.0959 4.3493 4.3493 4.4485 4.4485 4.6640 4.6640 4.8179 4.8179 5.0850 5.0850 5.2329 5.2329 5.7896 5.7896 5.9702 5.9702 6.2045 6.2045 6.3035 6.3035 7.6751 7.6751 7.7520 7.7520 8.2396 8.2396 8.5565 8.5565 10.2283 10.2283 10.5711 10.5711 10.8698 10.8698 11.8237 11.8237 k = 0.0119 0.0058-0.0041 ( 13112 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.1482 -7.1482 -6.4404 -6.4404 -6.1703 -6.1703 -6.0533 -6.0533 -4.9699 -4.9699 -4.0162 -4.0162 1.1052 1.1052 1.5127 1.5127 1.8787 1.8787 2.0109 2.0109 2.2684 2.2684 2.3153 2.3153 2.6706 2.6706 2.8537 2.8537 3.2897 3.2897 3.6622 3.6622 3.9074 3.9074 3.9244 3.9244 4.0691 4.0691 4.0882 4.0882 4.3574 4.3574 4.4390 4.4390 4.6828 4.6828 4.8103 4.8103 5.0777 5.0777 5.2309 5.2309 5.7937 5.7937 5.9732 5.9732 6.2266 6.2266 6.3052 6.3052 7.6755 7.6755 7.7385 7.7385 8.2398 8.2398 8.5619 8.5619 10.2230 10.2230 10.5645 10.5645 10.8520 10.8520 11.8389 11.8389 k = 0.0000 0.0000 0.0000 ( 13115 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.1489 -7.1489 -6.4404 -6.4404 -6.1701 -6.1701 -6.0535 -6.0535 -4.9705 -4.9705 -4.0159 -4.0159 1.1049 1.1049 1.5131 1.5131 1.8785 1.8785 2.0108 2.0108 2.2711 2.2711 2.3194 2.3194 2.6709 2.6709 2.8493 2.8493 3.2868 3.2868 3.6649 3.6649 3.9085 3.9085 3.9239 3.9239 4.0743 4.0743 4.0829 4.0829 4.3605 4.3605 4.4353 4.4353 4.6901 4.6901 4.8069 4.8069 5.0752 5.0752 5.2303 5.2303 5.7951 5.7951 5.9741 5.9741 6.2351 6.2351 6.3048 6.3048 7.6762 7.6762 7.7333 7.7333 8.2398 8.2398 8.5638 8.5638 10.2213 10.2213 10.5624 10.5624 10.8458 10.8458 11.8446 11.8446 k = 0.0000 0.0000 0.0000 ( 13115 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.1489 -7.1489 -6.4404 -6.4404 -6.1701 -6.1701 -6.0535 -6.0535 -4.9705 -4.9705 -4.0159 -4.0159 1.1049 1.1049 1.5131 1.5131 1.8785 1.8785 2.0108 2.0108 2.2711 2.2711 2.3194 2.3194 2.6709 2.6709 2.8493 2.8493 3.2868 3.2868 3.6649 3.6649 3.9085 3.9085 3.9239 3.9239 4.0743 4.0743 4.0829 4.0829 4.3605 4.3605 4.4353 4.4353 4.6901 4.6901 4.8069 4.8069 5.0752 5.0752 5.2303 5.2303 5.7951 5.7951 5.9741 5.9741 6.2351 6.2351 6.3048 6.3048 7.6762 7.6762 7.7333 7.7333 8.2398 8.2398 8.5638 8.5638 10.2213 10.2213 10.5624 10.5624 10.8458 10.8458 11.8446 11.8446 k = 0.0000 0.0000 0.0138 ( 13115 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.1480 -7.1480 -6.4416 -6.4416 -6.1727 -6.1727 -6.0518 -6.0518 -4.9686 -4.9686 -4.0161 -4.0161 1.1037 1.1037 1.5101 1.5101 1.8784 1.8784 2.0088 2.0088 2.2706 2.2706 2.3194 2.3194 2.6706 2.6706 2.8547 2.8547 3.2916 3.2916 3.6649 3.6649 3.9074 3.9074 3.9253 3.9253 4.0737 4.0737 4.0835 4.0835 4.3585 4.3585 4.4359 4.4359 4.6898 4.6898 4.8079 4.8079 5.0753 5.0753 5.2297 5.2297 5.7957 5.7957 5.9733 5.9733 6.2292 6.2292 6.3056 6.3056 7.6735 7.6735 7.7389 7.7389 8.2409 8.2409 8.5610 8.5610 10.2240 10.2240 10.5591 10.5591 10.8499 10.8499 11.8352 11.8352 k = 0.0000 0.0000 0.0277 ( 13113 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.1453 -7.1453 -6.4452 -6.4452 -6.1801 -6.1801 -6.0472 -6.0472 -4.9632 -4.9632 -4.0165 -4.0165 1.1001 1.1001 1.5010 1.5010 1.8781 1.8781 2.0034 2.0034 2.2695 2.2695 2.3193 2.3193 2.6698 2.6698 2.8702 2.8702 3.3060 3.3060 3.6649 3.6649 3.9048 3.9048 3.9286 3.9286 4.0724 4.0724 4.0850 4.0850 4.3530 4.3530 4.4377 4.4377 4.6888 4.6888 4.8110 4.8110 5.0754 5.0754 5.2283 5.2283 5.7975 5.7975 5.9707 5.9707 6.2131 6.2131 6.3067 6.3067 7.6682 7.6682 7.7530 7.7530 8.2439 8.2439 8.5528 8.5528 10.2323 10.2323 10.5496 10.5496 10.8617 10.8617 11.8112 11.8112 k = 0.0000 0.0000 0.0415 ( 13112 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.1407 -7.1407 -6.4511 -6.4511 -6.1910 -6.1910 -6.0405 -6.0405 -4.9544 -4.9544 -4.0172 -4.0172 1.0944 1.0944 1.4859 1.4859 1.8777 1.8777 1.9954 1.9954 2.2683 2.2683 2.3189 2.3189 2.6691 2.6691 2.8943 2.8943 3.3293 3.3293 3.6649 3.6649 3.9016 3.9016 3.9331 3.9331 4.0707 4.0707 4.0869 4.0869 4.3446 4.3446 4.4401 4.4401 4.6876 4.6876 4.8156 4.8156 5.0752 5.0752 5.2265 5.2265 5.8003 5.8003 5.9662 5.9662 6.1893 6.1893 6.3060 6.3060 7.6635 7.6635 7.7717 7.7717 8.2488 8.2488 8.5401 8.5401 10.2460 10.2460 10.5344 10.5344 10.8800 10.8800 11.7795 11.7795 k = 0.0000 0.0000 0.0553 ( 13123 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3145 -42.3145 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.1344 -7.1344 -6.4596 -6.4596 -6.2044 -6.2044 -6.0327 -6.0327 -4.9426 -4.9426 -4.0182 -4.0182 1.0866 1.0866 1.4650 1.4650 1.8773 1.8773 1.9858 1.9858 2.2677 2.2677 2.3181 2.3181 2.6686 2.6686 2.9249 2.9249 3.3602 3.3602 3.6649 3.6649 3.8980 3.8980 3.9384 3.9384 4.0691 4.0691 4.0891 4.0891 4.3338 4.3338 4.4429 4.4429 4.6864 4.6864 4.8213 4.8213 5.0742 5.0742 5.2255 5.2255 5.8035 5.8035 5.9595 5.9595 6.1599 6.1599 6.3025 6.3025 7.6611 7.6611 7.7927 7.7927 8.2549 8.2549 8.5241 8.5241 10.2651 10.2651 10.5144 10.5144 10.9027 10.9027 11.7455 11.7455 k = 0.0000 0.0000 0.0692 ( 13119 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.1263 -7.1263 -6.4706 -6.4706 -6.2193 -6.2193 -6.0242 -6.0242 -4.9281 -4.9281 -4.0194 -4.0194 1.0772 1.0772 1.4389 1.4389 1.8769 1.8769 1.9759 1.9759 2.2681 2.2681 2.3171 2.3171 2.6683 2.6683 2.9604 2.9604 3.3972 3.3972 3.6650 3.6650 3.8943 3.8943 3.9444 3.9444 4.0678 4.0678 4.0916 4.0916 4.3216 4.3216 4.4459 4.4459 4.6856 4.6856 4.8277 4.8277 5.0717 5.0717 5.2261 5.2261 5.8069 5.8069 5.9500 5.9500 6.1269 6.1269 6.2954 6.2954 7.6613 7.6613 7.8146 7.8146 8.2616 8.2616 8.5067 8.5067 10.2894 10.2894 10.4908 10.4908 10.9273 10.9273 11.7132 11.7132 k = 0.0000 0.0000 0.0830 ( 13119 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3145 -42.3145 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.1164 -7.1164 -6.4842 -6.4842 -6.2346 -6.2346 -6.0156 -6.0156 -4.9115 -4.9115 -4.0209 -4.0209 1.0665 1.0665 1.4081 1.4081 1.8766 1.8766 1.9663 1.9663 2.2694 2.2694 2.3163 2.3163 2.6683 2.6683 2.9991 2.9991 3.4384 3.4384 3.6651 3.6651 3.8905 3.8905 3.9510 3.9510 4.0671 4.0671 4.0945 4.0945 4.3085 4.3085 4.4489 4.4489 4.6854 4.6854 4.8342 4.8342 5.0673 5.0673 5.2294 5.2294 5.8101 5.8101 5.9367 5.9367 6.0926 6.0926 6.2845 6.2845 7.6642 7.6642 7.8360 7.8360 8.2678 8.2678 8.4901 8.4901 10.3184 10.3184 10.4648 10.4648 10.9504 10.9504 11.6862 11.6862 k = 0.0000 0.0000 0.0968 ( 13123 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3145 -42.3145 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.1048 -7.1048 -6.5005 -6.5005 -6.2498 -6.2498 -6.0070 -6.0070 -4.8934 -4.8934 -4.0224 -4.0224 1.0548 1.0548 1.3739 1.3739 1.8766 1.8766 1.9575 1.9575 2.2716 2.2716 2.3162 2.3162 2.6682 2.6682 3.0399 3.0399 3.4815 3.4815 3.6653 3.6653 3.8867 3.8867 3.9580 3.9580 4.0673 4.0673 4.0979 4.0979 4.2956 4.2956 4.4519 4.4519 4.6861 4.6861 4.8406 4.8406 5.0610 5.0610 5.2355 5.2355 5.8125 5.8125 5.9182 5.9182 6.0598 6.0598 6.2696 6.2696 7.6697 7.6697 7.8561 7.8561 8.2720 8.2720 8.4769 8.4769 10.3508 10.3508 10.4384 10.4384 10.9687 10.9687 11.6679 11.6679 k = 0.0000 0.0000 0.1107 ( 13120 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3145 -42.3145 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.0915 -7.0915 -6.5195 -6.5195 -6.2644 -6.2644 -5.9986 -5.9986 -4.8742 -4.8742 -4.0241 -4.0241 1.0425 1.0425 1.3373 1.3373 1.8769 1.8769 1.9496 1.9496 2.2742 2.2742 2.3172 2.3172 2.6681 2.6681 3.0816 3.0816 3.5242 3.5242 3.6657 3.6657 3.8830 3.8830 3.9652 3.9652 4.0689 4.0689 4.1021 4.1021 4.2835 4.2835 4.4552 4.4552 4.6875 4.6875 4.8467 4.8467 5.0530 5.0530 5.2443 5.2443 5.8136 5.8136 5.8933 5.8933 6.0315 6.0315 6.2506 6.2506 7.6773 7.6773 7.8738 7.8738 8.2729 8.2729 8.4695 8.4695 10.3791 10.3791 10.4194 10.4194 10.9790 10.9790 11.6612 11.6612 k = 0.0000 0.0000 0.1245 ( 13120 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3145 -42.3145 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.0767 -7.0767 -6.5408 -6.5408 -6.2779 -6.2779 -5.9905 -5.9905 -4.8547 -4.8547 -4.0259 -4.0259 1.0301 1.0301 1.2997 1.2997 1.8776 1.8776 1.9426 1.9426 2.2766 2.2766 2.3200 2.3200 2.6677 2.6677 3.1234 3.1234 3.5635 3.5635 3.6669 3.6669 3.8796 3.8796 3.9719 3.9719 4.0720 4.0720 4.1072 4.1072 4.2734 4.2734 4.4588 4.4588 4.6898 4.6898 4.8523 4.8523 5.0441 5.0441 5.2552 5.2552 5.8113 5.8113 5.8644 5.8644 6.0088 6.0088 6.2275 6.2275 7.6868 7.6868 7.8884 7.8884 8.2700 8.2700 8.4693 8.4693 10.3706 10.3706 10.4405 10.4405 10.9797 10.9797 11.6678 11.6678 k = 0.0000 0.0000 0.1383 ( 13118 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3145 -42.3145 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.0602 -7.0602 -6.5644 -6.5644 -6.2901 -6.2901 -5.9829 -5.9829 -4.8352 -4.8352 -4.0277 -4.0277 1.0177 1.0177 1.2621 1.2621 1.8785 1.8785 1.9363 1.9363 2.2782 2.2782 2.3249 2.3249 2.6670 2.6670 3.1646 3.1646 3.5957 3.5957 3.6705 3.6705 3.8767 3.8767 3.9779 3.9779 4.0765 4.0765 4.1134 4.1134 4.2662 4.2662 4.4633 4.4633 4.6929 4.6929 4.8571 4.8571 5.0347 5.0347 5.2671 5.2671 5.7977 5.7977 5.8422 5.8422 5.9909 5.9909 6.2005 6.2005 7.6977 7.6977 7.8994 7.8994 8.2643 8.2643 8.4758 8.4758 10.3462 10.3462 10.4806 10.4806 10.9712 10.9712 11.6872 11.6872 k = 0.0000 0.0000 0.1522 ( 13117 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3145 -42.3145 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.0423 -7.0423 -6.5898 -6.5898 -6.3008 -6.3008 -5.9758 -5.9758 -4.8162 -4.8162 -4.0295 -4.0295 1.0059 1.0059 1.2258 1.2258 1.8796 1.8796 1.9306 1.9306 2.2791 2.2791 2.3317 2.3317 2.6661 2.6661 3.2044 3.2044 3.6157 3.6157 3.6800 3.6800 3.8745 3.8745 3.9827 3.9827 4.0819 4.0819 4.1205 4.1205 4.2629 4.2629 4.4690 4.4690 4.6967 4.6967 4.8610 4.8610 5.0255 5.0255 5.2788 5.2788 5.7681 5.7681 5.8350 5.8350 5.9759 5.9759 6.1698 6.1698 7.7095 7.7095 7.9065 7.9065 8.2574 8.2574 8.4874 8.4874 10.3216 10.3216 10.5231 10.5231 10.9558 10.9558 11.7171 11.7171 k = 0.0000 0.0000 0.1660 ( 13119 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3145 -42.3145 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.0231 -7.0231 -6.6166 -6.6166 -6.3102 -6.3102 -5.9693 -5.9693 -4.7984 -4.7984 -4.0312 -4.0312 0.9948 0.9948 1.1915 1.1915 1.8810 1.8810 1.9254 1.9254 2.2793 2.2793 2.3400 2.3400 2.6648 2.6648 3.2422 3.2422 3.6219 3.6219 3.6958 3.6958 3.8734 3.8734 3.9865 3.9865 4.0875 4.0875 4.1277 4.1277 4.2640 4.2640 4.4767 4.4767 4.7014 4.7014 4.8634 4.8634 5.0173 5.0173 5.2888 5.2888 5.7353 5.7353 5.8343 5.8343 5.9624 5.9624 6.1360 6.1360 7.7218 7.7218 7.9099 7.9099 8.2510 8.2510 8.5021 8.5021 10.2990 10.2990 10.5645 10.5645 10.9370 10.9370 11.7541 11.7541 k = 0.0000 0.0000 0.1798 ( 13118 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3145 -42.3145 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.0026 -7.0026 -6.6443 -6.6443 -6.3181 -6.3181 -5.9635 -5.9635 -4.7820 -4.7820 -4.0328 -4.0328 0.9847 0.9847 1.1602 1.1602 1.8827 1.8827 1.9206 1.9206 2.2791 2.2791 2.3490 2.3490 2.6633 2.6633 3.2775 3.2775 3.6191 3.6191 3.7130 3.7130 3.8735 3.8735 3.9895 3.9895 4.0926 4.0926 4.1342 4.1342 4.2686 4.2686 4.4869 4.4869 4.7070 4.7070 4.8635 4.8635 5.0108 5.0108 5.2953 5.2953 5.7073 5.7073 5.8355 5.8355 5.9494 5.9494 6.1000 6.1000 7.7342 7.7342 7.9100 7.9100 8.2459 8.2459 8.5181 8.5181 10.2789 10.2789 10.6020 10.6020 10.9188 10.9188 11.7947 11.7947 k = 0.0000 0.0000 0.1937 ( 13118 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3145 -42.3145 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -6.9812 -6.9812 -6.6723 -6.6723 -6.3247 -6.3247 -5.9585 -5.9585 -4.7675 -4.7675 -4.0342 -4.0342 0.9759 0.9759 1.1326 1.1326 1.8845 1.8845 1.9162 1.9162 2.2787 2.2787 2.3582 2.3582 2.6616 2.6616 3.3098 3.3098 3.6115 3.6115 3.7278 3.7278 3.8746 3.8746 3.9920 3.9920 4.0968 4.0968 4.1398 4.1398 4.2751 4.2751 4.4999 4.4999 4.7139 4.7139 4.8603 4.8603 5.0068 5.0068 5.2969 5.2969 5.6882 5.6882 5.8377 5.8377 5.9360 5.9360 6.0633 6.0633 7.7462 7.7462 7.9076 7.9076 8.2424 8.2424 8.5340 8.5340 10.2618 10.2618 10.6326 10.6326 10.9050 10.9050 11.8356 11.8356 k = 0.0000 0.0000 0.2075 ( 13125 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3145 -42.3145 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -6.9593 -6.9593 -6.7001 -6.7001 -6.3300 -6.3300 -5.9543 -5.9543 -4.7552 -4.7552 -4.0354 -4.0354 0.9685 0.9685 1.1092 1.1092 1.8864 1.8864 1.9122 1.9122 2.2783 2.2783 2.3667 2.3667 2.6598 2.6598 3.3387 3.3387 3.6014 3.6014 3.7394 3.7394 3.8763 3.8763 3.9943 3.9943 4.1000 4.1000 4.1450 4.1450 4.2811 4.2811 4.5151 4.5151 4.7224 4.7224 4.8530 4.8530 5.0056 5.0056 5.2931 5.2931 5.6802 5.6802 5.8403 5.8403 5.9215 5.9215 6.0280 6.0280 7.7574 7.7574 7.9037 7.9037 8.2402 8.2402 8.5485 8.5485 10.2479 10.2479 10.6539 10.6539 10.8985 10.8985 11.8736 11.8736 k = 0.0000 0.0000 0.2213 ( 13122 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3145 -42.3145 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -6.9375 -6.9375 -6.7267 -6.7267 -6.3341 -6.3341 -5.9509 -5.9509 -4.7453 -4.7453 -4.0364 -4.0364 0.9626 0.9626 1.0905 1.0905 1.8885 1.8885 1.9085 1.9085 2.2779 2.2779 2.3740 2.3740 2.6583 2.6583 3.3635 3.3635 3.5902 3.5902 3.7478 3.7478 3.8783 3.8783 3.9963 3.9963 4.1021 4.1021 4.1501 4.1501 4.2853 4.2853 4.5306 4.5306 4.7332 4.7332 4.8414 4.8414 5.0069 5.0069 5.2852 5.2852 5.6826 5.6826 5.8426 5.8426 5.9053 5.9053 5.9972 5.9972 7.7671 7.7671 7.8991 7.8991 8.2391 8.2391 8.5607 8.5607 10.2373 10.2373 10.6655 10.6655 10.8993 10.8993 11.8999 11.8999 k = 0.0000 0.0000 0.2352 ( 13126 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3145 -42.3145 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -6.9172 -6.9172 -6.7505 -6.7505 -6.3370 -6.3370 -5.9485 -5.9485 -4.7381 -4.7381 -4.0371 -4.0371 0.9583 0.9583 1.0768 1.0768 1.8907 1.8907 1.9052 1.9052 2.2775 2.2775 2.3797 2.3797 2.6569 2.6569 3.3831 3.3831 3.5796 3.5796 3.7534 3.7534 3.8801 3.8801 3.9978 3.9978 4.1033 4.1033 4.1547 4.1547 4.2877 4.2877 4.5442 4.5442 4.7466 4.7466 4.8261 4.8261 5.0097 5.0097 5.2760 5.2760 5.6925 5.6925 5.8433 5.8433 5.8883 5.8883 5.9743 5.9743 7.7747 7.7747 7.8949 7.8949 8.2386 8.2386 8.5699 8.5699 10.2297 10.2297 10.6698 10.6698 10.9046 10.9046 11.8814 11.8814 k = 0.0000 0.0000 0.2490 ( 13126 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3145 -42.3145 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -6.9013 -6.9013 -6.7686 -6.7686 -6.3387 -6.3387 -5.9470 -5.9470 -4.7338 -4.7338 -4.0375 -4.0375 0.9558 0.9558 1.0685 1.0685 1.8926 1.8926 1.9026 1.9026 2.2773 2.2773 2.3833 2.3833 2.6561 2.6561 3.3961 3.3961 3.5719 3.5719 3.7567 3.7567 3.8812 3.8812 3.9988 3.9988 4.1038 4.1038 4.1580 4.1580 4.2886 4.2886 4.5533 4.5533 4.7619 4.7619 4.8091 4.8091 5.0123 5.0123 5.2688 5.2688 5.7041 5.7041 5.8409 5.8409 5.8755 5.8755 5.9608 5.9608 7.7797 7.7797 7.8919 7.8919 8.2384 8.2384 8.5757 8.5757 10.2253 10.2253 10.6706 10.6706 10.9100 10.9100 11.8692 11.8692 k = 0.0000 0.0000 0.2628 ( 13120 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3145 -42.3145 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -6.8949 -6.8949 -6.7757 -6.7757 -6.3393 -6.3393 -5.9465 -5.9465 -4.7323 -4.7323 -4.0377 -4.0377 0.9549 0.9549 1.0657 1.0657 1.8936 1.8936 1.9014 1.9014 2.2773 2.2773 2.3845 2.3845 2.6558 2.6558 3.4007 3.4007 3.5690 3.5690 3.7577 3.7577 3.8816 3.8816 3.9992 3.9992 4.1040 4.1040 4.1592 4.1592 4.2888 4.2888 4.5566 4.5566 4.7720 4.7720 4.7984 4.7984 5.0134 5.0134 5.2661 5.2661 5.7096 5.7096 5.8382 5.8382 5.8715 5.8715 5.9564 5.9564 7.7815 7.7815 7.8908 7.8908 8.2384 8.2384 8.5776 8.5776 10.2238 10.2238 10.6705 10.6705 10.9122 10.9122 11.8651 11.8651 k = 0.5000-0.0695 0.2073 ( 13164 PWs) bands (ev): -77.7722 -77.7722 -77.7722 -77.7722 -46.6197 -46.6197 -46.6196 -46.6196 -42.3133 -42.3133 -42.3131 -42.3131 -41.9674 -41.9674 -41.9673 -41.9673 -6.5019 -6.5019 -6.3777 -6.3777 -6.2282 -6.2282 -5.9429 -5.9429 -4.7474 -4.7474 -4.3276 -4.3276 1.2446 1.2446 1.3665 1.3665 1.8049 1.8049 1.8502 1.8502 1.9941 1.9941 2.2791 2.2791 2.4205 2.4205 2.4312 2.4312 2.8020 2.8020 3.1125 3.1125 3.5982 3.5982 3.8282 3.8282 4.0928 4.0928 4.2071 4.2071 4.3286 4.3286 4.3966 4.3966 4.4901 4.4901 4.5252 4.5252 4.7878 4.7878 4.8605 4.8605 4.9398 4.9398 5.0710 5.0710 5.6425 5.6425 6.0139 6.0139 7.5276 7.5276 7.6656 7.6656 8.0502 8.0502 8.5343 8.5343 11.5152 11.5152 11.8660 11.8660 11.8763 11.8763 12.3571 12.3571 k = 0.4875-0.0677 0.2021 ( 13157 PWs) bands (ev): -77.7722 -77.7722 -77.7722 -77.7722 -46.6197 -46.6197 -46.6196 -46.6196 -42.3133 -42.3133 -42.3130 -42.3130 -41.9674 -41.9674 -41.9673 -41.9673 -6.5041 -6.5041 -6.3771 -6.3771 -6.2278 -6.2278 -5.9430 -5.9430 -4.7477 -4.7477 -4.3268 -4.3268 1.2452 1.2452 1.3672 1.3672 1.8048 1.8048 1.8508 1.8508 1.9936 1.9936 2.2736 2.2736 2.4126 2.4126 2.4453 2.4453 2.8030 2.8030 3.1128 3.1128 3.5981 3.5981 3.8234 3.8234 4.0898 4.0898 4.2071 4.2071 4.3239 4.3239 4.4041 4.4041 4.4900 4.4900 4.5291 4.5291 4.7886 4.7886 4.8629 4.8629 4.9434 4.9434 5.0731 5.0731 5.6421 5.6421 6.0141 6.0141 7.5255 7.5255 7.6657 7.6657 8.0492 8.0492 8.5346 8.5346 11.5124 11.5124 11.8604 11.8604 11.8859 11.8859 12.3551 12.3551 k = 0.4750-0.0660 0.1970 ( 13148 PWs) bands (ev): -77.7722 -77.7722 -77.7722 -77.7722 -46.6197 -46.6197 -46.6196 -46.6196 -42.3133 -42.3133 -42.3130 -42.3130 -41.9674 -41.9674 -41.9673 -41.9673 -6.5106 -6.5106 -6.3756 -6.3756 -6.2268 -6.2268 -5.9433 -5.9433 -4.7488 -4.7488 -4.3245 -4.3245 1.2472 1.2472 1.3693 1.3693 1.8045 1.8045 1.8525 1.8525 1.9922 1.9922 2.2591 2.2591 2.4067 2.4067 2.4684 2.4684 2.8060 2.8060 3.1139 3.1139 3.5977 3.5977 3.8091 3.8091 4.0824 4.0824 4.2067 4.2067 4.3135 4.3135 4.4215 4.4215 4.4910 4.4910 4.5396 4.5396 4.7906 4.7906 4.8703 4.8703 4.9540 4.9540 5.0795 5.0795 5.6408 5.6408 6.0148 6.0148 7.5192 7.5192 7.6662 7.6662 8.0461 8.0461 8.5354 8.5354 11.5045 11.5045 11.8544 11.8544 11.9033 11.9033 12.3492 12.3492 k = 0.4625-0.0643 0.1918 ( 13148 PWs) bands (ev): -77.7722 -77.7722 -77.7722 -77.7722 -46.6197 -46.6197 -46.6196 -46.6196 -42.3133 -42.3133 -42.3130 -42.3130 -41.9674 -41.9674 -41.9673 -41.9673 -6.5207 -6.5207 -6.3735 -6.3735 -6.2252 -6.2252 -5.9437 -5.9437 -4.7505 -4.7505 -4.3208 -4.3208 1.2504 1.2504 1.3728 1.3728 1.8042 1.8042 1.8550 1.8550 1.9898 1.9898 2.2395 2.2395 2.4048 2.4048 2.4944 2.4944 2.8112 2.8112 3.1158 3.1158 3.5969 3.5969 3.7863 3.7863 4.0733 4.0733 4.2052 4.2052 4.3016 4.3016 4.4402 4.4402 4.4961 4.4961 4.5551 4.5551 4.7928 4.7928 4.8836 4.8836 4.9712 4.9712 5.0902 5.0902 5.6386 5.6386 6.0159 6.0159 7.5093 7.5093 7.6670 7.6670 8.0410 8.0410 8.5368 8.5368 11.4924 11.4924 11.8499 11.8499 11.9247 11.9247 12.3405 12.3405 k = 0.4500-0.0625 0.1866 ( 13144 PWs) bands (ev): -77.7722 -77.7722 -77.7722 -77.7722 -46.6197 -46.6197 -46.6196 -46.6196 -42.3134 -42.3134 -42.3129 -42.3129 -41.9674 -41.9674 -41.9673 -41.9673 -6.5339 -6.5339 -6.3713 -6.3713 -6.2230 -6.2230 -5.9443 -5.9443 -4.7529 -4.7529 -4.3156 -4.3156 1.2547 1.2547 1.3775 1.3775 1.8038 1.8038 1.8579 1.8579 1.9860 1.9860 2.2187 2.2187 2.4056 2.4056 2.5217 2.5217 2.8188 2.8188 3.1185 3.1185 3.5954 3.5954 3.7566 3.7566 4.0651 4.0651 4.2021 4.2021 4.2895 4.2895 4.4540 4.4540 4.5083 4.5083 4.5747 4.5747 4.7948 4.7948 4.9026 4.9026 4.9948 4.9948 5.1054 5.1054 5.6358 5.6358 6.0174 6.0174 7.4963 7.4963 7.6679 7.6679 8.0338 8.0338 8.5387 8.5387 11.4771 11.4771 11.8459 11.8459 11.9484 11.9484 12.3307 12.3307 k = 0.4375-0.0608 0.1814 ( 13138 PWs) bands (ev): -77.7722 -77.7722 -77.7722 -77.7722 -46.6198 -46.6198 -46.6195 -46.6195 -42.3134 -42.3134 -42.3129 -42.3129 -41.9674 -41.9674 -41.9672 -41.9672 -6.5495 -6.5495 -6.3693 -6.3693 -6.2205 -6.2205 -5.9451 -5.9451 -4.7560 -4.7560 -4.3091 -4.3091 1.2599 1.2599 1.3836 1.3836 1.8033 1.8033 1.8608 1.8608 1.9809 1.9809 2.1994 2.1994 2.4083 2.4083 2.5489 2.5489 2.8289 2.8289 3.1220 3.1220 3.5920 3.5920 3.7232 3.7232 4.0585 4.0585 4.1977 4.1977 4.2775 4.2775 4.4611 4.4611 4.5266 4.5266 4.5976 4.5976 4.7967 4.7967 4.9257 4.9257 5.0243 5.0243 5.1255 5.1255 5.6325 5.6325 6.0192 6.0192 7.4809 7.4809 7.6689 7.6689 8.0247 8.0247 8.5412 8.5412 11.4598 11.4598 11.8414 11.8414 11.9723 11.9723 12.3219 12.3219 k = 0.4250-0.0590 0.1762 ( 13142 PWs) bands (ev): -77.7722 -77.7722 -77.7722 -77.7722 -46.6198 -46.6198 -46.6195 -46.6195 -42.3135 -42.3135 -42.3128 -42.3128 -41.9674 -41.9674 -41.9672 -41.9672 -6.5673 -6.5673 -6.3678 -6.3678 -6.2177 -6.2177 -5.9460 -5.9460 -4.7596 -4.7596 -4.3014 -4.3014 1.2658 1.2658 1.3909 1.3909 1.8021 1.8021 1.8635 1.8635 1.9745 1.9745 2.1833 2.1833 2.4123 2.4123 2.5753 2.5753 2.8420 2.8420 3.1265 3.1265 3.5837 3.5837 3.6915 3.6915 4.0535 4.0535 4.1923 4.1923 4.2657 4.2657 4.4643 4.4643 4.5471 4.5471 4.6232 4.6232 4.7989 4.7989 4.9513 4.9513 5.0586 5.0586 5.1512 5.1512 5.6291 5.6291 6.0212 6.0212 7.4639 7.4639 7.6699 7.6699 8.0138 8.0138 8.5441 8.5441 11.4412 11.4412 11.8350 11.8350 11.9942 11.9942 12.3169 12.3169 k = 0.4125-0.0573 0.1710 ( 13134 PWs) bands (ev): -77.7722 -77.7722 -77.7722 -77.7722 -46.6198 -46.6198 -46.6195 -46.6195 -42.3135 -42.3135 -42.3127 -42.3127 -41.9674 -41.9674 -41.9672 -41.9672 -6.5866 -6.5866 -6.3669 -6.3669 -6.2149 -6.2149 -5.9472 -5.9472 -4.7637 -4.7637 -4.2927 -4.2927 1.2721 1.2721 1.3993 1.3993 1.7992 1.7992 1.8661 1.8661 1.9677 1.9677 2.1716 2.1716 2.4172 2.4172 2.6003 2.6003 2.8584 2.8584 3.1320 3.1320 3.5652 3.5652 3.6688 3.6688 4.0498 4.0498 4.1863 4.1863 4.2544 4.2544 4.4655 4.4655 4.5672 4.5672 4.6506 4.6506 4.8019 4.8019 4.9780 4.9780 5.0956 5.0956 5.1834 5.1834 5.6259 5.6259 6.0232 6.0232 7.4462 7.4462 7.6709 7.6709 8.0013 8.0013 8.5476 8.5476 11.4219 11.4219 11.8256 11.8256 12.0117 12.0117 12.3182 12.3182 k = 0.4000-0.0556 0.1659 ( 13132 PWs) bands (ev): -77.7722 -77.7722 -77.7722 -77.7722 -46.6198 -46.6198 -46.6195 -46.6195 -42.3136 -42.3136 -42.3127 -42.3127 -41.9674 -41.9674 -41.9672 -41.9672 -6.6074 -6.6074 -6.3666 -6.3666 -6.2120 -6.2120 -5.9485 -5.9485 -4.7684 -4.7684 -4.2829 -4.2829 1.2787 1.2787 1.4087 1.4087 1.7930 1.7930 1.8694 1.8694 1.9617 1.9617 2.1647 2.1647 2.4229 2.4229 2.6233 2.6233 2.8782 2.8782 3.1385 3.1385 3.5343 3.5343 3.6591 3.6591 4.0470 4.0470 4.1800 4.1800 4.2435 4.2435 4.4654 4.4654 4.5860 4.5860 4.6787 4.6787 4.8063 4.8063 5.0051 5.0051 5.1328 5.1328 5.2225 5.2225 5.6236 5.6236 6.0251 6.0251 7.4288 7.4288 7.6718 7.6718 7.9875 7.9875 8.5514 8.5514 11.4025 11.4025 11.8124 11.8124 12.0238 12.0238 12.3268 12.3268 k = 0.3875-0.0538 0.1607 ( 13134 PWs) bands (ev): -77.7722 -77.7722 -77.7722 -77.7722 -46.6198 -46.6198 -46.6194 -46.6194 -42.3136 -42.3136 -42.3126 -42.3126 -41.9674 -41.9674 -41.9672 -41.9672 -6.6292 -6.6292 -6.3668 -6.3668 -6.2093 -6.2093 -5.9500 -5.9500 -4.7735 -4.7735 -4.2724 -4.2724 1.2851 1.2851 1.4189 1.4189 1.7820 1.7820 1.8744 1.8744 1.9578 1.9578 2.1622 2.1622 2.4293 2.4293 2.6442 2.6442 2.9017 2.9017 3.1459 3.1459 3.4958 3.4958 3.6589 3.6589 4.0448 4.0448 4.1735 4.1735 4.2334 4.2334 4.4643 4.4643 4.6029 4.6029 4.7061 4.7061 4.8129 4.8129 5.0319 5.0319 5.1686 5.1686 5.2679 5.2679 5.6230 5.6230 6.0269 6.0269 7.4125 7.4125 7.6727 7.6727 7.9728 7.9728 8.5557 8.5557 11.3831 11.3831 11.7948 11.7948 12.0307 12.0307 12.3420 12.3420 k = 0.3750-0.0521 0.1555 ( 13136 PWs) bands (ev): -77.7722 -77.7722 -77.7722 -77.7722 -46.6198 -46.6198 -46.6194 -46.6194 -42.3137 -42.3137 -42.3126 -42.3126 -41.9674 -41.9674 -41.9672 -41.9672 -6.6519 -6.6519 -6.3677 -6.3677 -6.2068 -6.2068 -5.9518 -5.9518 -4.7790 -4.7790 -4.2611 -4.2611 1.2912 1.2912 1.4296 1.4296 1.7661 1.7661 1.8818 1.8818 1.9567 1.9567 2.1637 2.1637 2.4362 2.4362 2.6627 2.6627 2.9285 2.9285 3.1544 3.1544 3.4551 3.4551 3.6644 3.6644 4.0430 4.0430 4.1672 4.1672 4.2241 4.2241 4.4623 4.4623 4.6175 4.6175 4.7314 4.7314 4.8229 4.8229 5.0582 5.0582 5.2028 5.2028 5.3171 5.3171 5.6251 5.6251 6.0285 6.0285 7.3983 7.3983 7.6735 7.6735 7.9579 7.9579 8.5602 8.5602 11.3639 11.3639 11.7729 11.7729 12.0333 12.0333 12.3613 12.3613 k = 0.3625-0.0504 0.1503 ( 13147 PWs) bands (ev): -77.7723 -77.7723 -77.7722 -77.7722 -46.6199 -46.6199 -46.6194 -46.6194 -42.3137 -42.3137 -42.3125 -42.3125 -41.9674 -41.9674 -41.9672 -41.9672 -6.6752 -6.6752 -6.3690 -6.3690 -6.2046 -6.2046 -5.9537 -5.9537 -4.7849 -4.7849 -4.2493 -4.2493 1.2968 1.2968 1.4406 1.4406 1.7462 1.7462 1.8915 1.8915 1.9587 1.9587 2.1685 2.1685 2.4434 2.4434 2.6790 2.6790 2.9580 2.9580 3.1636 3.1636 3.4158 3.4158 3.6733 3.6733 4.0415 4.0415 4.1611 4.1611 4.2158 4.2158 4.4595 4.4595 4.6295 4.6295 4.7529 4.7529 4.8374 4.8374 5.0836 5.0836 5.2356 5.2356 5.3671 5.3671 5.6313 5.6313 6.0298 6.0298 7.3869 7.3869 7.6743 7.6743 7.9431 7.9431 8.5648 8.5648 11.3449 11.3449 11.7473 11.7473 12.0324 12.0324 12.3817 12.3817 k = 0.3500-0.0486 0.1451 ( 13146 PWs) bands (ev): -77.7723 -77.7723 -77.7722 -77.7722 -46.6199 -46.6199 -46.6194 -46.6194 -42.3138 -42.3138 -42.3125 -42.3125 -41.9674 -41.9674 -41.9671 -41.9671 -6.6991 -6.6991 -6.3707 -6.3707 -6.2026 -6.2026 -5.9559 -5.9559 -4.7912 -4.7912 -4.2370 -4.2370 1.3015 1.3015 1.4514 1.4514 1.7238 1.7238 1.9024 1.9024 1.9642 1.9642 2.1761 2.1761 2.4511 2.4511 2.6932 2.6932 2.9887 2.9887 3.1734 3.1734 3.3806 3.3806 3.6848 3.6848 4.0405 4.0405 4.1555 4.1555 4.2086 4.2086 4.4559 4.4559 4.6385 4.6385 4.7700 4.7700 4.8569 4.8569 5.1074 5.1074 5.2673 5.2673 5.4151 5.4151 5.6430 5.6430 6.0309 6.0309 7.3789 7.3789 7.6751 7.6751 7.9292 7.9292 8.5696 8.5696 11.3262 11.3262 11.7190 11.7190 12.0283 12.0283 12.4008 12.4008 k = 0.3375-0.0469 0.1399 ( 13150 PWs) bands (ev): -77.7723 -77.7723 -77.7722 -77.7722 -46.6199 -46.6199 -46.6193 -46.6193 -42.3138 -42.3138 -42.3124 -42.3124 -41.9674 -41.9674 -41.9671 -41.9671 -6.7233 -6.7233 -6.3728 -6.3728 -6.2010 -6.2010 -5.9583 -5.9583 -4.7978 -4.7978 -4.2244 -4.2244 1.3054 1.3054 1.4615 1.4615 1.7008 1.7008 1.9131 1.9131 1.9739 1.9739 2.1864 2.1864 2.4591 2.4591 2.7056 2.7056 3.0182 3.0182 3.1838 3.1838 3.3525 3.3525 3.6983 3.6983 4.0398 4.0398 4.1506 4.1506 4.2026 4.2026 4.4516 4.4516 4.6445 4.6445 4.7831 4.7831 4.8801 4.8801 5.1293 5.1293 5.2979 5.2979 5.4589 5.4589 5.6615 5.6615 6.0321 6.0321 7.3749 7.3749 7.6761 7.6761 7.9167 7.9167 8.5744 8.5744 11.3076 11.3076 11.6888 11.6888 12.0204 12.0204 12.4163 12.4163 k = 0.3250-0.0452 0.1348 ( 13144 PWs) bands (ev): -77.7723 -77.7723 -77.7722 -77.7722 -46.6199 -46.6199 -46.6193 -46.6193 -42.3139 -42.3139 -42.3124 -42.3124 -41.9674 -41.9674 -41.9671 -41.9671 -6.7478 -6.7478 -6.3752 -6.3752 -6.1996 -6.1996 -5.9609 -5.9609 -4.8048 -4.8048 -4.2117 -4.2117 1.3082 1.3082 1.4705 1.4705 1.6788 1.6788 1.9221 1.9221 1.9880 1.9880 2.1991 2.1991 2.4674 2.4674 2.7166 2.7166 3.0424 3.0424 3.1950 3.1950 3.3352 3.3352 3.7135 3.7135 4.0395 4.0395 4.1464 4.1464 4.1978 4.1978 4.4466 4.4466 4.6473 4.6473 4.7931 4.7931 4.9052 4.9052 5.1489 5.1489 5.3273 5.3273 5.4975 5.4975 5.6867 5.6867 6.0337 6.0337 7.3753 7.3753 7.6774 7.6774 7.9061 7.9061 8.5791 8.5791 11.2888 11.2888 11.6575 11.6575 12.0081 12.0081 12.4266 12.4266 k = 0.3125-0.0434 0.1296 ( 13146 PWs) bands (ev): -77.7723 -77.7723 -77.7722 -77.7722 -46.6199 -46.6199 -46.6193 -46.6193 -42.3139 -42.3139 -42.3123 -42.3123 -41.9674 -41.9674 -41.9671 -41.9671 -6.7723 -6.7723 -6.3779 -6.3779 -6.1985 -6.1985 -5.9637 -5.9637 -4.8120 -4.8120 -4.1988 -4.1988 1.3097 1.3097 1.4775 1.4775 1.6593 1.6593 1.9292 1.9292 2.0061 2.0061 2.2144 2.2144 2.4760 2.4760 2.7265 2.7265 3.0563 3.0563 3.2084 3.2084 3.3323 3.3323 3.7303 3.7303 4.0397 4.0397 4.1432 4.1432 4.1944 4.1944 4.4408 4.4408 4.6473 4.6473 4.8004 4.8004 4.9306 4.9306 5.1659 5.1659 5.3555 5.3555 5.5317 5.5317 5.7169 5.7169 6.0364 6.0364 7.3800 7.3800 7.6795 7.6795 7.8978 7.8978 8.5836 8.5836 11.2696 11.2696 11.6254 11.6254 11.9904 11.9904 12.4302 12.4302 k = 0.3000-0.0417 0.1244 ( 13145 PWs) bands (ev): -77.7723 -77.7723 -77.7722 -77.7722 -46.6199 -46.6199 -46.6193 -46.6193 -42.3140 -42.3140 -42.3123 -42.3123 -41.9674 -41.9674 -41.9671 -41.9671 -6.7968 -6.7968 -6.3808 -6.3808 -6.1976 -6.1976 -5.9668 -5.9668 -4.8195 -4.8195 -4.1859 -4.1859 1.3098 1.3098 1.4819 1.4819 1.6439 1.6439 1.9348 1.9348 2.0265 2.0265 2.2323 2.2323 2.4849 2.4849 2.7357 2.7357 3.0574 3.0574 3.2248 3.2248 3.3449 3.3449 3.7483 3.7483 4.0403 4.0403 4.1413 4.1413 4.1925 4.1925 4.4344 4.4344 4.6450 4.6450 4.8049 4.8049 4.9553 4.9553 5.1808 5.1808 5.3826 5.3826 5.5629 5.5629 5.7490 5.7490 6.0408 6.0408 7.3891 7.3891 7.6826 7.6826 7.8921 7.8921 8.5879 8.5879 11.2494 11.2494 11.5928 11.5928 11.9668 11.9668 12.4258 12.4258 k = 0.2875-0.0399 0.1192 ( 13142 PWs) bands (ev): -77.7723 -77.7723 -77.7722 -77.7722 -46.6200 -46.6200 -46.6193 -46.6193 -42.3140 -42.3140 -42.3122 -42.3122 -41.9674 -41.9674 -41.9670 -41.9670 -6.8211 -6.8211 -6.3839 -6.3839 -6.1968 -6.1968 -5.9701 -5.9701 -4.8273 -4.8273 -4.1732 -4.1732 1.3081 1.3081 1.4831 1.4831 1.6338 1.6338 1.9392 1.9392 2.0478 2.0478 2.2529 2.2529 2.4942 2.4942 2.7447 2.7447 3.0485 3.0485 3.2428 3.2428 3.3712 3.3712 3.7672 3.7672 4.0412 4.0412 4.1408 4.1408 4.1923 4.1923 4.4273 4.4273 4.6406 4.6406 4.8059 4.8059 4.9788 4.9788 5.1940 5.1940 5.4086 5.4086 5.5925 5.5925 5.7803 5.7803 6.0478 6.0478 7.4021 7.4021 7.6872 7.6872 7.8891 7.8891 8.5918 8.5918 11.2278 11.2278 11.5593 11.5593 11.9371 11.9371 12.4126 12.4126 k = 0.2750-0.0382 0.1140 ( 13141 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6200 -46.6200 -46.6192 -46.6192 -42.3140 -42.3140 -42.3122 -42.3122 -41.9674 -41.9674 -41.9670 -41.9670 -6.8451 -6.8451 -6.3871 -6.3871 -6.1962 -6.1962 -5.9736 -5.9736 -4.8353 -4.8353 -4.1606 -4.1606 1.3045 1.3045 1.4815 1.4815 1.6294 1.6294 1.9430 1.9430 2.0686 2.0686 2.2757 2.2757 2.5038 2.5038 2.7541 2.7541 3.0346 3.0346 3.2608 3.2608 3.4071 3.4071 3.7868 3.7868 4.0423 4.0423 4.1419 4.1419 4.1941 4.1941 4.4196 4.4196 4.6347 4.6347 4.8031 4.8031 5.0007 5.0007 5.2062 5.2062 5.4333 5.4333 5.6215 5.6215 5.8088 5.8088 6.0579 6.0579 7.4186 7.4186 7.6936 7.6936 7.8889 7.8889 8.5953 8.5953 11.2040 11.2040 11.5245 11.5245 11.9014 11.9014 12.3912 12.3912 k = 0.2625-0.0365 0.1088 ( 13143 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6200 -46.6200 -46.6192 -46.6192 -42.3141 -42.3141 -42.3121 -42.3121 -41.9674 -41.9674 -41.9670 -41.9670 -6.8688 -6.8688 -6.3904 -6.3904 -6.1957 -6.1957 -5.9773 -5.9773 -4.8434 -4.8434 -4.1483 -4.1483 1.2986 1.2986 1.4780 1.4780 1.6302 1.6302 1.9462 1.9462 2.0882 2.0882 2.3000 2.3000 2.5137 2.5137 2.7642 2.7642 3.0200 3.0200 3.2783 3.2783 3.4487 3.4487 3.8068 3.8068 4.0434 4.0434 4.1444 4.1444 4.1989 4.1989 4.4114 4.4114 4.6277 4.6277 4.7962 4.7962 5.0210 5.0210 5.2179 5.2179 5.4561 5.4561 5.6500 5.6500 5.8338 5.8338 6.0711 6.0711 7.4378 7.4378 7.7020 7.7020 7.8915 7.8915 8.5985 8.5985 11.1769 11.1769 11.4875 11.4875 11.8608 11.8608 12.3631 12.3631 k = 0.2500-0.0347 0.1037 ( 13149 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6200 -46.6200 -46.6192 -46.6192 -42.3141 -42.3141 -42.3121 -42.3121 -41.9673 -41.9673 -41.9670 -41.9670 -6.8919 -6.8919 -6.3938 -6.3938 -6.1952 -6.1952 -5.9812 -5.9812 -4.8517 -4.8517 -4.1364 -4.1364 1.2904 1.2904 1.4741 1.4741 1.6351 1.6351 1.9492 1.9492 2.1061 2.1061 2.3245 2.3245 2.5238 2.5238 2.7759 2.7759 3.0072 3.0072 3.2953 3.2953 3.4927 3.4927 3.8266 3.8266 4.0442 4.0442 4.1479 4.1479 4.2075 4.2075 4.4027 4.4027 4.6201 4.6201 4.7853 4.7853 5.0397 5.0397 5.2294 5.2294 5.4766 5.4766 5.6782 5.6782 5.8559 5.8559 6.0869 6.0869 7.4590 7.4590 7.7126 7.7126 7.8966 7.8966 8.6012 8.6012 11.1454 11.1454 11.4476 11.4476 11.8166 11.8166 12.3308 12.3308 k = 0.2375-0.0330 0.0985 ( 13142 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6200 -46.6200 -46.6192 -46.6192 -42.3141 -42.3141 -42.3120 -42.3120 -41.9673 -41.9673 -41.9670 -41.9670 -6.9145 -6.9145 -6.3972 -6.3972 -6.1947 -6.1947 -5.9853 -5.9853 -4.8602 -4.8602 -4.1248 -4.1248 1.2800 1.2800 1.4710 1.4710 1.6430 1.6430 1.9518 1.9518 2.1223 2.1223 2.3477 2.3477 2.5337 2.5337 2.7896 2.7896 2.9983 2.9983 3.3118 3.3118 3.5367 3.5367 3.8458 3.8458 4.0445 4.0445 4.1515 4.1515 4.2213 4.2213 4.3938 4.3938 4.6124 4.6124 4.7708 4.7708 5.0570 5.0570 5.2405 5.2405 5.4943 5.4943 5.7059 5.7059 5.8764 5.8764 6.1043 6.1043 7.4813 7.4813 7.7253 7.7253 7.9044 7.9044 8.6034 8.6034 11.1082 11.1082 11.4043 11.4043 11.7701 11.7701 12.2972 12.2972 k = 0.2250-0.0313 0.0933 ( 13134 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6200 -46.6200 -46.6191 -46.6191 -42.3142 -42.3142 -42.3120 -42.3120 -41.9673 -41.9673 -41.9670 -41.9670 -6.9365 -6.9365 -6.4007 -6.4007 -6.1941 -6.1941 -5.9895 -5.9895 -4.8687 -4.8687 -4.1138 -4.1138 1.2678 1.2678 1.4695 1.4695 1.6531 1.6531 1.9543 1.9543 2.1369 2.1369 2.3683 2.3683 2.5432 2.5432 2.8054 2.8054 2.9949 2.9949 3.3278 3.3278 3.5791 3.5791 3.8641 3.8641 4.0441 4.0441 4.1546 4.1546 4.2408 4.2408 4.3850 4.3850 4.6050 4.6050 4.7535 4.7535 5.0729 5.0729 5.2509 5.2509 5.5091 5.5091 5.7332 5.7332 5.8965 5.8965 6.1224 6.1224 7.5038 7.5038 7.7398 7.7398 7.9146 7.9146 8.6053 8.6053 11.0641 11.0641 11.3572 11.3572 11.7229 11.7229 12.2650 12.2650 k = 0.2125-0.0295 0.0881 ( 13143 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6200 -46.6200 -46.6191 -46.6191 -42.3142 -42.3142 -42.3120 -42.3120 -41.9673 -41.9673 -41.9669 -41.9669 -6.9577 -6.9577 -6.4041 -6.4041 -6.1934 -6.1934 -5.9939 -5.9939 -4.8772 -4.8772 -4.1032 -4.1032 1.2544 1.2544 1.4695 1.4695 1.6648 1.6648 1.9566 1.9566 2.1502 2.1502 2.3852 2.3852 2.5515 2.5515 2.8228 2.8228 2.9986 2.9986 3.3434 3.3434 3.6189 3.6189 3.8811 3.8811 4.0430 4.0430 4.1568 4.1568 4.2653 4.2653 4.3771 4.3771 4.5984 4.5984 4.7344 4.7344 5.0873 5.0873 5.2601 5.2601 5.5211 5.5211 5.7601 5.7601 5.9171 5.9171 6.1404 6.1404 7.5256 7.5256 7.7555 7.7555 7.9271 7.9271 8.6067 8.6067 11.0125 11.0125 11.3062 11.3062 11.6757 11.6757 12.2363 12.2363 k = 0.2000-0.0278 0.0829 ( 13141 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6200 -46.6200 -46.6191 -46.6191 -42.3142 -42.3142 -42.3119 -42.3119 -41.9673 -41.9673 -41.9669 -41.9669 -6.9781 -6.9781 -6.4075 -6.4075 -6.1925 -6.1925 -5.9984 -5.9984 -4.8857 -4.8857 -4.0931 -4.0931 1.2401 1.2401 1.4710 1.4710 1.6778 1.6778 1.9588 1.9588 2.1622 2.1622 2.3982 2.3982 2.5584 2.5584 2.8400 2.8400 3.0110 3.0110 3.3584 3.3584 3.6554 3.6554 3.8966 3.8966 4.0413 4.0413 4.1582 4.1582 4.2923 4.2923 4.3718 4.3718 4.5933 4.5933 4.7145 4.7145 5.1004 5.1004 5.2674 5.2674 5.5309 5.5309 5.7865 5.7865 5.9386 5.9386 6.1580 6.1580 7.5459 7.5459 7.7717 7.7717 7.9421 7.9421 8.6076 8.6076 10.9535 10.9535 11.2513 11.2513 11.6289 11.6289 12.2125 12.2125 k = 0.1875-0.0261 0.0777 ( 13145 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6200 -46.6200 -46.6191 -46.6191 -42.3143 -42.3143 -42.3119 -42.3119 -41.9673 -41.9673 -41.9669 -41.9669 -6.9976 -6.9976 -6.4109 -6.4109 -6.1916 -6.1916 -6.0030 -6.0030 -4.8942 -4.8942 -4.0837 -4.0837 1.2256 1.2256 1.4736 1.4736 1.6919 1.6919 1.9608 1.9608 2.1733 2.1733 2.4075 2.4075 2.5636 2.5636 2.8554 2.8554 3.0328 3.0328 3.3731 3.3731 3.6882 3.6882 3.9106 3.9106 4.0389 4.0389 4.1587 4.1587 4.3147 4.3147 4.3747 4.3747 4.5901 4.5901 4.6950 4.6950 5.1120 5.1120 5.2724 5.2724 5.5397 5.5397 5.8122 5.8122 5.9608 5.9608 6.1752 6.1752 7.5645 7.5645 7.7873 7.7873 7.9595 7.9595 8.6082 8.6082 10.8883 10.8883 11.1928 11.1928 11.5820 11.5820 12.1939 12.1939 k = 0.1750-0.0243 0.0726 ( 13140 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6191 -46.6191 -42.3143 -42.3143 -42.3119 -42.3119 -41.9673 -41.9673 -41.9669 -41.9669 -7.0161 -7.0161 -6.4142 -6.4142 -6.1904 -6.1904 -6.0076 -6.0076 -4.9025 -4.9025 -4.0748 -4.0748 1.2112 1.2112 1.4771 1.4771 1.7070 1.7070 1.9628 1.9628 2.1834 2.1834 2.4134 2.4134 2.5674 2.5674 2.8677 2.8677 3.0632 3.0632 3.3875 3.3875 3.7175 3.7175 3.9229 3.9229 4.0362 4.0362 4.1586 4.1586 4.3233 4.3233 4.3929 4.3929 4.5894 4.5894 4.6775 4.6775 5.1218 5.1218 5.2747 5.2747 5.5487 5.5487 5.8367 5.8367 5.9838 5.9838 6.1918 6.1918 7.5809 7.5809 7.8011 7.8011 7.9793 7.9793 8.6082 8.6082 10.8188 10.8188 11.1311 11.1311 11.5339 11.5339 12.1802 12.1802 k = 0.1625-0.0226 0.0674 ( 13135 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6191 -46.6191 -42.3143 -42.3143 -42.3118 -42.3118 -41.9673 -41.9673 -41.9669 -41.9669 -7.0336 -7.0336 -6.4174 -6.4174 -6.1891 -6.1891 -6.0123 -6.0123 -4.9105 -4.9105 -4.0665 -4.0665 1.1973 1.1973 1.4811 1.4811 1.7229 1.7229 1.9648 1.9648 2.1926 2.1926 2.4163 2.4163 2.5706 2.5706 2.8770 2.8770 3.0995 3.0995 3.4022 3.4022 3.7432 3.7432 3.9334 3.9334 4.0333 4.0333 4.1579 4.1579 4.3224 4.3224 4.4198 4.4198 4.5913 4.5913 4.6641 4.6641 5.1298 5.1298 5.2742 5.2742 5.5590 5.5590 5.8597 5.8597 6.0074 6.0074 6.2080 6.2080 7.5951 7.5951 7.8120 7.8120 8.0014 8.0014 8.6078 8.6078 10.7471 10.7471 11.0671 11.0671 11.4834 11.4834 12.1702 12.1702 k = 0.1500-0.0208 0.0622 ( 13129 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6191 -46.6191 -42.3143 -42.3143 -42.3118 -42.3118 -41.9673 -41.9673 -41.9669 -41.9669 -7.0501 -7.0501 -6.4204 -6.4204 -6.1877 -6.1877 -6.0169 -6.0169 -4.9184 -4.9184 -4.0589 -4.0589 1.1840 1.1840 1.4853 1.4853 1.7395 1.7395 1.9668 1.9668 2.2011 2.2011 2.4167 2.4167 2.5737 2.5737 2.8839 2.8839 3.1384 3.1384 3.4179 3.4179 3.7656 3.7656 3.9419 3.9419 4.0304 4.0304 4.1567 4.1567 4.3191 4.3191 4.4452 4.4452 4.5940 4.5940 4.6587 4.6587 5.1357 5.1357 5.2710 5.2710 5.5716 5.5716 5.8805 5.8805 6.0314 6.0314 6.2236 6.2236 7.6073 7.6073 7.8194 7.8194 8.0255 8.0255 8.6067 8.6067 10.6754 10.6754 11.0021 11.0021 11.4294 11.4294 12.1621 12.1621 k = 0.1375-0.0191 0.0570 ( 13132 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3143 -42.3143 -42.3118 -42.3118 -41.9673 -41.9673 -41.9669 -41.9669 -7.0654 -7.0654 -6.4234 -6.4234 -6.1860 -6.1860 -6.0216 -6.0216 -4.9259 -4.9259 -4.0519 -4.0519 1.1715 1.1715 1.4896 1.4896 1.7566 1.7566 1.9689 1.9689 2.2088 2.2088 2.4149 2.4149 2.5774 2.5774 2.8886 2.8886 3.1763 3.1763 3.4356 3.4356 3.7851 3.7851 3.9482 3.9482 4.0279 4.0279 4.1551 4.1551 4.3163 4.3163 4.4649 4.4649 4.5938 4.5938 4.6661 4.6661 5.1392 5.1392 5.2655 5.2655 5.5871 5.5871 5.8988 5.8988 6.0557 6.0557 6.2385 6.2385 7.6177 7.6177 7.8228 7.8228 8.0509 8.0509 8.6050 8.6050 10.6057 10.6057 10.9376 10.9376 11.3715 11.3715 12.1525 12.1525 k = 0.1250-0.0174 0.0518 ( 13140 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3117 -42.3117 -41.9673 -41.9673 -41.9668 -41.9668 -7.0796 -7.0796 -6.4261 -6.4261 -6.1843 -6.1843 -6.0261 -6.0261 -4.9330 -4.9330 -4.0456 -4.0456 1.1600 1.1600 1.4937 1.4937 1.7740 1.7740 1.9713 1.9713 2.2158 2.2158 2.4109 2.4109 2.5823 2.5823 2.8915 2.8915 3.2100 3.2100 3.4567 3.4567 3.8021 3.8021 3.9522 3.9522 4.0259 4.0259 4.1530 4.1530 4.3149 4.3149 4.4782 4.4782 4.5906 4.5906 4.6852 4.6852 5.1400 5.1400 5.2587 5.2587 5.6056 5.6056 5.9145 5.9145 6.0803 6.0803 6.2524 6.2524 7.6265 7.6265 7.8223 7.8223 8.0769 8.0769 8.6025 8.6025 10.5396 10.5396 10.8750 10.8750 11.3103 11.3103 12.1338 12.1338 k = 0.1125-0.0156 0.0466 ( 13132 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3117 -42.3117 -41.9673 -41.9673 -41.9668 -41.9668 -7.0925 -7.0925 -6.4287 -6.4287 -6.1824 -6.1824 -6.0304 -6.0304 -4.9396 -4.9396 -4.0398 -4.0398 1.1496 1.1496 1.4975 1.4975 1.7913 1.7913 1.9740 1.9740 2.2223 2.2223 2.4049 2.4049 2.5887 2.5887 2.8925 2.8925 3.2372 3.2372 3.4819 3.4819 3.8169 3.8169 3.9542 3.9542 4.0245 4.0245 4.1503 4.1503 4.3153 4.3153 4.4860 4.4860 4.5877 4.5877 4.7104 4.7104 5.1380 5.1380 5.2514 5.2514 5.6269 5.6269 5.9276 5.9276 6.1047 6.1047 6.2649 6.2649 7.6340 7.6340 7.8183 7.8183 8.1027 8.1027 8.5993 8.5993 10.4785 10.4785 10.8157 10.8157 11.2467 11.2467 12.1006 12.1006 k = 0.1000-0.0139 0.0415 ( 13136 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3117 -42.3117 -41.9673 -41.9673 -41.9668 -41.9668 -7.1041 -7.1041 -6.4310 -6.4310 -6.1805 -6.1805 -6.0346 -6.0346 -4.9457 -4.9457 -4.0347 -4.0347 1.1402 1.1402 1.5009 1.5009 1.8082 1.8082 1.9772 1.9772 2.2283 2.2283 2.3972 2.3972 2.5967 2.5967 2.8916 2.8916 3.2571 3.2571 3.5108 3.5108 3.8299 3.8299 3.9546 3.9546 4.0239 4.0239 4.1467 4.1467 4.3175 4.3175 4.4893 4.4893 4.5881 4.5881 4.7367 4.7367 5.1330 5.1330 5.2446 5.2446 5.6506 5.6506 5.9385 5.9385 6.1286 6.1286 6.2757 6.2757 7.6405 7.6405 7.8113 7.8113 8.1276 8.1276 8.5953 8.5953 10.4232 10.4232 10.7610 10.7610 11.1821 11.1821 12.0599 12.0599 k = 0.0875-0.0122 0.0363 ( 13124 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3117 -42.3117 -41.9673 -41.9673 -41.9668 -41.9668 -7.1145 -7.1145 -6.4331 -6.4331 -6.1785 -6.1785 -6.0385 -6.0385 -4.9513 -4.9513 -4.0303 -4.0303 1.1319 1.1319 1.5039 1.5039 1.8241 1.8241 1.9810 1.9810 2.2340 2.2340 2.3879 2.3879 2.6064 2.6064 2.8887 2.8887 3.2704 3.2704 3.5417 3.5417 3.8417 3.8417 3.9538 3.9538 4.0245 4.0245 4.1423 4.1423 4.3211 4.3211 4.4884 4.4884 4.5934 4.5934 4.7611 4.7611 5.1254 5.1254 5.2391 5.2391 5.6758 5.6758 5.9473 5.9473 6.1514 6.1514 6.2846 6.2846 7.6463 7.6463 7.8019 7.8019 8.1511 8.1511 8.5907 8.5907 10.3745 10.3745 10.7120 10.7120 11.1183 11.1183 12.0175 12.0175 k = 0.0750-0.0104 0.0311 ( 13127 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3117 -42.3117 -41.9673 -41.9673 -41.9668 -41.9668 -7.1236 -7.1236 -6.4350 -6.4350 -6.1767 -6.1767 -6.0422 -6.0422 -4.9562 -4.9562 -4.0264 -4.0264 1.1247 1.1247 1.5064 1.5064 1.8386 1.8386 1.9856 1.9856 2.2396 2.2396 2.3773 2.3773 2.6174 2.6174 2.8840 2.8840 3.2785 3.2785 3.5722 3.5722 3.8527 3.8527 3.9519 3.9519 4.0265 4.0265 4.1367 4.1367 4.3260 4.3260 4.4837 4.4837 4.6038 4.6038 4.7817 4.7817 5.1157 5.1157 5.2351 5.2351 5.7014 5.7014 5.9545 5.9545 6.1724 6.1724 6.2915 6.2915 7.6515 7.6515 7.7907 7.7907 8.1727 8.1727 8.5857 8.5857 10.3327 10.3327 10.6696 10.6696 11.0569 11.0569 11.9766 11.9766 k = 0.0625-0.0087 0.0259 ( 13128 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.1313 -7.1313 -6.4366 -6.4366 -6.1749 -6.1749 -6.0454 -6.0454 -4.9605 -4.9605 -4.0232 -4.0232 1.1186 1.1186 1.5085 1.5085 1.8510 1.8510 1.9908 1.9908 2.2453 2.2453 2.3657 2.3657 2.6292 2.6292 2.8777 2.8777 3.2831 3.2831 3.6000 3.6000 3.8632 3.8632 3.9489 3.9489 4.0304 4.0304 4.1299 4.1299 4.3319 4.3319 4.4760 4.4760 4.6187 4.6187 4.7971 4.7971 5.1052 5.1052 5.2326 5.2326 5.7262 5.7262 5.9604 5.9604 6.1911 6.1911 6.2966 6.2966 7.6564 7.6564 7.7784 7.7784 8.1919 8.1919 8.5804 8.5804 10.2978 10.2978 10.6343 10.6343 10.9997 10.9997 11.9390 11.9390 k = 0.0500-0.0069 0.0207 ( 13126 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.1376 -7.1376 -6.4380 -6.4380 -6.1733 -6.1733 -6.0482 -6.0482 -4.9640 -4.9640 -4.0206 -4.0206 1.1137 1.1137 1.5102 1.5102 1.8612 1.8612 1.9964 1.9964 2.2513 2.2513 2.3536 2.3536 2.6412 2.6412 2.8704 2.8704 3.2854 3.2854 3.6236 3.6236 3.8738 3.8738 3.9450 3.9450 4.0365 4.0365 4.1218 4.1218 4.3386 4.3386 4.4663 4.4663 4.6364 4.6364 4.8069 4.8069 5.0951 5.0951 5.2311 5.2311 5.7488 5.7488 5.9652 5.9652 6.2069 6.2069 6.3000 6.3000 7.6613 7.6613 7.7658 7.7658 8.2084 8.2084 8.5753 8.5753 10.2697 10.2697 10.6065 10.6065 10.9488 10.9488 11.9064 11.9064 k = 0.0375-0.0052 0.0155 ( 13123 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.1425 -7.1425 -6.4391 -6.4391 -6.1720 -6.1720 -6.0504 -6.0504 -4.9668 -4.9668 -4.0185 -4.0185 1.1098 1.1098 1.5115 1.5115 1.8689 1.8689 2.0019 2.0019 2.2575 2.2575 2.3417 2.3417 2.6526 2.6526 2.8627 2.8627 3.2864 3.2864 3.6420 3.6420 3.8844 3.8844 3.9400 3.9400 4.0448 4.0448 4.1126 4.1126 4.3458 4.3458 4.4558 4.4558 4.6552 4.6552 4.8110 4.8110 5.0865 5.0865 5.2305 5.2305 5.7681 5.7681 5.9689 5.9689 6.2193 6.2193 6.3023 6.3023 7.6663 7.6663 7.7538 7.7538 8.2218 8.2218 8.5707 8.5707 10.2483 10.2483 10.5861 10.5861 10.9060 10.9060 11.8799 11.8799 k = 0.0250-0.0035 0.0104 ( 13120 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.1461 -7.1461 -6.4398 -6.4398 -6.1710 -6.1710 -6.0521 -6.0521 -4.9689 -4.9689 -4.0171 -4.0171 1.1071 1.1071 1.5124 1.5124 1.8743 1.8743 2.0065 2.0065 2.2637 2.2637 2.3309 2.3309 2.6621 2.6621 2.8559 2.8559 3.2867 3.2867 3.6549 3.6549 3.8947 3.8947 3.9340 3.9340 4.0548 4.0548 4.1023 4.1023 4.3528 4.3528 4.4458 4.4458 4.6725 4.6725 4.8106 4.8106 5.0802 5.0802 5.2303 5.2303 5.7828 5.7828 5.9718 5.9718 6.2282 6.2282 6.3037 6.3037 7.6710 7.6710 7.7435 7.7435 8.2317 8.2317 8.5670 8.5670 10.2332 10.2332 10.5724 10.5724 10.8734 10.8734 11.8604 11.8604 k = 0.0125-0.0017 0.0052 ( 13121 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.1482 -7.1482 -6.4403 -6.4403 -6.1703 -6.1703 -6.0531 -6.0531 -4.9701 -4.9701 -4.0162 -4.0162 1.1054 1.1054 1.5129 1.5129 1.8774 1.8774 2.0096 2.0096 2.2689 2.2689 2.3227 2.3227 2.6686 2.6686 2.8510 2.8510 3.2868 3.2868 3.6624 3.6624 3.9038 3.9038 3.9277 3.9277 4.0659 4.0659 4.0913 4.0913 4.3583 4.3583 4.4382 4.4382 4.6853 4.6853 4.8082 4.8082 5.0764 5.0764 5.2303 5.2303 5.7920 5.7920 5.9735 5.9735 6.2334 6.2334 6.3045 6.3045 7.6747 7.6747 7.7361 7.7361 8.2378 8.2378 8.5646 8.5646 10.2242 10.2242 10.5648 10.5648 10.8529 10.8529 11.8486 11.8486 k = 0.0000 0.0000 0.0000 ( 13115 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.1489 -7.1489 -6.4404 -6.4404 -6.1701 -6.1701 -6.0535 -6.0535 -4.9705 -4.9705 -4.0159 -4.0159 1.1049 1.1049 1.5131 1.5131 1.8785 1.8785 2.0108 2.0108 2.2711 2.2711 2.3194 2.3194 2.6709 2.6709 2.8493 2.8493 3.2868 3.2868 3.6649 3.6649 3.9085 3.9085 3.9239 3.9239 4.0743 4.0743 4.0829 4.0829 4.3605 4.3605 4.4353 4.4353 4.6901 4.6901 4.8069 4.8069 5.0752 5.0752 5.2303 5.2303 5.7951 5.7951 5.9741 5.9741 6.2351 6.2351 6.3048 6.3048 7.6762 7.6762 7.7333 7.7333 8.2398 8.2398 8.5638 8.5638 10.2213 10.2213 10.5624 10.5624 10.8458 10.8458 11.8446 11.8446 k = 0.0000 0.0000 0.0000 ( 13115 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.1489 -7.1489 -6.4404 -6.4404 -6.1701 -6.1701 -6.0535 -6.0535 -4.9705 -4.9705 -4.0159 -4.0159 1.1049 1.1049 1.5131 1.5131 1.8785 1.8785 2.0108 2.0108 2.2711 2.2711 2.3194 2.3194 2.6709 2.6709 2.8493 2.8493 3.2868 3.2868 3.6649 3.6649 3.9085 3.9085 3.9239 3.9239 4.0743 4.0743 4.0829 4.0829 4.3605 4.3605 4.4353 4.4353 4.6901 4.6901 4.8069 4.8069 5.0752 5.0752 5.2303 5.2303 5.7951 5.7951 5.9741 5.9741 6.2351 6.2351 6.3048 6.3048 7.6762 7.6762 7.7333 7.7333 8.2398 8.2398 8.5638 8.5638 10.2213 10.2213 10.5624 10.5624 10.8458 10.8458 11.8446 11.8446 k = 0.0000 0.0125 0.0059 ( 13112 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.1482 -7.1482 -6.4409 -6.4409 -6.1712 -6.1712 -6.0530 -6.0530 -4.9704 -4.9704 -4.0159 -4.0159 1.1069 1.1069 1.5127 1.5127 1.8776 1.8776 2.0095 2.0095 2.2695 2.2695 2.3223 2.3223 2.6720 2.6720 2.8506 2.8506 3.2875 3.2875 3.6626 3.6626 3.8983 3.8983 3.9330 3.9330 4.0703 4.0703 4.0896 4.0896 4.3592 4.3592 4.4353 4.4353 4.6875 4.6875 4.8079 4.8079 5.0758 5.0758 5.2314 5.2314 5.7935 5.7935 5.9736 5.9736 6.2339 6.2339 6.3045 6.3045 7.6753 7.6753 7.7340 7.7340 8.2366 8.2366 8.5643 8.5643 10.2226 10.2226 10.5634 10.5634 10.8529 10.8529 11.8449 11.8449 k = 0.0000 0.0250 0.0118 ( 13116 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.1459 -7.1459 -6.4425 -6.4425 -6.1744 -6.1744 -6.0516 -6.0516 -4.9701 -4.9701 -4.0158 -4.0158 1.1128 1.1128 1.5113 1.5113 1.8749 1.8749 2.0059 2.0059 2.2654 2.2654 2.3302 2.3302 2.6749 2.6749 2.8549 2.8549 3.2898 3.2898 3.6561 3.6561 3.8821 3.8821 3.9456 3.9456 4.0657 4.0657 4.1020 4.1020 4.3557 4.3557 4.4351 4.4351 4.6804 4.6804 4.8100 4.8100 5.0780 5.0780 5.2347 5.2347 5.7887 5.7887 5.9722 5.9722 6.2303 6.2303 6.3034 6.3034 7.6728 7.6728 7.7359 7.7359 8.2271 8.2271 8.5658 8.5658 10.2268 10.2268 10.5668 10.5668 10.8736 10.8736 11.8461 11.8461 k = 0.0000 0.0375 0.0177 ( 13112 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.1422 -7.1422 -6.4450 -6.4450 -6.1795 -6.1795 -6.0496 -6.0496 -4.9696 -4.9696 -4.0156 -4.0156 1.1227 1.1227 1.5090 1.5090 1.8706 1.8706 2.0001 2.0001 2.2602 2.2602 2.3416 2.3416 2.6783 2.6783 2.8630 2.8630 3.2934 3.2934 3.6464 3.6464 3.8644 3.8644 3.9563 3.9563 4.0627 4.0627 4.1179 4.1179 4.3501 4.3501 4.4345 4.4345 4.6711 4.6711 4.8110 4.8110 5.0822 5.0822 5.2399 5.2399 5.7804 5.7804 5.9704 5.9704 6.2247 6.2247 6.3013 6.3013 7.6685 7.6685 7.7388 7.7388 8.2121 8.2121 8.5682 8.5682 10.2338 10.2338 10.5733 10.5733 10.9066 10.9066 11.8481 11.8481 k = 0.0000 0.0500 0.0236 ( 13106 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3117 -42.3117 -41.9673 -41.9673 -41.9668 -41.9668 -7.1369 -7.1369 -6.4485 -6.4485 -6.1863 -6.1863 -6.0470 -6.0470 -4.9689 -4.9689 -4.0154 -4.0154 1.1365 1.1365 1.5058 1.5058 1.8650 1.8650 1.9926 1.9926 2.2547 2.2547 2.3555 2.3555 2.6806 2.6806 2.8761 2.8761 3.2980 3.2980 3.6345 3.6345 3.8453 3.8453 3.9642 3.9642 4.0614 4.0614 4.1369 4.1369 4.3429 4.3429 4.4334 4.4334 4.6613 4.6613 4.8093 4.8093 5.0888 5.0888 5.2465 5.2465 5.7686 5.7686 5.9685 5.9685 6.2171 6.2171 6.2981 6.2981 7.6620 7.6620 7.7422 7.7422 8.1927 8.1927 8.5713 8.5713 10.2437 10.2437 10.5836 10.5836 10.9503 10.9503 11.8511 11.8511 k = 0.0000 0.0624 0.0295 ( 13104 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3117 -42.3117 -41.9673 -41.9673 -41.9668 -41.9668 -7.1302 -7.1302 -6.4530 -6.4530 -6.1947 -6.1947 -6.0442 -6.0442 -4.9680 -4.9680 -4.0152 -4.0152 1.1543 1.1543 1.5015 1.5015 1.8586 1.8586 1.9837 1.9837 2.2492 2.2492 2.3710 2.3710 2.6805 2.6805 2.8949 2.8949 3.3033 3.3033 3.6220 3.6220 3.8247 3.8247 3.9687 3.9687 4.0618 4.0618 4.1579 4.1579 4.3347 4.3347 4.4315 4.4315 4.6523 4.6523 4.8046 4.8046 5.0977 5.0977 5.2543 5.2543 5.7534 5.7534 5.9668 5.9668 6.2081 6.2081 6.2934 6.2934 7.6529 7.6529 7.7458 7.7458 8.1706 8.1706 8.5752 8.5752 10.2566 10.2566 10.5982 10.5982 11.0028 11.0028 11.8550 11.8550 k = 0.0000 0.0749 0.0354 ( 13108 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3143 -42.3143 -42.3117 -42.3117 -41.9672 -41.9672 -41.9668 -41.9668 -7.1221 -7.1221 -6.4583 -6.4583 -6.2043 -6.2043 -6.0412 -6.0412 -4.9668 -4.9668 -4.0149 -4.0149 1.1759 1.1759 1.4961 1.4961 1.8517 1.8517 1.9738 1.9738 2.2439 2.2439 2.3877 2.3877 2.6770 2.6770 2.9196 2.9196 3.3087 3.3087 3.6100 3.6100 3.8025 3.8025 3.9700 3.9700 4.0634 4.0634 4.1795 4.1795 4.3262 4.3262 4.4294 4.4294 4.6446 4.6446 4.7976 4.7976 5.1080 5.1080 5.2629 5.2629 5.7352 5.7352 5.9652 5.9652 6.1980 6.1980 6.2871 6.2871 7.6403 7.6403 7.7487 7.7487 8.1475 8.1475 8.5797 8.5797 10.2728 10.2728 10.6170 10.6170 11.0624 11.0624 11.8600 11.8600 k = 0.0000 0.0874 0.0413 ( 13106 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3143 -42.3143 -42.3117 -42.3117 -41.9672 -41.9672 -41.9668 -41.9668 -7.1125 -7.1125 -6.4644 -6.4644 -6.2151 -6.2151 -6.0383 -6.0383 -4.9653 -4.9653 -4.0146 -4.0146 1.2014 1.2014 1.4896 1.4896 1.8447 1.8447 1.9632 1.9632 2.2390 2.2390 2.4050 2.4050 2.6704 2.6704 2.9494 2.9494 3.3137 3.3137 3.5997 3.5997 3.7788 3.7788 3.9687 3.9687 4.0653 4.0653 4.1996 4.1996 4.3186 4.3186 4.4276 4.4276 4.6381 4.6381 4.7901 4.7901 5.1189 5.1189 5.2719 5.2719 5.7146 5.7146 5.9631 5.9631 6.1873 6.1873 6.2791 6.2791 7.6235 7.6235 7.7507 7.7507 8.1258 8.1258 8.5847 8.5847 10.2922 10.2922 10.6399 10.6399 11.1273 11.1273 11.8663 11.8663 k = 0.0000 0.0999 0.0472 ( 13114 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6200 -46.6200 -46.6190 -46.6190 -42.3143 -42.3143 -42.3118 -42.3118 -41.9672 -41.9672 -41.9668 -41.9668 -7.1016 -7.1016 -6.4714 -6.4714 -6.2269 -6.2269 -6.0357 -6.0357 -4.9636 -4.9636 -4.0142 -4.0142 1.2306 1.2306 1.4820 1.4820 1.8380 1.8380 1.9523 1.9523 2.2343 2.2343 2.4224 2.4224 2.6610 2.6610 2.9828 2.9828 3.3176 3.3176 3.5919 3.5919 3.7540 3.7540 3.9657 3.9657 4.0665 4.0665 4.2154 4.2154 4.3136 4.3136 4.4275 4.4275 4.6325 4.6325 4.7841 4.7841 5.1292 5.1292 5.2810 5.2810 5.6923 5.6923 5.9597 5.9597 6.1763 6.1763 6.2697 6.2697 7.6016 7.6016 7.7510 7.7510 8.1075 8.1075 8.5903 8.5903 10.3149 10.3149 10.6666 10.6666 11.1955 11.1955 11.8739 11.8739 k = 0.0000 0.1124 0.0531 ( 13112 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6200 -46.6200 -46.6191 -46.6191 -42.3142 -42.3142 -42.3118 -42.3118 -41.9672 -41.9672 -41.9668 -41.9668 -7.0893 -7.0893 -6.4791 -6.4791 -6.2394 -6.2394 -6.0332 -6.0332 -4.9616 -4.9616 -4.0139 -4.0139 1.2636 1.2636 1.4735 1.4735 1.8317 1.8317 1.9413 1.9413 2.2299 2.2299 2.4394 2.4394 2.6496 2.6496 3.0183 3.0183 3.3198 3.3198 3.5866 3.5866 3.7293 3.7293 3.9615 3.9615 4.0661 4.0661 4.2245 4.2245 4.3124 4.3124 4.4305 4.4305 4.6278 4.6278 4.7811 4.7811 5.1385 5.1385 5.2897 5.2897 5.6689 5.6689 5.9540 5.9540 6.1654 6.1654 6.2589 6.2589 7.5741 7.5741 7.7494 7.7494 8.0942 8.0942 8.5964 8.5964 10.3411 10.3411 10.6965 10.6965 11.2650 11.2650 11.8829 11.8829 k = 0.0000 0.1249 0.0589 ( 13108 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6200 -46.6200 -46.6191 -46.6191 -42.3142 -42.3142 -42.3119 -42.3119 -41.9672 -41.9672 -41.9668 -41.9668 -7.0758 -7.0758 -6.4875 -6.4875 -6.2527 -6.2527 -6.0311 -6.0311 -4.9593 -4.9593 -4.0136 -4.0136 1.3000 1.3000 1.4643 1.4643 1.8259 1.8259 1.9307 1.9307 2.2258 2.2258 2.4556 2.4556 2.6371 2.6371 3.0540 3.0540 3.3198 3.3198 3.5820 3.5820 3.7074 3.7074 3.9567 3.9567 4.0634 4.0634 4.2268 4.2268 4.3142 4.3142 4.4378 4.4378 4.6246 4.6246 4.7822 4.7822 5.1464 5.1464 5.2973 5.2973 5.6451 5.6451 5.9453 5.9453 6.1547 6.1547 6.2471 6.2471 7.5414 7.5414 7.7457 7.7457 8.0869 8.0869 8.6029 8.6029 10.3705 10.3705 10.7291 10.7291 11.3338 11.3338 11.8932 11.8932 k = 0.0000 0.1374 0.0648 ( 13114 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6200 -46.6200 -46.6191 -46.6191 -42.3141 -42.3141 -42.3119 -42.3119 -41.9672 -41.9672 -41.9668 -41.9668 -7.0610 -7.0610 -6.4967 -6.4967 -6.2664 -6.2664 -6.0294 -6.0294 -4.9568 -4.9568 -4.0132 -4.0132 1.3395 1.3395 1.4547 1.4547 1.8205 1.8205 1.9207 1.9207 2.2217 2.2217 2.4704 2.4704 2.6242 2.6242 3.0880 3.0880 3.3174 3.3174 3.5732 3.5732 3.6940 3.6940 3.9517 3.9517 4.0581 4.0581 4.2253 4.2253 4.3164 4.3164 4.4492 4.4492 4.6240 4.6240 4.7876 4.7876 5.1528 5.1528 5.3034 5.3034 5.6213 5.6213 5.9328 5.9328 6.1440 6.1440 6.2346 6.2346 7.5046 7.5046 7.7399 7.7399 8.0854 8.0854 8.6098 8.6098 10.4031 10.4031 10.7636 10.7636 11.3998 11.3998 11.9047 11.9047 k = 0.0000 0.1499 0.0707 ( 13111 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6200 -46.6200 -46.6191 -46.6191 -42.3141 -42.3141 -42.3120 -42.3120 -41.9672 -41.9672 -41.9668 -41.9668 -7.0451 -7.0451 -6.5066 -6.5066 -6.2805 -6.2805 -6.0280 -6.0280 -4.9540 -4.9540 -4.0129 -4.0129 1.3807 1.3807 1.4463 1.4463 1.8153 1.8153 1.9119 1.9119 2.2176 2.2176 2.4830 2.4830 2.6121 2.6121 3.1183 3.1183 3.3125 3.3125 3.5541 3.5541 3.6954 3.6954 3.9467 3.9467 4.0509 4.0509 4.2225 4.2225 4.3176 4.3176 4.4629 4.4629 4.6277 4.6277 4.7970 4.7970 5.1578 5.1578 5.3073 5.3073 5.5976 5.5976 5.9162 5.9162 6.1328 6.1328 6.2215 6.2215 7.4656 7.4656 7.7321 7.7321 8.0891 8.0891 8.6170 8.6170 10.4387 10.4387 10.7994 10.7994 11.4613 11.4613 11.9169 11.9169 k = 0.0000 0.1624 0.0766 ( 13107 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6199 -46.6199 -46.6191 -46.6191 -42.3140 -42.3140 -42.3120 -42.3120 -41.9672 -41.9672 -41.9669 -41.9669 -7.0281 -7.0281 -6.5173 -6.5173 -6.2946 -6.2946 -6.0270 -6.0270 -4.9511 -4.9511 -4.0126 -4.0126 1.4132 1.4132 1.4493 1.4493 1.8100 1.8100 1.9048 1.9048 2.2134 2.2134 2.4922 2.4922 2.6020 2.6020 3.1435 3.1435 3.3048 3.3048 3.5246 3.5246 3.7117 3.7117 3.9420 3.9420 4.0433 4.0433 4.2200 4.2200 4.3180 4.3180 4.4766 4.4766 4.6370 4.6370 4.8098 4.8098 5.1618 5.1618 5.3088 5.3088 5.5743 5.5743 5.8952 5.8952 6.1207 6.1207 6.2080 6.2080 7.4268 7.4268 7.7222 7.7222 8.0968 8.0968 8.6243 8.6243 10.4771 10.4771 10.8357 10.8357 11.5169 11.5169 11.9293 11.9293 k = 0.0000 0.1749 0.0825 ( 13110 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6199 -46.6199 -46.6192 -46.6192 -42.3139 -42.3139 -42.3121 -42.3121 -41.9672 -41.9672 -41.9669 -41.9669 -7.0102 -7.0102 -6.5288 -6.5288 -6.3087 -6.3087 -6.0262 -6.0262 -4.9480 -4.9480 -4.0123 -4.0123 1.4139 1.4139 1.4870 1.4870 1.8042 1.8042 1.8997 1.8997 2.2091 2.2091 2.4967 2.4967 2.5957 2.5957 3.1619 3.1619 3.2940 3.2940 3.4896 3.4896 3.7375 3.7375 3.9382 3.9382 4.0375 4.0375 4.2183 4.2183 4.3183 4.3183 4.4887 4.4887 4.6524 4.6524 4.8255 4.8255 5.1650 5.1650 5.3077 5.3077 5.5511 5.5511 5.8699 5.8699 6.1074 6.1074 6.1936 6.1936 7.3907 7.3907 7.7101 7.7101 8.1075 8.1075 8.6317 8.6317 10.5179 10.5179 10.8716 10.8716 11.5660 11.5660 11.9413 11.9413 k = 0.0000 0.1873 0.0884 ( 13102 PWs) bands (ev): -77.7722 -77.7722 -77.7722 -77.7722 -46.6199 -46.6199 -46.6192 -46.6192 -42.3139 -42.3139 -42.3122 -42.3122 -41.9672 -41.9672 -41.9669 -41.9669 -6.9913 -6.9913 -6.5412 -6.5412 -6.3224 -6.3224 -6.0258 -6.0258 -4.9448 -4.9448 -4.0121 -4.0121 1.4052 1.4052 1.5363 1.5363 1.7982 1.7982 1.8969 1.8969 2.2047 2.2047 2.4956 2.4956 2.5939 2.5939 3.1720 3.1720 3.2799 3.2799 3.4541 3.4541 3.7665 3.7665 3.9367 3.9367 4.0354 4.0354 4.2176 4.2176 4.3192 4.3192 4.4991 4.4991 4.6729 4.6729 4.8437 4.8437 5.1677 5.1677 5.3041 5.3041 5.5281 5.5281 5.8402 5.8402 6.0931 6.0931 6.1779 6.1779 7.3595 7.3595 7.6958 7.6958 8.1202 8.1202 8.6390 8.6390 10.5608 10.5608 10.9062 10.9062 11.6081 11.6081 11.9526 11.9526 k = 0.0000 0.1998 0.0943 ( 13104 PWs) bands (ev): -77.7722 -77.7722 -77.7722 -77.7722 -46.6198 -46.6198 -46.6192 -46.6192 -42.3138 -42.3138 -42.3123 -42.3123 -41.9672 -41.9672 -41.9669 -41.9669 -6.9718 -6.9718 -6.5545 -6.5545 -6.3355 -6.3355 -6.0256 -6.0256 -4.9416 -4.9416 -4.0119 -4.0119 1.3955 1.3955 1.5882 1.5882 1.7923 1.7923 1.8964 1.8964 2.2003 2.2003 2.4893 2.4893 2.5963 2.5963 3.1707 3.1707 3.2640 3.2640 3.4225 3.4225 3.7922 3.7922 3.9393 3.9393 4.0390 4.0390 4.2183 4.2183 4.3214 4.3214 4.5085 4.5085 4.6972 4.6972 4.8640 4.8640 5.1703 5.1703 5.2980 5.2980 5.5049 5.5049 5.8060 5.8060 6.0780 6.0780 6.1607 6.1607 7.3351 7.3351 7.6790 7.6790 8.1340 8.1340 8.6461 8.6461 10.6053 10.6053 10.9384 10.9384 11.6435 11.6435 11.9631 11.9631 k = 0.0000 0.2123 0.1002 ( 13105 PWs) bands (ev): -77.7722 -77.7722 -77.7722 -77.7722 -46.6198 -46.6198 -46.6193 -46.6193 -42.3137 -42.3137 -42.3123 -42.3123 -41.9672 -41.9672 -41.9669 -41.9669 -6.9516 -6.9516 -6.5688 -6.5688 -6.3478 -6.3478 -6.0256 -6.0256 -4.9385 -4.9385 -4.0117 -4.0117 1.3862 1.3862 1.6397 1.6397 1.7882 1.7882 1.8979 1.8979 2.1960 2.1960 2.4791 2.4791 2.6013 2.6013 3.1530 3.1530 3.2509 3.2509 3.3974 3.3974 3.8090 3.8090 3.9470 3.9470 4.0498 4.0498 4.2206 4.2206 4.3261 4.3261 4.5176 4.5176 4.7235 4.7235 4.8858 4.8858 5.1730 5.1730 5.2900 5.2900 5.4815 5.4815 5.7671 5.7671 6.0625 6.0625 6.1422 6.1422 7.3186 7.3186 7.6598 7.6598 8.1481 8.1481 8.6529 8.6529 10.6509 10.6509 10.9671 10.9671 11.6722 11.6722 11.9733 11.9733 k = 0.0000 0.2248 0.1061 ( 13109 PWs) bands (ev): -77.7722 -77.7722 -77.7722 -77.7722 -46.6198 -46.6198 -46.6193 -46.6193 -42.3136 -42.3136 -42.3124 -42.3124 -41.9671 -41.9671 -41.9669 -41.9669 -6.9310 -6.9310 -6.5839 -6.5839 -6.3591 -6.3591 -6.0257 -6.0257 -4.9355 -4.9355 -4.0116 -4.0116 1.3775 1.3775 1.6860 1.6860 1.7901 1.7901 1.9012 1.9012 2.1924 2.1924 2.4663 2.4663 2.6074 2.6074 3.1184 3.1184 3.2439 3.2439 3.3790 3.3790 3.8160 3.8160 3.9571 3.9571 4.0668 4.0668 4.2249 4.2249 4.3349 4.3349 4.5271 4.5271 4.7506 4.7506 4.9086 4.9086 5.1761 5.1761 5.2804 5.2804 5.4579 5.4579 5.7236 5.7236 6.0470 6.0470 6.1232 6.1232 7.3105 7.3105 7.6382 7.6382 8.1619 8.1619 8.6591 8.6591 10.6970 10.6970 10.9912 10.9912 11.6947 11.6947 11.9841 11.9841 k = 0.0000 0.2373 0.1120 ( 13111 PWs) bands (ev): -77.7722 -77.7722 -77.7722 -77.7722 -46.6198 -46.6198 -46.6193 -46.6193 -42.3136 -42.3136 -42.3125 -42.3125 -41.9671 -41.9671 -41.9669 -41.9669 -6.9103 -6.9103 -6.5998 -6.5998 -6.3691 -6.3691 -6.0260 -6.0260 -4.9328 -4.9328 -4.0114 -4.0114 1.3697 1.3697 1.7162 1.7162 1.8074 1.8074 1.9062 1.9062 2.1900 2.1900 2.4513 2.4513 2.6134 2.6134 3.0736 3.0736 3.2409 3.2409 3.3657 3.3657 3.8164 3.8164 3.9665 3.9665 4.0859 4.0859 4.2310 4.2310 4.3498 4.3498 4.5373 4.5373 4.7779 4.7779 4.9314 4.9314 5.1797 5.1797 5.2700 5.2700 5.4344 5.4344 5.6758 5.6758 6.0319 6.0319 6.1050 6.1050 7.3108 7.3108 7.6143 7.6143 8.1749 8.1749 8.6648 8.6648 10.7429 10.7429 11.0097 11.0097 11.7114 11.7114 11.9960 11.9960 k = 0.0000 0.2498 0.1179 ( 13111 PWs) bands (ev): -77.7722 -77.7722 -77.7722 -77.7722 -46.6197 -46.6197 -46.6194 -46.6194 -42.3135 -42.3135 -42.3126 -42.3126 -41.9671 -41.9671 -41.9669 -41.9669 -6.8898 -6.8898 -6.6161 -6.6161 -6.3777 -6.3777 -6.0262 -6.0262 -4.9303 -4.9303 -4.0113 -4.0113 1.3629 1.3629 1.7260 1.7260 1.8425 1.8425 1.9134 1.9134 2.1900 2.1900 2.4340 2.4340 2.6186 2.6186 3.0254 3.0254 3.2396 3.2396 3.3557 3.3557 3.8137 3.8137 3.9741 3.9741 4.1021 4.1021 4.2374 4.2374 4.3717 4.3717 4.5485 4.5485 4.8053 4.8053 4.9528 4.9528 5.1839 5.1839 5.2597 5.2597 5.4119 5.4119 5.6246 5.6246 6.0174 6.0174 6.0886 6.0886 7.3188 7.3188 7.5882 7.5882 8.1867 8.1867 8.6698 8.6698 10.7880 10.7880 11.0217 11.0217 11.7233 11.7233 12.0091 12.0091 k = 0.0000 0.2623 0.1238 ( 13105 PWs) bands (ev): -77.7722 -77.7722 -77.7722 -77.7722 -46.6197 -46.6197 -46.6194 -46.6194 -42.3134 -42.3134 -42.3126 -42.3126 -41.9671 -41.9671 -41.9669 -41.9669 -6.8700 -6.8700 -6.6325 -6.6325 -6.3848 -6.3848 -6.0265 -6.0265 -4.9281 -4.9281 -4.0113 -4.0113 1.3573 1.3573 1.7260 1.7260 1.8785 1.8785 1.9263 1.9263 2.1937 2.1937 2.4139 2.4139 2.6227 2.6227 2.9791 2.9791 3.2390 3.2390 3.3482 3.3482 3.8099 3.8099 3.9800 3.9800 4.1133 4.1133 4.2427 4.2427 4.3983 4.3983 4.5609 4.5609 4.8330 4.8330 4.9703 4.9703 5.1884 5.1884 5.2510 5.2510 5.3914 5.3914 5.5715 5.5715 6.0042 6.0042 6.0749 6.0749 7.3333 7.3333 7.5602 7.5602 8.1968 8.1968 8.6740 8.6740 10.8315 10.8315 11.0266 11.0266 11.7315 11.7315 12.0225 12.0225 k = 0.0000 0.2748 0.1297 ( 13106 PWs) bands (ev): -77.7722 -77.7722 -77.7722 -77.7722 -46.6197 -46.6197 -46.6194 -46.6194 -42.3133 -42.3133 -42.3127 -42.3127 -41.9671 -41.9671 -41.9670 -41.9670 -6.8518 -6.8518 -6.6481 -6.6481 -6.3904 -6.3904 -6.0268 -6.0268 -4.9264 -4.9264 -4.0112 -4.0112 1.3529 1.3529 1.7235 1.7235 1.8994 1.8994 1.9506 1.9506 2.2031 2.2031 2.3906 2.3906 2.6255 2.6255 2.9388 2.9388 3.2387 3.2387 3.3424 3.3424 3.8062 3.8062 3.9845 3.9845 4.1200 4.1200 4.2462 4.2462 4.4244 4.4244 4.5744 4.5744 4.8615 4.8615 4.9809 4.9809 5.1927 5.1927 5.2457 5.2457 5.3753 5.3753 5.5189 5.5189 5.9930 5.9930 6.0643 6.0643 7.3533 7.3533 7.5309 7.5309 8.2050 8.2050 8.6773 8.6773 10.8725 10.8725 11.0242 11.0242 11.7370 11.7370 12.0347 12.0347 k = 0.0000 0.2873 0.1356 ( 13097 PWs) bands (ev): -77.7722 -77.7722 -77.7722 -77.7722 -46.6196 -46.6196 -46.6194 -46.6194 -42.3133 -42.3133 -42.3128 -42.3128 -41.9671 -41.9671 -41.9670 -41.9670 -6.8363 -6.8363 -6.6617 -6.6617 -6.3943 -6.3943 -6.0270 -6.0270 -4.9252 -4.9252 -4.0112 -4.0112 1.3497 1.3497 1.7209 1.7209 1.9080 1.9080 1.9771 1.9771 2.2195 2.2195 2.3641 2.3641 2.6271 2.6271 2.9077 2.9077 3.2386 3.2386 3.3384 3.3384 3.8032 3.8032 3.9878 3.9878 4.1238 4.1238 4.2483 4.2483 4.4452 4.4452 4.5874 4.5874 4.8911 4.8911 4.9812 4.9812 5.1959 5.1959 5.2450 5.2450 5.3665 5.3665 5.4699 5.4699 5.9844 5.9844 6.0568 6.0568 7.3772 7.3772 7.5009 7.5009 8.2110 8.2110 8.6798 8.6798 10.9102 10.9102 11.0146 11.0146 11.7407 11.7407 12.0444 12.0444 k = 0.0000 0.2998 0.1415 ( 13105 PWs) bands (ev): -77.7722 -77.7722 -77.7722 -77.7722 -46.6196 -46.6196 -46.6195 -46.6195 -42.3132 -42.3132 -42.3129 -42.3129 -41.9671 -41.9671 -41.9670 -41.9670 -6.8256 -6.8256 -6.6714 -6.6714 -6.3967 -6.3967 -6.0271 -6.0271 -4.9244 -4.9244 -4.0112 -4.0112 1.3478 1.3478 1.7190 1.7190 1.9119 1.9119 1.9949 1.9949 2.2406 2.2406 2.3375 2.3375 2.6279 2.6279 2.8882 2.8882 3.2386 3.2386 3.3359 3.3359 3.8014 3.8014 3.9897 3.9897 4.1256 4.1256 4.2494 4.2494 4.4579 4.4579 4.5973 4.5973 4.9208 4.9208 4.9698 4.9698 5.1978 5.1978 5.2472 5.2472 5.3683 5.3683 5.4288 5.4288 5.9789 5.9789 6.0524 6.0524 7.4030 7.4030 7.4716 7.4716 8.2147 8.2147 8.6812 8.6812 10.9433 10.9433 10.9986 10.9986 11.7428 11.7428 12.0506 12.0506 k = 0.0000 0.3122 0.1474 ( 13108 PWs) bands (ev): -77.7722 -77.7722 -77.7722 -77.7722 -46.6196 -46.6196 -46.6195 -46.6195 -42.3132 -42.3132 -42.3129 -42.3129 -41.9671 -41.9671 -41.9670 -41.9670 -6.8216 -6.8216 -6.6750 -6.6750 -6.3975 -6.3975 -6.0272 -6.0272 -4.9241 -4.9241 -4.0112 -4.0112 1.3471 1.3471 1.7184 1.7184 1.9130 1.9130 2.0010 2.0010 2.2532 2.2532 2.3232 2.3232 2.6280 2.6280 2.8816 2.8816 3.2386 3.2386 3.3350 3.3350 3.8007 3.8007 3.9904 3.9904 4.1261 4.1261 4.2497 4.2497 4.4621 4.4621 4.6009 4.6009 4.9463 4.9463 4.9506 4.9506 5.1984 5.1984 5.2485 5.2485 5.3757 5.3757 5.4075 5.4075 5.9771 5.9771 6.0510 6.0510 7.4207 7.4207 7.4528 7.4528 8.2160 8.2160 8.6817 8.6817 10.9646 10.9646 10.9830 10.9830 11.7435 11.7435 12.0527 12.0527 k = 0.5000 0.2428 0.0919 ( 13158 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6192 -46.6192 -42.3144 -42.3144 -42.3119 -42.3119 -41.9673 -41.9673 -41.9673 -41.9673 -6.5392 -6.5392 -6.3338 -6.3338 -6.1670 -6.1670 -6.0129 -6.0129 -4.7524 -4.7524 -4.2936 -4.2936 1.0278 1.0278 1.0754 1.0754 1.4291 1.4291 1.8591 1.8591 2.0623 2.0623 2.3447 2.3447 2.5476 2.5476 2.6985 2.6985 2.9241 2.9241 3.2100 3.2100 3.5948 3.5948 3.8695 3.8695 4.0654 4.0654 4.0765 4.0765 4.1717 4.1717 4.3416 4.3416 4.3634 4.3634 4.6677 4.6677 4.6973 4.6973 5.2516 5.2516 5.3620 5.3620 5.8628 5.8628 5.9743 5.9743 6.3123 6.3123 6.9184 6.9184 7.7189 7.7189 7.8748 7.8748 8.2912 8.2912 10.1132 10.1132 10.8367 10.8367 11.7122 11.7122 11.8765 11.8765 k = 0.4878 0.2369 0.0896 ( 13158 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6192 -46.6192 -42.3144 -42.3144 -42.3119 -42.3119 -41.9673 -41.9673 -41.9673 -41.9673 -6.5405 -6.5405 -6.3340 -6.3340 -6.1670 -6.1670 -6.0127 -6.0127 -4.7529 -4.7529 -4.2928 -4.2928 1.0284 1.0284 1.0760 1.0760 1.4297 1.4297 1.8596 1.8596 2.0624 2.0624 2.3440 2.3440 2.5492 2.5492 2.6992 2.6992 2.9249 2.9249 3.2107 3.2107 3.5929 3.5929 3.8698 3.8698 4.0629 4.0629 4.0781 4.0781 4.1698 4.1698 4.3377 4.3377 4.3700 4.3700 4.6668 4.6668 4.6995 4.6995 5.2475 5.2475 5.3658 5.3658 5.8621 5.8621 5.9737 5.9737 6.3110 6.3110 6.9207 6.9207 7.7212 7.7212 7.8756 7.8756 8.2917 8.2917 10.1174 10.1174 10.8385 10.8385 11.7112 11.7112 11.8779 11.8779 k = 0.4756 0.2309 0.0874 ( 13150 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6192 -46.6192 -42.3144 -42.3144 -42.3119 -42.3119 -41.9673 -41.9673 -41.9673 -41.9673 -6.5444 -6.5444 -6.3344 -6.3344 -6.1671 -6.1671 -6.0120 -6.0120 -4.7543 -4.7543 -4.2906 -4.2906 1.0301 1.0301 1.0777 1.0777 1.4315 1.4315 1.8612 1.8612 2.0629 2.0629 2.3419 2.3419 2.5538 2.5538 2.7012 2.7012 2.9274 2.9274 3.2130 3.2130 3.5874 3.5874 3.8705 3.8705 4.0578 4.0578 4.0809 4.0809 4.1642 4.1642 4.3314 4.3314 4.3837 4.3837 4.6648 4.6648 4.7055 4.7055 5.2368 5.2368 5.3754 5.3754 5.8597 5.8597 5.9718 5.9718 6.3072 6.3072 6.9276 6.9276 7.7280 7.7280 7.8782 7.8782 8.2931 8.2931 10.1298 10.1298 10.8439 10.8439 11.7085 11.7085 11.8821 11.8821 k = 0.4634 0.2250 0.0851 ( 13147 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6192 -46.6192 -42.3144 -42.3144 -42.3119 -42.3119 -41.9673 -41.9673 -41.9673 -41.9673 -6.5509 -6.5509 -6.3352 -6.3352 -6.1673 -6.1673 -6.0109 -6.0109 -4.7566 -4.7566 -4.2870 -4.2870 1.0331 1.0331 1.0807 1.0807 1.4345 1.4345 1.8636 1.8636 2.0636 2.0636 2.3386 2.3386 2.5610 2.5610 2.7046 2.7046 2.9316 2.9316 3.2165 3.2165 3.5786 3.5786 3.8716 3.8716 4.0516 4.0516 4.0832 4.0832 4.1560 4.1560 4.3260 4.3260 4.4005 4.4005 4.6627 4.6627 4.7140 4.7140 5.2225 5.2225 5.3881 5.3881 5.8559 5.8559 5.9686 5.9686 6.3012 6.3012 6.9391 6.9391 7.7389 7.7389 7.8826 7.8826 8.2955 8.2955 10.1503 10.1503 10.8527 10.8527 11.7042 11.7042 11.8890 11.8890 k = 0.4512 0.2191 0.0829 ( 13144 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6192 -46.6192 -42.3144 -42.3144 -42.3119 -42.3119 -41.9673 -41.9673 -41.9673 -41.9673 -6.5598 -6.5598 -6.3362 -6.3362 -6.1675 -6.1675 -6.0095 -6.0095 -4.7597 -4.7597 -4.2821 -4.2821 1.0371 1.0371 1.0849 1.0849 1.4387 1.4387 1.8670 1.8670 2.0648 2.0648 2.3344 2.3344 2.5700 2.5700 2.7095 2.7095 2.9376 2.9376 3.2213 3.2213 3.5670 3.5670 3.8730 3.8730 4.0450 4.0450 4.0843 4.0843 4.1464 4.1464 4.3216 4.3216 4.4191 4.4191 4.6610 4.6610 4.7241 4.7241 5.2070 5.2070 5.4016 5.4016 5.8509 5.8509 5.9641 5.9641 6.2933 6.2933 6.9551 6.9551 7.7532 7.7532 7.8887 7.8887 8.2989 8.2989 10.1788 10.1788 10.8648 10.8648 11.6990 11.6990 11.8986 11.8986 k = 0.4390 0.2132 0.0807 ( 13139 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6192 -46.6192 -42.3144 -42.3144 -42.3119 -42.3119 -41.9673 -41.9673 -41.9673 -41.9673 -6.5709 -6.5709 -6.3375 -6.3375 -6.1678 -6.1678 -6.0078 -6.0078 -4.7637 -4.7637 -4.2759 -4.2759 1.0423 1.0423 1.0904 1.0904 1.4439 1.4439 1.8713 1.8713 2.0662 2.0662 2.3294 2.3294 2.5802 2.5802 2.7162 2.7162 2.9458 2.9458 3.2271 3.2271 3.5531 3.5531 3.8744 3.8744 4.0384 4.0384 4.0842 4.0842 4.1366 4.1366 4.3180 4.3180 4.4387 4.4387 4.6597 4.6597 4.7353 4.7353 5.1920 5.1920 5.4147 5.4147 5.8447 5.8447 5.9582 5.9582 6.2840 6.2840 6.9754 6.9754 7.7701 7.7701 7.8966 7.8966 8.3037 8.3037 10.2147 10.2147 10.8797 10.8797 11.6934 11.6934 11.9107 11.9107 k = 0.4268 0.2072 0.0784 ( 13139 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6192 -46.6192 -42.3144 -42.3144 -42.3118 -42.3118 -41.9673 -41.9673 -41.9673 -41.9673 -6.5841 -6.5841 -6.3391 -6.3391 -6.1682 -6.1682 -6.0061 -6.0061 -4.7683 -4.7683 -4.2686 -4.2686 1.0484 1.0484 1.0972 1.0972 1.4503 1.4503 1.8763 1.8763 2.0681 2.0681 2.3240 2.3240 2.5904 2.5904 2.7249 2.7249 2.9563 2.9563 3.2335 3.2335 3.5377 3.5377 3.8758 3.8758 4.0320 4.0320 4.0825 4.0825 4.1275 4.1275 4.3150 4.3150 4.4586 4.4586 4.6590 4.6590 4.7470 4.7470 5.1785 5.1785 5.4265 5.4265 5.8377 5.8377 5.9507 5.9507 6.2740 6.2740 6.9998 6.9998 7.7888 7.7888 7.9063 7.9063 8.3098 8.3098 10.2579 10.2579 10.8971 10.8971 11.6880 11.6880 11.9252 11.9252 k = 0.4146 0.2013 0.0762 ( 13138 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6192 -46.6192 -42.3144 -42.3144 -42.3118 -42.3118 -41.9673 -41.9673 -41.9673 -41.9673 -6.5993 -6.5993 -6.3410 -6.3410 -6.1686 -6.1686 -6.0043 -6.0043 -4.7736 -4.7736 -4.2603 -4.2603 1.0555 1.0555 1.1054 1.1054 1.4576 1.4576 1.8818 1.8818 2.0704 2.0704 2.3185 2.3185 2.5999 2.5999 2.7354 2.7354 2.9694 2.9694 3.2404 3.2404 3.5216 3.5216 3.8769 3.8769 4.0260 4.0260 4.0793 4.0793 4.1200 4.1200 4.3123 4.3123 4.4786 4.4786 4.6586 4.6586 4.7588 4.7588 5.1675 5.1675 5.4366 5.4366 5.8301 5.8301 5.9415 5.9415 6.2641 6.2641 7.0279 7.0279 7.8083 7.8083 7.9179 7.9179 8.3176 8.3176 10.3075 10.3075 10.9167 10.9167 11.6834 11.6834 11.9418 11.9418 k = 0.4024 0.1954 0.0739 ( 13136 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6191 -46.6191 -42.3144 -42.3144 -42.3118 -42.3118 -41.9673 -41.9673 -41.9673 -41.9673 -6.6160 -6.6160 -6.3432 -6.3432 -6.1690 -6.1690 -6.0025 -6.0025 -4.7794 -4.7794 -4.2511 -4.2511 1.0634 1.0634 1.1149 1.1149 1.4658 1.4658 1.8878 1.8878 2.0731 2.0731 2.3132 2.3132 2.6080 2.6080 2.7475 2.7475 2.9852 2.9852 3.2474 3.2474 3.5058 3.5058 3.8777 3.8777 4.0206 4.0206 4.0747 4.0747 4.1142 4.1142 4.3099 4.3099 4.4980 4.4980 4.6585 4.6585 4.7704 4.7704 5.1596 5.1596 5.4449 5.4449 5.8221 5.8221 5.9306 5.9306 6.2548 6.2548 7.0595 7.0595 7.8275 7.8275 7.9313 7.9313 8.3272 8.3272 10.3631 10.3631 10.9378 10.9378 11.6801 11.6801 11.9603 11.9603 k = 0.3902 0.1895 0.0717 ( 13139 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6191 -46.6191 -42.3144 -42.3144 -42.3118 -42.3118 -41.9673 -41.9673 -41.9672 -41.9672 -6.6343 -6.6343 -6.3456 -6.3456 -6.1694 -6.1694 -6.0010 -6.0010 -4.7857 -4.7857 -4.2413 -4.2413 1.0721 1.0721 1.1258 1.1258 1.4749 1.4749 1.8941 1.8941 2.0763 2.0763 2.3083 2.3083 2.6145 2.6145 2.7606 2.7606 3.0039 3.0039 3.2542 3.2542 3.4913 3.4913 3.8779 3.8779 4.0158 4.0158 4.0696 4.0696 4.1101 4.1101 4.3077 4.3077 4.5165 4.5165 4.6586 4.6586 4.7816 4.7816 5.1554 5.1554 5.4514 5.4514 5.8136 5.8136 5.9179 5.9179 6.2468 6.2468 7.0940 7.0940 7.8459 7.8459 7.9461 7.9461 8.3386 8.3386 10.4238 10.4238 10.9600 10.9600 11.6785 11.6785 11.9802 11.9802 k = 0.3780 0.1836 0.0695 ( 13142 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6191 -46.6191 -42.3144 -42.3144 -42.3118 -42.3118 -41.9673 -41.9673 -41.9672 -41.9672 -6.6538 -6.6538 -6.3483 -6.3483 -6.1698 -6.1698 -5.9996 -5.9996 -4.7925 -4.7925 -4.2308 -4.2308 1.0813 1.0813 1.1382 1.1382 1.4848 1.4848 1.9003 1.9003 2.0799 2.0799 2.3040 2.3040 2.6195 2.6195 2.7739 2.7739 3.0251 3.0251 3.2605 3.2605 3.4794 3.4794 3.8775 3.8775 4.0116 4.0116 4.0645 4.0645 4.1072 4.1072 4.3058 4.3058 4.5335 4.5335 4.6591 4.6591 4.7923 4.7923 5.1552 5.1552 5.4564 5.4564 5.8045 5.8045 5.9041 5.9041 6.2403 6.2403 7.1311 7.1311 7.8630 7.8630 7.9620 7.9620 8.3522 8.3522 10.4885 10.4885 10.9829 10.9829 11.6787 11.6787 12.0009 12.0009 k = 0.3659 0.1776 0.0672 ( 13139 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6191 -46.6191 -42.3144 -42.3144 -42.3118 -42.3118 -41.9673 -41.9673 -41.9672 -41.9672 -6.6743 -6.6743 -6.3513 -6.3513 -6.1703 -6.1703 -5.9986 -5.9986 -4.7996 -4.7996 -4.2200 -4.2200 1.0910 1.0910 1.1519 1.1519 1.4953 1.4953 1.9065 1.9065 2.0839 2.0839 2.3008 2.3008 2.6231 2.6231 2.7868 2.7868 3.0482 3.0482 3.2660 3.2660 3.4713 3.4713 3.8763 3.8763 4.0081 4.0081 4.0603 4.0603 4.1055 4.1055 4.3040 4.3040 4.5480 4.5480 4.6603 4.6603 4.8028 4.8028 5.1590 5.1590 5.4602 5.4602 5.7942 5.7942 5.8896 5.8896 6.2354 6.2354 7.1704 7.1704 7.8788 7.8788 7.9782 7.9782 8.3676 8.3676 10.5562 10.5562 11.0061 11.0061 11.6807 11.6807 12.0217 12.0217 k = 0.3537 0.1717 0.0650 ( 13136 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6191 -46.6191 -42.3144 -42.3144 -42.3118 -42.3118 -41.9673 -41.9673 -41.9672 -41.9672 -6.6957 -6.6957 -6.3544 -6.3544 -6.1707 -6.1707 -5.9979 -5.9979 -4.8069 -4.8069 -4.2087 -4.2087 1.1010 1.1010 1.1670 1.1670 1.5064 1.5064 1.9122 1.9122 2.0881 2.0881 2.2986 2.2986 2.6257 2.6257 2.7988 2.7988 3.0720 3.0720 3.2708 3.2708 3.4682 3.4682 3.8745 3.8745 4.0051 4.0051 4.0573 4.0573 4.1048 4.1048 4.3026 4.3026 4.5591 4.5591 4.6630 4.6630 4.8133 4.8133 5.1666 5.1666 5.4633 5.4633 5.7823 5.7823 5.8757 5.8757 6.2320 6.2320 7.2114 7.2114 7.8932 7.8932 7.9942 7.9942 8.3849 8.3849 10.6255 10.6255 11.0291 11.0291 11.6841 11.6841 12.0415 12.0415 k = 0.3415 0.1658 0.0627 ( 13131 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6191 -46.6191 -42.3144 -42.3144 -42.3118 -42.3118 -41.9673 -41.9673 -41.9672 -41.9672 -6.7178 -6.7178 -6.3578 -6.3578 -6.1711 -6.1711 -5.9975 -5.9975 -4.8145 -4.8145 -4.1973 -4.1973 1.1111 1.1111 1.1833 1.1833 1.5182 1.5182 1.9175 1.9175 2.0927 2.0927 2.2976 2.2976 2.6275 2.6275 2.8097 2.8097 3.0949 3.0949 3.2751 3.2751 3.4715 3.4715 3.8720 3.8720 4.0025 4.0025 4.0558 4.0558 4.1054 4.1054 4.3014 4.3014 4.5656 4.5656 4.6679 4.6679 4.8241 4.8241 5.1780 5.1780 5.4663 5.4663 5.7683 5.7683 5.8631 5.8631 6.2297 6.2297 7.2538 7.2538 7.9065 7.9065 8.0094 8.0094 8.4035 8.4035 10.6948 10.6948 11.0518 11.0518 11.6882 11.6882 12.0589 12.0589 k = 0.3293 0.1599 0.0605 ( 13128 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6191 -46.6191 -42.3144 -42.3144 -42.3118 -42.3118 -41.9673 -41.9673 -41.9672 -41.9672 -6.7405 -6.7405 -6.3613 -6.3613 -6.1716 -6.1716 -5.9975 -5.9975 -4.8223 -4.8223 -4.1858 -4.1858 1.1212 1.1212 1.2009 1.2009 1.5304 1.5304 1.9222 1.9222 2.0973 2.0973 2.2979 2.2979 2.6288 2.6288 2.8198 2.8198 3.1148 3.1148 3.2799 3.2799 3.4818 3.4818 3.8689 3.8689 4.0002 4.0002 4.0557 4.0557 4.1074 4.1074 4.3004 4.3004 4.5671 4.5671 4.6753 4.6753 4.8357 4.8357 5.1927 5.1927 5.4697 5.4697 5.7522 5.7522 5.8523 5.8523 6.2282 6.2282 7.2971 7.2971 7.9189 7.9189 8.0234 8.0234 8.4229 8.4229 10.7624 10.7624 11.0741 11.0741 11.6922 11.6922 12.0719 12.0719 k = 0.3171 0.1540 0.0583 ( 13128 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6191 -46.6191 -42.3144 -42.3144 -42.3118 -42.3118 -41.9673 -41.9673 -41.9671 -41.9671 -6.7634 -6.7634 -6.3650 -6.3650 -6.1720 -6.1720 -5.9980 -5.9980 -4.8302 -4.8302 -4.1743 -4.1743 1.1309 1.1309 1.2195 1.2195 1.5431 1.5431 1.9263 1.9263 2.1021 2.1021 2.2994 2.2994 2.6298 2.6298 2.8292 2.8292 3.1302 3.1302 3.2861 3.2861 3.4993 3.4993 3.8653 3.8653 3.9981 3.9981 4.0567 4.0567 4.1113 4.1113 4.2997 4.2997 4.5641 4.5641 4.6843 4.6843 4.8484 4.8484 5.2104 5.2104 5.4739 5.4739 5.7348 5.7348 5.8435 5.8435 6.2271 6.2271 7.3409 7.3409 7.9303 7.9303 8.0360 8.0360 8.4426 8.4426 10.8261 10.8261 11.0958 11.0958 11.6950 11.6950 12.0780 12.0780 k = 0.3049 0.1480 0.0560 ( 13131 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6191 -46.6191 -42.3144 -42.3144 -42.3118 -42.3118 -41.9673 -41.9673 -41.9671 -41.9671 -6.7866 -6.7866 -6.3688 -6.3688 -6.1724 -6.1724 -5.9988 -5.9988 -4.8383 -4.8383 -4.1629 -4.1629 1.1400 1.1400 1.2391 1.2391 1.5563 1.5563 1.9296 1.9296 2.1069 2.1069 2.3017 2.3017 2.6305 2.6305 2.8384 2.8384 3.1402 3.1402 3.2942 3.2942 3.5237 3.5237 3.8615 3.8615 3.9962 3.9962 4.0584 4.0584 4.1175 4.1175 4.2991 4.2991 4.5576 4.5576 4.6939 4.6939 4.8626 4.8626 5.2308 5.2308 5.4789 5.4789 5.7172 5.7172 5.8362 5.8362 6.2260 6.2260 7.3849 7.3849 7.9408 7.9408 8.0473 8.0473 8.4619 8.4619 10.8838 10.8838 11.1170 11.1170 11.6958 11.6958 12.0744 12.0744 k = 0.2927 0.1421 0.0538 ( 13131 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6191 -46.6191 -42.3144 -42.3144 -42.3118 -42.3118 -41.9673 -41.9673 -41.9671 -41.9671 -6.8099 -6.8099 -6.3727 -6.3727 -6.1727 -6.1727 -5.9999 -5.9999 -4.8463 -4.8463 -4.1516 -4.1516 1.1484 1.1484 1.2595 1.2595 1.5701 1.5701 1.9323 1.9323 2.1117 2.1117 2.3048 2.3048 2.6311 2.6311 2.8478 2.8478 3.1452 3.1452 3.3045 3.3045 3.5540 3.5540 3.8575 3.8575 3.9944 3.9944 4.0606 4.0606 4.1264 4.1264 4.2986 4.2986 4.5486 4.5486 4.7031 4.7031 4.8785 4.8785 5.2535 5.2535 5.4844 5.4844 5.7009 5.7009 5.8301 5.8301 6.2245 6.2245 7.4286 7.4286 7.9505 7.9505 8.0572 8.0572 8.4800 8.4800 10.9329 10.9329 11.1379 11.1379 11.6942 11.6942 12.0589 12.0589 k = 0.2805 0.1362 0.0515 ( 13133 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6191 -46.6191 -42.3144 -42.3144 -42.3118 -42.3118 -41.9673 -41.9673 -41.9671 -41.9671 -6.8330 -6.8330 -6.3767 -6.3767 -6.1731 -6.1731 -6.0014 -6.0014 -4.8544 -4.8544 -4.1406 -4.1406 1.1559 1.1559 1.2804 1.2804 1.5845 1.5845 1.9343 1.9343 2.1167 2.1167 2.3081 2.3081 2.6315 2.6315 2.8579 2.8579 3.1465 3.1465 3.3164 3.3164 3.5884 3.5884 3.8536 3.8536 3.9928 3.9928 4.0630 4.0630 4.1382 4.1382 4.2982 4.2982 4.5379 4.5379 4.7111 4.7111 4.8966 4.8966 5.2779 5.2779 5.4899 5.4899 5.6878 5.6878 5.8249 5.8249 6.2224 6.2224 7.4717 7.4717 7.9592 7.9592 8.0659 8.0659 8.4966 8.4966 10.9703 10.9703 11.1591 11.1591 11.6898 11.6898 12.0310 12.0310 k = 0.2683 0.1303 0.0493 ( 13133 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6191 -46.6191 -42.3144 -42.3144 -42.3117 -42.3117 -41.9673 -41.9673 -41.9671 -41.9671 -6.8560 -6.8560 -6.3808 -6.3808 -6.1733 -6.1733 -6.0032 -6.0032 -4.8625 -4.8625 -4.1299 -4.1299 1.1622 1.1622 1.3017 1.3017 1.5995 1.5995 1.9358 1.9358 2.1218 2.1218 2.3114 2.3114 2.6318 2.6318 2.8691 2.8691 3.1455 3.1455 3.3296 3.3296 3.6255 3.6255 3.8499 3.8499 3.9913 3.9913 4.0654 4.0654 4.1530 4.1530 4.2976 4.2976 4.5264 4.5264 4.7176 4.7176 4.9167 4.9167 5.3034 5.3034 5.4943 5.4943 5.6796 5.6796 5.8207 5.8207 6.2195 6.2195 7.5136 7.5136 7.9670 7.9670 8.0732 8.0732 8.5110 8.5110 10.9932 10.9932 11.1815 11.1815 11.6824 11.6824 11.9923 11.9923 k = 0.2561 0.1243 0.0470 ( 13130 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6191 -46.6191 -42.3144 -42.3144 -42.3117 -42.3117 -41.9673 -41.9673 -41.9671 -41.9671 -6.8787 -6.8787 -6.3849 -6.3849 -6.1736 -6.1736 -6.0053 -6.0053 -4.8705 -4.8705 -4.1196 -4.1196 1.1671 1.1671 1.3230 1.3230 1.6154 1.6154 1.9368 1.9368 2.1272 2.1272 2.3142 2.3142 2.6319 2.6319 2.8815 2.8815 3.1437 3.1437 3.3437 3.3437 3.6634 3.6634 3.8466 3.8466 3.9901 3.9901 4.0680 4.0680 4.1704 4.1704 4.2970 4.2970 4.5147 4.5147 4.7225 4.7225 4.9389 4.9389 5.3285 5.3285 5.4974 5.4974 5.6780 5.6780 5.8176 5.8176 6.2158 6.2158 7.5540 7.5540 7.9737 7.9737 8.0793 8.0793 8.5231 8.5231 10.9993 10.9993 11.2057 11.2057 11.6713 11.6713 11.9464 11.9464 k = 0.2439 0.1184 0.0448 ( 13130 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6191 -46.6191 -42.3144 -42.3144 -42.3117 -42.3117 -41.9673 -41.9673 -41.9670 -41.9670 -6.9009 -6.9009 -6.3890 -6.3890 -6.1738 -6.1738 -6.0077 -6.0077 -4.8784 -4.8784 -4.1097 -4.1097 1.1707 1.1707 1.3441 1.3441 1.6322 1.6322 1.9374 1.9374 2.1329 2.1329 2.3163 2.3163 2.6319 2.6319 2.8949 2.8949 3.1420 3.1420 3.3586 3.3586 3.7007 3.7007 3.8439 3.8439 3.9891 3.9891 4.0706 4.0706 4.1899 4.1899 4.2967 4.2967 4.5035 4.5035 4.7260 4.7260 4.9630 4.9630 5.3510 5.3510 5.4998 5.4998 5.6833 5.6833 5.8162 5.8162 6.2113 6.2113 7.5923 7.5923 7.9793 7.9793 8.0841 8.0841 8.5327 8.5327 10.9884 10.9884 11.2310 11.2310 11.6558 11.6558 11.8979 11.8979 k = 0.2317 0.1125 0.0426 ( 13119 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6191 -46.6191 -42.3144 -42.3144 -42.3117 -42.3117 -41.9673 -41.9673 -41.9670 -41.9670 -6.9227 -6.9227 -6.3931 -6.3931 -6.1739 -6.1739 -6.0103 -6.0103 -4.8861 -4.8861 -4.1002 -4.1002 1.1728 1.1728 1.3646 1.3646 1.6500 1.6500 1.9377 1.9377 2.1389 2.1389 2.3176 2.3176 2.6319 2.6319 2.9089 2.9089 3.1416 3.1416 3.3742 3.3742 3.7358 3.7358 3.8421 3.8421 3.9886 3.9886 4.0732 4.0732 4.2103 4.2103 4.2975 4.2975 4.4934 4.4934 4.7285 4.7285 4.9887 4.9887 5.3679 5.3679 5.5046 5.5046 5.6948 5.6948 5.8175 5.8175 6.2062 6.2062 7.6281 7.6281 7.9835 7.9835 8.0878 8.0878 8.5400 8.5400 10.9620 10.9620 11.2550 11.2550 11.6355 11.6355 11.8504 11.8504 k = 0.2195 0.1066 0.0403 ( 13113 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3117 -42.3117 -41.9673 -41.9673 -41.9670 -41.9670 -6.9438 -6.9438 -6.3971 -6.3971 -6.1740 -6.1740 -6.0130 -6.0130 -4.8937 -4.8937 -4.0912 -4.0912 1.1734 1.1734 1.3842 1.3842 1.6689 1.6689 1.9377 1.9377 2.1452 2.1452 2.3178 2.3178 2.6319 2.6319 2.9227 2.9227 3.1434 3.1434 3.3903 3.3903 3.7675 3.7675 3.8418 3.8418 3.9887 3.9887 4.0759 4.0759 4.2288 4.2288 4.3015 4.3015 4.4854 4.4854 4.7303 4.7303 5.0156 5.0156 5.3761 5.3761 5.5146 5.5146 5.7106 5.7106 5.8226 5.8226 6.2006 6.2006 7.6606 7.6606 7.9861 7.9861 8.0906 8.0906 8.5451 8.5451 10.9225 10.9225 11.2741 11.2741 11.6116 11.6116 11.8064 11.8064 k = 0.2073 0.1007 0.0381 ( 13113 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3117 -42.3117 -41.9673 -41.9673 -41.9670 -41.9670 -6.9642 -6.9642 -6.4012 -6.4012 -6.1741 -6.1741 -6.0159 -6.0159 -4.9011 -4.9011 -4.0827 -4.0827 1.1727 1.1727 1.4027 1.4027 1.6889 1.6889 1.9377 1.9377 2.1518 2.1518 2.3172 2.3172 2.6320 2.6320 2.9351 2.9351 3.1483 3.1483 3.4067 3.4067 3.7936 3.7936 3.8444 3.8444 3.9895 3.9895 4.0787 4.0787 4.2412 4.2412 4.3120 4.3120 4.4801 4.4801 4.7316 4.7316 5.0431 5.0431 5.3753 5.3753 5.5301 5.5301 5.7289 5.7289 5.8332 5.8332 6.1948 6.1948 7.6894 7.6894 7.9865 7.9865 8.0930 8.0930 8.5485 8.5485 10.8727 10.8727 11.2830 11.2830 11.5883 11.5883 11.7662 11.7662 k = 0.1951 0.0947 0.0358 ( 13106 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3117 -42.3117 -41.9673 -41.9673 -41.9670 -41.9670 -6.9839 -6.9839 -6.4051 -6.4051 -6.1740 -6.1740 -6.0189 -6.0189 -4.9083 -4.9083 -4.0747 -4.0747 1.1706 1.1706 1.4198 1.4198 1.7099 1.7099 1.9376 1.9376 2.1587 2.1587 2.3157 2.3157 2.6324 2.6324 2.9451 2.9451 3.1572 3.1572 3.4233 3.4233 3.8113 3.8113 3.8526 3.8526 3.9913 3.9913 4.0814 4.0814 4.2459 4.2459 4.3298 4.3298 4.4784 4.4784 4.7328 4.7328 5.0708 5.0708 5.3679 5.3679 5.5480 5.5480 5.7486 5.7486 5.8502 5.8502 6.1894 6.1894 7.7138 7.7138 7.9840 7.9840 8.0959 8.0959 8.5506 8.5506 10.8156 10.8156 11.2756 11.2756 11.5709 11.5709 11.7299 11.7299 k = 0.1829 0.0888 0.0336 ( 13109 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3117 -42.3117 -41.9673 -41.9673 -41.9669 -41.9669 -7.0027 -7.0027 -6.4089 -6.4089 -6.1740 -6.1740 -6.0220 -6.0220 -4.9152 -4.9152 -4.0673 -4.0673 1.1675 1.1675 1.4353 1.4353 1.7317 1.7317 1.9377 1.9377 2.1657 2.1657 2.3137 2.3137 2.6331 2.6331 2.9516 2.9516 3.1702 3.1702 3.4399 3.4399 3.8201 3.8201 3.8666 3.8666 3.9941 3.9941 4.0843 4.0843 4.2452 4.2452 4.3512 4.3512 4.4810 4.4810 4.7342 4.7342 5.0979 5.0979 5.3569 5.3569 5.5651 5.5651 5.7700 5.7700 5.8732 5.8732 6.1848 6.1848 7.7333 7.7333 7.9779 7.9779 8.1003 8.1003 8.5518 8.5518 10.7539 10.7539 11.2481 11.2481 11.5597 11.5597 11.6999 11.6999 k = 0.1707 0.0829 0.0314 ( 13107 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3117 -42.3117 -41.9673 -41.9673 -41.9669 -41.9669 -7.0206 -7.0206 -6.4126 -6.4126 -6.1738 -6.1738 -6.0251 -6.0251 -4.9219 -4.9219 -4.0603 -4.0603 1.1634 1.1634 1.4492 1.4492 1.7539 1.7539 1.9381 1.9381 2.1727 2.1727 2.3115 2.3115 2.6342 2.6342 2.9545 2.9545 3.1869 3.1869 3.4563 3.4563 3.8248 3.8248 3.8820 3.8820 3.9982 3.9982 4.0875 4.0875 4.2425 4.2425 4.3723 4.3723 4.4883 4.4883 4.7360 4.7360 5.1235 5.1235 5.3440 5.3440 5.5794 5.5794 5.7941 5.7941 5.9006 5.9006 6.1817 6.1817 7.7473 7.7473 7.9679 7.9679 8.1068 8.1068 8.5526 8.5526 10.6901 10.6901 11.2028 11.2028 11.5442 11.5442 11.6840 11.6840 k = 0.1585 0.0770 0.0291 ( 13109 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3117 -42.3117 -41.9673 -41.9673 -41.9669 -41.9669 -7.0375 -7.0375 -6.4161 -6.4161 -6.1736 -6.1736 -6.0283 -6.0283 -4.9282 -4.9282 -4.0540 -4.0540 1.1586 1.1586 1.4613 1.4613 1.7761 1.7761 1.9391 1.9391 2.1798 2.1798 2.3093 2.3093 2.6357 2.6357 2.9540 2.9540 3.2060 3.2060 3.4724 3.4724 3.8286 3.8286 3.8955 3.8955 4.0033 4.0033 4.0913 4.0913 4.2395 4.2395 4.3910 4.3910 4.4996 4.4996 4.7388 4.7388 5.1464 5.1464 5.3304 5.3304 5.5913 5.5913 5.8208 5.8208 5.9304 5.9304 6.1810 6.1810 7.7558 7.7558 7.9541 7.9541 8.1158 8.1158 8.5532 8.5532 10.6265 10.6265 11.1451 11.1451 11.5125 11.5125 11.6887 11.6887 k = 0.1463 0.0711 0.0269 ( 13110 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3117 -42.3117 -41.9673 -41.9673 -41.9669 -41.9669 -7.0534 -7.0534 -6.4194 -6.4194 -6.1734 -6.1734 -6.0313 -6.0313 -4.9341 -4.9341 -4.0481 -4.0481 1.1532 1.1532 1.4718 1.4718 1.7975 1.7975 1.9410 1.9410 2.1868 2.1868 2.3076 2.3076 2.6376 2.6376 2.9504 2.9504 3.2261 3.2261 3.4884 3.4884 3.8327 3.8327 3.9063 3.9063 4.0090 4.0090 4.0957 4.0957 4.2378 4.2378 4.4072 4.4072 4.5131 4.5131 4.7431 4.7431 5.1656 5.1656 5.3167 5.3167 5.6021 5.6021 5.8491 5.8491 5.9608 5.9608 6.1834 6.1834 7.7587 7.7587 7.9372 7.9372 8.1270 8.1270 8.5538 8.5538 10.5649 10.5649 11.0799 11.0799 11.4652 11.4652 11.7088 11.7088 k = 0.1341 0.0651 0.0246 ( 13117 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3116 -42.3116 -41.9673 -41.9673 -41.9669 -41.9669 -7.0682 -7.0682 -6.4226 -6.4226 -6.1731 -6.1731 -6.0344 -6.0344 -4.9397 -4.9397 -4.0428 -4.0428 1.1474 1.1474 1.4807 1.4807 1.8172 1.8172 1.9442 1.9442 2.1938 2.1938 2.3065 2.3065 2.6399 2.6399 2.9443 2.9443 3.2455 3.2455 3.5046 3.5046 3.8376 3.8376 3.9145 3.9145 4.0146 4.0146 4.1008 4.1008 4.2383 4.2383 4.4218 4.4218 4.5262 4.5262 4.7496 4.7496 5.1797 5.1797 5.3032 5.3032 5.6137 5.6137 5.8772 5.8772 5.9907 5.9907 6.1898 6.1898 7.7563 7.7563 7.9181 7.9181 8.1397 8.1397 8.5547 8.5547 10.5067 10.5067 11.0111 11.0111 11.4077 11.4077 11.7360 11.7360 k = 0.1220 0.0592 0.0224 ( 13115 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3116 -42.3116 -41.9673 -41.9673 -41.9669 -41.9669 -7.0819 -7.0819 -6.4255 -6.4255 -6.1728 -6.1728 -6.0373 -6.0373 -4.9448 -4.9448 -4.0380 -4.0380 1.1415 1.1415 1.4882 1.4882 1.8345 1.8345 1.9491 1.9491 2.2008 2.2008 2.3062 2.3062 2.6425 2.6425 2.9364 2.9364 3.2626 3.2626 3.5214 3.5214 3.8434 3.8434 3.9206 3.9206 4.0198 4.0198 4.1061 4.1061 4.2420 4.2420 4.4359 4.4359 4.5368 4.5368 4.7585 4.7585 5.1878 5.1878 5.2901 5.2901 5.6277 5.6277 5.9030 5.9030 6.0196 6.0196 6.2006 6.2006 7.7494 7.7494 7.8978 7.8978 8.1533 8.1533 8.5557 8.5557 10.4532 10.4532 10.9416 10.9416 11.3438 11.3438 11.7651 11.7651 k = 0.1098 0.0533 0.0202 ( 13107 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.0944 -7.0944 -6.4283 -6.4283 -6.1724 -6.1724 -6.0400 -6.0400 -4.9496 -4.9496 -4.0336 -4.0336 1.1357 1.1357 1.4943 1.4943 1.8486 1.8486 1.9559 1.9559 2.2080 2.2080 2.3068 2.3068 2.6454 2.6454 2.9269 2.9269 3.2764 3.2764 3.5392 3.5392 3.8500 3.8500 3.9249 3.9249 4.0244 4.0244 4.1107 4.1107 4.2492 4.2492 4.4498 4.4498 4.5442 4.5442 4.7697 4.7697 5.1892 5.1892 5.2778 5.2778 5.6449 5.6449 5.9247 5.9247 6.0477 6.0477 6.2151 6.2151 7.7389 7.7389 7.8770 7.8770 8.1672 8.1672 8.5568 8.5568 10.4050 10.4050 10.8738 10.8738 11.2761 11.2761 11.7928 11.7928 k = 0.0976 0.0474 0.0179 ( 13105 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.1056 -7.1056 -6.4307 -6.4307 -6.1721 -6.1721 -6.0426 -6.0426 -4.9539 -4.9539 -4.0298 -4.0298 1.1300 1.1300 1.4993 1.4993 1.8591 1.8591 1.9643 1.9643 2.2156 2.2156 2.3082 2.3082 2.6486 2.6486 2.9164 2.9164 3.2862 3.2862 3.5580 3.5580 3.8572 3.8572 3.9278 3.9278 4.0286 4.0286 4.1138 4.1138 4.2598 4.2598 4.4632 4.4632 4.5495 4.5495 4.7825 4.7825 5.1837 5.1837 5.2668 5.2668 5.6651 5.6651 5.9414 5.9414 6.0758 6.0758 6.2323 6.2323 7.7262 7.7262 7.8564 7.8564 8.1808 8.1808 8.5581 8.5581 10.3628 10.3628 10.8096 10.8096 11.2070 11.2070 11.8166 11.8166 k = 0.0854 0.0414 0.0157 ( 13108 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.1157 -7.1157 -6.4330 -6.4330 -6.1717 -6.1717 -6.0450 -6.0450 -4.9577 -4.9577 -4.0265 -4.0265 1.1246 1.1246 1.5032 1.5032 1.8664 1.8664 1.9737 1.9737 2.2237 2.2237 2.3102 2.3102 2.6520 2.6520 2.9052 2.9052 3.2921 3.2921 3.5774 3.5774 3.8648 3.8648 3.9296 3.9296 4.0328 4.0328 4.1150 4.1150 4.2732 4.2732 4.4739 4.4739 4.5557 4.5557 4.7955 4.7955 5.1720 5.1720 5.2576 5.2576 5.6875 5.6875 5.9533 5.9533 6.1039 6.1039 6.2501 6.2501 7.7127 7.7127 7.8359 7.8359 8.1936 8.1936 8.5593 8.5593 10.3267 10.3267 10.7507 10.7507 11.1385 11.1385 11.8347 11.8347 k = 0.0732 0.0355 0.0134 ( 13124 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3145 -42.3145 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.1244 -7.1244 -6.4349 -6.4349 -6.1713 -6.1713 -6.0471 -6.0471 -4.9610 -4.9610 -4.0237 -4.0237 1.1197 1.1197 1.5063 1.5063 1.8713 1.8713 1.9830 1.9830 2.2324 2.2324 2.3124 2.3124 2.6555 2.6555 2.8938 2.8938 3.2946 3.2946 3.5969 3.5969 3.8727 3.8727 3.9305 3.9305 4.0372 4.0372 4.1142 4.1142 4.2884 4.2884 4.4787 4.4787 4.5670 4.5670 4.8073 4.8073 5.1555 5.1555 5.2502 5.2502 5.7107 5.7107 5.9611 5.9611 6.1315 6.1315 6.2668 6.2668 7.7000 7.7000 7.8159 7.8159 8.2053 8.2053 8.5605 8.5605 10.2967 10.2967 10.6987 10.6987 11.0726 11.0726 11.8465 11.8465 k = 0.0610 0.0296 0.0112 ( 13137 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3145 -42.3145 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.1319 -7.1319 -6.4366 -6.4366 -6.1710 -6.1710 -6.0490 -6.0490 -4.9639 -4.9639 -4.0213 -4.0213 1.1154 1.1154 1.5086 1.5086 1.8743 1.8743 1.9915 1.9915 2.2414 2.2414 2.3146 2.3146 2.6591 2.6591 2.8825 2.8825 3.2946 3.2946 3.6154 3.6154 3.8806 3.8806 3.9306 3.9306 4.0423 4.0423 4.1116 4.1116 4.3042 4.3042 4.4763 4.4763 4.5855 4.5855 4.8165 4.8165 5.1365 5.1365 5.2442 5.2442 5.7333 5.7333 5.9662 5.9662 6.1578 6.1578 6.2811 6.2811 7.6893 7.6893 7.7965 7.7965 8.2155 8.2155 8.5615 8.5615 10.2724 10.2724 10.6547 10.6547 11.0113 11.0113 11.8521 11.8521 k = 0.0488 0.0237 0.0090 ( 13128 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3145 -42.3145 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.1380 -7.1380 -6.4380 -6.4380 -6.1707 -6.1707 -6.0506 -6.0506 -4.9663 -4.9663 -4.0193 -4.0193 1.1117 1.1117 1.5104 1.5104 1.8763 1.8763 1.9985 1.9985 2.2502 2.2502 2.3166 2.3166 2.6626 2.6626 2.8720 2.8720 3.2931 3.2931 3.6320 3.6320 3.8883 3.8883 3.9300 3.9300 4.0480 4.0480 4.1074 4.1074 4.3197 4.3197 4.4686 4.4686 4.6096 4.6096 4.8216 4.8216 5.1172 5.1172 5.2393 5.2393 5.7539 5.7539 5.9696 5.9696 6.1820 6.1820 6.2921 6.2921 7.6815 7.6815 7.7780 7.7780 8.2241 8.2241 8.5623 8.5623 10.2533 10.2533 10.6194 10.6194 10.9567 10.9567 11.8531 11.8531 k = 0.0366 0.0178 0.0067 ( 13129 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3145 -42.3145 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.1428 -7.1428 -6.4390 -6.4390 -6.1705 -6.1705 -6.0518 -6.0518 -4.9681 -4.9681 -4.0178 -4.0178 1.1088 1.1088 1.5116 1.5116 1.8774 1.8774 2.0040 2.0040 2.2584 2.2584 2.3180 2.3180 2.6658 2.6658 2.8627 2.8627 3.2909 3.2909 3.6459 3.6459 3.8955 3.8955 3.9287 3.9287 4.0546 4.0546 4.1017 4.1017 4.3344 4.3344 4.4582 4.4582 4.6362 4.6362 4.8217 4.8217 5.0998 5.0998 5.2354 5.2354 5.7712 5.7712 5.9717 5.9717 6.2031 6.2031 6.2993 6.2993 7.6770 7.6770 7.7612 7.7612 8.2309 8.2309 8.5630 8.5630 10.2390 10.2390 10.5932 10.5932 10.9107 10.9107 11.8511 11.8511 k = 0.0244 0.0118 0.0045 ( 13118 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.1462 -7.1462 -6.4398 -6.4398 -6.1703 -6.1703 -6.0527 -6.0527 -4.9694 -4.9694 -4.0168 -4.0168 1.1066 1.1066 1.5125 1.5125 1.8781 1.8781 2.0078 2.0078 2.2651 2.2651 2.3189 2.3189 2.6685 2.6685 2.8555 2.8555 3.2888 3.2888 3.6563 3.6563 3.9018 3.9018 3.9269 3.9269 4.0618 4.0618 4.0951 4.0951 4.3472 4.3472 4.4474 4.4474 4.6620 4.6620 4.8171 4.8171 5.0864 5.0864 5.2326 5.2326 5.7842 5.7842 5.9731 5.9731 6.2199 6.2199 6.3032 6.3032 7.6754 7.6754 7.7470 7.7470 8.2358 8.2358 8.5634 8.5634 10.2291 10.2291 10.5755 10.5755 10.8756 10.8756 11.8481 11.8481 k = 0.0122 0.0059 0.0022 ( 13114 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.1482 -7.1482 -6.4403 -6.4403 -6.1702 -6.1702 -6.0533 -6.0533 -4.9702 -4.9702 -4.0161 -4.0161 1.1053 1.1053 1.5129 1.5129 1.8784 1.8784 2.0100 2.0100 2.2695 2.2695 2.3193 2.3193 2.6703 2.6703 2.8509 2.8509 3.2873 3.2873 3.6627 3.6627 3.9066 3.9066 3.9249 3.9249 4.0693 4.0693 4.0879 4.0879 4.3568 4.3568 4.4388 4.4388 4.6821 4.6821 4.8103 4.8103 5.0780 5.0780 5.2309 5.2309 5.7923 5.7923 5.9739 5.9739 6.2311 6.2311 6.3046 6.3046 7.6757 7.6757 7.7370 7.7370 8.2388 8.2388 8.5637 8.5637 10.2232 10.2232 10.5655 10.5655 10.8534 10.8534 11.8455 11.8455 k = 0.0000 0.0000 0.0000 ( 13115 PWs) bands (ev): -77.7723 -77.7723 -77.7721 -77.7721 -46.6201 -46.6201 -46.6190 -46.6190 -42.3144 -42.3144 -42.3116 -42.3116 -41.9673 -41.9673 -41.9668 -41.9668 -7.1489 -7.1489 -6.4404 -6.4404 -6.1701 -6.1701 -6.0535 -6.0535 -4.9705 -4.9705 -4.0159 -4.0159 1.1049 1.1049 1.5131 1.5131 1.8785 1.8785 2.0108 2.0108 2.2711 2.2711 2.3194 2.3194 2.6709 2.6709 2.8493 2.8493 3.2868 3.2868 3.6649 3.6649 3.9085 3.9085 3.9239 3.9239 4.0743 4.0743 4.0829 4.0829 4.3605 4.3605 4.4353 4.4353 4.6901 4.6901 4.8069 4.8069 5.0752 5.0752 5.2303 5.2303 5.7951 5.7951 5.9741 5.9741 6.2351 6.2351 6.3048 6.3048 7.6762 7.6762 7.7333 7.7333 8.2398 8.2398 8.5638 8.5638 10.2213 10.2213 10.5624 10.5624 10.8458 10.8458 11.8446 11.8446 Writing output data file TePdI2.save init_run : 0.90s CPU 1.11s WALL ( 1 calls) electrons : 458.38s CPU 462.61s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.06s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 458.38s CPU 462.60s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.25s CPU 0.39s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.11s CPU 0.12s WALL ( 235 calls) cegterg : 421.26s CPU 424.63s WALL ( 242 calls) Called by sum_band: Called by *egterg: h_psi : 258.18s CPU 261.60s WALL ( 4762 calls) s_psi : 19.61s CPU 19.64s WALL ( 4762 calls) g_psi : 0.43s CPU 0.42s WALL ( 4285 calls) cdiaghg : 127.37s CPU 127.55s WALL ( 4520 calls) cegterg:over : 19.70s CPU 19.86s WALL ( 4285 calls) cegterg:upda : 14.45s CPU 14.49s WALL ( 4285 calls) cegterg:last : 8.49s CPU 8.48s WALL ( 712 calls) cdiaghg:chol : 5.14s CPU 5.04s WALL ( 4520 calls) cdiaghg:inve : 3.92s CPU 3.99s WALL ( 4520 calls) cdiaghg:para : 8.28s CPU 8.37s WALL ( 9040 calls) Called by h_psi: h_psi:vloc : 227.48s CPU 230.62s WALL ( 4762 calls) h_psi:vnl : 30.32s CPU 30.58s WALL ( 4762 calls) add_vuspsi : 16.06s CPU 16.18s WALL ( 4762 calls) General routines calbec : 14.24s CPU 14.39s WALL ( 4762 calls) fft : 0.06s CPU 0.07s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 217.42s CPU 220.39s WALL ( 856728 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.22s CPU 0.35s WALL ( 470 calls) Parallel routines fft_scatter : 128.75s CPU 130.62s WALL ( 856751 calls) PWSCF : 8m42.76s CPU 9m 7.05s WALL This run was terminated on: 1:23:20 1Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=