Program PWSCF v.5.4.0 starts on 4Aug2017 at 0:27:10 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 & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./H3C2N.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 82 46 12 4431 1856 272 Max 83 47 13 4434 1890 280 Sum 2957 1661 465 159541 67293 9955 bravais-lattice index = 14 lattice parameter (alat) = 10.2457 a.u. unit-cell volume = 1597.6141 (a.u.)^3 number of atoms/cell = 24 number of atomic types = 3 number of electrons = 64.00 number of Kohn-Sham states= 76 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.245716 celldm(2)= 1.135527 celldm(3)= 1.406821 celldm(4)= 0.195501 celldm(5)= 0.146204 celldm(6)= 0.305380 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.346767 1.081284 0.000000 ) a(3) = ( 0.205683 0.222870 1.373742 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.320699 -0.097695 ) b(2) = ( 0.000000 0.924827 -0.150040 ) b(3) = ( 0.000000 0.000000 0.727939 ) PseudoPot. # 1 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential H 1.00 1.00790 H( 1.00) C 4.00 12.01070 C( 1.00) N 5.00 14.00670 N( 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= 228 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.5000000 -0.1603496 -0.0488477), wk = 0.0043860 k( 2) = ( 0.4838710 -0.1551770 -0.0472720), wk = 0.0043860 k( 3) = ( 0.4677419 -0.1500044 -0.0456963), wk = 0.0043860 k( 4) = ( 0.4516129 -0.1448319 -0.0441205), wk = 0.0043860 k( 5) = ( 0.4354839 -0.1396593 -0.0425448), wk = 0.0043860 k( 6) = ( 0.4193548 -0.1344867 -0.0409691), wk = 0.0043860 k( 7) = ( 0.4032258 -0.1293142 -0.0393933), wk = 0.0043860 k( 8) = ( 0.3870968 -0.1241416 -0.0378176), wk = 0.0043860 k( 9) = ( 0.3709677 -0.1189690 -0.0362419), wk = 0.0043860 k( 10) = ( 0.3548387 -0.1137965 -0.0346661), wk = 0.0043860 k( 11) = ( 0.3387097 -0.1086239 -0.0330904), wk = 0.0043860 k( 12) = ( 0.3225807 -0.1034513 -0.0315147), wk = 0.0043860 k( 13) = ( 0.3064516 -0.0982788 -0.0299389), wk = 0.0043860 k( 14) = ( 0.2903226 -0.0931062 -0.0283632), wk = 0.0043860 k( 15) = ( 0.2741936 -0.0879336 -0.0267875), wk = 0.0043860 k( 16) = ( 0.2580645 -0.0827611 -0.0252117), wk = 0.0043860 k( 17) = ( 0.2419355 -0.0775885 -0.0236360), wk = 0.0043860 k( 18) = ( 0.2258064 -0.0724159 -0.0220603), wk = 0.0043860 k( 19) = ( 0.2096774 -0.0672434 -0.0204845), wk = 0.0043860 k( 20) = ( 0.1935484 -0.0620708 -0.0189088), wk = 0.0043860 k( 21) = ( 0.1774194 -0.0568982 -0.0173331), wk = 0.0043860 k( 22) = ( 0.1612903 -0.0517257 -0.0157573), wk = 0.0043860 k( 23) = ( 0.1451613 -0.0465531 -0.0141816), wk = 0.0043860 k( 24) = ( 0.1290323 -0.0413805 -0.0126059), wk = 0.0043860 k( 25) = ( 0.1129032 -0.0362080 -0.0110301), wk = 0.0043860 k( 26) = ( 0.0967742 -0.0310354 -0.0094544), wk = 0.0043860 k( 27) = ( 0.0806452 -0.0258628 -0.0078787), wk = 0.0043860 k( 28) = ( 0.0645161 -0.0206903 -0.0063029), wk = 0.0043860 k( 29) = ( 0.0483871 -0.0155177 -0.0047272), wk = 0.0043860 k( 30) = ( 0.0322581 -0.0103451 -0.0031515), wk = 0.0043860 k( 31) = ( 0.0161290 -0.0051726 -0.0015757), wk = 0.0043860 k( 32) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043860 k( 33) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043860 k( 34) = ( 0.0000000 0.0165148 -0.0026793), wk = 0.0043860 k( 35) = ( 0.0000000 0.0330295 -0.0053586), wk = 0.0043860 k( 36) = ( 0.0000000 0.0495443 -0.0080379), wk = 0.0043860 k( 37) = ( 0.0000000 0.0660591 -0.0107171), wk = 0.0043860 k( 38) = ( 0.0000000 0.0825738 -0.0133964), wk = 0.0043860 k( 39) = ( 0.0000000 0.0990886 -0.0160757), wk = 0.0043860 k( 40) = ( 0.0000000 0.1156033 -0.0187550), wk = 0.0043860 k( 41) = ( 0.0000000 0.1321181 -0.0214343), wk = 0.0043860 k( 42) = ( 0.0000000 0.1486329 -0.0241136), wk = 0.0043860 k( 43) = ( 0.0000000 0.1651476 -0.0267928), wk = 0.0043860 k( 44) = ( 0.0000000 0.1816624 -0.0294721), wk = 0.0043860 k( 45) = ( 0.0000000 0.1981772 -0.0321514), wk = 0.0043860 k( 46) = ( 0.0000000 0.2146919 -0.0348307), wk = 0.0043860 k( 47) = ( 0.0000000 0.2312067 -0.0375100), wk = 0.0043860 k( 48) = ( 0.0000000 0.2477214 -0.0401893), wk = 0.0043860 k( 49) = ( 0.0000000 0.2642362 -0.0428686), wk = 0.0043860 k( 50) = ( 0.0000000 0.2807510 -0.0455478), wk = 0.0043860 k( 51) = ( 0.0000000 0.2972657 -0.0482271), wk = 0.0043860 k( 52) = ( 0.0000000 0.3137805 -0.0509064), wk = 0.0043860 k( 53) = ( 0.0000000 0.3302953 -0.0535857), wk = 0.0043860 k( 54) = ( 0.0000000 0.3468100 -0.0562650), wk = 0.0043860 k( 55) = ( 0.0000000 0.3633248 -0.0589443), wk = 0.0043860 k( 56) = ( 0.0000000 0.3798396 -0.0616236), wk = 0.0043860 k( 57) = ( 0.0000000 0.3963543 -0.0643028), wk = 0.0043860 k( 58) = ( 0.0000000 0.4128691 -0.0669821), wk = 0.0043860 k( 59) = ( 0.0000000 0.4293838 -0.0696614), wk = 0.0043860 k( 60) = ( 0.0000000 0.4458986 -0.0723407), wk = 0.0043860 k( 61) = ( 0.0000000 0.4624134 -0.0750200), wk = 0.0043860 k( 62) = ( 0.5000000 0.3020638 -0.1238677), wk = 0.0043860 k( 63) = ( 0.4857143 0.2934334 -0.1203286), wk = 0.0043860 k( 64) = ( 0.4714286 0.2848030 -0.1167896), wk = 0.0043860 k( 65) = ( 0.4571429 0.2761726 -0.1132505), wk = 0.0043860 k( 66) = ( 0.4428571 0.2675422 -0.1097114), wk = 0.0043860 k( 67) = ( 0.4285714 0.2589118 -0.1061723), wk = 0.0043860 k( 68) = ( 0.4142857 0.2502814 -0.1026332), wk = 0.0043860 k( 69) = ( 0.4000000 0.2416510 -0.0990942), wk = 0.0043860 k( 70) = ( 0.3857143 0.2330207 -0.0955551), wk = 0.0043860 k( 71) = ( 0.3714286 0.2243903 -0.0920160), wk = 0.0043860 k( 72) = ( 0.3571429 0.2157599 -0.0884769), wk = 0.0043860 k( 73) = ( 0.3428571 0.2071295 -0.0849379), wk = 0.0043860 k( 74) = ( 0.3285714 0.1984991 -0.0813988), wk = 0.0043860 k( 75) = ( 0.3142857 0.1898687 -0.0778597), wk = 0.0043860 k( 76) = ( 0.3000000 0.1812383 -0.0743206), wk = 0.0043860 k( 77) = ( 0.2857143 0.1726079 -0.0707816), wk = 0.0043860 k( 78) = ( 0.2714286 0.1639775 -0.0672425), wk = 0.0043860 k( 79) = ( 0.2571429 0.1553471 -0.0637034), wk = 0.0043860 k( 80) = ( 0.2428571 0.1467167 -0.0601643), wk = 0.0043860 k( 81) = ( 0.2285714 0.1380863 -0.0566252), wk = 0.0043860 k( 82) = ( 0.2142857 0.1294559 -0.0530862), wk = 0.0043860 k( 83) = ( 0.2000000 0.1208255 -0.0495471), wk = 0.0043860 k( 84) = ( 0.1857143 0.1121951 -0.0460080), wk = 0.0043860 k( 85) = ( 0.1714286 0.1035647 -0.0424689), wk = 0.0043860 k( 86) = ( 0.1571429 0.0949343 -0.0389299), wk = 0.0043860 k( 87) = ( 0.1428571 0.0863039 -0.0353908), wk = 0.0043860 k( 88) = ( 0.1285714 0.0776736 -0.0318517), wk = 0.0043860 k( 89) = ( 0.1142857 0.0690432 -0.0283126), wk = 0.0043860 k( 90) = ( 0.1000000 0.0604128 -0.0247735), wk = 0.0043860 k( 91) = ( 0.0857143 0.0517824 -0.0212345), wk = 0.0043860 k( 92) = ( 0.0714286 0.0431520 -0.0176954), wk = 0.0043860 k( 93) = ( 0.0571429 0.0345216 -0.0141563), wk = 0.0043860 k( 94) = ( 0.0428571 0.0258912 -0.0106172), wk = 0.0043860 k( 95) = ( 0.0285714 0.0172608 -0.0070782), wk = 0.0043860 k( 96) = ( 0.0142857 0.0086304 -0.0035391), wk = 0.0043860 k( 97) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043860 k( 98) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043860 k( 99) = ( 0.0000000 0.0000000 0.0165441), wk = 0.0043860 k( 100) = ( 0.0000000 0.0000000 0.0330881), wk = 0.0043860 k( 101) = ( 0.0000000 0.0000000 0.0496322), wk = 0.0043860 k( 102) = ( 0.0000000 0.0000000 0.0661762), wk = 0.0043860 k( 103) = ( 0.0000000 0.0000000 0.0827203), wk = 0.0043860 k( 104) = ( 0.0000000 0.0000000 0.0992644), wk = 0.0043860 k( 105) = ( 0.0000000 0.0000000 0.1158084), wk = 0.0043860 k( 106) = ( 0.0000000 0.0000000 0.1323525), wk = 0.0043860 k( 107) = ( 0.0000000 0.0000000 0.1488965), wk = 0.0043860 k( 108) = ( 0.0000000 0.0000000 0.1654406), wk = 0.0043860 k( 109) = ( 0.0000000 0.0000000 0.1819846), wk = 0.0043860 k( 110) = ( 0.0000000 0.0000000 0.1985287), wk = 0.0043860 k( 111) = ( 0.0000000 0.0000000 0.2150728), wk = 0.0043860 k( 112) = ( 0.0000000 0.0000000 0.2316168), wk = 0.0043860 k( 113) = ( 0.0000000 0.0000000 0.2481609), wk = 0.0043860 k( 114) = ( 0.0000000 0.0000000 0.2647049), wk = 0.0043860 k( 115) = ( 0.0000000 0.0000000 0.2812490), wk = 0.0043860 k( 116) = ( 0.0000000 0.0000000 0.2977931), wk = 0.0043860 k( 117) = ( 0.0000000 0.0000000 0.3143371), wk = 0.0043860 k( 118) = ( 0.0000000 0.0000000 0.3308812), wk = 0.0043860 k( 119) = ( 0.0000000 0.0000000 0.3474252), wk = 0.0043860 k( 120) = ( 0.0000000 0.0000000 0.3639693), wk = 0.0043860 k( 121) = ( 0.5000000 -0.1603496 0.3151216), wk = 0.0043860 k( 122) = ( 0.4861111 -0.1558954 0.3063682), wk = 0.0043860 k( 123) = ( 0.4722222 -0.1514412 0.2976148), wk = 0.0043860 k( 124) = ( 0.4583333 -0.1469871 0.2888614), wk = 0.0043860 k( 125) = ( 0.4444444 -0.1425329 0.2801080), wk = 0.0043860 k( 126) = ( 0.4305556 -0.1380788 0.2713547), wk = 0.0043860 k( 127) = ( 0.4166667 -0.1336246 0.2626013), wk = 0.0043860 k( 128) = ( 0.4027778 -0.1291705 0.2538479), wk = 0.0043860 k( 129) = ( 0.3888889 -0.1247163 0.2450945), wk = 0.0043860 k( 130) = ( 0.3750000 -0.1202622 0.2363412), wk = 0.0043860 k( 131) = ( 0.3611111 -0.1158080 0.2275878), wk = 0.0043860 k( 132) = ( 0.3472222 -0.1113539 0.2188344), wk = 0.0043860 k( 133) = ( 0.3333333 -0.1068997 0.2100810), wk = 0.0043860 k( 134) = ( 0.3194444 -0.1024456 0.2013277), wk = 0.0043860 k( 135) = ( 0.3055556 -0.0979914 0.1925743), wk = 0.0043860 k( 136) = ( 0.2916667 -0.0935372 0.1838209), wk = 0.0043860 k( 137) = ( 0.2777778 -0.0890831 0.1750675), wk = 0.0043860 k( 138) = ( 0.2638889 -0.0846289 0.1663142), wk = 0.0043860 k( 139) = ( 0.2500000 -0.0801748 0.1575608), wk = 0.0043860 k( 140) = ( 0.2361111 -0.0757206 0.1488074), wk = 0.0043860 k( 141) = ( 0.2222222 -0.0712665 0.1400540), wk = 0.0043860 k( 142) = ( 0.2083333 -0.0668123 0.1313006), wk = 0.0043860 k( 143) = ( 0.1944444 -0.0623582 0.1225473), wk = 0.0043860 k( 144) = ( 0.1805556 -0.0579040 0.1137939), wk = 0.0043860 k( 145) = ( 0.1666667 -0.0534499 0.1050405), wk = 0.0043860 k( 146) = ( 0.1527778 -0.0489957 0.0962871), wk = 0.0043860 k( 147) = ( 0.1388889 -0.0445415 0.0875338), wk = 0.0043860 k( 148) = ( 0.1250000 -0.0400874 0.0787804), wk = 0.0043860 k( 149) = ( 0.1111111 -0.0356332 0.0700270), wk = 0.0043860 k( 150) = ( 0.0972222 -0.0311791 0.0612736), wk = 0.0043860 k( 151) = ( 0.0833333 -0.0267249 0.0525203), wk = 0.0043860 k( 152) = ( 0.0694444 -0.0222708 0.0437669), wk = 0.0043860 k( 153) = ( 0.0555556 -0.0178166 0.0350135), wk = 0.0043860 k( 154) = ( 0.0416667 -0.0133625 0.0262601), wk = 0.0043860 k( 155) = ( 0.0277778 -0.0089083 0.0175068), wk = 0.0043860 k( 156) = ( 0.0138889 -0.0044542 0.0087534), wk = 0.0043860 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043860 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043860 k( 159) = ( 0.0000000 0.0144504 0.0090297), wk = 0.0043860 k( 160) = ( 0.0000000 0.0289008 0.0180593), wk = 0.0043860 k( 161) = ( 0.0000000 0.0433513 0.0270890), wk = 0.0043860 k( 162) = ( 0.0000000 0.0578017 0.0361187), wk = 0.0043860 k( 163) = ( 0.0000000 0.0722521 0.0451483), wk = 0.0043860 k( 164) = ( 0.0000000 0.0867025 0.0541780), wk = 0.0043860 k( 165) = ( 0.0000000 0.1011529 0.0632077), wk = 0.0043860 k( 166) = ( 0.0000000 0.1156033 0.0722373), wk = 0.0043860 k( 167) = ( 0.0000000 0.1300538 0.0812670), wk = 0.0043860 k( 168) = ( 0.0000000 0.1445042 0.0902967), wk = 0.0043860 k( 169) = ( 0.0000000 0.1589546 0.0993263), wk = 0.0043860 k( 170) = ( 0.0000000 0.1734050 0.1083560), wk = 0.0043860 k( 171) = ( 0.0000000 0.1878554 0.1173857), wk = 0.0043860 k( 172) = ( 0.0000000 0.2023058 0.1264153), wk = 0.0043860 k( 173) = ( 0.0000000 0.2167563 0.1354450), wk = 0.0043860 k( 174) = ( 0.0000000 0.2312067 0.1444747), wk = 0.0043860 k( 175) = ( 0.0000000 0.2456571 0.1535043), wk = 0.0043860 k( 176) = ( 0.0000000 0.2601075 0.1625340), wk = 0.0043860 k( 177) = ( 0.0000000 0.2745579 0.1715637), wk = 0.0043860 k( 178) = ( 0.0000000 0.2890084 0.1805933), wk = 0.0043860 k( 179) = ( 0.0000000 0.3034588 0.1896230), wk = 0.0043860 k( 180) = ( 0.0000000 0.3179092 0.1986527), wk = 0.0043860 k( 181) = ( 0.0000000 0.3323596 0.2076823), wk = 0.0043860 k( 182) = ( 0.0000000 0.3468100 0.2167120), wk = 0.0043860 k( 183) = ( 0.0000000 0.3612604 0.2257417), wk = 0.0043860 k( 184) = ( 0.0000000 0.3757109 0.2347713), wk = 0.0043860 k( 185) = ( 0.0000000 0.3901613 0.2438010), wk = 0.0043860 k( 186) = ( 0.0000000 0.4046117 0.2528307), wk = 0.0043860 k( 187) = ( 0.0000000 0.4190621 0.2618603), wk = 0.0043860 k( 188) = ( 0.0000000 0.4335125 0.2708900), wk = 0.0043860 k( 189) = ( 0.0000000 0.4479629 0.2799197), wk = 0.0043860 k( 190) = ( 0.0000000 0.4624134 0.2889493), wk = 0.0043860 k( 191) = ( 0.5000000 0.3020638 0.2401016), wk = 0.0043860 k( 192) = ( 0.4864865 0.2938999 0.2336123), wk = 0.0043860 k( 193) = ( 0.4729730 0.2857360 0.2271231), wk = 0.0043860 k( 194) = ( 0.4594595 0.2775721 0.2206339), wk = 0.0043860 k( 195) = ( 0.4459459 0.2694083 0.2141447), wk = 0.0043860 k( 196) = ( 0.4324324 0.2612444 0.2076554), wk = 0.0043860 k( 197) = ( 0.4189189 0.2530805 0.2011662), wk = 0.0043860 k( 198) = ( 0.4054054 0.2449166 0.1946770), wk = 0.0043860 k( 199) = ( 0.3918919 0.2367527 0.1881877), wk = 0.0043860 k( 200) = ( 0.3783784 0.2285888 0.1816985), wk = 0.0043860 k( 201) = ( 0.3648649 0.2204249 0.1752093), wk = 0.0043860 k( 202) = ( 0.3513514 0.2122610 0.1687200), wk = 0.0043860 k( 203) = ( 0.3378378 0.2040972 0.1622308), wk = 0.0043860 k( 204) = ( 0.3243243 0.1959333 0.1557416), wk = 0.0043860 k( 205) = ( 0.3108108 0.1877694 0.1492523), wk = 0.0043860 k( 206) = ( 0.2972973 0.1796055 0.1427631), wk = 0.0043860 k( 207) = ( 0.2837838 0.1714416 0.1362739), wk = 0.0043860 k( 208) = ( 0.2702703 0.1632777 0.1297846), wk = 0.0043860 k( 209) = ( 0.2567568 0.1551138 0.1232954), wk = 0.0043860 k( 210) = ( 0.2432432 0.1469500 0.1168062), wk = 0.0043860 k( 211) = ( 0.2297297 0.1387861 0.1103169), wk = 0.0043860 k( 212) = ( 0.2162162 0.1306222 0.1038277), wk = 0.0043860 k( 213) = ( 0.2027027 0.1224583 0.0973385), wk = 0.0043860 k( 214) = ( 0.1891892 0.1142944 0.0908492), wk = 0.0043860 k( 215) = ( 0.1756757 0.1061305 0.0843600), wk = 0.0043860 k( 216) = ( 0.1621622 0.0979666 0.0778708), wk = 0.0043860 k( 217) = ( 0.1486486 0.0898028 0.0713816), wk = 0.0043860 k( 218) = ( 0.1351351 0.0816389 0.0648923), wk = 0.0043860 k( 219) = ( 0.1216216 0.0734750 0.0584031), wk = 0.0043860 k( 220) = ( 0.1081081 0.0653111 0.0519139), wk = 0.0043860 k( 221) = ( 0.0945946 0.0571472 0.0454246), wk = 0.0043860 k( 222) = ( 0.0810811 0.0489833 0.0389354), wk = 0.0043860 k( 223) = ( 0.0675676 0.0408194 0.0324462), wk = 0.0043860 k( 224) = ( 0.0540540 0.0326555 0.0259569), wk = 0.0043860 k( 225) = ( 0.0405405 0.0244917 0.0194677), wk = 0.0043860 k( 226) = ( 0.0270270 0.0163278 0.0129785), wk = 0.0043860 k( 227) = ( 0.0135135 0.0081639 0.0064892), wk = 0.0043860 k( 228) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043860 cryst. coord. k( 1) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0043860 k( 2) = ( 0.4838710 -0.0000000 -0.0000000), wk = 0.0043860 k( 3) = ( 0.4677419 -0.0000000 -0.0000000), wk = 0.0043860 k( 4) = ( 0.4516129 0.0000000 -0.0000000), wk = 0.0043860 k( 5) = ( 0.4354839 0.0000000 -0.0000000), wk = 0.0043860 k( 6) = ( 0.4193548 -0.0000000 -0.0000000), wk = 0.0043860 k( 7) = ( 0.4032258 -0.0000000 -0.0000000), wk = 0.0043860 k( 8) = ( 0.3870968 -0.0000000 -0.0000000), wk = 0.0043860 k( 9) = ( 0.3709677 0.0000000 -0.0000000), wk = 0.0043860 k( 10) = ( 0.3548387 -0.0000000 -0.0000000), wk = 0.0043860 k( 11) = ( 0.3387097 -0.0000000 -0.0000000), wk = 0.0043860 k( 12) = ( 0.3225807 -0.0000000 -0.0000000), wk = 0.0043860 k( 13) = ( 0.3064516 -0.0000000 -0.0000000), wk = 0.0043860 k( 14) = ( 0.2903226 -0.0000000 -0.0000000), wk = 0.0043860 k( 15) = ( 0.2741936 -0.0000000 -0.0000000), wk = 0.0043860 k( 16) = ( 0.2580645 -0.0000000 -0.0000000), wk = 0.0043860 k( 17) = ( 0.2419355 -0.0000000 -0.0000000), wk = 0.0043860 k( 18) = ( 0.2258064 0.0000000 -0.0000000), wk = 0.0043860 k( 19) = ( 0.2096774 -0.0000000 -0.0000000), wk = 0.0043860 k( 20) = ( 0.1935484 -0.0000000 -0.0000000), wk = 0.0043860 k( 21) = ( 0.1774194 -0.0000000 -0.0000000), wk = 0.0043860 k( 22) = ( 0.1612903 -0.0000000 -0.0000000), wk = 0.0043860 k( 23) = ( 0.1451613 -0.0000000 -0.0000000), wk = 0.0043860 k( 24) = ( 0.1290323 -0.0000000 -0.0000000), wk = 0.0043860 k( 25) = ( 0.1129032 -0.0000000 -0.0000000), wk = 0.0043860 k( 26) = ( 0.0967742 -0.0000000 -0.0000000), wk = 0.0043860 k( 27) = ( 0.0806452 -0.0000000 -0.0000000), wk = 0.0043860 k( 28) = ( 0.0645161 -0.0000000 -0.0000000), wk = 0.0043860 k( 29) = ( 0.0483871 -0.0000000 -0.0000000), wk = 0.0043860 k( 30) = ( 0.0322581 -0.0000000 -0.0000000), wk = 0.0043860 k( 31) = ( 0.0161290 -0.0000000 -0.0000000), wk = 0.0043860 k( 32) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043860 k( 33) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043860 k( 34) = ( 0.0000000 0.0178571 -0.0000000), wk = 0.0043860 k( 35) = ( 0.0000000 0.0357143 -0.0000000), wk = 0.0043860 k( 36) = ( 0.0000000 0.0535714 0.0000000), wk = 0.0043860 k( 37) = ( 0.0000000 0.0714286 0.0000000), wk = 0.0043860 k( 38) = ( 0.0000000 0.0892857 -0.0000000), wk = 0.0043860 k( 39) = ( 0.0000000 0.1071429 0.0000000), wk = 0.0043860 k( 40) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0043860 k( 41) = ( 0.0000000 0.1428571 0.0000000), wk = 0.0043860 k( 42) = ( 0.0000000 0.1607143 0.0000000), wk = 0.0043860 k( 43) = ( 0.0000000 0.1785714 0.0000000), wk = 0.0043860 k( 44) = ( 0.0000000 0.1964286 -0.0000000), wk = 0.0043860 k( 45) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0043860 k( 46) = ( 0.0000000 0.2321429 -0.0000000), wk = 0.0043860 k( 47) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0043860 k( 48) = ( 0.0000000 0.2678571 0.0000000), wk = 0.0043860 k( 49) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0043860 k( 50) = ( 0.0000000 0.3035714 0.0000000), wk = 0.0043860 k( 51) = ( 0.0000000 0.3214286 0.0000000), wk = 0.0043860 k( 52) = ( 0.0000000 0.3392857 0.0000000), wk = 0.0043860 k( 53) = ( 0.0000000 0.3571429 0.0000000), wk = 0.0043860 k( 54) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0043860 k( 55) = ( 0.0000000 0.3928571 -0.0000000), wk = 0.0043860 k( 56) = ( 0.0000000 0.4107143 0.0000000), wk = 0.0043860 k( 57) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0043860 k( 58) = ( 0.0000000 0.4464286 0.0000000), wk = 0.0043860 k( 59) = ( 0.0000000 0.4642857 0.0000000), wk = 0.0043860 k( 60) = ( 0.0000000 0.4821429 0.0000000), wk = 0.0043860 k( 61) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0043860 k( 62) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0043860 k( 63) = ( 0.4857143 0.4857143 0.0000000), wk = 0.0043860 k( 64) = ( 0.4714286 0.4714286 0.0000000), wk = 0.0043860 k( 65) = ( 0.4571429 0.4571429 -0.0000000), wk = 0.0043860 k( 66) = ( 0.4428571 0.4428571 0.0000000), wk = 0.0043860 k( 67) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0043860 k( 68) = ( 0.4142857 0.4142857 0.0000000), wk = 0.0043860 k( 69) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0043860 k( 70) = ( 0.3857143 0.3857143 -0.0000000), wk = 0.0043860 k( 71) = ( 0.3714286 0.3714286 -0.0000000), wk = 0.0043860 k( 72) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0043860 k( 73) = ( 0.3428571 0.3428571 -0.0000000), wk = 0.0043860 k( 74) = ( 0.3285714 0.3285714 0.0000000), wk = 0.0043860 k( 75) = ( 0.3142857 0.3142857 -0.0000000), wk = 0.0043860 k( 76) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0043860 k( 77) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0043860 k( 78) = ( 0.2714286 0.2714286 -0.0000000), wk = 0.0043860 k( 79) = ( 0.2571429 0.2571429 -0.0000000), wk = 0.0043860 k( 80) = ( 0.2428571 0.2428571 -0.0000000), wk = 0.0043860 k( 81) = ( 0.2285714 0.2285714 -0.0000000), wk = 0.0043860 k( 82) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0043860 k( 83) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0043860 k( 84) = ( 0.1857143 0.1857143 -0.0000000), wk = 0.0043860 k( 85) = ( 0.1714286 0.1714286 -0.0000000), wk = 0.0043860 k( 86) = ( 0.1571429 0.1571429 -0.0000000), wk = 0.0043860 k( 87) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0043860 k( 88) = ( 0.1285714 0.1285714 -0.0000000), wk = 0.0043860 k( 89) = ( 0.1142857 0.1142857 -0.0000000), wk = 0.0043860 k( 90) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0043860 k( 91) = ( 0.0857143 0.0857143 -0.0000000), wk = 0.0043860 k( 92) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0043860 k( 93) = ( 0.0571429 0.0571429 -0.0000000), wk = 0.0043860 k( 94) = ( 0.0428571 0.0428571 0.0000000), wk = 0.0043860 k( 95) = ( 0.0285714 0.0285714 -0.0000000), wk = 0.0043860 k( 96) = ( 0.0142857 0.0142857 -0.0000000), wk = 0.0043860 k( 97) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043860 k( 98) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043860 k( 99) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0043860 k( 100) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0043860 k( 101) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0043860 k( 102) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0043860 k( 103) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0043860 k( 104) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0043860 k( 105) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0043860 k( 106) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0043860 k( 107) = ( 0.0000000 0.0000000 0.2045454), wk = 0.0043860 k( 108) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0043860 k( 109) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0043860 k( 110) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0043860 k( 111) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0043860 k( 112) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0043860 k( 113) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0043860 k( 114) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0043860 k( 115) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0043860 k( 116) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0043860 k( 117) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0043860 k( 118) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0043860 k( 119) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0043860 k( 120) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0043860 k( 121) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0043860 k( 122) = ( 0.4861111 -0.0000000 0.4861111), wk = 0.0043860 k( 123) = ( 0.4722222 -0.0000000 0.4722222), wk = 0.0043860 k( 124) = ( 0.4583333 -0.0000000 0.4583333), wk = 0.0043860 k( 125) = ( 0.4444444 -0.0000000 0.4444444), wk = 0.0043860 k( 126) = ( 0.4305556 -0.0000000 0.4305556), wk = 0.0043860 k( 127) = ( 0.4166667 -0.0000000 0.4166667), wk = 0.0043860 k( 128) = ( 0.4027778 -0.0000000 0.4027778), wk = 0.0043860 k( 129) = ( 0.3888889 -0.0000000 0.3888889), wk = 0.0043860 k( 130) = ( 0.3750000 -0.0000000 0.3750000), wk = 0.0043860 k( 131) = ( 0.3611111 -0.0000000 0.3611111), wk = 0.0043860 k( 132) = ( 0.3472222 -0.0000000 0.3472222), wk = 0.0043860 k( 133) = ( 0.3333333 -0.0000000 0.3333333), wk = 0.0043860 k( 134) = ( 0.3194444 0.0000000 0.3194444), wk = 0.0043860 k( 135) = ( 0.3055556 -0.0000000 0.3055556), wk = 0.0043860 k( 136) = ( 0.2916667 -0.0000000 0.2916667), wk = 0.0043860 k( 137) = ( 0.2777778 -0.0000000 0.2777778), wk = 0.0043860 k( 138) = ( 0.2638889 0.0000000 0.2638889), wk = 0.0043860 k( 139) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0043860 k( 140) = ( 0.2361111 -0.0000000 0.2361111), wk = 0.0043860 k( 141) = ( 0.2222222 -0.0000000 0.2222222), wk = 0.0043860 k( 142) = ( 0.2083333 0.0000000 0.2083333), wk = 0.0043860 k( 143) = ( 0.1944444 -0.0000000 0.1944444), wk = 0.0043860 k( 144) = ( 0.1805556 -0.0000000 0.1805556), wk = 0.0043860 k( 145) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0043860 k( 146) = ( 0.1527778 -0.0000000 0.1527778), wk = 0.0043860 k( 147) = ( 0.1388889 -0.0000000 0.1388889), wk = 0.0043860 k( 148) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0043860 k( 149) = ( 0.1111111 -0.0000000 0.1111111), wk = 0.0043860 k( 150) = ( 0.0972222 -0.0000000 0.0972222), wk = 0.0043860 k( 151) = ( 0.0833333 -0.0000000 0.0833333), wk = 0.0043860 k( 152) = ( 0.0694444 -0.0000000 0.0694444), wk = 0.0043860 k( 153) = ( 0.0555556 -0.0000000 0.0555556), wk = 0.0043860 k( 154) = ( 0.0416667 -0.0000000 0.0416667), wk = 0.0043860 k( 155) = ( 0.0277778 -0.0000000 0.0277778), wk = 0.0043860 k( 156) = ( 0.0138889 -0.0000000 0.0138889), wk = 0.0043860 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043860 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043860 k( 159) = ( 0.0000000 0.0156250 0.0156250), wk = 0.0043860 k( 160) = ( 0.0000000 0.0312500 0.0312500), wk = 0.0043860 k( 161) = ( 0.0000000 0.0468750 0.0468750), wk = 0.0043860 k( 162) = ( 0.0000000 0.0625000 0.0625000), wk = 0.0043860 k( 163) = ( 0.0000000 0.0781250 0.0781250), wk = 0.0043860 k( 164) = ( 0.0000000 0.0937500 0.0937500), wk = 0.0043860 k( 165) = ( 0.0000000 0.1093750 0.1093750), wk = 0.0043860 k( 166) = ( 0.0000000 0.1250000 0.1250000), wk = 0.0043860 k( 167) = ( 0.0000000 0.1406250 0.1406250), wk = 0.0043860 k( 168) = ( 0.0000000 0.1562500 0.1562500), wk = 0.0043860 k( 169) = ( 0.0000000 0.1718750 0.1718750), wk = 0.0043860 k( 170) = ( 0.0000000 0.1875000 0.1875000), wk = 0.0043860 k( 171) = ( 0.0000000 0.2031250 0.2031250), wk = 0.0043860 k( 172) = ( 0.0000000 0.2187500 0.2187500), wk = 0.0043860 k( 173) = ( 0.0000000 0.2343750 0.2343750), wk = 0.0043860 k( 174) = ( 0.0000000 0.2500000 0.2500000), wk = 0.0043860 k( 175) = ( 0.0000000 0.2656250 0.2656250), wk = 0.0043860 k( 176) = ( 0.0000000 0.2812500 0.2812500), wk = 0.0043860 k( 177) = ( 0.0000000 0.2968750 0.2968750), wk = 0.0043860 k( 178) = ( 0.0000000 0.3125000 0.3125000), wk = 0.0043860 k( 179) = ( 0.0000000 0.3281250 0.3281250), wk = 0.0043860 k( 180) = ( 0.0000000 0.3437500 0.3437500), wk = 0.0043860 k( 181) = ( 0.0000000 0.3593750 0.3593750), wk = 0.0043860 k( 182) = ( 0.0000000 0.3750000 0.3750000), wk = 0.0043860 k( 183) = ( 0.0000000 0.3906250 0.3906250), wk = 0.0043860 k( 184) = ( 0.0000000 0.4062500 0.4062500), wk = 0.0043860 k( 185) = ( 0.0000000 0.4218750 0.4218750), wk = 0.0043860 k( 186) = ( 0.0000000 0.4375000 0.4375000), wk = 0.0043860 k( 187) = ( 0.0000000 0.4531250 0.4531250), wk = 0.0043860 k( 188) = ( 0.0000000 0.4687500 0.4687500), wk = 0.0043860 k( 189) = ( 0.0000000 0.4843750 0.4843750), wk = 0.0043860 k( 190) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0043860 k( 191) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0043860 k( 192) = ( 0.4864865 0.4864865 0.4864865), wk = 0.0043860 k( 193) = ( 0.4729730 0.4729730 0.4729730), wk = 0.0043860 k( 194) = ( 0.4594595 0.4594595 0.4594595), wk = 0.0043860 k( 195) = ( 0.4459459 0.4459459 0.4459459), wk = 0.0043860 k( 196) = ( 0.4324324 0.4324324 0.4324324), wk = 0.0043860 k( 197) = ( 0.4189189 0.4189189 0.4189189), wk = 0.0043860 k( 198) = ( 0.4054054 0.4054054 0.4054054), wk = 0.0043860 k( 199) = ( 0.3918919 0.3918919 0.3918919), wk = 0.0043860 k( 200) = ( 0.3783784 0.3783784 0.3783784), wk = 0.0043860 k( 201) = ( 0.3648649 0.3648649 0.3648649), wk = 0.0043860 k( 202) = ( 0.3513514 0.3513513 0.3513514), wk = 0.0043860 k( 203) = ( 0.3378378 0.3378378 0.3378378), wk = 0.0043860 k( 204) = ( 0.3243243 0.3243243 0.3243243), wk = 0.0043860 k( 205) = ( 0.3108108 0.3108108 0.3108108), wk = 0.0043860 k( 206) = ( 0.2972973 0.2972973 0.2972973), wk = 0.0043860 k( 207) = ( 0.2837838 0.2837838 0.2837838), wk = 0.0043860 k( 208) = ( 0.2702703 0.2702703 0.2702703), wk = 0.0043860 k( 209) = ( 0.2567568 0.2567568 0.2567568), wk = 0.0043860 k( 210) = ( 0.2432432 0.2432432 0.2432432), wk = 0.0043860 k( 211) = ( 0.2297297 0.2297297 0.2297297), wk = 0.0043860 k( 212) = ( 0.2162162 0.2162162 0.2162162), wk = 0.0043860 k( 213) = ( 0.2027027 0.2027027 0.2027027), wk = 0.0043860 k( 214) = ( 0.1891892 0.1891892 0.1891892), wk = 0.0043860 k( 215) = ( 0.1756757 0.1756757 0.1756757), wk = 0.0043860 k( 216) = ( 0.1621622 0.1621622 0.1621622), wk = 0.0043860 k( 217) = ( 0.1486486 0.1486486 0.1486486), wk = 0.0043860 k( 218) = ( 0.1351351 0.1351351 0.1351351), wk = 0.0043860 k( 219) = ( 0.1216216 0.1216216 0.1216216), wk = 0.0043860 k( 220) = ( 0.1081081 0.1081081 0.1081081), wk = 0.0043860 k( 221) = ( 0.0945946 0.0945946 0.0945946), wk = 0.0043860 k( 222) = ( 0.0810811 0.0810811 0.0810811), wk = 0.0043860 k( 223) = ( 0.0675676 0.0675676 0.0675676), wk = 0.0043860 k( 224) = ( 0.0540540 0.0540540 0.0540540), wk = 0.0043860 k( 225) = ( 0.0405405 0.0405405 0.0405405), wk = 0.0043860 k( 226) = ( 0.0270270 0.0270270 0.0270270), wk = 0.0043860 k( 227) = ( 0.0135135 0.0135135 0.0135135), wk = 0.0043860 k( 228) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0043860 Dense grid: 159541 G-vectors FFT dimensions: ( 60, 72, 90) Smooth grid: 67293 G-vectors FFT dimensions: ( 45, 54, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.54 Mb ( 468, 76) NL pseudopotentials 0.69 Mb ( 234, 192) Each V/rho on FFT grid 0.20 Mb ( 12960) Each G-vector array 0.03 Mb ( 4433) G-vector shells 0.03 Mb ( 4393) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.17 Mb ( 468, 304) Each subspace H/S matrix 0.09 Mb ( 76, 76) Each matrix 0.45 Mb ( 192, 2, 76) Check: negative/imaginary core charge= -0.000008 0.000000 The potential is recalculated from file : ./H3C2N.save/charge-density.dat Starting wfc are 120 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.6 secs Computing kpt #: 2 total cpu time spent up to now is 3.7 secs Computing kpt #: 3 total cpu time spent up to now is 4.8 secs Computing kpt #: 4 total cpu time spent up to now is 5.9 secs Computing kpt #: 5 total cpu time spent up to now is 7.0 secs Computing kpt #: 6 total cpu time spent up to now is 8.0 secs Computing kpt #: 7 total cpu time spent up to now is 9.1 secs Computing kpt #: 8 total cpu time spent up to now is 10.1 secs Computing kpt #: 9 total cpu time spent up to now is 11.2 secs Computing kpt #: 10 total cpu time spent up to now is 12.3 secs Computing kpt #: 11 total cpu time spent up to now is 13.3 secs Computing kpt #: 12 total cpu time spent up to now is 14.4 secs Computing kpt #: 13 total cpu time spent up to now is 15.5 secs Computing kpt #: 14 total cpu time spent up to now is 16.6 secs Computing kpt #: 15 total cpu time spent up to now is 17.7 secs Computing kpt #: 16 total cpu time spent up to now is 18.8 secs Computing kpt #: 17 total cpu time spent up to now is 19.9 secs Computing kpt #: 18 total cpu time spent up to now is 20.9 secs Computing kpt #: 19 total cpu time spent up to now is 22.0 secs Computing kpt #: 20 total cpu time spent up to now is 23.1 secs Computing kpt #: 21 total cpu time spent up to now is 24.2 secs Computing kpt #: 22 total cpu time spent up to now is 25.3 secs Computing kpt #: 23 total cpu time spent up to now is 26.4 secs Computing kpt #: 24 total cpu time spent up to now is 27.4 secs Computing kpt #: 25 total cpu time spent up to now is 28.5 secs Computing kpt #: 26 total cpu time spent up to now is 29.5 secs Computing kpt #: 27 total cpu time spent up to now is 30.6 secs Computing kpt #: 28 total cpu time spent up to now is 31.6 secs Computing kpt #: 29 total cpu time spent up to now is 32.6 secs Computing kpt #: 30 total cpu time spent up to now is 33.6 secs Computing kpt #: 31 total cpu time spent up to now is 34.7 secs Computing kpt #: 32 total cpu time spent up to now is 35.7 secs Computing kpt #: 33 total cpu time spent up to now is 36.7 secs Computing kpt #: 34 total cpu time spent up to now is 37.7 secs Computing kpt #: 35 total cpu time spent up to now is 38.7 secs Computing kpt #: 36 total cpu time spent up to now is 39.7 secs Computing kpt #: 37 total cpu time spent up to now is 40.7 secs Computing kpt #: 38 total cpu time spent up to now is 41.8 secs Computing kpt #: 39 total cpu time spent up to now is 42.8 secs Computing kpt #: 40 total cpu time spent up to now is 43.8 secs Computing kpt #: 41 total cpu time spent up to now is 44.9 secs Computing kpt #: 42 total cpu time spent up to now is 46.0 secs Computing kpt #: 43 total cpu time spent up to now is 47.0 secs Computing kpt #: 44 total cpu time spent up to now is 48.1 secs Computing kpt #: 45 total cpu time spent up to now is 49.2 secs Computing kpt #: 46 total cpu time spent up to now is 50.3 secs Computing kpt #: 47 total cpu time spent up to now is 51.4 secs Computing kpt #: 48 total cpu time spent up to now is 52.5 secs Computing kpt #: 49 total cpu time spent up to now is 53.6 secs Computing kpt #: 50 total cpu time spent up to now is 54.7 secs Computing kpt #: 51 total cpu time spent up to now is 55.8 secs Computing kpt #: 52 total cpu time spent up to now is 56.9 secs Computing kpt #: 53 total cpu time spent up to now is 58.0 secs Computing kpt #: 54 total cpu time spent up to now is 59.2 secs Computing kpt #: 55 total cpu time spent up to now is 60.2 secs Computing kpt #: 56 total cpu time spent up to now is 61.4 secs Computing kpt #: 57 total cpu time spent up to now is 62.4 secs Computing kpt #: 58 total cpu time spent up to now is 63.6 secs Computing kpt #: 59 total cpu time spent up to now is 64.6 secs Computing kpt #: 60 total cpu time spent up to now is 65.8 secs Computing kpt #: 61 total cpu time spent up to now is 67.0 secs Computing kpt #: 62 total cpu time spent up to now is 68.1 secs Computing kpt #: 63 total cpu time spent up to now is 69.1 secs Computing kpt #: 64 total cpu time spent up to now is 70.2 secs Computing kpt #: 65 total cpu time spent up to now is 71.3 secs Computing kpt #: 66 total cpu time spent up to now is 72.4 secs Computing kpt #: 67 total cpu time spent up to now is 73.5 secs Computing kpt #: 68 total cpu time spent up to now is 74.6 secs Computing kpt #: 69 total cpu time spent up to now is 75.7 secs Computing kpt #: 70 total cpu time spent up to now is 76.8 secs Computing kpt #: 71 total cpu time spent up to now is 78.0 secs Computing kpt #: 72 total cpu time spent up to now is 79.1 secs Computing kpt #: 73 total cpu time spent up to now is 80.3 secs Computing kpt #: 74 total cpu time spent up to now is 81.4 secs Computing kpt #: 75 total cpu time spent up to now is 82.5 secs Computing kpt #: 76 total cpu time spent up to now is 83.6 secs Computing kpt #: 77 total cpu time spent up to now is 84.7 secs Computing kpt #: 78 total cpu time spent up to now is 85.8 secs Computing kpt #: 79 total cpu time spent up to now is 86.9 secs Computing kpt #: 80 total cpu time spent up to now is 88.0 secs Computing kpt #: 81 total cpu time spent up to now is 89.1 secs Computing kpt #: 82 total cpu time spent up to now is 90.2 secs Computing kpt #: 83 total cpu time spent up to now is 91.3 secs Computing kpt #: 84 total cpu time spent up to now is 92.4 secs Computing kpt #: 85 total cpu time spent up to now is 93.5 secs Computing kpt #: 86 total cpu time spent up to now is 94.6 secs Computing kpt #: 87 total cpu time spent up to now is 95.6 secs Computing kpt #: 88 total cpu time spent up to now is 96.7 secs Computing kpt #: 89 total cpu time spent up to now is 97.8 secs Computing kpt #: 90 total cpu time spent up to now is 98.8 secs Computing kpt #: 91 total cpu time spent up to now is 99.9 secs Computing kpt #: 92 total cpu time spent up to now is 100.9 secs Computing kpt #: 93 total cpu time spent up to now is 102.0 secs Computing kpt #: 94 total cpu time spent up to now is 103.0 secs Computing kpt #: 95 total cpu time spent up to now is 104.0 secs Computing kpt #: 96 total cpu time spent up to now is 105.0 secs Computing kpt #: 97 total cpu time spent up to now is 106.0 secs Computing kpt #: 98 total cpu time spent up to now is 107.0 secs Computing kpt #: 99 total cpu time spent up to now is 108.0 secs Computing kpt #: 100 total cpu time spent up to now is 109.0 secs Computing kpt #: 101 total cpu time spent up to now is 110.0 secs Computing kpt #: 102 total cpu time spent up to now is 111.0 secs Computing kpt #: 103 total cpu time spent up to now is 112.0 secs Computing kpt #: 104 total cpu time spent up to now is 113.1 secs Computing kpt #: 105 total cpu time spent up to now is 114.1 secs Computing kpt #: 106 total cpu time spent up to now is 115.2 secs Computing kpt #: 107 total cpu time spent up to now is 116.2 secs Computing kpt #: 108 total cpu time spent up to now is 117.3 secs Computing kpt #: 109 total cpu time spent up to now is 118.4 secs Computing kpt #: 110 total cpu time spent up to now is 119.5 secs Computing kpt #: 111 total cpu time spent up to now is 120.5 secs Computing kpt #: 112 total cpu time spent up to now is 121.6 secs Computing kpt #: 113 total cpu time spent up to now is 122.7 secs Computing kpt #: 114 total cpu time spent up to now is 123.8 secs Computing kpt #: 115 total cpu time spent up to now is 124.9 secs Computing kpt #: 116 total cpu time spent up to now is 126.0 secs Computing kpt #: 117 total cpu time spent up to now is 127.1 secs Computing kpt #: 118 total cpu time spent up to now is 128.2 secs Computing kpt #: 119 total cpu time spent up to now is 129.3 secs Computing kpt #: 120 total cpu time spent up to now is 130.3 secs Computing kpt #: 121 total cpu time spent up to now is 131.6 secs Computing kpt #: 122 total cpu time spent up to now is 133.0 secs Computing kpt #: 123 total cpu time spent up to now is 134.3 secs Computing kpt #: 124 total cpu time spent up to now is 135.5 secs Computing kpt #: 125 total cpu time spent up to now is 136.8 secs Computing kpt #: 126 total cpu time spent up to now is 138.2 secs Computing kpt #: 127 total cpu time spent up to now is 139.4 secs Computing kpt #: 128 total cpu time spent up to now is 140.6 secs Computing kpt #: 129 total cpu time spent up to now is 141.9 secs Computing kpt #: 130 total cpu time spent up to now is 143.2 secs Computing kpt #: 131 total cpu time spent up to now is 144.4 secs Computing kpt #: 132 total cpu time spent up to now is 145.7 secs Computing kpt #: 133 total cpu time spent up to now is 147.0 secs Computing kpt #: 134 total cpu time spent up to now is 148.1 secs Computing kpt #: 135 total cpu time spent up to now is 149.2 secs Computing kpt #: 136 total cpu time spent up to now is 150.3 secs Computing kpt #: 137 total cpu time spent up to now is 151.5 secs Computing kpt #: 138 total cpu time spent up to now is 152.6 secs Computing kpt #: 139 total cpu time spent up to now is 153.7 secs Computing kpt #: 140 total cpu time spent up to now is 154.8 secs Computing kpt #: 141 total cpu time spent up to now is 156.0 secs Computing kpt #: 142 total cpu time spent up to now is 157.1 secs Computing kpt #: 143 total cpu time spent up to now is 158.2 secs Computing kpt #: 144 total cpu time spent up to now is 159.2 secs Computing kpt #: 145 total cpu time spent up to now is 160.4 secs Computing kpt #: 146 total cpu time spent up to now is 161.4 secs Computing kpt #: 147 total cpu time spent up to now is 162.5 secs Computing kpt #: 148 total cpu time spent up to now is 163.5 secs Computing kpt #: 149 total cpu time spent up to now is 164.6 secs Computing kpt #: 150 total cpu time spent up to now is 165.6 secs Computing kpt #: 151 total cpu time spent up to now is 166.6 secs Computing kpt #: 152 total cpu time spent up to now is 167.6 secs Computing kpt #: 153 total cpu time spent up to now is 168.9 secs Computing kpt #: 154 total cpu time spent up to now is 170.2 secs Computing kpt #: 155 total cpu time spent up to now is 171.3 secs Computing kpt #: 156 total cpu time spent up to now is 172.3 secs Computing kpt #: 157 total cpu time spent up to now is 173.3 secs Computing kpt #: 158 total cpu time spent up to now is 174.3 secs Computing kpt #: 159 total cpu time spent up to now is 175.3 secs Computing kpt #: 160 total cpu time spent up to now is 176.3 secs Computing kpt #: 161 total cpu time spent up to now is 177.4 secs Computing kpt #: 162 total cpu time spent up to now is 178.4 secs Computing kpt #: 163 total cpu time spent up to now is 179.4 secs Computing kpt #: 164 total cpu time spent up to now is 180.4 secs Computing kpt #: 165 total cpu time spent up to now is 181.5 secs Computing kpt #: 166 total cpu time spent up to now is 182.5 secs Computing kpt #: 167 total cpu time spent up to now is 183.6 secs Computing kpt #: 168 total cpu time spent up to now is 184.7 secs Computing kpt #: 169 total cpu time spent up to now is 185.7 secs Computing kpt #: 170 total cpu time spent up to now is 186.8 secs Computing kpt #: 171 total cpu time spent up to now is 188.0 secs Computing kpt #: 172 total cpu time spent up to now is 189.1 secs Computing kpt #: 173 total cpu time spent up to now is 190.2 secs Computing kpt #: 174 total cpu time spent up to now is 191.3 secs Computing kpt #: 175 total cpu time spent up to now is 192.4 secs Computing kpt #: 176 total cpu time spent up to now is 193.5 secs Computing kpt #: 177 total cpu time spent up to now is 194.6 secs Computing kpt #: 178 total cpu time spent up to now is 195.8 secs Computing kpt #: 179 total cpu time spent up to now is 196.9 secs Computing kpt #: 180 total cpu time spent up to now is 198.1 secs Computing kpt #: 181 total cpu time spent up to now is 199.3 secs Computing kpt #: 182 total cpu time spent up to now is 200.4 secs Computing kpt #: 183 total cpu time spent up to now is 201.6 secs Computing kpt #: 184 total cpu time spent up to now is 202.8 secs Computing kpt #: 185 total cpu time spent up to now is 203.9 secs Computing kpt #: 186 total cpu time spent up to now is 205.0 secs Computing kpt #: 187 total cpu time spent up to now is 206.2 secs Computing kpt #: 188 total cpu time spent up to now is 207.3 secs Computing kpt #: 189 total cpu time spent up to now is 208.4 secs Computing kpt #: 190 total cpu time spent up to now is 209.5 secs Computing kpt #: 191 total cpu time spent up to now is 210.8 secs Computing kpt #: 192 total cpu time spent up to now is 212.1 secs Computing kpt #: 193 total cpu time spent up to now is 213.4 secs Computing kpt #: 194 total cpu time spent up to now is 214.7 secs Computing kpt #: 195 total cpu time spent up to now is 216.0 secs Computing kpt #: 196 total cpu time spent up to now is 217.3 secs Computing kpt #: 197 total cpu time spent up to now is 218.6 secs Computing kpt #: 198 total cpu time spent up to now is 219.8 secs Computing kpt #: 199 total cpu time spent up to now is 221.1 secs Computing kpt #: 200 total cpu time spent up to now is 222.4 secs Computing kpt #: 201 total cpu time spent up to now is 223.7 secs Computing kpt #: 202 total cpu time spent up to now is 224.9 secs Computing kpt #: 203 total cpu time spent up to now is 226.2 secs Computing kpt #: 204 total cpu time spent up to now is 227.5 secs Computing kpt #: 205 total cpu time spent up to now is 228.6 secs Computing kpt #: 206 total cpu time spent up to now is 229.8 secs Computing kpt #: 207 total cpu time spent up to now is 231.0 secs Computing kpt #: 208 total cpu time spent up to now is 232.1 secs Computing kpt #: 209 total cpu time spent up to now is 233.3 secs Computing kpt #: 210 total cpu time spent up to now is 234.4 secs Computing kpt #: 211 total cpu time spent up to now is 235.5 secs Computing kpt #: 212 total cpu time spent up to now is 236.6 secs Computing kpt #: 213 total cpu time spent up to now is 237.7 secs Computing kpt #: 214 total cpu time spent up to now is 238.8 secs Computing kpt #: 215 total cpu time spent up to now is 239.9 secs Computing kpt #: 216 total cpu time spent up to now is 241.0 secs Computing kpt #: 217 total cpu time spent up to now is 242.1 secs Computing kpt #: 218 total cpu time spent up to now is 243.1 secs Computing kpt #: 219 total cpu time spent up to now is 244.2 secs Computing kpt #: 220 total cpu time spent up to now is 245.3 secs Computing kpt #: 221 total cpu time spent up to now is 246.3 secs Computing kpt #: 222 total cpu time spent up to now is 247.4 secs Computing kpt #: 223 total cpu time spent up to now is 248.4 secs Computing kpt #: 224 total cpu time spent up to now is 249.4 secs Computing kpt #: 225 total cpu time spent up to now is 250.4 secs Computing kpt #: 226 total cpu time spent up to now is 251.4 secs Computing kpt #: 227 total cpu time spent up to now is 252.4 secs Computing kpt #: 228 total cpu time spent up to now is 253.4 secs ethr = 1.56E-08, avg # of iterations = 18.2 total cpu time spent up to now is 253.4 secs End of band structure calculation k = 0.5000-0.1603-0.0488 ( 8436 PWs) bands (ev): -21.2638 -21.2638 -17.4383 -17.4383 -17.2720 -17.2720 -16.1325 -16.1325 -15.1301 -15.1301 -12.7667 -12.7667 -12.7312 -12.7312 -11.9819 -11.9819 -10.6049 -10.6049 -10.0960 -10.0960 -8.5498 -8.5498 -6.8358 -6.8358 -6.6363 -6.6363 -6.3475 -6.3475 -5.7737 -5.7737 -5.5005 -5.5005 -4.9365 -4.9365 -4.8019 -4.8019 -4.7012 -4.7012 -4.5491 -4.5491 -4.3214 -4.3214 -4.1128 -4.1128 -4.0589 -4.0589 -3.8498 -3.8498 -3.2882 -3.2882 -3.2636 -3.2636 -2.9533 -2.9533 -2.7660 -2.7660 -2.7023 -2.7023 -2.6177 -2.6177 -2.4170 -2.4170 -0.2705 -0.2705 2.8843 2.8843 4.7917 4.7917 4.9186 4.9186 5.3236 5.3236 5.3540 5.3540 6.5444 6.5444 k = 0.4839-0.1552-0.0473 ( 8434 PWs) bands (ev): -21.2639 -21.2639 -17.4383 -17.4383 -17.2721 -17.2721 -16.1326 -16.1326 -15.1301 -15.1301 -12.7665 -12.7665 -12.7309 -12.7309 -11.9820 -11.9820 -10.6051 -10.6051 -10.0961 -10.0961 -8.5498 -8.5498 -6.8356 -6.8356 -6.6361 -6.6361 -6.3474 -6.3474 -5.7736 -5.7736 -5.5004 -5.5004 -4.9375 -4.9375 -4.8006 -4.8006 -4.7021 -4.7021 -4.5489 -4.5489 -4.3214 -4.3214 -4.1126 -4.1126 -4.0590 -4.0590 -3.8497 -3.8497 -3.2890 -3.2890 -3.2640 -3.2640 -2.9536 -2.9536 -2.7666 -2.7666 -2.7016 -2.7016 -2.6177 -2.6177 -2.4165 -2.4165 -0.2707 -0.2707 2.8842 2.8842 4.7914 4.7914 4.9198 4.9198 5.3233 5.3233 5.3542 5.3542 6.5386 6.5386 k = 0.4677-0.1500-0.0457 ( 8427 PWs) bands (ev): -21.2639 -21.2639 -17.4381 -17.4381 -17.2724 -17.2724 -16.1326 -16.1326 -15.1301 -15.1301 -12.7659 -12.7659 -12.7300 -12.7300 -11.9823 -11.9823 -10.6059 -10.6059 -10.0963 -10.0963 -8.5495 -8.5495 -6.8347 -6.8347 -6.6356 -6.6356 -6.3474 -6.3474 -5.7733 -5.7733 -5.5002 -5.5002 -4.9405 -4.9405 -4.7969 -4.7969 -4.7047 -4.7047 -4.5484 -4.5484 -4.3215 -4.3215 -4.1121 -4.1121 -4.0593 -4.0593 -3.8493 -3.8493 -3.2913 -3.2913 -3.2654 -3.2654 -2.9545 -2.9545 -2.7681 -2.7681 -2.6996 -2.6996 -2.6176 -2.6176 -2.4151 -2.4151 -0.2713 -0.2713 2.8841 2.8841 4.7908 4.7908 4.9234 4.9234 5.3224 5.3224 5.3548 5.3548 6.5219 6.5219 k = 0.4516-0.1448-0.0441 ( 8433 PWs) bands (ev): -21.2639 -21.2639 -17.4379 -17.4379 -17.2728 -17.2728 -16.1328 -16.1328 -15.1301 -15.1301 -12.7649 -12.7649 -12.7287 -12.7287 -11.9829 -11.9829 -10.6072 -10.6072 -10.0968 -10.0968 -8.5491 -8.5491 -6.8332 -6.8332 -6.6347 -6.6347 -6.3472 -6.3472 -5.7728 -5.7728 -5.4999 -5.4999 -4.9451 -4.9451 -4.7913 -4.7913 -4.7089 -4.7089 -4.5477 -4.5477 -4.3215 -4.3215 -4.1115 -4.1115 -4.0596 -4.0596 -3.8487 -3.8487 -3.2951 -3.2951 -3.2675 -3.2675 -2.9561 -2.9561 -2.7706 -2.7706 -2.6964 -2.6964 -2.6175 -2.6175 -2.4127 -2.4127 -0.2723 -0.2723 2.8838 2.8838 4.7897 4.7897 4.9293 4.9293 5.3209 5.3209 5.3557 5.3557 6.4966 6.4966 k = 0.4355-0.1397-0.0425 ( 8435 PWs) bands (ev): -21.2640 -21.2640 -17.4375 -17.4375 -17.2735 -17.2735 -16.1329 -16.1329 -15.1300 -15.1300 -12.7636 -12.7636 -12.7268 -12.7268 -11.9836 -11.9836 -10.6089 -10.6089 -10.0974 -10.0974 -8.5485 -8.5485 -6.8312 -6.8312 -6.6334 -6.6334 -6.3471 -6.3471 -5.7720 -5.7720 -5.4995 -5.4995 -4.9509 -4.9509 -4.7841 -4.7841 -4.7142 -4.7142 -4.5469 -4.5469 -4.3214 -4.3214 -4.1108 -4.1108 -4.0598 -4.0598 -3.8481 -3.8481 -3.3002 -3.3002 -3.2704 -3.2704 -2.9585 -2.9585 -2.7741 -2.7741 -2.6922 -2.6922 -2.6173 -2.6173 -2.4093 -2.4093 -0.2737 -0.2737 2.8835 2.8835 4.7884 4.7884 4.9374 4.9374 5.3190 5.3190 5.3568 5.3568 6.4649 6.4649 k = 0.4194-0.1345-0.0410 ( 8434 PWs) bands (ev): -21.2640 -21.2640 -17.4371 -17.4371 -17.2744 -17.2744 -16.1331 -16.1331 -15.1300 -15.1300 -12.7619 -12.7619 -12.7244 -12.7244 -11.9845 -11.9845 -10.6112 -10.6112 -10.0981 -10.0981 -8.5478 -8.5478 -6.8286 -6.8286 -6.6317 -6.6317 -6.3470 -6.3470 -5.7711 -5.7711 -5.4989 -5.4989 -4.9575 -4.9575 -4.7763 -4.7763 -4.7202 -4.7202 -4.5462 -4.5462 -4.3211 -4.3211 -4.1102 -4.1102 -4.0596 -4.0596 -3.8474 -3.8474 -3.3067 -3.3067 -3.2738 -3.2738 -2.9618 -2.9618 -2.7784 -2.7784 -2.6870 -2.6870 -2.6170 -2.6170 -2.4050 -2.4050 -0.2754 -0.2754 2.8830 2.8830 4.7870 4.7870 4.9476 4.9476 5.3167 5.3167 5.3579 5.3579 6.4293 6.4293 k = 0.4032-0.1293-0.0394 ( 8433 PWs) bands (ev): -21.2641 -21.2641 -17.4366 -17.4366 -17.2754 -17.2754 -16.1334 -16.1334 -15.1299 -15.1299 -12.7598 -12.7598 -12.7215 -12.7215 -11.9856 -11.9856 -10.6139 -10.6139 -10.0991 -10.0991 -8.5469 -8.5469 -6.8255 -6.8255 -6.6298 -6.6298 -6.3469 -6.3469 -5.7699 -5.7699 -5.4984 -5.4984 -4.9646 -4.9646 -4.7690 -4.7690 -4.7259 -4.7259 -4.5458 -4.5458 -4.3204 -4.3204 -4.1100 -4.1100 -4.0589 -4.0589 -3.8467 -3.8467 -3.3143 -3.3143 -3.2775 -3.2775 -2.9662 -2.9662 -2.7835 -2.7835 -2.6812 -2.6812 -2.6164 -2.6164 -2.3998 -2.3998 -0.2776 -0.2776 2.8825 2.8825 4.7855 4.7855 4.9596 4.9596 5.3141 5.3141 5.3590 5.3590 6.3913 6.3913 k = 0.3871-0.1241-0.0378 ( 8434 PWs) bands (ev): -21.2642 -21.2642 -17.4359 -17.4359 -17.2766 -17.2766 -16.1337 -16.1337 -15.1299 -15.1299 -12.7573 -12.7573 -12.7182 -12.7182 -11.9869 -11.9869 -10.6170 -10.6170 -10.1001 -10.1001 -8.5459 -8.5459 -6.8219 -6.8219 -6.6275 -6.6275 -6.3468 -6.3468 -5.7685 -5.7685 -5.4979 -5.4979 -4.9718 -4.9718 -4.7646 -4.7646 -4.7287 -4.7287 -4.5459 -4.5459 -4.3194 -4.3194 -4.1102 -4.1102 -4.0575 -4.0575 -3.8462 -3.8462 -3.3228 -3.3228 -3.2814 -3.2814 -2.9718 -2.9718 -2.7895 -2.7895 -2.6748 -2.6748 -2.6155 -2.6155 -2.3936 -2.3936 -0.2800 -0.2800 2.8819 2.8819 4.7841 4.7841 4.9734 4.9734 5.3111 5.3111 5.3600 5.3600 6.3522 6.3522 k = 0.3710-0.1190-0.0362 ( 8437 PWs) bands (ev): -21.2643 -21.2643 -17.4352 -17.4352 -17.2780 -17.2780 -16.1341 -16.1341 -15.1298 -15.1298 -12.7546 -12.7546 -12.7145 -12.7145 -11.9884 -11.9884 -10.6205 -10.6205 -10.1014 -10.1014 -8.5447 -8.5447 -6.8178 -6.8178 -6.6249 -6.6249 -6.3468 -6.3468 -5.7669 -5.7669 -5.4974 -5.4974 -4.9790 -4.9790 -4.7662 -4.7662 -4.7259 -4.7259 -4.5465 -4.5465 -4.3178 -4.3178 -4.1111 -4.1111 -4.0551 -4.0551 -3.8460 -3.8460 -3.3322 -3.3322 -3.2852 -3.2852 -2.9786 -2.9786 -2.7963 -2.7963 -2.6680 -2.6680 -2.6142 -2.6142 -2.3866 -2.3866 -0.2829 -0.2829 2.8813 2.8813 4.7828 4.7828 4.9888 4.9888 5.3077 5.3077 5.3610 5.3610 6.3129 6.3129 k = 0.3548-0.1138-0.0347 ( 8438 PWs) bands (ev): -21.2644 -21.2644 -17.4344 -17.4344 -17.2796 -17.2796 -16.1344 -16.1344 -15.1298 -15.1298 -12.7515 -12.7515 -12.7104 -12.7104 -11.9900 -11.9900 -10.6244 -10.6244 -10.1027 -10.1027 -8.5435 -8.5435 -6.8133 -6.8133 -6.6220 -6.6220 -6.3469 -6.3469 -5.7651 -5.7651 -5.4970 -5.4970 -4.9859 -4.9859 -4.7730 -4.7730 -4.7183 -4.7183 -4.5479 -4.5479 -4.3157 -4.3157 -4.1125 -4.1125 -4.0519 -4.0519 -3.8461 -3.8461 -3.3423 -3.3423 -3.2887 -3.2887 -2.9869 -2.9869 -2.8040 -2.8040 -2.6612 -2.6612 -2.6125 -2.6125 -2.3787 -2.3787 -0.2860 -0.2860 2.8805 2.8805 4.7817 4.7817 5.0056 5.0056 5.3036 5.3036 5.3621 5.3621 6.2741 6.2741 k = 0.3387-0.1086-0.0331 ( 8438 PWs) bands (ev): -21.2645 -21.2645 -17.4335 -17.4335 -17.2813 -17.2813 -16.1348 -16.1348 -15.1297 -15.1297 -12.7482 -12.7482 -12.7059 -12.7059 -11.9918 -11.9918 -10.6285 -10.6285 -10.1041 -10.1041 -8.5421 -8.5421 -6.8083 -6.8083 -6.6188 -6.6188 -6.3472 -6.3472 -5.7631 -5.7631 -5.4968 -5.4968 -4.9924 -4.9924 -4.7824 -4.7824 -4.7084 -4.7084 -4.5499 -4.5499 -4.3129 -4.3129 -4.1143 -4.1143 -4.0478 -4.0478 -3.8467 -3.8467 -3.3531 -3.3531 -3.2917 -3.2917 -2.9966 -2.9966 -2.8125 -2.8125 -2.6544 -2.6544 -2.6103 -2.6103 -2.3701 -2.3701 -0.2895 -0.2895 2.8798 2.8798 4.7810 4.7810 5.0237 5.0237 5.2987 5.2987 5.3634 5.3634 6.2363 6.2363 k = 0.3226-0.1035-0.0315 ( 8427 PWs) bands (ev): -21.2646 -21.2646 -17.4325 -17.4325 -17.2831 -17.2831 -16.1353 -16.1353 -15.1296 -15.1296 -12.7446 -12.7446 -12.7012 -12.7012 -11.9937 -11.9937 -10.6330 -10.6330 -10.1056 -10.1056 -8.5406 -8.5406 -6.8030 -6.8030 -6.6153 -6.6153 -6.3476 -6.3476 -5.7610 -5.7610 -5.4968 -5.4968 -4.9983 -4.9983 -4.7929 -4.7929 -4.6977 -4.6977 -4.5526 -4.5526 -4.3094 -4.3094 -4.1162 -4.1162 -4.0430 -4.0430 -3.8477 -3.8477 -3.3642 -3.3642 -3.2941 -3.2941 -3.0076 -3.0076 -2.8217 -2.8217 -2.6479 -2.6479 -2.6075 -2.6075 -2.3608 -2.3608 -0.2932 -0.2932 2.8790 2.8790 4.7806 4.7806 5.0429 5.0429 5.2929 5.2929 5.3650 5.3650 6.1999 6.1999 k = 0.3065-0.0983-0.0299 ( 8423 PWs) bands (ev): -21.2647 -21.2647 -17.4315 -17.4315 -17.2850 -17.2850 -16.1357 -16.1357 -15.1295 -15.1295 -12.7408 -12.7408 -12.6962 -12.6962 -11.9957 -11.9957 -10.6377 -10.6377 -10.1072 -10.1072 -8.5390 -8.5390 -6.7975 -6.7975 -6.6117 -6.6117 -6.3482 -6.3482 -5.7586 -5.7586 -5.4970 -5.4970 -5.0037 -5.0037 -4.8040 -4.8040 -4.6869 -4.6869 -4.5561 -4.5561 -4.3055 -4.3055 -4.1179 -4.1179 -4.0377 -4.0377 -3.8493 -3.8493 -3.3758 -3.3758 -3.2956 -3.2956 -3.0200 -3.0200 -2.8317 -2.8317 -2.6420 -2.6420 -2.6039 -2.6039 -2.3509 -2.3509 -0.2972 -0.2972 2.8782 2.8782 4.7807 4.7807 5.0629 5.0629 5.2862 5.2862 5.3669 5.3669 6.1650 6.1650 k = 0.2903-0.0931-0.0284 ( 8428 PWs) bands (ev): -21.2648 -21.2648 -17.4303 -17.4303 -17.2871 -17.2871 -16.1362 -16.1362 -15.1294 -15.1294 -12.7368 -12.7368 -12.6911 -12.6911 -11.9979 -11.9979 -10.6425 -10.6425 -10.1089 -10.1089 -8.5374 -8.5374 -6.7916 -6.7916 -6.6078 -6.6078 -6.3491 -6.3491 -5.7560 -5.7560 -5.4975 -5.4975 -5.0083 -5.0083 -4.8154 -4.8154 -4.6764 -4.6764 -4.5601 -4.5601 -4.3011 -4.3011 -4.1192 -4.1192 -4.0320 -4.0320 -3.8513 -3.8513 -3.3876 -3.3876 -3.2963 -3.2963 -3.0337 -3.0337 -2.8425 -2.8425 -2.6368 -2.6368 -2.5996 -2.5996 -2.3405 -2.3405 -0.3015 -0.3015 2.8774 2.8774 4.7813 4.7813 5.0836 5.0836 5.2783 5.2783 5.3693 5.3693 6.1318 6.1318 k = 0.2742-0.0879-0.0268 ( 8427 PWs) bands (ev): -21.2650 -21.2650 -17.4291 -17.4291 -17.2893 -17.2893 -16.1366 -16.1366 -15.1293 -15.1293 -12.7327 -12.7327 -12.6858 -12.6858 -12.0001 -12.0001 -10.6475 -10.6475 -10.1106 -10.1106 -8.5357 -8.5357 -6.7855 -6.7855 -6.6038 -6.6038 -6.3503 -6.3503 -5.7533 -5.7533 -5.4983 -5.4983 -5.0122 -5.0122 -4.8269 -4.8269 -4.6663 -4.6663 -4.5646 -4.5646 -4.2967 -4.2967 -4.1197 -4.1197 -4.0260 -4.0260 -3.8538 -3.8538 -3.3995 -3.3995 -3.2960 -3.2960 -3.0485 -3.0485 -2.8539 -2.8539 -2.6325 -2.6325 -2.5946 -2.5946 -2.3296 -2.3296 -0.3059 -0.3059 2.8766 2.8766 4.7824 4.7824 5.1047 5.1047 5.2693 5.2693 5.3721 5.3721 6.1006 6.1006 k = 0.2581-0.0828-0.0252 ( 8433 PWs) bands (ev): -21.2651 -21.2651 -17.4278 -17.4278 -17.2915 -17.2915 -16.1371 -16.1371 -15.1292 -15.1292 -12.7284 -12.7284 -12.6804 -12.6804 -12.0024 -12.0024 -10.6526 -10.6526 -10.1123 -10.1123 -8.5340 -8.5340 -6.7793 -6.7793 -6.5997 -6.5997 -6.3517 -6.3517 -5.7504 -5.7504 -5.4994 -5.4994 -5.0153 -5.0153 -4.8382 -4.8382 -4.6568 -4.6568 -4.5695 -4.5695 -4.2924 -4.2924 -4.1190 -4.1190 -4.0198 -4.0198 -3.8567 -3.8567 -3.4115 -3.4115 -3.2948 -3.2948 -3.0643 -3.0643 -2.8660 -2.8660 -2.6291 -2.6291 -2.5888 -2.5888 -2.3186 -2.3186 -0.3104 -0.3104 2.8759 2.8759 4.7842 4.7842 5.1260 5.1260 5.2594 5.2594 5.3754 5.3754 6.0715 6.0715 k = 0.2419-0.0776-0.0236 ( 8429 PWs) bands (ev): -21.2652 -21.2652 -17.4265 -17.4265 -17.2938 -17.2938 -16.1376 -16.1376 -15.1291 -15.1291 -12.7241 -12.7241 -12.6750 -12.6750 -12.0047 -12.0047 -10.6577 -10.6577 -10.1140 -10.1140 -8.5322 -8.5322 -6.7730 -6.7730 -6.5954 -6.5954 -6.3534 -6.3534 -5.7474 -5.7474 -5.5008 -5.5008 -5.0175 -5.0175 -4.8494 -4.8494 -4.6482 -4.6482 -4.5746 -4.5746 -4.2887 -4.2887 -4.1168 -4.1168 -4.0134 -4.0134 -3.8599 -3.8599 -3.4234 -3.4234 -3.2926 -3.2926 -3.0810 -3.0810 -2.8786 -2.8786 -2.6265 -2.6265 -2.5827 -2.5827 -2.3073 -2.3073 -0.3151 -0.3151 2.8751 2.8751 4.7866 4.7866 5.1471 5.1471 5.2485 5.2485 5.3791 5.3791 6.0445 6.0445 k = 0.2258-0.0724-0.0221 ( 8425 PWs) bands (ev): -21.2653 -21.2653 -17.4251 -17.4251 -17.2961 -17.2961 -16.1380 -16.1380 -15.1291 -15.1291 -12.7197 -12.7197 -12.6697 -12.6697 -12.0071 -12.0071 -10.6628 -10.6628 -10.1157 -10.1157 -8.5305 -8.5305 -6.7666 -6.7666 -6.5911 -6.5911 -6.3554 -6.3554 -5.7442 -5.7442 -5.5025 -5.5025 -5.0189 -5.0189 -4.8602 -4.8602 -4.6404 -4.6404 -4.5799 -4.5799 -4.2856 -4.2856 -4.1128 -4.1128 -4.0069 -4.0069 -3.8633 -3.8633 -3.4351 -3.4351 -3.2895 -3.2895 -3.0982 -3.0982 -2.8917 -2.8917 -2.6246 -2.6246 -2.5762 -2.5762 -2.2961 -2.2961 -0.3198 -0.3198 2.8744 2.8744 4.7897 4.7897 5.1675 5.1675 5.2369 5.2369 5.3831 5.3831 6.0197 6.0197 k = 0.2097-0.0672-0.0205 ( 8432 PWs) bands (ev): -21.2655 -21.2655 -17.4237 -17.4237 -17.2985 -17.2985 -16.1385 -16.1385 -15.1290 -15.1290 -12.7154 -12.7154 -12.6644 -12.6644 -12.0094 -12.0094 -10.6678 -10.6678 -10.1174 -10.1174 -8.5288 -8.5288 -6.7603 -6.7603 -6.5867 -6.5867 -6.3577 -6.3577 -5.7410 -5.7410 -5.5045 -5.5045 -5.0195 -5.0195 -4.8707 -4.8707 -4.6336 -4.6336 -4.5852 -4.5852 -4.2836 -4.2836 -4.1070 -4.1070 -4.0004 -4.0004 -3.8669 -3.8669 -3.4465 -3.4465 -3.2858 -3.2858 -3.1157 -3.1157 -2.9053 -2.9053 -2.6231 -2.6231 -2.5697 -2.5697 -2.2850 -2.2850 -0.3245 -0.3245 2.8737 2.8737 4.7935 4.7935 5.1865 5.1865 5.2254 5.2254 5.3874 5.3874 5.9973 5.9973 k = 0.1935-0.0621-0.0189 ( 8428 PWs) bands (ev): -21.2656 -21.2656 -17.4223 -17.4223 -17.3009 -17.3009 -16.1389 -16.1389 -15.1289 -15.1289 -12.7111 -12.7111 -12.6592 -12.6592 -12.0117 -12.0117 -10.6727 -10.6727 -10.1190 -10.1190 -8.5271 -8.5271 -6.7540 -6.7540 -6.5824 -6.5824 -6.3602 -6.3602 -5.7377 -5.7377 -5.5068 -5.5068 -5.0194 -5.0194 -4.8807 -4.8807 -4.6278 -4.6278 -4.5904 -4.5904 -4.2827 -4.2827 -4.0995 -4.0995 -3.9938 -3.9938 -3.8705 -3.8705 -3.4576 -3.4576 -3.2817 -3.2817 -3.1331 -3.1331 -2.9192 -2.9192 -2.6221 -2.6221 -2.5633 -2.5633 -2.2741 -2.2741 -0.3291 -0.3291 2.8731 2.8731 4.7979 4.7979 5.1986 5.1986 5.2193 5.2193 5.3920 5.3920 5.9771 5.9771 k = 0.1774-0.0569-0.0173 ( 8423 PWs) bands (ev): -21.2657 -21.2657 -17.4208 -17.4208 -17.3032 -17.3032 -16.1393 -16.1393 -15.1288 -15.1288 -12.7070 -12.7070 -12.6543 -12.6543 -12.0140 -12.0140 -10.6774 -10.6774 -10.1206 -10.1206 -8.5255 -8.5255 -6.7479 -6.7479 -6.5781 -6.5781 -6.3630 -6.3630 -5.7344 -5.7344 -5.5092 -5.5092 -5.0185 -5.0185 -4.8902 -4.8902 -4.6231 -4.6231 -4.5954 -4.5954 -4.2827 -4.2827 -4.0904 -4.0904 -3.9871 -3.9871 -3.8741 -3.8741 -3.4682 -3.4682 -3.2776 -3.2776 -3.1499 -3.1499 -2.9333 -2.9333 -2.6214 -2.6214 -2.5572 -2.5572 -2.2636 -2.2636 -0.3337 -0.3337 2.8725 2.8725 4.8031 4.8031 5.1919 5.1919 5.2303 5.2303 5.3967 5.3967 5.9593 5.9593 k = 0.1613-0.0517-0.0158 ( 8418 PWs) bands (ev): -21.2658 -21.2658 -17.4194 -17.4194 -17.3055 -17.3055 -16.1397 -16.1397 -15.1287 -15.1287 -12.7030 -12.7030 -12.6496 -12.6496 -12.0162 -12.0162 -10.6818 -10.6818 -10.1220 -10.1220 -8.5239 -8.5239 -6.7420 -6.7420 -6.5739 -6.5739 -6.3659 -6.3659 -5.7311 -5.7311 -5.5117 -5.5117 -5.0171 -5.0171 -4.8991 -4.8991 -4.6194 -4.6194 -4.6001 -4.6001 -4.2836 -4.2836 -4.0801 -4.0801 -3.9803 -3.9803 -3.8775 -3.8775 -3.4782 -3.4782 -3.2743 -3.2743 -3.1651 -3.1651 -2.9477 -2.9477 -2.6210 -2.6210 -2.5513 -2.5513 -2.2536 -2.2536 -0.3381 -0.3381 2.8720 2.8720 4.8089 4.8089 5.1790 5.1790 5.2459 5.2459 5.4014 5.4014 5.9439 5.9439 k = 0.1452-0.0466-0.0142 ( 8417 PWs) bands (ev): -21.2659 -21.2659 -17.4180 -17.4180 -17.3077 -17.3077 -16.1401 -16.1401 -15.1287 -15.1287 -12.6992 -12.6992 -12.6452 -12.6452 -12.0182 -12.0182 -10.6860 -10.6860 -10.1234 -10.1234 -8.5224 -8.5224 -6.7364 -6.7364 -6.5698 -6.5698 -6.3690 -6.3690 -5.7279 -5.7279 -5.5144 -5.5144 -5.0152 -5.0152 -4.9074 -4.9074 -4.6168 -4.6168 -4.6042 -4.6042 -4.2852 -4.2852 -4.0693 -4.0693 -3.9733 -3.9733 -3.8807 -3.8807 -3.4876 -3.4876 -3.2728 -3.2728 -3.1775 -3.1775 -2.9622 -2.9622 -2.6207 -2.6207 -2.5458 -2.5458 -2.2442 -2.2442 -0.3423 -0.3423 2.8715 2.8715 4.8152 4.8152 5.1651 5.1651 5.2608 5.2608 5.4060 5.4060 5.9307 5.9307 k = 0.1290-0.0414-0.0126 ( 8402 PWs) bands (ev): -21.2660 -21.2660 -17.4166 -17.4166 -17.3098 -17.3098 -16.1404 -16.1404 -15.1286 -15.1286 -12.6956 -12.6956 -12.6411 -12.6411 -12.0201 -12.0201 -10.6899 -10.6899 -10.1247 -10.1247 -8.5211 -8.5211 -6.7311 -6.7311 -6.5660 -6.5660 -6.3721 -6.3721 -5.7248 -5.7248 -5.5170 -5.5170 -5.0129 -5.0129 -4.9150 -4.9150 -4.6156 -4.6156 -4.6075 -4.6075 -4.2871 -4.2871 -4.0584 -4.0584 -3.9660 -3.9660 -3.8835 -3.8835 -3.4962 -3.4962 -3.2746 -3.2746 -3.1855 -3.1855 -2.9766 -2.9766 -2.6207 -2.6207 -2.5407 -2.5407 -2.2355 -2.2355 -0.3462 -0.3462 2.8711 2.8711 4.8220 4.8220 5.1510 5.1510 5.2742 5.2742 5.4105 5.4105 5.9199 5.9199 k = 0.1129-0.0362-0.0110 ( 8397 PWs) bands (ev): -21.2661 -21.2661 -17.4154 -17.4154 -17.3117 -17.3117 -16.1407 -16.1407 -15.1285 -15.1285 -12.6924 -12.6924 -12.6374 -12.6374 -12.0219 -12.0219 -10.6934 -10.6934 -10.1259 -10.1259 -8.5198 -8.5198 -6.7262 -6.7262 -6.5623 -6.5623 -6.3752 -6.3752 -5.7219 -5.7219 -5.5195 -5.5195 -5.0103 -5.0103 -4.9220 -4.9220 -4.6162 -4.6162 -4.6093 -4.6093 -4.2893 -4.2893 -4.0481 -4.0481 -3.9586 -3.9586 -3.8861 -3.8861 -3.5040 -3.5040 -3.2803 -3.2803 -3.1883 -3.1883 -2.9910 -2.9910 -2.6208 -2.6208 -2.5362 -2.5362 -2.2276 -2.2276 -0.3498 -0.3498 2.8707 2.8707 4.8292 4.8292 5.1372 5.1372 5.2859 5.2859 5.4146 5.4146 5.9111 5.9111 k = 0.0968-0.0310-0.0095 ( 8402 PWs) bands (ev): -21.2662 -21.2662 -17.4142 -17.4142 -17.3135 -17.3135 -16.1410 -16.1410 -15.1285 -15.1285 -12.6895 -12.6895 -12.6341 -12.6341 -12.0235 -12.0235 -10.6966 -10.6966 -10.1269 -10.1269 -8.5187 -8.5187 -6.7218 -6.7218 -6.5590 -6.5590 -6.3781 -6.3781 -5.7192 -5.7192 -5.5220 -5.5220 -5.0076 -5.0076 -4.9282 -4.9282 -4.6182 -4.6182 -4.6097 -4.6097 -4.2915 -4.2915 -4.0388 -4.0388 -3.9510 -3.9510 -3.8882 -3.8882 -3.5109 -3.5109 -3.2892 -3.2892 -3.1864 -3.1864 -3.0051 -3.0051 -2.6209 -2.6209 -2.5322 -2.5322 -2.2206 -2.2206 -0.3530 -0.3530 2.8704 2.8704 4.8364 4.8364 5.1240 5.1240 5.2960 5.2960 5.4185 5.4185 5.9042 5.9042 k = 0.0806-0.0259-0.0079 ( 8392 PWs) bands (ev): -21.2663 -21.2663 -17.4131 -17.4131 -17.3151 -17.3151 -16.1412 -16.1412 -15.1284 -15.1284 -12.6870 -12.6870 -12.6313 -12.6313 -12.0249 -12.0249 -10.6993 -10.6993 -10.1278 -10.1278 -8.5178 -8.5178 -6.7179 -6.7179 -6.5561 -6.5561 -6.3809 -6.3809 -5.7168 -5.7168 -5.5241 -5.5241 -5.0049 -5.0049 -4.9337 -4.9337 -4.6205 -4.6205 -4.6099 -4.6099 -4.2935 -4.2935 -4.0307 -4.0307 -3.9436 -3.9436 -3.8899 -3.8899 -3.5168 -3.5168 -3.2996 -3.2996 -3.1812 -3.1812 -3.0187 -3.0187 -2.6211 -2.6211 -2.5287 -2.5287 -2.2146 -2.2146 -0.3558 -0.3558 2.8702 2.8702 4.8435 4.8435 5.1116 5.1116 5.3042 5.3042 5.4218 5.4218 5.8990 5.8990 k = 0.0645-0.0207-0.0063 ( 8392 PWs) bands (ev): -21.2663 -21.2663 -17.4122 -17.4122 -17.3164 -17.3164 -16.1414 -16.1414 -15.1284 -15.1284 -12.6848 -12.6848 -12.6289 -12.6289 -12.0260 -12.0260 -10.7015 -10.7015 -10.1285 -10.1285 -8.5170 -8.5170 -6.7147 -6.7147 -6.5536 -6.5536 -6.3833 -6.3833 -5.7148 -5.7148 -5.5260 -5.5260 -5.0023 -5.0023 -4.9384 -4.9384 -4.6225 -4.6225 -4.6101 -4.6101 -4.2953 -4.2953 -4.0242 -4.0242 -3.9366 -3.9366 -3.8911 -3.8911 -3.5217 -3.5217 -3.3100 -3.3100 -3.1742 -3.1742 -3.0316 -3.0316 -2.6213 -2.6213 -2.5258 -2.5258 -2.2095 -2.2095 -0.3582 -0.3582 2.8700 2.8700 4.8502 4.8502 5.1006 5.1006 5.3108 5.3108 5.4247 5.4247 5.8952 5.8952 k = 0.0484-0.0155-0.0047 ( 8384 PWs) bands (ev): -21.2664 -21.2664 -17.4115 -17.4115 -17.3175 -17.3175 -16.1416 -16.1416 -15.1284 -15.1284 -12.6831 -12.6831 -12.6270 -12.6270 -12.0270 -12.0270 -10.7033 -10.7033 -10.1291 -10.1291 -8.5164 -8.5164 -6.7121 -6.7121 -6.5515 -6.5515 -6.3853 -6.3853 -5.7131 -5.7131 -5.5276 -5.5276 -5.0000 -5.0000 -4.9422 -4.9422 -4.6242 -4.6242 -4.6104 -4.6104 -4.2967 -4.2967 -4.0193 -4.0193 -3.9307 -3.9307 -3.8918 -3.8918 -3.5256 -3.5256 -3.3192 -3.3192 -3.1666 -3.1666 -3.0433 -3.0433 -2.6215 -2.6215 -2.5236 -2.5236 -2.2055 -2.2055 -0.3601 -0.3601 2.8698 2.8698 4.8561 4.8561 5.0913 5.0913 5.3159 5.3159 5.4269 5.4269 5.8926 5.8926 k = 0.0323-0.0103-0.0032 ( 8393 PWs) bands (ev): -21.2664 -21.2664 -17.4109 -17.4109 -17.3183 -17.3183 -16.1417 -16.1417 -15.1284 -15.1284 -12.6819 -12.6819 -12.6257 -12.6257 -12.0276 -12.0276 -10.7046 -10.7046 -10.1295 -10.1295 -8.5159 -8.5159 -6.7102 -6.7102 -6.5500 -6.5500 -6.3868 -6.3868 -5.7119 -5.7119 -5.5287 -5.5287 -4.9982 -4.9982 -4.9450 -4.9450 -4.6254 -4.6254 -4.6107 -4.6107 -4.2978 -4.2978 -4.0158 -4.0158 -3.9262 -3.9262 -3.8922 -3.8922 -3.5283 -3.5283 -3.3263 -3.3263 -3.1596 -3.1596 -3.0529 -3.0529 -2.6216 -2.6216 -2.5220 -2.5220 -2.2027 -2.2027 -0.3614 -0.3614 2.8697 2.8697 4.8607 4.8607 5.0841 5.0841 5.3194 5.3194 5.4285 5.4285 5.8909 5.8909 k = 0.0161-0.0052-0.0016 ( 8390 PWs) bands (ev): -21.2664 -21.2664 -17.4106 -17.4106 -17.3188 -17.3188 -16.1417 -16.1417 -15.1283 -15.1283 -12.6812 -12.6812 -12.6249 -12.6249 -12.0280 -12.0280 -10.7054 -10.7054 -10.1298 -10.1298 -8.5156 -8.5156 -6.7091 -6.7091 -6.5491 -6.5491 -6.3878 -6.3878 -5.7111 -5.7111 -5.5294 -5.5294 -4.9971 -4.9971 -4.9467 -4.9467 -4.6261 -4.6261 -4.6109 -4.6109 -4.2984 -4.2984 -4.0138 -4.0138 -3.9234 -3.9234 -3.8922 -3.8922 -3.5300 -3.5300 -3.3308 -3.3308 -3.1545 -3.1545 -3.0596 -3.0596 -2.6217 -2.6217 -2.5210 -2.5210 -2.2009 -2.2009 -0.3622 -0.3622 2.8696 2.8696 4.8636 4.8636 5.0797 5.0797 5.3214 5.3214 5.4295 5.4295 5.8900 5.8900 k = 0.0000 0.0000 0.0000 ( 8389 PWs) bands (ev): -21.2664 -21.2664 -17.4105 -17.4105 -17.3189 -17.3189 -16.1418 -16.1418 -15.1283 -15.1283 -12.6809 -12.6809 -12.6246 -12.6246 -12.0282 -12.0282 -10.7056 -10.7056 -10.1299 -10.1299 -8.5155 -8.5155 -6.7087 -6.7087 -6.5488 -6.5488 -6.3881 -6.3881 -5.7109 -5.7109 -5.5297 -5.5297 -4.9967 -4.9967 -4.9473 -4.9473 -4.6263 -4.6263 -4.6110 -4.6110 -4.2987 -4.2987 -4.0131 -4.0131 -3.9225 -3.9225 -3.8922 -3.8922 -3.5305 -3.5305 -3.3323 -3.3323 -3.1526 -3.1526 -3.0620 -3.0620 -2.6217 -2.6217 -2.5207 -2.5207 -2.2003 -2.2003 -0.3625 -0.3625 2.8696 2.8696 4.8647 4.8647 5.0781 5.0781 5.3221 5.3221 5.4299 5.4299 5.8897 5.8897 k = 0.0000 0.0000 0.0000 ( 8389 PWs) bands (ev): -21.2664 -21.2664 -17.4105 -17.4105 -17.3189 -17.3189 -16.1418 -16.1418 -15.1283 -15.1283 -12.6809 -12.6809 -12.6246 -12.6246 -12.0282 -12.0282 -10.7056 -10.7056 -10.1299 -10.1299 -8.5155 -8.5155 -6.7087 -6.7087 -6.5488 -6.5488 -6.3881 -6.3881 -5.7109 -5.7109 -5.5297 -5.5297 -4.9967 -4.9967 -4.9473 -4.9473 -4.6263 -4.6263 -4.6110 -4.6110 -4.2987 -4.2987 -4.0131 -4.0131 -3.9225 -3.9225 -3.8922 -3.8922 -3.5305 -3.5305 -3.3323 -3.3323 -3.1526 -3.1526 -3.0620 -3.0620 -2.6217 -2.6217 -2.5207 -2.5207 -2.2003 -2.2003 -0.3625 -0.3625 2.8696 2.8696 4.8647 4.8647 5.0781 5.0781 5.3221 5.3221 5.4299 5.4299 5.8897 5.8897 k = 0.0000 0.0165-0.0027 ( 8389 PWs) bands (ev): -21.2664 -21.2664 -17.4104 -17.4104 -17.3189 -17.3189 -16.1419 -16.1419 -15.1282 -15.1282 -12.6809 -12.6809 -12.6247 -12.6247 -12.0285 -12.0285 -10.7051 -10.7051 -10.1299 -10.1299 -8.5155 -8.5155 -6.7086 -6.7086 -6.5486 -6.5486 -6.3877 -6.3877 -5.7110 -5.7110 -5.5295 -5.5295 -4.9972 -4.9972 -4.9476 -4.9476 -4.6262 -4.6262 -4.6124 -4.6124 -4.2987 -4.2987 -4.0128 -4.0128 -3.9233 -3.9233 -3.8925 -3.8925 -3.5301 -3.5301 -3.3306 -3.3306 -3.1527 -3.1527 -3.0612 -3.0612 -2.6222 -2.6222 -2.5206 -2.5206 -2.2008 -2.2008 -0.3624 -0.3624 2.8695 2.8695 4.8645 4.8645 5.0782 5.0782 5.3211 5.3211 5.4287 5.4287 5.8907 5.8907 k = 0.0000 0.0330-0.0054 ( 8398 PWs) bands (ev): -21.2664 -21.2664 -17.4103 -17.4103 -17.3188 -17.3188 -16.1424 -16.1424 -15.1279 -15.1279 -12.6810 -12.6810 -12.6249 -12.6249 -12.0296 -12.0296 -10.7035 -10.7035 -10.1300 -10.1300 -8.5153 -8.5153 -6.7083 -6.7083 -6.5480 -6.5480 -6.3867 -6.3867 -5.7114 -5.7114 -5.5289 -5.5289 -4.9989 -4.9989 -4.9483 -4.9483 -4.6259 -4.6259 -4.6161 -4.6161 -4.2989 -4.2989 -4.0121 -4.0121 -3.9256 -3.9256 -3.8930 -3.8930 -3.5287 -3.5287 -3.3256 -3.3256 -3.1528 -3.1528 -3.0590 -3.0590 -2.6235 -2.6235 -2.5203 -2.5203 -2.2020 -2.2020 -0.3619 -0.3619 2.8691 2.8691 4.8640 4.8640 5.0783 5.0783 5.3180 5.3180 5.4251 5.4251 5.8937 5.8937 k = 0.0000 0.0495-0.0080 ( 8402 PWs) bands (ev): -21.2664 -21.2664 -17.4102 -17.4102 -17.3187 -17.3187 -16.1432 -16.1432 -15.1274 -15.1274 -12.6810 -12.6810 -12.6252 -12.6252 -12.0313 -12.0313 -10.7009 -10.7009 -10.1302 -10.1302 -8.5150 -8.5150 -6.7077 -6.7077 -6.5471 -6.5471 -6.3850 -6.3850 -5.7121 -5.7121 -5.5280 -5.5280 -5.0015 -5.0015 -4.9497 -4.9497 -4.6278 -4.6278 -4.6200 -4.6200 -4.2991 -4.2991 -4.0117 -4.0117 -3.9293 -3.9293 -3.8932 -3.8932 -3.5263 -3.5263 -3.3175 -3.3175 -3.1530 -3.1530 -3.0555 -3.0555 -2.6258 -2.6258 -2.5199 -2.5199 -2.2039 -2.2039 -0.3612 -0.3612 2.8686 2.8686 4.8631 4.8631 5.0786 5.0786 5.3130 5.3130 5.4192 5.4192 5.8986 5.8986 k = 0.0000 0.0661-0.0107 ( 8405 PWs) bands (ev): -21.2664 -21.2664 -17.4099 -17.4099 -17.3185 -17.3185 -16.1442 -16.1442 -15.1267 -15.1267 -12.6810 -12.6810 -12.6257 -12.6257 -12.0337 -12.0337 -10.6973 -10.6973 -10.1305 -10.1305 -8.5146 -8.5146 -6.7069 -6.7069 -6.5457 -6.5457 -6.3827 -6.3827 -5.7131 -5.7131 -5.5268 -5.5268 -5.0050 -5.0050 -4.9517 -4.9517 -4.6356 -4.6356 -4.6199 -4.6199 -4.2994 -4.2994 -4.0126 -4.0126 -3.9336 -3.9336 -3.8925 -3.8925 -3.5231 -3.5231 -3.3070 -3.3070 -3.1528 -3.1528 -3.0508 -3.0508 -2.6288 -2.6288 -2.5195 -2.5195 -2.2067 -2.2067 -0.3602 -0.3602 2.8678 2.8678 4.8619 4.8619 5.0789 5.0789 5.3061 5.3061 5.4111 5.4111 5.9056 5.9056 k = 0.0000 0.0826-0.0134 ( 8399 PWs) bands (ev): -21.2664 -21.2664 -17.4096 -17.4096 -17.3183 -17.3183 -16.1456 -16.1456 -15.1258 -15.1258 -12.6811 -12.6811 -12.6262 -12.6262 -12.0366 -12.0366 -10.6928 -10.6928 -10.1308 -10.1308 -8.5140 -8.5140 -6.7059 -6.7059 -6.5439 -6.5439 -6.3798 -6.3798 -5.7142 -5.7142 -5.5252 -5.5252 -5.0091 -5.0091 -4.9546 -4.9546 -4.6470 -4.6470 -4.6179 -4.6179 -4.2997 -4.2997 -4.0164 -4.0164 -3.9370 -3.9370 -3.8908 -3.8908 -3.5189 -3.5189 -3.2947 -3.2947 -3.1520 -3.1520 -3.0451 -3.0451 -2.6324 -2.6324 -2.5190 -2.5190 -2.2101 -2.2101 -0.3589 -0.3589 2.8667 2.8667 4.8604 4.8604 5.0792 5.0792 5.2976 5.2976 5.4009 5.4009 5.9145 5.9145 k = 0.0000 0.0991-0.0161 ( 8406 PWs) bands (ev): -21.2663 -21.2663 -17.4093 -17.4093 -17.3180 -17.3180 -16.1472 -16.1472 -15.1247 -15.1247 -12.6811 -12.6811 -12.6269 -12.6269 -12.0402 -12.0402 -10.6874 -10.6874 -10.1313 -10.1313 -8.5133 -8.5133 -6.7047 -6.7047 -6.5418 -6.5418 -6.3764 -6.3764 -5.7154 -5.7154 -5.5234 -5.5234 -5.0136 -5.0136 -4.9583 -4.9583 -4.6606 -4.6606 -4.6152 -4.6152 -4.3001 -4.3001 -4.0243 -4.0243 -3.9384 -3.9384 -3.8878 -3.8878 -3.5138 -3.5138 -3.2814 -3.2814 -3.1502 -3.1502 -3.0384 -3.0384 -2.6368 -2.6368 -2.5187 -2.5187 -2.2141 -2.2141 -0.3574 -0.3574 2.8655 2.8655 4.8587 4.8587 5.0797 5.0797 5.2877 5.2877 5.3889 5.3889 5.9254 5.9254 k = 0.0000 0.1156-0.0188 ( 8406 PWs) bands (ev): -21.2663 -21.2663 -17.4089 -17.4089 -17.3177 -17.3177 -16.1491 -16.1491 -15.1234 -15.1234 -12.6811 -12.6811 -12.6277 -12.6277 -12.0443 -12.0443 -10.6811 -10.6811 -10.1318 -10.1318 -8.5126 -8.5126 -6.7033 -6.7033 -6.5392 -6.5392 -6.3727 -6.3727 -5.7167 -5.7167 -5.5213 -5.5213 -5.0184 -5.0184 -4.9630 -4.9630 -4.6759 -4.6759 -4.6120 -4.6120 -4.3006 -4.3006 -4.0364 -4.0364 -3.9376 -3.9376 -3.8834 -3.8834 -3.5079 -3.5079 -3.2680 -3.2680 -3.1469 -3.1469 -3.0311 -3.0311 -2.6416 -2.6416 -2.5186 -2.5186 -2.2187 -2.2187 -0.3556 -0.3556 2.8640 2.8640 4.8568 4.8568 5.0801 5.0801 5.2766 5.2766 5.3751 5.3751 5.9382 5.9382 k = 0.0000 0.1321-0.0214 ( 8408 PWs) bands (ev): -21.2662 -21.2662 -17.4084 -17.4084 -17.3173 -17.3173 -16.1512 -16.1512 -15.1220 -15.1220 -12.6811 -12.6811 -12.6286 -12.6286 -12.0488 -12.0488 -10.6742 -10.6742 -10.1324 -10.1324 -8.5117 -8.5117 -6.7017 -6.7017 -6.5363 -6.5363 -6.3687 -6.3687 -5.7180 -5.7180 -5.5189 -5.5189 -5.0233 -5.0233 -4.9687 -4.9687 -4.6925 -4.6925 -4.6084 -4.6084 -4.3012 -4.3012 -4.0519 -4.0519 -3.9353 -3.9353 -3.8774 -3.8774 -3.5013 -3.5013 -3.2554 -3.2554 -3.1415 -3.1415 -3.0231 -3.0231 -2.6469 -2.6469 -2.5188 -2.5188 -2.2238 -2.2238 -0.3537 -0.3537 2.8624 2.8624 4.8547 4.8547 5.0806 5.0806 5.2646 5.2646 5.3599 5.3599 5.9530 5.9530 k = 0.0000 0.1486-0.0241 ( 8415 PWs) bands (ev): -21.2661 -21.2661 -17.4079 -17.4079 -17.3169 -17.3169 -16.1535 -16.1535 -15.1205 -15.1205 -12.6811 -12.6811 -12.6295 -12.6295 -12.0537 -12.0537 -10.6666 -10.6666 -10.1330 -10.1330 -8.5108 -8.5108 -6.6999 -6.6999 -6.5330 -6.5330 -6.3646 -6.3646 -5.7191 -5.7191 -5.5164 -5.5164 -5.0284 -5.0284 -4.9754 -4.9754 -4.7100 -4.7100 -4.6045 -4.6045 -4.3018 -4.3018 -4.0697 -4.0697 -3.9323 -3.9323 -3.8701 -3.8701 -3.4941 -3.4941 -3.2444 -3.2444 -3.1334 -3.1334 -3.0147 -3.0147 -2.6525 -2.6525 -2.5194 -2.5194 -2.2292 -2.2292 -0.3515 -0.3515 2.8605 2.8605 4.8526 4.8526 5.0810 5.0810 5.2518 5.2518 5.3435 5.3435 5.9697 5.9697 k = 0.0000 0.1651-0.0268 ( 8427 PWs) bands (ev): -21.2661 -21.2661 -17.4074 -17.4074 -17.3165 -17.3165 -16.1559 -16.1559 -15.1189 -15.1189 -12.6811 -12.6811 -12.6306 -12.6306 -12.0589 -12.0589 -10.6584 -10.6584 -10.1338 -10.1338 -8.5098 -8.5098 -6.6980 -6.6980 -6.5293 -6.5293 -6.3604 -6.3604 -5.7201 -5.7201 -5.5137 -5.5137 -5.0333 -5.0333 -4.9829 -4.9829 -4.7281 -4.7281 -4.6005 -4.6005 -4.3027 -4.3027 -4.0889 -4.0889 -3.9291 -3.9291 -3.8614 -3.8614 -3.4864 -3.4864 -3.2356 -3.2356 -3.1226 -3.1226 -3.0059 -3.0059 -2.6584 -2.6584 -2.5204 -2.5204 -2.2350 -2.2350 -0.3492 -0.3492 2.8584 2.8584 4.8504 4.8504 5.0814 5.0814 5.2386 5.2386 5.3260 5.3260 5.9884 5.9884 k = 0.0000 0.1817-0.0295 ( 8431 PWs) bands (ev): -21.2660 -21.2660 -17.4069 -17.4069 -17.3161 -17.3161 -16.1585 -16.1585 -15.1172 -15.1172 -12.6811 -12.6811 -12.6318 -12.6318 -12.0643 -12.0643 -10.6499 -10.6499 -10.1346 -10.1346 -8.5087 -8.5087 -6.6960 -6.6960 -6.5252 -6.5252 -6.3563 -6.3563 -5.7208 -5.7208 -5.5109 -5.5109 -5.0382 -5.0382 -4.9912 -4.9912 -4.7466 -4.7466 -4.5963 -4.5963 -4.3039 -4.3039 -4.1089 -4.1089 -3.9262 -3.9262 -3.8516 -3.8516 -3.4782 -3.4782 -3.2290 -3.2290 -3.1091 -3.1091 -2.9969 -2.9969 -2.6645 -2.6645 -2.5218 -2.5218 -2.2409 -2.2409 -0.3467 -0.3467 2.8562 2.8562 4.8482 4.8482 5.0816 5.0816 5.2251 5.2251 5.3079 5.3079 6.0091 6.0091 k = 0.0000 0.1982-0.0322 ( 8432 PWs) bands (ev): -21.2660 -21.2660 -17.4063 -17.4063 -17.3156 -17.3156 -16.1611 -16.1611 -15.1154 -15.1154 -12.6811 -12.6811 -12.6330 -12.6330 -12.0699 -12.0699 -10.6410 -10.6410 -10.1354 -10.1354 -8.5076 -8.5076 -6.6939 -6.6939 -6.5207 -6.5207 -6.3525 -6.3525 -5.7211 -5.7211 -5.5081 -5.5081 -5.0429 -5.0429 -5.0002 -5.0002 -4.7650 -4.7650 -4.5920 -4.5920 -4.3054 -4.3054 -4.1291 -4.1291 -3.9235 -3.9235 -3.8410 -3.8410 -3.4697 -3.4697 -3.2245 -3.2245 -3.0935 -3.0935 -2.9877 -2.9877 -2.6708 -2.6708 -2.5238 -2.5238 -2.2469 -2.2469 -0.3441 -0.3441 2.8538 2.8538 4.8461 4.8461 5.0818 5.0818 5.2117 5.2117 5.2893 5.2893 6.0317 6.0317 k = 0.0000 0.2147-0.0348 ( 8429 PWs) bands (ev): -21.2659 -21.2659 -17.4057 -17.4057 -17.3151 -17.3151 -16.1638 -16.1638 -15.1136 -15.1136 -12.6810 -12.6810 -12.6343 -12.6343 -12.0756 -12.0756 -10.6319 -10.6319 -10.1363 -10.1363 -8.5065 -8.5065 -6.6916 -6.6916 -6.5158 -6.5158 -6.3490 -6.3490 -5.7210 -5.7210 -5.5051 -5.5051 -5.0476 -5.0476 -5.0098 -5.0098 -4.7831 -4.7831 -4.5877 -4.5877 -4.3074 -4.3074 -4.1489 -4.1489 -3.9210 -3.9210 -3.8300 -3.8300 -3.4611 -3.4611 -3.2214 -3.2214 -3.0765 -3.0765 -2.9784 -2.9784 -2.6771 -2.6771 -2.5262 -2.5262 -2.2529 -2.2529 -0.3415 -0.3415 2.8513 2.8513 4.8442 4.8442 5.0817 5.0817 5.1985 5.1985 5.2706 5.2706 6.0563 6.0563 k = 0.0000 0.2312-0.0375 ( 8428 PWs) bands (ev): -21.2658 -21.2658 -17.4050 -17.4050 -17.3146 -17.3146 -16.1666 -16.1666 -15.1117 -15.1117 -12.6809 -12.6809 -12.6356 -12.6356 -12.0813 -12.0813 -10.6227 -10.6227 -10.1373 -10.1373 -8.5053 -8.5053 -6.6894 -6.6894 -6.5106 -6.5106 -6.3461 -6.3461 -5.7203 -5.7203 -5.5022 -5.5022 -5.0521 -5.0521 -5.0198 -5.0198 -4.8008 -4.8008 -4.5834 -4.5834 -4.3102 -4.3102 -4.1679 -4.1679 -3.9188 -3.9188 -3.8187 -3.8187 -3.4523 -3.4523 -3.2195 -3.2195 -3.0587 -3.0587 -2.9692 -2.9692 -2.6835 -2.6835 -2.5292 -2.5292 -2.2588 -2.2588 -0.3388 -0.3388 2.8487 2.8487 4.8423 4.8423 5.0814 5.0814 5.1857 5.1857 5.2521 5.2521 6.0827 6.0827 k = 0.0000 0.2477-0.0402 ( 8419 PWs) bands (ev): -21.2657 -21.2657 -17.4044 -17.4044 -17.3142 -17.3142 -16.1693 -16.1693 -15.1099 -15.1099 -12.6808 -12.6808 -12.6369 -12.6369 -12.0869 -12.0869 -10.6135 -10.6135 -10.1383 -10.1383 -8.5042 -8.5042 -6.6871 -6.6871 -6.5051 -6.5051 -6.3437 -6.3437 -5.7191 -5.7191 -5.4992 -5.4992 -5.0565 -5.0565 -5.0301 -5.0301 -4.8177 -4.8177 -4.5792 -4.5792 -4.3139 -4.3139 -4.1857 -4.1857 -3.9168 -3.9168 -3.8075 -3.8075 -3.4436 -3.4436 -3.2183 -3.2183 -3.0407 -3.0407 -2.9601 -2.9601 -2.6899 -2.6899 -2.5326 -2.5326 -2.2645 -2.2645 -0.3361 -0.3361 2.8460 2.8460 4.8406 4.8406 5.0808 5.0808 5.1734 5.1734 5.2339 5.2339 6.1112 6.1112 k = 0.0000 0.2642-0.0429 ( 8417 PWs) bands (ev): -21.2657 -21.2657 -17.4038 -17.4038 -17.3137 -17.3137 -16.1720 -16.1720 -15.1082 -15.1082 -12.6806 -12.6806 -12.6383 -12.6383 -12.0925 -12.0925 -10.6044 -10.6044 -10.1393 -10.1393 -8.5030 -8.5030 -6.6848 -6.6848 -6.4992 -6.4992 -6.3421 -6.3421 -5.7174 -5.7174 -5.4964 -5.4964 -5.0609 -5.0609 -5.0406 -5.0406 -4.8337 -4.8337 -4.5750 -4.5750 -4.3188 -4.3188 -4.2017 -4.2017 -3.9149 -3.9149 -3.7964 -3.7964 -3.4349 -3.4349 -3.2177 -3.2177 -3.0228 -3.0228 -2.9511 -2.9511 -2.6962 -2.6962 -2.5365 -2.5365 -2.2699 -2.2699 -0.3334 -0.3334 2.8433 2.8433 4.8391 4.8391 5.0798 5.0798 5.1617 5.1617 5.2165 5.2165 6.1415 6.1415 k = 0.0000 0.2808-0.0455 ( 8415 PWs) bands (ev): -21.2656 -21.2656 -17.4032 -17.4032 -17.3132 -17.3132 -16.1747 -16.1747 -15.1064 -15.1064 -12.6804 -12.6804 -12.6396 -12.6396 -12.0978 -12.0978 -10.5955 -10.5955 -10.1404 -10.1404 -8.5019 -8.5019 -6.6825 -6.6825 -6.4930 -6.4930 -6.3413 -6.3413 -5.7151 -5.7151 -5.4936 -5.4936 -5.0654 -5.0654 -5.0508 -5.0508 -4.8486 -4.8486 -4.5709 -4.5709 -4.3252 -4.3252 -4.2156 -4.2156 -3.9132 -3.9132 -3.7856 -3.7856 -3.4265 -3.4265 -3.2175 -3.2175 -3.0053 -3.0053 -2.9425 -2.9425 -2.7023 -2.7023 -2.5407 -2.5407 -2.2750 -2.2750 -0.3307 -0.3307 2.8406 2.8406 4.8378 4.8378 5.0783 5.0783 5.1509 5.1509 5.2002 5.2002 6.1737 6.1737 k = 0.0000 0.2973-0.0482 ( 8417 PWs) bands (ev): -21.2655 -21.2655 -17.4026 -17.4026 -17.3128 -17.3128 -16.1772 -16.1772 -15.1048 -15.1048 -12.6801 -12.6801 -12.6410 -12.6410 -12.1029 -12.1029 -10.5870 -10.5870 -10.1415 -10.1415 -8.5008 -8.5008 -6.6804 -6.6804 -6.4866 -6.4866 -6.3413 -6.3413 -5.7123 -5.7123 -5.4909 -5.4909 -5.0703 -5.0703 -5.0606 -5.0606 -4.8622 -4.8622 -4.5668 -4.5668 -4.3331 -4.3331 -4.2271 -4.2271 -3.9116 -3.9116 -3.7753 -3.7753 -3.4183 -3.4183 -3.2176 -3.2176 -2.9885 -2.9885 -2.9343 -2.9343 -2.7082 -2.7082 -2.5452 -2.5452 -2.2798 -2.2798 -0.3282 -0.3282 2.8380 2.8380 4.8367 4.8367 5.0762 5.0762 5.1410 5.1410 5.1852 5.1852 6.2077 6.2077 k = 0.0000 0.3138-0.0509 ( 8412 PWs) bands (ev): -21.2655 -21.2655 -17.4021 -17.4021 -17.3123 -17.3123 -16.1796 -16.1796 -15.1032 -15.1032 -12.6799 -12.6799 -12.6423 -12.6423 -12.1076 -12.1076 -10.5789 -10.5789 -10.1425 -10.1425 -8.4998 -8.4998 -6.6783 -6.6783 -6.4799 -6.4799 -6.3421 -6.3421 -5.7090 -5.7090 -5.4885 -5.4885 -5.0762 -5.0762 -5.0691 -5.0691 -4.8744 -4.8744 -4.5628 -4.5628 -4.3426 -4.3426 -4.2361 -4.2361 -3.9101 -3.9101 -3.7657 -3.7657 -3.4105 -3.4105 -3.2179 -3.2179 -2.9726 -2.9726 -2.9265 -2.9265 -2.7139 -2.7139 -2.5499 -2.5499 -2.2842 -2.2842 -0.3258 -0.3258 2.8354 2.8354 4.8357 4.8357 5.0734 5.0734 5.1321 5.1321 5.1717 5.1717 6.2436 6.2436 k = 0.0000 0.3303-0.0536 ( 8418 PWs) bands (ev): -21.2654 -21.2654 -17.4016 -17.4016 -17.3120 -17.3120 -16.1818 -16.1818 -15.1017 -15.1017 -12.6796 -12.6796 -12.6436 -12.6436 -12.1121 -12.1121 -10.5714 -10.5714 -10.1435 -10.1435 -8.4988 -8.4988 -6.6763 -6.6763 -6.4731 -6.4731 -6.3438 -6.3438 -5.7054 -5.7054 -5.4862 -5.4862 -5.0837 -5.0837 -5.0754 -5.0754 -4.8852 -4.8852 -4.5589 -4.5589 -4.3530 -4.3530 -4.2430 -4.2430 -3.9088 -3.9088 -3.7567 -3.7567 -3.4032 -3.4032 -3.2184 -3.2184 -2.9579 -2.9579 -2.9192 -2.9192 -2.7192 -2.7192 -2.5547 -2.5547 -2.2881 -2.2881 -0.3235 -0.3235 2.8329 2.8329 4.8349 4.8349 5.0698 5.0698 5.1241 5.1241 5.1602 5.1602 6.2812 6.2812 k = 0.0000 0.3468-0.0563 ( 8424 PWs) bands (ev): -21.2654 -21.2654 -17.4011 -17.4011 -17.3116 -17.3116 -16.1838 -16.1838 -15.1004 -15.1004 -12.6793 -12.6793 -12.6447 -12.6447 -12.1161 -12.1161 -10.5645 -10.5645 -10.1445 -10.1445 -8.4980 -8.4980 -6.6745 -6.6745 -6.4661 -6.4661 -6.3462 -6.3462 -5.7016 -5.7016 -5.4841 -5.4841 -5.0919 -5.0919 -5.0804 -5.0804 -4.8945 -4.8945 -4.5550 -4.5550 -4.3641 -4.3641 -4.2481 -4.2481 -3.9076 -3.9076 -3.7485 -3.7485 -3.3965 -3.3965 -3.2190 -3.2190 -2.9443 -2.9443 -2.9126 -2.9126 -2.7241 -2.7241 -2.5595 -2.5595 -2.2916 -2.2916 -0.3214 -0.3214 2.8306 2.8306 4.8343 4.8343 5.0656 5.0656 5.1172 5.1172 5.1505 5.1505 6.3205 6.3205 k = 0.0000 0.3633-0.0589 ( 8421 PWs) bands (ev): -21.2653 -21.2653 -17.4007 -17.4007 -17.3113 -17.3113 -16.1856 -16.1856 -15.0993 -15.0993 -12.6790 -12.6790 -12.6458 -12.6458 -12.1196 -12.1196 -10.5583 -10.5583 -10.1454 -10.1454 -8.4972 -8.4972 -6.6729 -6.6729 -6.4592 -6.4592 -6.3493 -6.3493 -5.6977 -5.6977 -5.4824 -5.4824 -5.0996 -5.0996 -5.0848 -5.0848 -4.9023 -4.9023 -4.5512 -4.5512 -4.3750 -4.3750 -4.2518 -4.2518 -3.9065 -3.9065 -3.7413 -3.7413 -3.3904 -3.3904 -3.2196 -3.2196 -2.9322 -2.9322 -2.9067 -2.9067 -2.7285 -2.7285 -2.5640 -2.5640 -2.2946 -2.2946 -0.3196 -0.3196 2.8286 2.8286 4.8338 4.8338 5.0609 5.0609 5.1112 5.1112 5.1429 5.1429 6.3614 6.3614 k = 0.0000 0.3798-0.0616 ( 8424 PWs) bands (ev): -21.2653 -21.2653 -17.4003 -17.4003 -17.3110 -17.3110 -16.1872 -16.1872 -15.0982 -15.0982 -12.6787 -12.6787 -12.6468 -12.6468 -12.1227 -12.1227 -10.5529 -10.5529 -10.1462 -10.1462 -8.4965 -8.4965 -6.6715 -6.6715 -6.4525 -6.4525 -6.3529 -6.3529 -5.6940 -5.6940 -5.4808 -5.4808 -5.1065 -5.1065 -5.0888 -5.0888 -4.9087 -4.9087 -4.5476 -4.5476 -4.3854 -4.3854 -4.2544 -4.2544 -3.9056 -3.9056 -3.7350 -3.7350 -3.3851 -3.3851 -3.2202 -3.2202 -2.9217 -2.9217 -2.9016 -2.9016 -2.7323 -2.7323 -2.5682 -2.5682 -2.2971 -2.2971 -0.3179 -0.3179 2.8267 2.8267 4.8335 4.8335 5.0561 5.0561 5.1062 5.1062 5.1370 5.1370 6.4039 6.4039 k = 0.0000 0.3964-0.0643 ( 8421 PWs) bands (ev): -21.2652 -21.2652 -17.4000 -17.4000 -17.3108 -17.3108 -16.1885 -16.1885 -15.0974 -15.0974 -12.6785 -12.6785 -12.6477 -12.6477 -12.1253 -12.1253 -10.5484 -10.5484 -10.1469 -10.1469 -8.4959 -8.4959 -6.6703 -6.6703 -6.4461 -6.4461 -6.3567 -6.3567 -5.6906 -5.6906 -5.4796 -5.4796 -5.1124 -5.1124 -5.0923 -5.0923 -4.9138 -4.9138 -4.5443 -4.5443 -4.3947 -4.3947 -4.2563 -4.2563 -3.9049 -3.9049 -3.7297 -3.7297 -3.3806 -3.3806 -3.2208 -3.2208 -2.9127 -2.9127 -2.8973 -2.8973 -2.7356 -2.7356 -2.5719 -2.5719 -2.2992 -2.2992 -0.3166 -0.3166 2.8252 2.8252 4.8332 4.8332 5.0515 5.0515 5.1021 5.1021 5.1326 5.1326 6.4477 6.4477 k = 0.0000 0.4129-0.0670 ( 8409 PWs) bands (ev): -21.2652 -21.2652 -17.3998 -17.3998 -17.3106 -17.3106 -16.1895 -16.1895 -15.0967 -15.0967 -12.6782 -12.6782 -12.6483 -12.6483 -12.1273 -12.1273 -10.5448 -10.5448 -10.1474 -10.1474 -8.4954 -8.4954 -6.6694 -6.6694 -6.4404 -6.4404 -6.3604 -6.3604 -5.6877 -5.6877 -5.4786 -5.4786 -5.1171 -5.1171 -5.0952 -5.0952 -4.9176 -4.9176 -4.5413 -4.5413 -4.4025 -4.4025 -4.2576 -4.2576 -3.9043 -3.9043 -3.7255 -3.7255 -3.3770 -3.3770 -3.2213 -3.2213 -2.9056 -2.9056 -2.8940 -2.8940 -2.7382 -2.7382 -2.5749 -2.5749 -2.3008 -2.3008 -0.3155 -0.3155 2.8240 2.8240 4.8330 4.8330 5.0476 5.0476 5.0988 5.0988 5.1296 5.1296 6.4927 6.4927 k = 0.0000 0.4294-0.0697 ( 8410 PWs) bands (ev): -21.2652 -21.2652 -17.3996 -17.3996 -17.3104 -17.3104 -16.1903 -16.1903 -15.0962 -15.0962 -12.6781 -12.6781 -12.6488 -12.6488 -12.1288 -12.1288 -10.5423 -10.5423 -10.1478 -10.1478 -8.4951 -8.4951 -6.6687 -6.6687 -6.4357 -6.4357 -6.3637 -6.3637 -5.6855 -5.6855 -5.4780 -5.4780 -5.1206 -5.1206 -5.0974 -5.0974 -4.9202 -4.9202 -4.5390 -4.5390 -4.4085 -4.4085 -4.2585 -4.2585 -3.9039 -3.9039 -3.7225 -3.7225 -3.3744 -3.3744 -3.2218 -3.2218 -2.9002 -2.9002 -2.8918 -2.8918 -2.7401 -2.7401 -2.5772 -2.5772 -2.3019 -2.3019 -0.3147 -0.3147 2.8231 2.8231 4.8329 4.8329 5.0446 5.0446 5.0965 5.0965 5.1276 5.1276 6.5386 6.5386 k = 0.0000 0.4459-0.0723 ( 8413 PWs) bands (ev): -21.2652 -21.2652 -17.3995 -17.3995 -17.3104 -17.3104 -16.1907 -16.1907 -15.0959 -15.0959 -12.6780 -12.6780 -12.6491 -12.6491 -12.1296 -12.1296 -10.5407 -10.5407 -10.1481 -10.1481 -8.4949 -8.4949 -6.6683 -6.6683 -6.4326 -6.4326 -6.3660 -6.3660 -5.6842 -5.6842 -5.4776 -5.4776 -5.1226 -5.1226 -5.0988 -5.0988 -4.9218 -4.9218 -4.5375 -4.5375 -4.4122 -4.4122 -4.2590 -4.2590 -3.9036 -3.9036 -3.7207 -3.7207 -3.3728 -3.3728 -3.2220 -3.2220 -2.8968 -2.8968 -2.8906 -2.8906 -2.7412 -2.7412 -2.5787 -2.5787 -2.3026 -2.3026 -0.3142 -0.3142 2.8225 2.8225 4.8328 4.8328 5.0427 5.0427 5.0951 5.0951 5.1265 5.1265 6.5843 6.5843 k = 0.0000 0.4624-0.0750 ( 8412 PWs) bands (ev): -21.2652 -21.2652 -17.3994 -17.3994 -17.3103 -17.3103 -16.1909 -16.1909 -15.0958 -15.0958 -12.6779 -12.6779 -12.6493 -12.6493 -12.1299 -12.1299 -10.5402 -10.5402 -10.1482 -10.1482 -8.4949 -8.4949 -6.6682 -6.6682 -6.4315 -6.4315 -6.3668 -6.3668 -5.6837 -5.6837 -5.4774 -5.4774 -5.1233 -5.1233 -5.0993 -5.0993 -4.9223 -4.9223 -4.5370 -4.5370 -4.4135 -4.4135 -4.2591 -4.2591 -3.9035 -3.9035 -3.7201 -3.7201 -3.3723 -3.3723 -3.2221 -3.2221 -2.8957 -2.8957 -2.8902 -2.8902 -2.7416 -2.7416 -2.5791 -2.5791 -2.3029 -2.3029 -0.3141 -0.3141 2.8223 2.8223 4.8328 4.8328 5.0420 5.0420 5.0947 5.0947 5.1261 5.1261 6.6170 6.6170 k = 0.5000 0.3021-0.1239 ( 8402 PWs) bands (ev): -21.2628 -21.2628 -17.4387 -17.4387 -17.2708 -17.2708 -16.1543 -16.1543 -15.0761 -15.0761 -12.7775 -12.7775 -12.7483 -12.7483 -12.0858 -12.0858 -10.4994 -10.4994 -10.1748 -10.1748 -8.5589 -8.5589 -6.7522 -6.7522 -6.4913 -6.4913 -6.3177 -6.3177 -5.7601 -5.7601 -5.4130 -5.4130 -5.0320 -5.0320 -4.7918 -4.7918 -4.7762 -4.7762 -4.4015 -4.4015 -4.2538 -4.2538 -4.0531 -4.0531 -4.0416 -4.0416 -3.7613 -3.7613 -3.2603 -3.2603 -3.2506 -3.2506 -3.2359 -3.2359 -2.8998 -2.8998 -2.7678 -2.7678 -2.6343 -2.6343 -2.6211 -2.6211 -0.2849 -0.2849 2.8372 2.8372 4.7049 4.7049 5.3863 5.3863 5.4437 5.4437 5.5300 5.5300 6.4633 6.4633 k = 0.4857 0.2934-0.1203 ( 8402 PWs) bands (ev): -21.2628 -21.2628 -17.4387 -17.4387 -17.2708 -17.2708 -16.1543 -16.1543 -15.0762 -15.0762 -12.7773 -12.7773 -12.7481 -12.7481 -12.0857 -12.0857 -10.4998 -10.4998 -10.1747 -10.1747 -8.5588 -8.5588 -6.7522 -6.7522 -6.4915 -6.4915 -6.3176 -6.3176 -5.7602 -5.7602 -5.4134 -5.4134 -5.0317 -5.0317 -4.7945 -4.7945 -4.7734 -4.7734 -4.4028 -4.4028 -4.2535 -4.2535 -4.0544 -4.0544 -4.0395 -4.0395 -3.7614 -3.7614 -3.2614 -3.2614 -3.2508 -3.2508 -3.2356 -3.2356 -2.8990 -2.8990 -2.7685 -2.7685 -2.6363 -2.6363 -2.6179 -2.6179 -0.2850 -0.2850 2.8373 2.8373 4.7050 4.7050 5.3859 5.3859 5.4435 5.4435 5.5297 5.5297 6.4620 6.4620 k = 0.4714 0.2848-0.1168 ( 8406 PWs) bands (ev): -21.2629 -21.2629 -17.4386 -17.4386 -17.2711 -17.2711 -16.1542 -16.1542 -15.0765 -15.0765 -12.7768 -12.7768 -12.7473 -12.7473 -12.0853 -12.0853 -10.5010 -10.5010 -10.1744 -10.1744 -8.5585 -8.5585 -6.7520 -6.7520 -6.4922 -6.4922 -6.3174 -6.3174 -5.7606 -5.7606 -5.4144 -5.4144 -5.0308 -5.0308 -4.8000 -4.8000 -4.7678 -4.7678 -4.4065 -4.4065 -4.2528 -4.2528 -4.0567 -4.0567 -4.0347 -4.0347 -3.7619 -3.7619 -3.2644 -3.2644 -3.2514 -3.2514 -3.2350 -3.2350 -2.8966 -2.8966 -2.7705 -2.7705 -2.6397 -2.6397 -2.6112 -2.6112 -0.2855 -0.2855 2.8377 2.8377 4.7052 4.7052 5.3848 5.3848 5.4431 5.4431 5.5287 5.5287 6.4584 6.4584 k = 0.4571 0.2762-0.1133 ( 8404 PWs) bands (ev): -21.2629 -21.2629 -17.4384 -17.4384 -17.2714 -17.2714 -16.1541 -16.1541 -15.0770 -15.0770 -12.7759 -12.7759 -12.7461 -12.7461 -12.0848 -12.0848 -10.5029 -10.5029 -10.1739 -10.1739 -8.5580 -8.5580 -6.7518 -6.7518 -6.4933 -6.4933 -6.3171 -6.3171 -5.7611 -5.7611 -5.4160 -5.4160 -5.0293 -5.0293 -4.8062 -4.8062 -4.7613 -4.7613 -4.4123 -4.4123 -4.2518 -4.2518 -4.0585 -4.0585 -4.0288 -4.0288 -3.7626 -3.7626 -3.2689 -3.2689 -3.2525 -3.2525 -3.2344 -3.2344 -2.8928 -2.8928 -2.7739 -2.7739 -2.6422 -2.6422 -2.6030 -2.6030 -0.2862 -0.2862 2.8382 2.8382 4.7056 4.7056 5.3829 5.3829 5.4425 5.4425 5.5271 5.5271 6.4522 6.4522 k = 0.4429 0.2675-0.1097 ( 8409 PWs) bands (ev): -21.2630 -21.2630 -17.4381 -17.4381 -17.2720 -17.2720 -16.1539 -16.1539 -15.0778 -15.0778 -12.7747 -12.7747 -12.7444 -12.7444 -12.0840 -12.0840 -10.5056 -10.5056 -10.1733 -10.1733 -8.5574 -8.5574 -6.7515 -6.7515 -6.4948 -6.4948 -6.3168 -6.3168 -5.7619 -5.7619 -5.4182 -5.4182 -5.0273 -5.0273 -4.8125 -4.8125 -4.7546 -4.7546 -4.4199 -4.4199 -4.2509 -4.2509 -4.0593 -4.0593 -4.0222 -4.0222 -3.7636 -3.7636 -3.2745 -3.2745 -3.2540 -3.2540 -3.2342 -3.2342 -2.8875 -2.8875 -2.7787 -2.7787 -2.6432 -2.6432 -2.5939 -2.5939 -0.2873 -0.2873 2.8389 2.8389 4.7061 4.7061 5.3803 5.3803 5.4415 5.4415 5.5250 5.5250 6.4437 6.4437 k = 0.4286 0.2589-0.1062 ( 8411 PWs) bands (ev): -21.2630 -21.2630 -17.4378 -17.4378 -17.2726 -17.2726 -16.1537 -16.1537 -15.0787 -15.0787 -12.7731 -12.7731 -12.7423 -12.7423 -12.0831 -12.0831 -10.5090 -10.5090 -10.1724 -10.1724 -8.5566 -8.5566 -6.7512 -6.7512 -6.4967 -6.4967 -6.3165 -6.3165 -5.7627 -5.7627 -5.4211 -5.4211 -5.0247 -5.0247 -4.8189 -4.8189 -4.7481 -4.7481 -4.4291 -4.4291 -4.2502 -4.2502 -4.0589 -4.0589 -4.0153 -4.0153 -3.7650 -3.7650 -3.2811 -3.2811 -3.2558 -3.2558 -3.2343 -3.2343 -2.8810 -2.8810 -2.7848 -2.7848 -2.6426 -2.6426 -2.5842 -2.5842 -0.2886 -0.2886 2.8398 2.8398 4.7068 4.7068 5.3769 5.3769 5.4402 5.4402 5.5223 5.5223 6.4327 6.4327 k = 0.4143 0.2503-0.1026 ( 8418 PWs) bands (ev): -21.2631 -21.2631 -17.4374 -17.4374 -17.2734 -17.2734 -16.1535 -16.1535 -15.0798 -15.0798 -12.7712 -12.7712 -12.7397 -12.7397 -12.0819 -12.0819 -10.5132 -10.5132 -10.1714 -10.1714 -8.5556 -8.5556 -6.7507 -6.7507 -6.4988 -6.4988 -6.3162 -6.3162 -5.7636 -5.7636 -5.4244 -5.4244 -5.0216 -5.0216 -4.8251 -4.8251 -4.7417 -4.7417 -4.4393 -4.4393 -4.2499 -4.2499 -4.0573 -4.0573 -4.0081 -4.0081 -3.7667 -3.7667 -3.2885 -3.2885 -3.2578 -3.2578 -3.2350 -3.2350 -2.8733 -2.8733 -2.7921 -2.7921 -2.6404 -2.6404 -2.5739 -2.5739 -0.2902 -0.2902 2.8409 2.8409 4.7078 4.7078 5.3728 5.3728 5.4386 5.4386 5.5191 5.5191 6.4195 6.4195 k = 0.4000 0.2417-0.0991 ( 8422 PWs) bands (ev): -21.2632 -21.2632 -17.4370 -17.4370 -17.2744 -17.2744 -16.1532 -16.1532 -15.0810 -15.0810 -12.7690 -12.7690 -12.7366 -12.7366 -12.0805 -12.0805 -10.5180 -10.5180 -10.1703 -10.1703 -8.5545 -8.5545 -6.7501 -6.7501 -6.5013 -6.5013 -6.3160 -6.3160 -5.7646 -5.7646 -5.4281 -5.4281 -5.0181 -5.0181 -4.8312 -4.8312 -4.7356 -4.7356 -4.4503 -4.4503 -4.2502 -4.2502 -4.0546 -4.0546 -4.0008 -4.0008 -3.7690 -3.7690 -3.2967 -3.2967 -3.2599 -3.2599 -3.2362 -3.2362 -2.8648 -2.8648 -2.8004 -2.8004 -2.6368 -2.6368 -2.5630 -2.5630 -0.2920 -0.2920 2.8421 2.8421 4.7090 4.7090 5.3678 5.3678 5.4365 5.4365 5.5156 5.5156 6.4040 6.4040 k = 0.3857 0.2330-0.0956 ( 8424 PWs) bands (ev): -21.2633 -21.2633 -17.4365 -17.4365 -17.2755 -17.2755 -16.1529 -16.1529 -15.0825 -15.0825 -12.7666 -12.7666 -12.7332 -12.7332 -12.0790 -12.0790 -10.5234 -10.5234 -10.1690 -10.1690 -8.5532 -8.5532 -6.7494 -6.7494 -6.5039 -6.5039 -6.3160 -6.3160 -5.7655 -5.7655 -5.4323 -5.4323 -5.0142 -5.0142 -4.8372 -4.8372 -4.7300 -4.7300 -4.4617 -4.4617 -4.2512 -4.2512 -4.0508 -4.0508 -3.9935 -3.9935 -3.7717 -3.7717 -3.3055 -3.3055 -3.2620 -3.2620 -3.2378 -3.2378 -2.8558 -2.8558 -2.8092 -2.8092 -2.6319 -2.6319 -2.5516 -2.5516 -0.2941 -0.2941 2.8434 2.8434 4.7104 4.7104 5.3621 5.3621 5.4340 5.4340 5.5118 5.5118 6.3865 6.3865 k = 0.3714 0.2244-0.0920 ( 8419 PWs) bands (ev): -21.2634 -21.2634 -17.4358 -17.4358 -17.2767 -17.2767 -16.1526 -16.1526 -15.0841 -15.0841 -12.7638 -12.7638 -12.7294 -12.7294 -12.0773 -12.0773 -10.5295 -10.5295 -10.1675 -10.1675 -8.5517 -8.5517 -6.7487 -6.7487 -6.5067 -6.5067 -6.3162 -6.3162 -5.7663 -5.7663 -5.4367 -5.4367 -5.0100 -5.0100 -4.8430 -4.8430 -4.7248 -4.7248 -4.4734 -4.4734 -4.2526 -4.2526 -4.0460 -4.0460 -3.9863 -3.9863 -3.7750 -3.7750 -3.3148 -3.3148 -3.2642 -3.2642 -3.2396 -3.2396 -2.8474 -2.8474 -2.8174 -2.8174 -2.6261 -2.6261 -2.5395 -2.5395 -0.2965 -0.2965 2.8449 2.8449 4.7122 4.7122 5.3557 5.3557 5.4310 5.4310 5.5078 5.5078 6.3671 6.3671 k = 0.3571 0.2158-0.0885 ( 8416 PWs) bands (ev): -21.2635 -21.2635 -17.4352 -17.4352 -17.2780 -17.2780 -16.1522 -16.1522 -15.0859 -15.0859 -12.7607 -12.7607 -12.7252 -12.7252 -12.0755 -12.0755 -10.5362 -10.5362 -10.1660 -10.1660 -8.5502 -8.5502 -6.7478 -6.7478 -6.5096 -6.5096 -6.3167 -6.3167 -5.7669 -5.7669 -5.4413 -5.4413 -5.0056 -5.0056 -4.8488 -4.8488 -4.7202 -4.7202 -4.4850 -4.4850 -4.2546 -4.2546 -4.0406 -4.0406 -3.9793 -3.9793 -3.7789 -3.7789 -3.3247 -3.3247 -3.2664 -3.2664 -3.2415 -3.2415 -2.8438 -2.8438 -2.8209 -2.8209 -2.6195 -2.6195 -2.5268 -2.5268 -0.2990 -0.2990 2.8465 2.8465 4.7143 4.7143 5.3484 5.3484 5.4275 5.4275 5.5036 5.5036 6.3459 6.3459 k = 0.3429 0.2071-0.0849 ( 8415 PWs) bands (ev): -21.2636 -21.2636 -17.4344 -17.4344 -17.2795 -17.2795 -16.1518 -16.1518 -15.0877 -15.0877 -12.7574 -12.7574 -12.7208 -12.7208 -12.0735 -12.0735 -10.5433 -10.5433 -10.1643 -10.1643 -8.5485 -8.5485 -6.7469 -6.7469 -6.5126 -6.5126 -6.3175 -6.3175 -5.7673 -5.7673 -5.4461 -5.4461 -5.0010 -5.0010 -4.8544 -4.8544 -4.7161 -4.7161 -4.4963 -4.4963 -4.2569 -4.2569 -4.0345 -4.0345 -3.9725 -3.9725 -3.7835 -3.7835 -3.3351 -3.3351 -3.2688 -3.2688 -3.2431 -3.2431 -2.8497 -2.8497 -2.8150 -2.8150 -2.6124 -2.6124 -2.5133 -2.5133 -0.3018 -0.3018 2.8481 2.8481 4.7168 4.7168 5.3403 5.3403 5.4235 5.4235 5.4994 5.4994 6.3233 6.3233 k = 0.3286 0.1985-0.0814 ( 8424 PWs) bands (ev): -21.2638 -21.2638 -17.4336 -17.4336 -17.2810 -17.2810 -16.1513 -16.1513 -15.0897 -15.0897 -12.7539 -12.7539 -12.7160 -12.7160 -12.0714 -12.0714 -10.5509 -10.5509 -10.1625 -10.1625 -8.5468 -8.5468 -6.7458 -6.7458 -6.5155 -6.5155 -6.3186 -6.3186 -5.7675 -5.7675 -5.4510 -5.4510 -4.9964 -4.9964 -4.8600 -4.8600 -4.7127 -4.7127 -4.5073 -4.5073 -4.2596 -4.2596 -4.0281 -4.0281 -3.9660 -3.9660 -3.7887 -3.7887 -3.3458 -3.3458 -3.2714 -3.2714 -3.2443 -3.2443 -2.8600 -2.8600 -2.8048 -2.8048 -2.6050 -2.6050 -2.4991 -2.4991 -0.3047 -0.3047 2.8497 2.8497 4.7197 4.7197 5.3315 5.3315 5.4190 5.4190 5.4952 5.4952 6.2994 6.2994 k = 0.3143 0.1899-0.0779 ( 8426 PWs) bands (ev): -21.2639 -21.2639 -17.4327 -17.4327 -17.2827 -17.2827 -16.1508 -16.1508 -15.0918 -15.0918 -12.7502 -12.7502 -12.7110 -12.7110 -12.0692 -12.0692 -10.5590 -10.5590 -10.1607 -10.1607 -8.5450 -8.5450 -6.7446 -6.7446 -6.5185 -6.5185 -6.3202 -6.3202 -5.7673 -5.7673 -5.4559 -5.4559 -4.9918 -4.9918 -4.8654 -4.8654 -4.7099 -4.7099 -4.5176 -4.5176 -4.2624 -4.2624 -4.0214 -4.0214 -3.9598 -3.9598 -3.7946 -3.7946 -3.3569 -3.3569 -3.2743 -3.2743 -3.2448 -3.2448 -2.8716 -2.8716 -2.7934 -2.7934 -2.5976 -2.5976 -2.4841 -2.4841 -0.3078 -0.3078 2.8514 2.8514 4.7230 4.7230 5.3219 5.3219 5.4140 5.4140 5.4911 5.4911 6.2746 6.2746 k = 0.3000 0.1812-0.0743 ( 8426 PWs) bands (ev): -21.2641 -21.2641 -17.4318 -17.4318 -17.2845 -17.2845 -16.1503 -16.1503 -15.0940 -15.0940 -12.7463 -12.7463 -12.7058 -12.7058 -12.0668 -12.0668 -10.5674 -10.5674 -10.1588 -10.1588 -8.5431 -8.5431 -6.7433 -6.7433 -6.5213 -6.5213 -6.3221 -6.3221 -5.7668 -5.7668 -5.4608 -5.4608 -4.9875 -4.9875 -4.8708 -4.8708 -4.7075 -4.7075 -4.5273 -4.5273 -4.2654 -4.2654 -4.0146 -4.0146 -3.9539 -3.9539 -3.8013 -3.8013 -3.3682 -3.3682 -3.2777 -3.2777 -3.2444 -3.2444 -2.8837 -2.8837 -2.7815 -2.7815 -2.5902 -2.5902 -2.4684 -2.4684 -0.3110 -0.3110 2.8531 2.8531 4.7268 4.7268 5.3115 5.3115 5.4086 5.4086 5.4870 5.4870 6.2490 6.2490 k = 0.2857 0.1726-0.0708 ( 8416 PWs) bands (ev): -21.2642 -21.2642 -17.4308 -17.4308 -17.2864 -17.2864 -16.1498 -16.1498 -15.0963 -15.0963 -12.7422 -12.7422 -12.7004 -12.7004 -12.0645 -12.0645 -10.5760 -10.5760 -10.1569 -10.1569 -8.5411 -8.5411 -6.7419 -6.7419 -6.5241 -6.5241 -6.3244 -6.3244 -5.7659 -5.7659 -5.4657 -5.4657 -4.9834 -4.9834 -4.8761 -4.8761 -4.7055 -4.7055 -4.5363 -4.5363 -4.2684 -4.2684 -4.0079 -4.0079 -3.9483 -3.9483 -3.8085 -3.8085 -3.3797 -3.3797 -3.2814 -3.2814 -3.2431 -3.2431 -2.8960 -2.8960 -2.7696 -2.7696 -2.5831 -2.5831 -2.4520 -2.4520 -0.3143 -0.3143 2.8547 2.8547 4.7311 4.7311 5.3005 5.3005 5.4030 5.4030 5.4831 5.4831 6.2231 6.2231 k = 0.2714 0.1640-0.0672 ( 8422 PWs) bands (ev): -21.2644 -21.2644 -17.4297 -17.4297 -17.2883 -17.2883 -16.1493 -16.1493 -15.0986 -15.0986 -12.7381 -12.7381 -12.6949 -12.6949 -12.0620 -12.0620 -10.5850 -10.5850 -10.1549 -10.1549 -8.5392 -8.5392 -6.7404 -6.7404 -6.5268 -6.5268 -6.3270 -6.3270 -5.7647 -5.7647 -5.4705 -5.4705 -4.9798 -4.9798 -4.8813 -4.8813 -4.7038 -4.7038 -4.5446 -4.5446 -4.2714 -4.2714 -4.0014 -4.0014 -3.9431 -3.9431 -3.8164 -3.8164 -3.3912 -3.3912 -3.2853 -3.2853 -3.2409 -3.2409 -2.9083 -2.9083 -2.7576 -2.7576 -2.5762 -2.5762 -2.4350 -2.4350 -0.3177 -0.3177 2.8563 2.8563 4.7359 4.7359 5.2888 5.2888 5.3971 5.3971 5.4791 5.4791 6.1969 6.1969 k = 0.2571 0.1553-0.0637 ( 8424 PWs) bands (ev): -21.2646 -21.2646 -17.4286 -17.4286 -17.2903 -17.2903 -16.1487 -16.1487 -15.1009 -15.1009 -12.7338 -12.7338 -12.6894 -12.6894 -12.0595 -12.0595 -10.5940 -10.5940 -10.1529 -10.1529 -8.5372 -8.5372 -6.7388 -6.7388 -6.5293 -6.5293 -6.3301 -6.3301 -5.7631 -5.7631 -5.4751 -5.4751 -4.9768 -4.9768 -4.8865 -4.8865 -4.7021 -4.7021 -4.5521 -4.5521 -4.2743 -4.2743 -3.9953 -3.9953 -3.9383 -3.9383 -3.8249 -3.8249 -3.4028 -3.4028 -3.2895 -3.2895 -3.2379 -3.2379 -2.9207 -2.9207 -2.7459 -2.7459 -2.5697 -2.5697 -2.4176 -2.4176 -0.3211 -0.3211 2.8578 2.8578 4.7412 4.7412 5.2765 5.2765 5.3911 5.3911 5.4753 5.4753 6.1707 6.1707 k = 0.2429 0.1467-0.0602 ( 8427 PWs) bands (ev): -21.2647 -21.2647 -17.4274 -17.4274 -17.2924 -17.2924 -16.1482 -16.1482 -15.1033 -15.1033 -12.7295 -12.7295 -12.6838 -12.6838 -12.0570 -12.0570 -10.6032 -10.6032 -10.1509 -10.1509 -8.5352 -8.5352 -6.7370 -6.7370 -6.5317 -6.5317 -6.3335 -6.3335 -5.7611 -5.7611 -5.4796 -5.4796 -4.9744 -4.9744 -4.8916 -4.8916 -4.7001 -4.7001 -4.5590 -4.5590 -4.2771 -4.2771 -3.9897 -3.9897 -3.9337 -3.9337 -3.8338 -3.8338 -3.4143 -3.4143 -3.2937 -3.2937 -3.2341 -3.2341 -2.9328 -2.9328 -2.7344 -2.7344 -2.5635 -2.5635 -2.3998 -2.3998 -0.3246 -0.3246 2.8593 2.8593 4.7470 4.7470 5.2637 5.2637 5.3850 5.3850 5.4715 5.4715 6.1448 6.1448 k = 0.2286 0.1381-0.0566 ( 8427 PWs) bands (ev): -21.2649 -21.2649 -17.4262 -17.4262 -17.2945 -17.2945 -16.1476 -16.1476 -15.1056 -15.1056 -12.7252 -12.7252 -12.6782 -12.6782 -12.0545 -12.0545 -10.6124 -10.6124 -10.1490 -10.1490 -8.5333 -8.5333 -6.7352 -6.7352 -6.5339 -6.5339 -6.3371 -6.3371 -5.7587 -5.7587 -5.4840 -5.4840 -4.9727 -4.9727 -4.8966 -4.8966 -4.6977 -4.6977 -4.5654 -4.5654 -4.2798 -4.2798 -3.9847 -3.9847 -3.9295 -3.9295 -3.8431 -3.8431 -3.4256 -3.4256 -3.2979 -3.2979 -3.2297 -3.2297 -2.9448 -2.9448 -2.7232 -2.7232 -2.5578 -2.5578 -2.3819 -2.3819 -0.3281 -0.3281 2.8606 2.8606 4.7533 4.7533 5.2504 5.2504 5.3789 5.3789 5.4678 5.4678 6.1193 6.1193 k = 0.2143 0.1295-0.0531 ( 8422 PWs) bands (ev): -21.2650 -21.2650 -17.4249 -17.4249 -17.2967 -17.2967 -16.1470 -16.1470 -15.1079 -15.1079 -12.7208 -12.7208 -12.6727 -12.6727 -12.0520 -12.0520 -10.6216 -10.6216 -10.1470 -10.1470 -8.5314 -8.5314 -6.7332 -6.7332 -6.5359 -6.5359 -6.3410 -6.3410 -5.7559 -5.7559 -5.4883 -5.4883 -4.9718 -4.9718 -4.9016 -4.9016 -4.6947 -4.6947 -4.5713 -4.5713 -4.2823 -4.2823 -3.9805 -3.9805 -3.9256 -3.9256 -3.8525 -3.8525 -3.4366 -3.4366 -3.3019 -3.3019 -3.2247 -3.2247 -2.9565 -2.9565 -2.7124 -2.7124 -2.5525 -2.5525 -2.3641 -2.3641 -0.3315 -0.3315 2.8619 2.8619 4.7601 4.7601 5.2368 5.2368 5.3729 5.3729 5.4641 5.4641 6.0946 6.0946 k = 0.2000 0.1208-0.0495 ( 8424 PWs) bands (ev): -21.2652 -21.2652 -17.4236 -17.4236 -17.2988 -17.2988 -16.1465 -16.1465 -15.1102 -15.1102 -12.7166 -12.7166 -12.6674 -12.6674 -12.0495 -12.0495 -10.6306 -10.6306 -10.1451 -10.1451 -8.5296 -8.5296 -6.7312 -6.7312 -6.5378 -6.5378 -6.3452 -6.3452 -5.7529 -5.7529 -5.4924 -5.4924 -4.9717 -4.9717 -4.9064 -4.9064 -4.6910 -4.6910 -4.5768 -4.5768 -4.2846 -4.2846 -3.9772 -3.9772 -3.9219 -3.9219 -3.8620 -3.8620 -3.4474 -3.4474 -3.3058 -3.3058 -3.2193 -3.2193 -2.9678 -2.9678 -2.7020 -2.7020 -2.5476 -2.5476 -2.3464 -2.3464 -0.3349 -0.3349 2.8631 2.8631 4.7675 4.7675 5.2229 5.2229 5.3671 5.3671 5.4605 5.4605 6.0706 6.0706 k = 0.1857 0.1122-0.0460 ( 8426 PWs) bands (ev): -21.2654 -21.2654 -17.4223 -17.4223 -17.3010 -17.3010 -16.1459 -16.1459 -15.1124 -15.1124 -12.7124 -12.7124 -12.6621 -12.6621 -12.0470 -12.0470 -10.6395 -10.6395 -10.1433 -10.1433 -8.5278 -8.5278 -6.7290 -6.7290 -6.5395 -6.5395 -6.3494 -6.3494 -5.7495 -5.7495 -5.4964 -5.4964 -4.9724 -4.9724 -4.9111 -4.9111 -4.6864 -4.6864 -4.5820 -4.5820 -4.2868 -4.2868 -3.9750 -3.9750 -3.9183 -3.9183 -3.8713 -3.8713 -3.4578 -3.4578 -3.3095 -3.3095 -3.2135 -3.2135 -2.9787 -2.9787 -2.6920 -2.6920 -2.5431 -2.5431 -2.3291 -2.3291 -0.3382 -0.3382 2.8641 2.8641 4.7752 4.7752 5.2089 5.2089 5.3615 5.3615 5.4570 5.4570 6.0477 6.0477 k = 0.1714 0.1036-0.0425 ( 8426 PWs) bands (ev): -21.2655 -21.2655 -17.4210 -17.4210 -17.3031 -17.3031 -16.1454 -16.1454 -15.1145 -15.1145 -12.7084 -12.7084 -12.6571 -12.6571 -12.0446 -12.0446 -10.6481 -10.6481 -10.1415 -10.1415 -8.5261 -8.5261 -6.7269 -6.7269 -6.5411 -6.5411 -6.3538 -6.3538 -5.7459 -5.7459 -5.5003 -5.5003 -4.9737 -4.9737 -4.9157 -4.9157 -4.6811 -4.6811 -4.5870 -4.5870 -4.2887 -4.2887 -3.9739 -3.9739 -3.9150 -3.9150 -3.8801 -3.8801 -3.4677 -3.4677 -3.3130 -3.3130 -3.2074 -3.2074 -2.9892 -2.9892 -2.6826 -2.6826 -2.5392 -2.5392 -2.3123 -2.3123 -0.3414 -0.3414 2.8651 2.8651 4.7833 4.7833 5.1948 5.1948 5.3561 5.3561 5.4535 5.4535 6.0258 6.0258 k = 0.1571 0.0949-0.0389 ( 8421 PWs) bands (ev): -21.2656 -21.2656 -17.4197 -17.4197 -17.3052 -17.3052 -16.1449 -16.1449 -15.1165 -15.1165 -12.7044 -12.7044 -12.6523 -12.6523 -12.0423 -12.0423 -10.6563 -10.6563 -10.1398 -10.1398 -8.5245 -8.5245 -6.7247 -6.7247 -6.5424 -6.5424 -6.3581 -6.3581 -5.7422 -5.7422 -5.5041 -5.5041 -4.9756 -4.9756 -4.9201 -4.9201 -4.6750 -4.6750 -4.5917 -4.5917 -4.2905 -4.2905 -3.9742 -3.9742 -3.9119 -3.9119 -3.8883 -3.8883 -3.4770 -3.4770 -3.3162 -3.3162 -3.2012 -3.2012 -2.9992 -2.9992 -2.6737 -2.6737 -2.5356 -2.5356 -2.2961 -2.2961 -0.3444 -0.3444 2.8659 2.8659 4.7918 4.7918 5.1808 5.1808 5.3510 5.3510 5.4502 5.4502 6.0053 6.0053 k = 0.1429 0.0863-0.0354 ( 8414 PWs) bands (ev): -21.2658 -21.2658 -17.4184 -17.4184 -17.3073 -17.3073 -16.1444 -16.1444 -15.1184 -15.1184 -12.7007 -12.7007 -12.6478 -12.6478 -12.0401 -12.0401 -10.6641 -10.6641 -10.1382 -10.1382 -8.5230 -8.5230 -6.7225 -6.7225 -6.5437 -6.5437 -6.3624 -6.3624 -5.7382 -5.7382 -5.5077 -5.5077 -4.9779 -4.9779 -4.9243 -4.9243 -4.6683 -4.6683 -4.5962 -4.5962 -4.2920 -4.2920 -3.9758 -3.9758 -3.9091 -3.9091 -3.8954 -3.8954 -3.4858 -3.4858 -3.3191 -3.3191 -3.1949 -3.1949 -3.0086 -3.0086 -2.6654 -2.6654 -2.5325 -2.5325 -2.2809 -2.2809 -0.3473 -0.3473 2.8667 2.8667 4.8005 4.8005 5.1669 5.1669 5.3462 5.3462 5.4470 5.4470 5.9861 5.9861 k = 0.1286 0.0777-0.0319 ( 8412 PWs) bands (ev): -21.2659 -21.2659 -17.4171 -17.4171 -17.3092 -17.3092 -16.1439 -16.1439 -15.1202 -15.1202 -12.6973 -12.6973 -12.6436 -12.6436 -12.0380 -12.0380 -10.6715 -10.6715 -10.1367 -10.1367 -8.5217 -8.5217 -6.7203 -6.7203 -6.5447 -6.5447 -6.3666 -6.3666 -5.7342 -5.7342 -5.5112 -5.5112 -4.9805 -4.9805 -4.9282 -4.9282 -4.6612 -4.6612 -4.6004 -4.6004 -4.2934 -4.2934 -3.9787 -3.9787 -3.9071 -3.9071 -3.9009 -3.9009 -3.4940 -3.4940 -3.3217 -3.3217 -3.1887 -3.1887 -3.0175 -3.0175 -2.6576 -2.6576 -2.5298 -2.5298 -2.2666 -2.2666 -0.3500 -0.3500 2.8673 2.8673 4.8093 4.8093 5.1534 5.1534 5.3418 5.3418 5.4440 5.4440 5.9685 5.9685 k = 0.1143 0.0690-0.0283 ( 8406 PWs) bands (ev): -21.2660 -21.2660 -17.4159 -17.4159 -17.3110 -17.3110 -16.1435 -16.1435 -15.1218 -15.1218 -12.6940 -12.6940 -12.6398 -12.6398 -12.0361 -12.0361 -10.6782 -10.6782 -10.1353 -10.1353 -8.5204 -8.5204 -6.7182 -6.7182 -6.5457 -6.5457 -6.3706 -6.3706 -5.7303 -5.7303 -5.5145 -5.5145 -4.9831 -4.9831 -4.9320 -4.9320 -4.6539 -4.6539 -4.6043 -4.6043 -4.2946 -4.2946 -3.9828 -3.9828 -3.9086 -3.9086 -3.9019 -3.9019 -3.5014 -3.5014 -3.3240 -3.3240 -3.1825 -3.1825 -3.0258 -3.0258 -2.6505 -2.6505 -2.5275 -2.5275 -2.2534 -2.2534 -0.3525 -0.3525 2.8678 2.8678 4.8182 4.8182 5.1404 5.1404 5.3378 5.3378 5.4413 5.4413 5.9524 5.9524 k = 0.1000 0.0604-0.0248 ( 8405 PWs) bands (ev): -21.2661 -21.2661 -17.4147 -17.4147 -17.3127 -17.3127 -16.1431 -16.1431 -15.1233 -15.1233 -12.6911 -12.6911 -12.6363 -12.6363 -12.0344 -12.0344 -10.6844 -10.6844 -10.1341 -10.1341 -8.5193 -8.5193 -6.7162 -6.7162 -6.5465 -6.5465 -6.3743 -6.3743 -5.7264 -5.7264 -5.5176 -5.5176 -4.9858 -4.9858 -4.9353 -4.9353 -4.6467 -4.6467 -4.6078 -4.6078 -4.2956 -4.2956 -3.9876 -3.9876 -3.9121 -3.9121 -3.9002 -3.9002 -3.5080 -3.5080 -3.3260 -3.3260 -3.1766 -3.1766 -3.0334 -3.0334 -2.6441 -2.6441 -2.5256 -2.5256 -2.2414 -2.2414 -0.3548 -0.3548 2.8683 2.8683 4.8269 4.8269 5.1279 5.1279 5.3342 5.3342 5.4387 5.4387 5.9380 5.9380 k = 0.0857 0.0518-0.0212 ( 8411 PWs) bands (ev): -21.2662 -21.2662 -17.4137 -17.4137 -17.3143 -17.3143 -16.1427 -16.1427 -15.1246 -15.1246 -12.6885 -12.6885 -12.6333 -12.6333 -12.0328 -12.0328 -10.6898 -10.6898 -10.1330 -10.1330 -8.5183 -8.5183 -6.7144 -6.7144 -6.5471 -6.5471 -6.3777 -6.3777 -5.7228 -5.7228 -5.5205 -5.5205 -4.9884 -4.9884 -4.9384 -4.9384 -4.6400 -4.6400 -4.6108 -4.6108 -4.2964 -4.2964 -3.9929 -3.9929 -3.9152 -3.9152 -3.8982 -3.8982 -3.5139 -3.5139 -3.3277 -3.3277 -3.1711 -3.1711 -3.0403 -3.0403 -2.6384 -2.6384 -2.5241 -2.5241 -2.2308 -2.2308 -0.3568 -0.3568 2.8687 2.8687 4.8353 4.8353 5.1163 5.1163 5.3311 5.3311 5.4365 5.4365 5.9254 5.9254 k = 0.0714 0.0432-0.0177 ( 8402 PWs) bands (ev): -21.2663 -21.2663 -17.4128 -17.4128 -17.3156 -17.3156 -16.1425 -16.1425 -15.1257 -15.1257 -12.6863 -12.6863 -12.6307 -12.6307 -12.0314 -12.0314 -10.6946 -10.6946 -10.1321 -10.1321 -8.5175 -8.5175 -6.7128 -6.7128 -6.5477 -6.5477 -6.3807 -6.3807 -5.7194 -5.7194 -5.5231 -5.5231 -4.9908 -4.9908 -4.9410 -4.9410 -4.6342 -4.6342 -4.6130 -4.6130 -4.2972 -4.2972 -3.9982 -3.9982 -3.9176 -3.9176 -3.8964 -3.8964 -3.5189 -3.5189 -3.3291 -3.3291 -3.1660 -3.1660 -3.0465 -3.0465 -2.6335 -2.6335 -2.5229 -2.5229 -2.2217 -2.2217 -0.3585 -0.3585 2.8690 2.8690 4.8432 4.8432 5.1057 5.1057 5.3284 5.3284 5.4345 5.4345 5.9146 5.9146 k = 0.0571 0.0345-0.0142 ( 8393 PWs) bands (ev): -21.2663 -21.2663 -17.4120 -17.4120 -17.3168 -17.3168 -16.1422 -16.1422 -15.1267 -15.1267 -12.6844 -12.6844 -12.6285 -12.6285 -12.0303 -12.0303 -10.6985 -10.6985 -10.1313 -10.1313 -8.5168 -8.5168 -6.7114 -6.7114 -6.5481 -6.5481 -6.3833 -6.3833 -5.7165 -5.7165 -5.5254 -5.5254 -4.9928 -4.9928 -4.9433 -4.9433 -4.6297 -4.6297 -4.6142 -4.6142 -4.2977 -4.2977 -4.0031 -4.0031 -3.9195 -3.9195 -3.8949 -3.8949 -3.5231 -3.5231 -3.3303 -3.3303 -3.1615 -3.1615 -3.0518 -3.0518 -2.6293 -2.6293 -2.5221 -2.5221 -2.2141 -2.2141 -0.3599 -0.3599 2.8692 2.8692 4.8503 4.8503 5.0964 5.0964 5.3261 5.3261 5.4329 5.4329 5.9057 5.9057 k = 0.0429 0.0259-0.0106 ( 8395 PWs) bands (ev): -21.2664 -21.2664 -17.4113 -17.4113 -17.3177 -17.3177 -16.1420 -16.1420 -15.1274 -15.1274 -12.6829 -12.6829 -12.6268 -12.6268 -12.0294 -12.0294 -10.7016 -10.7016 -10.1307 -10.1307 -8.5162 -8.5162 -6.7102 -6.7102 -6.5484 -6.5484 -6.3853 -6.3853 -5.7141 -5.7141 -5.5272 -5.5272 -4.9945 -4.9945 -4.9450 -4.9450 -4.6272 -4.6272 -4.6140 -4.6140 -4.2981 -4.2981 -4.0073 -4.0073 -3.9208 -3.9208 -3.8938 -3.8938 -3.5263 -3.5263 -3.3312 -3.3312 -3.1578 -3.1578 -3.0561 -3.0561 -2.6260 -2.6260 -2.5214 -2.5214 -2.2081 -2.2081 -0.3611 -0.3611 2.8694 2.8694 4.8563 4.8563 5.0887 5.0887 5.3244 5.3244 5.4316 5.4316 5.8987 5.8987 k = 0.0286 0.0173-0.0071 ( 8395 PWs) bands (ev): -21.2664 -21.2664 -17.4109 -17.4109 -17.3184 -17.3184 -16.1419 -16.1419 -15.1279 -15.1279 -12.6818 -12.6818 -12.6256 -12.6256 -12.0287 -12.0287 -10.7038 -10.7038 -10.1302 -10.1302 -8.5159 -8.5159 -6.7094 -6.7094 -6.5486 -6.5486 -6.3869 -6.3869 -5.7123 -5.7123 -5.5285 -5.5285 -4.9957 -4.9957 -4.9463 -4.9463 -4.6264 -4.6264 -4.6127 -4.6127 -4.2984 -4.2984 -4.0105 -4.0105 -3.9217 -3.9217 -3.8929 -3.8929 -3.5286 -3.5286 -3.3318 -3.3318 -3.1550 -3.1550 -3.0593 -3.0593 -2.6236 -2.6236 -2.5210 -2.5210 -2.2038 -2.2038 -0.3619 -0.3619 2.8695 2.8695 4.8608 4.8608 5.0830 5.0830 5.3231 5.3231 5.4306 5.4306 5.8937 5.8937 k = 0.0143 0.0086-0.0035 ( 8397 PWs) bands (ev): -21.2664 -21.2664 -17.4106 -17.4106 -17.3188 -17.3188 -16.1418 -16.1418 -15.1282 -15.1282 -12.6812 -12.6812 -12.6249 -12.6249 -12.0283 -12.0283 -10.7052 -10.7052 -10.1300 -10.1300 -8.5156 -8.5156 -6.7089 -6.7089 -6.5488 -6.5488 -6.3878 -6.3878 -5.7112 -5.7112 -5.5294 -5.5294 -4.9964 -4.9964 -4.9471 -4.9471 -4.6263 -4.6263 -4.6115 -4.6115 -4.2986 -4.2986 -4.0124 -4.0124 -3.9223 -3.9223 -3.8924 -3.8924 -3.5301 -3.5301 -3.3322 -3.3322 -3.1532 -3.1532 -3.0613 -3.0613 -2.6222 -2.6222 -2.5208 -2.5208 -2.2012 -2.2012 -0.3624 -0.3624 2.8696 2.8696 4.8637 4.8637 5.0794 5.0794 5.3224 5.3224 5.4300 5.4300 5.8907 5.8907 k = 0.0000 0.0000 0.0000 ( 8389 PWs) bands (ev): -21.2664 -21.2664 -17.4105 -17.4105 -17.3189 -17.3189 -16.1418 -16.1418 -15.1283 -15.1283 -12.6809 -12.6809 -12.6246 -12.6246 -12.0282 -12.0282 -10.7056 -10.7056 -10.1299 -10.1299 -8.5155 -8.5155 -6.7087 -6.7087 -6.5488 -6.5488 -6.3881 -6.3881 -5.7109 -5.7109 -5.5297 -5.5297 -4.9967 -4.9967 -4.9473 -4.9473 -4.6263 -4.6263 -4.6110 -4.6110 -4.2987 -4.2987 -4.0131 -4.0131 -3.9225 -3.9225 -3.8922 -3.8922 -3.5305 -3.5305 -3.3323 -3.3323 -3.1526 -3.1526 -3.0620 -3.0620 -2.6217 -2.6217 -2.5207 -2.5207 -2.2003 -2.2003 -0.3625 -0.3625 2.8696 2.8696 4.8647 4.8647 5.0781 5.0781 5.3221 5.3221 5.4299 5.4299 5.8897 5.8897 k = 0.0000 0.0000 0.0000 ( 8389 PWs) bands (ev): -21.2664 -21.2664 -17.4105 -17.4105 -17.3189 -17.3189 -16.1418 -16.1418 -15.1283 -15.1283 -12.6809 -12.6809 -12.6246 -12.6246 -12.0282 -12.0282 -10.7056 -10.7056 -10.1299 -10.1299 -8.5155 -8.5155 -6.7087 -6.7087 -6.5488 -6.5488 -6.3881 -6.3881 -5.7109 -5.7109 -5.5297 -5.5297 -4.9967 -4.9967 -4.9473 -4.9473 -4.6263 -4.6263 -4.6110 -4.6110 -4.2987 -4.2987 -4.0131 -4.0131 -3.9225 -3.9225 -3.8922 -3.8922 -3.5305 -3.5305 -3.3323 -3.3323 -3.1526 -3.1526 -3.0620 -3.0620 -2.6217 -2.6217 -2.5207 -2.5207 -2.2003 -2.2003 -0.3625 -0.3625 2.8696 2.8696 4.8647 4.8647 5.0781 5.0781 5.3221 5.3221 5.4299 5.4299 5.8897 5.8897 k = 0.0000 0.0000 0.0165 ( 8391 PWs) bands (ev): -21.2664 -21.2664 -17.4108 -17.4108 -17.3186 -17.3186 -16.1418 -16.1418 -15.1281 -15.1281 -12.6810 -12.6810 -12.6247 -12.6247 -12.0288 -12.0288 -10.7050 -10.7050 -10.1298 -10.1298 -8.5153 -8.5153 -6.7090 -6.7090 -6.5488 -6.5488 -6.3874 -6.3874 -5.7114 -5.7114 -5.5300 -5.5300 -4.9970 -4.9970 -4.9475 -4.9475 -4.6270 -4.6270 -4.6110 -4.6110 -4.2984 -4.2984 -4.0124 -4.0124 -3.9224 -3.9224 -3.8924 -3.8924 -3.5304 -3.5304 -3.3322 -3.3322 -3.1537 -3.1537 -3.0604 -3.0604 -2.6215 -2.6215 -2.5210 -2.5210 -2.2007 -2.2007 -0.3625 -0.3625 2.8694 2.8694 4.8613 4.8613 5.0813 5.0813 5.3227 5.3227 5.4297 5.4297 5.8907 5.8907 k = 0.0000 0.0000 0.0331 ( 8399 PWs) bands (ev): -21.2664 -21.2664 -17.4117 -17.4117 -17.3178 -17.3178 -16.1420 -16.1420 -15.1274 -15.1274 -12.6812 -12.6812 -12.6248 -12.6248 -12.0307 -12.0307 -10.7031 -10.7031 -10.1297 -10.1297 -8.5148 -8.5148 -6.7101 -6.7101 -6.5486 -6.5486 -6.3853 -6.3853 -5.7131 -5.7131 -5.5309 -5.5309 -4.9980 -4.9980 -4.9478 -4.9478 -4.6293 -4.6293 -4.6106 -4.6106 -4.2974 -4.2974 -4.0102 -4.0102 -3.9223 -3.9223 -3.8929 -3.8929 -3.5299 -3.5299 -3.3317 -3.3317 -3.1568 -3.1568 -3.0557 -3.0557 -2.6210 -2.6210 -2.5218 -2.5218 -2.2019 -2.2019 -0.3624 -0.3624 2.8688 2.8688 4.8516 4.8516 5.0901 5.0901 5.3246 5.3246 5.4290 5.4290 5.8938 5.8938 k = 0.0000 0.0000 0.0496 ( 8403 PWs) bands (ev): -21.2664 -21.2664 -17.4131 -17.4131 -17.3164 -17.3164 -16.1423 -16.1423 -15.1262 -15.1262 -12.6816 -12.6816 -12.6251 -12.6251 -12.0337 -12.0337 -10.7000 -10.7000 -10.1295 -10.1295 -8.5138 -8.5138 -6.7117 -6.7117 -6.5481 -6.5481 -6.3820 -6.3820 -5.7158 -5.7158 -5.5324 -5.5324 -4.9997 -4.9997 -4.9484 -4.9484 -4.6338 -4.6338 -4.6091 -4.6091 -4.2958 -4.2958 -4.0067 -4.0067 -3.9221 -3.9221 -3.8937 -3.8937 -3.5292 -3.5292 -3.3310 -3.3310 -3.1614 -3.1614 -3.0487 -3.0487 -2.6202 -2.6202 -2.5231 -2.5231 -2.2037 -2.2037 -0.3623 -0.3623 2.8677 2.8677 4.8373 4.8373 5.1030 5.1030 5.3278 5.3278 5.4281 5.4281 5.8989 5.8989 k = 0.0000 0.0000 0.0662 ( 8404 PWs) bands (ev): -21.2664 -21.2664 -17.4151 -17.4151 -17.3146 -17.3146 -16.1427 -16.1427 -15.1246 -15.1246 -12.6821 -12.6821 -12.6254 -12.6254 -12.0379 -12.0379 -10.6958 -10.6958 -10.1293 -10.1293 -8.5124 -8.5124 -6.7141 -6.7141 -6.5473 -6.5473 -6.3776 -6.3776 -5.7194 -5.7194 -5.5347 -5.5347 -5.0018 -5.0018 -4.9493 -4.9493 -4.6407 -4.6407 -4.6062 -4.6062 -4.2937 -4.2937 -4.0023 -4.0023 -3.9217 -3.9217 -3.8949 -3.8949 -3.5281 -3.5281 -3.3299 -3.3299 -3.1669 -3.1669 -3.0397 -3.0397 -2.6193 -2.6193 -2.5248 -2.5248 -2.2063 -2.2063 -0.3621 -0.3621 2.8663 2.8663 4.8197 4.8197 5.1184 5.1184 5.3323 5.3323 5.4267 5.4267 5.9059 5.9059 k = 0.0000 0.0000 0.0827 ( 8398 PWs) bands (ev): -21.2664 -21.2664 -17.4174 -17.4174 -17.3124 -17.3124 -16.1432 -16.1432 -15.1225 -15.1225 -12.6827 -12.6827 -12.6258 -12.6258 -12.0431 -12.0431 -10.6906 -10.6906 -10.1290 -10.1290 -8.5107 -8.5107 -6.7171 -6.7171 -6.5461 -6.5461 -6.3724 -6.3724 -5.7238 -5.7238 -5.5376 -5.5376 -5.0044 -5.0044 -4.9503 -4.9503 -4.6496 -4.6496 -4.6021 -4.6021 -4.2910 -4.2910 -3.9972 -3.9972 -3.9210 -3.9210 -3.8964 -3.8964 -3.5267 -3.5267 -3.3286 -3.3286 -3.1728 -3.1728 -3.0292 -3.0292 -2.6184 -2.6184 -2.5267 -2.5267 -2.2095 -2.2095 -0.3619 -0.3619 2.8646 2.8646 4.8002 4.8002 5.1350 5.1350 5.3382 5.3382 5.4251 5.4251 5.9150 5.9150 k = 0.0000 0.0000 0.0993 ( 8392 PWs) bands (ev): -21.2664 -21.2664 -17.4200 -17.4200 -17.3100 -17.3100 -16.1438 -16.1438 -15.1201 -15.1201 -12.6835 -12.6835 -12.6263 -12.6263 -12.0491 -12.0491 -10.6844 -10.6844 -10.1286 -10.1286 -8.5087 -8.5087 -6.7206 -6.7206 -6.5442 -6.5442 -6.3664 -6.3664 -5.7288 -5.7288 -5.5414 -5.5414 -5.0074 -5.0074 -4.9515 -4.9515 -4.6601 -4.6601 -4.5969 -4.5969 -4.2879 -4.2879 -3.9920 -3.9920 -3.9199 -3.9199 -3.8981 -3.8981 -3.5249 -3.5249 -3.3270 -3.3270 -3.1790 -3.1790 -3.0175 -3.0175 -2.6178 -2.6178 -2.5287 -2.5287 -2.2134 -2.2134 -0.3617 -0.3617 2.8625 2.8625 4.7798 4.7798 5.1518 5.1518 5.3453 5.3453 5.4233 5.4233 5.9259 5.9259 k = 0.0000 0.0000 0.1158 ( 8394 PWs) bands (ev): -21.2663 -21.2663 -17.4228 -17.4228 -17.3073 -17.3073 -16.1444 -16.1444 -15.1174 -15.1174 -12.6844 -12.6844 -12.6268 -12.6268 -12.0558 -12.0558 -10.6776 -10.6776 -10.1282 -10.1282 -8.5063 -8.5063 -6.7248 -6.7248 -6.5417 -6.5417 -6.3601 -6.3601 -5.7342 -5.7342 -5.5460 -5.5460 -5.0105 -5.0105 -4.9528 -4.9528 -4.6718 -4.6718 -4.5909 -4.5909 -4.2844 -4.2844 -3.9869 -3.9869 -3.9183 -3.9183 -3.9001 -3.9001 -3.5228 -3.5228 -3.3252 -3.3252 -3.1851 -3.1851 -3.0049 -3.0049 -2.6179 -2.6179 -2.5305 -2.5305 -2.2178 -2.2178 -0.3614 -0.3614 2.8601 2.8601 4.7590 4.7590 5.1681 5.1681 5.3536 5.3536 5.4215 5.4215 5.9388 5.9388 k = 0.0000 0.0000 0.1324 ( 8401 PWs) bands (ev): -21.2663 -21.2663 -17.4258 -17.4258 -17.3046 -17.3046 -16.1451 -16.1451 -15.1144 -15.1144 -12.6854 -12.6854 -12.6274 -12.6274 -12.0631 -12.0631 -10.6702 -10.6702 -10.1277 -10.1277 -8.5038 -8.5038 -6.7293 -6.7293 -6.5385 -6.5385 -6.3535 -6.3535 -5.7398 -5.7398 -5.5514 -5.5514 -5.0138 -5.0138 -4.9543 -4.9543 -4.6845 -4.6845 -4.5842 -4.5842 -4.2807 -4.2807 -3.9824 -3.9824 -3.9162 -3.9162 -3.9021 -3.9021 -3.5203 -3.5203 -3.3231 -3.3231 -3.1911 -3.1911 -2.9915 -2.9915 -2.6188 -2.6188 -2.5318 -2.5318 -2.2227 -2.2227 -0.3611 -0.3611 2.8575 2.8575 4.7383 4.7383 5.1835 5.1835 5.3627 5.3627 5.4201 5.4201 5.9534 5.9534 k = 0.0000 0.0000 0.1489 ( 8398 PWs) bands (ev): -21.2663 -21.2663 -17.4288 -17.4288 -17.3018 -17.3018 -16.1459 -16.1459 -15.1112 -15.1112 -12.6865 -12.6865 -12.6280 -12.6280 -12.0707 -12.0707 -10.6623 -10.6623 -10.1272 -10.1272 -8.5010 -8.5010 -6.7343 -6.7343 -6.5346 -6.5346 -6.3470 -6.3470 -5.7455 -5.7455 -5.5577 -5.5577 -5.0171 -5.0171 -4.9558 -4.9558 -4.6977 -4.6977 -4.5768 -4.5768 -4.2769 -4.2769 -3.9787 -3.9787 -3.9139 -3.9139 -3.9040 -3.9040 -3.5175 -3.5175 -3.3208 -3.3208 -3.1968 -3.1968 -2.9775 -2.9775 -2.6210 -2.6210 -2.5324 -2.5324 -2.2281 -2.2281 -0.3607 -0.3607 2.8548 2.8548 4.7182 4.7182 5.1977 5.1977 5.3715 5.3715 5.4201 5.4201 5.9698 5.9698 k = 0.0000 0.0000 0.1654 ( 8397 PWs) bands (ev): -21.2663 -21.2663 -17.4318 -17.4318 -17.2990 -17.2990 -16.1467 -16.1467 -15.1078 -15.1078 -12.6877 -12.6877 -12.6287 -12.6287 -12.0786 -12.0786 -10.6543 -10.6543 -10.1267 -10.1267 -8.4981 -8.4981 -6.7395 -6.7395 -6.5300 -6.5300 -6.3406 -6.3406 -5.7509 -5.7509 -5.5648 -5.5648 -5.0203 -5.0203 -4.9573 -4.9573 -4.7111 -4.7111 -4.5690 -4.5690 -4.2730 -4.2730 -3.9759 -3.9759 -3.9126 -3.9126 -3.9043 -3.9043 -3.5144 -3.5144 -3.3184 -3.3184 -3.2022 -3.2022 -2.9629 -2.9629 -2.6246 -2.6246 -2.5322 -2.5322 -2.2337 -2.2337 -0.3604 -0.3604 2.8519 2.8519 4.6988 4.6988 5.2106 5.2106 5.3784 5.3784 5.4227 5.4227 5.9880 5.9880 k = 0.0000 0.0000 0.1820 ( 8405 PWs) bands (ev): -21.2662 -21.2662 -17.4348 -17.4348 -17.2963 -17.2963 -16.1475 -16.1475 -15.1044 -15.1044 -12.6890 -12.6890 -12.6293 -12.6293 -12.0864 -12.0864 -10.6462 -10.6462 -10.1261 -10.1261 -8.4951 -8.4951 -6.7448 -6.7448 -6.5248 -6.5248 -6.3347 -6.3347 -5.7559 -5.7559 -5.5726 -5.5726 -5.0233 -5.0233 -4.9587 -4.9587 -4.7246 -4.7246 -4.5610 -4.5610 -4.2692 -4.2692 -3.9741 -3.9741 -3.9138 -3.9138 -3.9018 -3.9018 -3.5111 -3.5111 -3.3158 -3.3158 -3.2072 -3.2072 -2.9478 -2.9478 -2.6298 -2.6298 -2.5310 -2.5310 -2.2396 -2.2396 -0.3601 -0.3601 2.8489 2.8489 4.6803 4.6803 5.2224 5.2224 5.3816 5.3816 5.4295 5.4295 6.0077 6.0077 k = 0.0000 0.0000 0.1985 ( 8406 PWs) bands (ev): -21.2662 -21.2662 -17.4376 -17.4376 -17.2937 -17.2937 -16.1483 -16.1483 -15.1010 -15.1010 -12.6903 -12.6903 -12.6300 -12.6300 -12.0942 -12.0942 -10.6382 -10.6382 -10.1256 -10.1256 -8.4920 -8.4920 -6.7502 -6.7502 -6.5191 -6.5191 -6.3294 -6.3294 -5.7602 -5.7602 -5.5811 -5.5811 -5.0262 -5.0262 -4.9601 -4.9601 -4.7379 -4.7379 -4.5527 -4.5527 -4.2656 -4.2656 -3.9729 -3.9729 -3.9164 -3.9164 -3.8978 -3.8978 -3.5075 -3.5075 -3.3131 -3.3131 -3.2120 -3.2120 -2.9323 -2.9323 -2.6365 -2.6365 -2.5291 -2.5291 -2.2457 -2.2457 -0.3597 -0.3597 2.8460 2.8460 4.6631 4.6631 5.2330 5.2330 5.3813 5.3813 5.4401 5.4401 6.0290 6.0290 k = 0.0000 0.0000 0.2151 ( 8402 PWs) bands (ev): -21.2662 -21.2662 -17.4403 -17.4403 -17.2913 -17.2913 -16.1491 -16.1491 -15.0976 -15.0976 -12.6916 -12.6916 -12.6306 -12.6306 -12.1017 -12.1017 -10.6305 -10.6305 -10.1251 -10.1251 -8.4890 -8.4890 -6.7554 -6.7554 -6.5130 -6.5130 -6.3247 -6.3247 -5.7638 -5.7638 -5.5902 -5.5902 -5.0288 -5.0288 -4.9612 -4.9612 -4.7507 -4.7507 -4.5445 -4.5445 -4.2623 -4.2623 -3.9723 -3.9723 -3.9195 -3.9195 -3.8934 -3.8934 -3.5039 -3.5039 -3.3103 -3.3103 -3.2164 -3.2164 -2.9165 -2.9165 -2.6447 -2.6447 -2.5264 -2.5264 -2.2517 -2.2517 -0.3594 -0.3594 2.8431 2.8431 4.6471 4.6471 5.2427 5.2427 5.3786 5.3786 5.4528 5.4528 6.0519 6.0519 k = 0.0000 0.0000 0.2316 ( 8405 PWs) bands (ev): -21.2661 -21.2661 -17.4428 -17.4428 -17.2890 -17.2890 -16.1498 -16.1498 -15.0944 -15.0944 -12.6930 -12.6930 -12.6312 -12.6312 -12.1087 -12.1087 -10.6231 -10.6231 -10.1245 -10.1245 -8.4861 -8.4861 -6.7605 -6.7605 -6.5067 -6.5067 -6.3208 -6.3208 -5.7665 -5.7665 -5.5996 -5.5996 -5.0312 -5.0312 -4.9622 -4.9622 -4.7628 -4.7628 -4.5365 -4.5365 -4.2593 -4.2593 -3.9720 -3.9720 -3.9229 -3.9229 -3.8890 -3.8890 -3.5003 -3.5003 -3.3075 -3.3075 -3.2204 -3.2204 -2.9005 -2.9005 -2.6541 -2.6541 -2.5234 -2.5234 -2.2576 -2.2576 -0.3591 -0.3591 2.8403 2.8403 4.6325 4.6325 5.2516 5.2516 5.3746 5.3746 5.4662 5.4662 6.0761 6.0761 k = 0.0000 0.0000 0.2482 ( 8409 PWs) bands (ev): -21.2661 -21.2661 -17.4451 -17.4451 -17.2870 -17.2870 -16.1505 -16.1505 -15.0913 -15.0913 -12.6943 -12.6943 -12.6317 -12.6317 -12.1152 -12.1152 -10.6164 -10.6164 -10.1240 -10.1240 -8.4833 -8.4833 -6.7652 -6.7652 -6.5003 -6.5003 -6.3178 -6.3178 -5.7682 -5.7682 -5.6093 -5.6093 -5.0333 -5.0333 -4.9629 -4.9629 -4.7740 -4.7740 -4.5288 -4.5288 -4.2567 -4.2567 -3.9717 -3.9717 -3.9263 -3.9263 -3.8849 -3.8849 -3.4967 -3.4967 -3.3047 -3.3047 -3.2241 -3.2241 -2.8843 -2.8843 -2.6645 -2.6645 -2.5202 -2.5202 -2.2633 -2.2633 -0.3588 -0.3588 2.8377 2.8377 4.6195 4.6195 5.2599 5.2599 5.3698 5.3698 5.4795 5.4795 6.1015 6.1015 k = 0.0000 0.0000 0.2647 ( 8409 PWs) bands (ev): -21.2661 -21.2661 -17.4471 -17.4471 -17.2851 -17.2851 -16.1511 -16.1511 -15.0886 -15.0886 -12.6955 -12.6955 -12.6322 -12.6322 -12.1211 -12.1211 -10.6102 -10.6102 -10.1236 -10.1236 -8.4808 -8.4808 -6.7694 -6.7694 -6.4941 -6.4941 -6.3155 -6.3155 -5.7689 -5.7689 -5.6188 -5.6188 -5.0352 -5.0352 -4.9634 -4.9634 -4.7842 -4.7842 -4.5216 -4.5216 -4.2545 -4.2545 -3.9715 -3.9715 -3.9298 -3.9298 -3.8812 -3.8812 -3.4934 -3.4934 -3.3020 -3.3020 -3.2275 -3.2275 -2.8681 -2.8681 -2.6759 -2.6759 -2.5169 -2.5169 -2.2686 -2.2686 -0.3585 -0.3585 2.8353 2.8353 4.6080 4.6080 5.2676 5.2676 5.3645 5.3645 5.4921 5.4921 6.1278 6.1278 k = 0.0000 0.0000 0.2812 ( 8407 PWs) bands (ev): -21.2661 -21.2661 -17.4489 -17.4489 -17.2836 -17.2836 -16.1517 -16.1517 -15.0861 -15.0861 -12.6966 -12.6966 -12.6327 -12.6327 -12.1262 -12.1262 -10.6049 -10.6049 -10.1232 -10.1232 -8.4785 -8.4785 -6.7732 -6.7732 -6.4882 -6.4882 -6.3140 -6.3140 -5.7687 -5.7687 -5.6280 -5.6280 -5.0369 -5.0369 -4.9636 -4.9636 -4.7932 -4.7932 -4.5152 -4.5152 -4.2528 -4.2528 -3.9712 -3.9712 -3.9331 -3.9331 -3.8779 -3.8779 -3.4904 -3.4904 -3.2994 -3.2994 -3.2305 -3.2305 -2.8520 -2.8520 -2.6879 -2.6879 -2.5138 -2.5138 -2.2733 -2.2733 -0.3582 -0.3582 2.8332 2.8332 4.5982 4.5982 5.2748 5.2748 5.3591 5.3591 5.5034 5.5034 6.1548 6.1548 k = 0.0000 0.0000 0.2978 ( 8407 PWs) bands (ev): -21.2660 -21.2660 -17.4503 -17.4503 -17.2823 -17.2823 -16.1522 -16.1522 -15.0840 -15.0840 -12.6975 -12.6975 -12.6330 -12.6330 -12.1304 -12.1304 -10.6004 -10.6004 -10.1229 -10.1229 -8.4766 -8.4766 -6.7764 -6.7764 -6.4830 -6.4830 -6.3131 -6.3131 -5.7678 -5.7678 -5.6365 -5.6365 -5.0382 -5.0382 -4.9637 -4.9637 -4.8009 -4.8009 -4.5096 -4.5096 -4.2515 -4.2515 -3.9707 -3.9707 -3.9362 -3.9362 -3.8753 -3.8753 -3.4877 -3.4877 -3.2970 -3.2970 -3.2331 -3.2331 -2.8363 -2.8363 -2.7003 -2.7003 -2.5111 -2.5111 -2.2775 -2.2775 -0.3580 -0.3580 2.8314 2.8314 4.5902 4.5902 5.2815 5.2815 5.3536 5.3536 5.5131 5.5131 6.1816 6.1816 k = 0.0000 0.0000 0.3143 ( 8403 PWs) bands (ev): -21.2660 -21.2660 -17.4515 -17.4515 -17.2812 -17.2812 -16.1525 -16.1525 -15.0824 -15.0824 -12.6983 -12.6983 -12.6333 -12.6333 -12.1338 -12.1338 -10.5968 -10.5968 -10.1226 -10.1226 -8.4750 -8.4750 -6.7790 -6.7790 -6.4785 -6.4785 -6.3127 -6.3127 -5.7664 -5.7664 -5.6439 -5.6439 -5.0393 -5.0393 -4.9636 -4.9636 -4.8070 -4.8070 -4.5051 -4.5051 -4.2505 -4.2505 -3.9701 -3.9701 -3.9389 -3.9389 -3.8732 -3.8732 -3.4856 -3.4856 -3.2950 -3.2950 -3.2352 -3.2352 -2.8211 -2.8211 -2.7129 -2.7129 -2.5088 -2.5088 -2.2808 -2.2808 -0.3579 -0.3579 2.8300 2.8300 4.5838 4.5838 5.2875 5.2875 5.3485 5.3485 5.5209 5.5209 6.2071 6.2071 k = 0.0000 0.0000 0.3309 ( 8405 PWs) bands (ev): -21.2660 -21.2660 -17.4523 -17.4523 -17.2805 -17.2805 -16.1528 -16.1528 -15.0812 -15.0812 -12.6989 -12.6989 -12.6336 -12.6336 -12.1363 -12.1363 -10.5942 -10.5942 -10.1224 -10.1224 -8.4739 -8.4739 -6.7808 -6.7808 -6.4752 -6.4752 -6.3126 -6.3126 -5.7650 -5.7650 -5.6496 -5.6496 -5.0401 -5.0401 -4.9635 -4.9635 -4.8115 -4.8115 -4.5017 -4.5017 -4.2499 -4.2499 -3.9695 -3.9695 -3.9411 -3.9411 -3.8717 -3.8717 -3.4840 -3.4840 -3.2934 -3.2934 -3.2369 -3.2369 -2.8073 -2.8073 -2.7249 -2.7249 -2.5071 -2.5071 -2.2833 -2.2833 -0.3578 -0.3578 2.8289 2.8289 4.5793 4.5793 5.2925 5.2925 5.3440 5.3440 5.5267 5.5267 6.2294 6.2294 k = 0.0000 0.0000 0.3474 ( 8402 PWs) bands (ev): -21.2660 -21.2660 -17.4528 -17.4528 -17.2801 -17.2801 -16.1530 -16.1530 -15.0804 -15.0804 -12.6992 -12.6992 -12.6337 -12.6337 -12.1378 -12.1378 -10.5926 -10.5926 -10.1223 -10.1223 -8.4732 -8.4732 -6.7820 -6.7820 -6.4731 -6.4731 -6.3126 -6.3126 -5.7640 -5.7640 -5.6533 -5.6533 -5.0405 -5.0405 -4.9634 -4.9634 -4.8142 -4.8142 -4.4997 -4.4997 -4.2495 -4.2495 -3.9691 -3.9691 -3.9425 -3.9425 -3.8708 -3.8708 -3.4831 -3.4831 -3.2924 -3.2924 -3.2379 -3.2379 -2.7964 -2.7964 -2.7348 -2.7348 -2.5060 -2.5060 -2.2848 -2.2848 -0.3577 -0.3577 2.8283 2.8283 4.5766 4.5766 5.2960 5.2960 5.3408 5.3408 5.5302 5.5302 6.2453 6.2453 k = 0.0000 0.0000 0.3640 ( 8404 PWs) bands (ev): -21.2660 -21.2660 -17.4530 -17.4530 -17.2799 -17.2799 -16.1530 -16.1530 -15.0802 -15.0802 -12.6994 -12.6994 -12.6337 -12.6337 -12.1383 -12.1383 -10.5921 -10.5921 -10.1222 -10.1222 -8.4730 -8.4730 -6.7823 -6.7823 -6.4724 -6.4724 -6.3126 -6.3126 -5.7636 -5.7636 -5.6546 -5.6546 -5.0407 -5.0407 -4.9634 -4.9634 -4.8151 -4.8151 -4.4990 -4.4990 -4.2494 -4.2494 -3.9689 -3.9689 -3.9430 -3.9430 -3.8705 -3.8705 -3.4828 -3.4828 -3.2921 -3.2921 -3.2382 -3.2382 -2.7918 -2.7918 -2.7390 -2.7390 -2.5057 -2.5057 -2.2854 -2.2854 -0.3577 -0.3577 2.8281 2.8281 4.5756 4.5756 5.2973 5.2973 5.3396 5.3396 5.5313 5.5313 6.2512 6.2512 k = 0.5000-0.1603 0.3151 ( 8454 PWs) bands (ev): -21.2637 -21.2637 -17.4089 -17.4089 -17.3051 -17.3051 -16.1621 -16.1621 -15.0602 -15.0602 -12.7883 -12.7883 -12.7268 -12.7268 -12.0908 -12.0908 -10.5125 -10.5125 -10.1089 -10.1089 -8.4684 -8.4684 -6.8556 -6.8556 -6.5723 -6.5723 -6.2739 -6.2739 -5.8881 -5.8881 -5.5213 -5.5213 -4.9997 -4.9997 -4.9961 -4.9961 -4.7173 -4.7173 -4.6564 -4.6564 -4.3256 -4.3256 -4.1191 -4.1191 -3.9157 -3.9157 -3.7195 -3.7195 -3.2516 -3.2516 -3.1645 -3.1645 -2.9466 -2.9466 -2.8724 -2.8724 -2.6055 -2.6055 -2.5885 -2.5885 -2.5103 -2.5103 -0.2600 -0.2600 2.8415 2.8415 4.9183 4.9183 5.0491 5.0491 5.0788 5.0788 5.2912 5.2912 6.9246 6.9246 k = 0.4861-0.1559 0.3064 ( 8453 PWs) bands (ev): -21.2637 -21.2637 -17.4090 -17.4090 -17.3051 -17.3051 -16.1621 -16.1621 -15.0603 -15.0603 -12.7880 -12.7880 -12.7267 -12.7267 -12.0907 -12.0907 -10.5128 -10.5128 -10.1090 -10.1090 -8.4685 -8.4685 -6.8553 -6.8553 -6.5726 -6.5726 -6.2740 -6.2740 -5.8877 -5.8877 -5.5212 -5.5212 -5.0045 -5.0045 -4.9908 -4.9908 -4.7174 -4.7174 -4.6567 -4.6567 -4.3250 -4.3250 -4.1195 -4.1195 -3.9155 -3.9155 -3.7198 -3.7198 -3.2522 -3.2522 -3.1647 -3.1647 -2.9469 -2.9469 -2.8727 -2.8727 -2.6057 -2.6057 -2.5882 -2.5882 -2.5099 -2.5099 -0.2602 -0.2602 2.8416 2.8416 4.9175 4.9175 5.0504 5.0504 5.0785 5.0785 5.2916 5.2916 6.9211 6.9211 k = 0.4722-0.1514 0.2976 ( 8454 PWs) bands (ev): -21.2637 -21.2637 -17.4090 -17.4090 -17.3052 -17.3052 -16.1620 -16.1620 -15.0607 -15.0607 -12.7873 -12.7873 -12.7263 -12.7263 -12.0904 -12.0904 -10.5138 -10.5138 -10.1091 -10.1091 -8.4688 -8.4688 -6.8546 -6.8546 -6.5732 -6.5732 -6.2741 -6.2741 -5.8864 -5.8864 -5.5210 -5.5210 -5.0102 -5.0102 -4.9836 -4.9836 -4.7175 -4.7175 -4.6577 -4.6577 -4.3234 -4.3234 -4.1204 -4.1204 -3.9150 -3.9150 -3.7208 -3.7208 -3.2541 -3.2541 -3.1654 -3.1654 -2.9476 -2.9476 -2.8737 -2.8737 -2.6064 -2.6064 -2.5872 -2.5872 -2.5087 -2.5087 -0.2607 -0.2607 2.8419 2.8419 4.9153 4.9153 5.0540 5.0540 5.0776 5.0776 5.2928 5.2928 6.9106 6.9106 k = 0.4583-0.1470 0.2889 ( 8448 PWs) bands (ev): -21.2637 -21.2637 -17.4090 -17.4090 -17.3053 -17.3053 -16.1618 -16.1618 -15.0614 -15.0614 -12.7860 -12.7860 -12.7256 -12.7256 -12.0899 -12.0899 -10.5155 -10.5155 -10.1093 -10.1093 -8.4693 -8.4693 -6.8534 -6.8534 -6.5741 -6.5741 -6.2743 -6.2743 -5.8844 -5.8844 -5.5208 -5.5208 -5.0155 -5.0155 -4.9759 -4.9759 -4.7178 -4.7178 -4.6593 -4.6593 -4.3207 -4.3207 -4.1220 -4.1220 -3.9142 -3.9142 -3.7224 -3.7224 -3.2572 -3.2572 -3.1666 -3.1666 -2.9489 -2.9489 -2.8754 -2.8754 -2.6074 -2.6074 -2.5855 -2.5855 -2.5068 -2.5068 -0.2617 -0.2617 2.8424 2.8424 4.9121 4.9121 5.0592 5.0592 5.0764 5.0764 5.2949 5.2949 6.8935 6.8935 k = 0.4444-0.1425 0.2801 ( 8441 PWs) bands (ev): -21.2637 -21.2637 -17.4090 -17.4090 -17.3055 -17.3055 -16.1615 -16.1615 -15.0623 -15.0623 -12.7842 -12.7842 -12.7246 -12.7246 -12.0892 -12.0892 -10.5179 -10.5179 -10.1096 -10.1096 -8.4700 -8.4700 -6.8518 -6.8518 -6.5754 -6.5754 -6.2746 -6.2746 -5.8815 -5.8815 -5.5204 -5.5204 -5.0202 -5.0202 -4.9677 -4.9677 -4.7181 -4.7181 -4.6615 -4.6615 -4.3170 -4.3170 -4.1242 -4.1242 -3.9131 -3.9131 -3.7246 -3.7246 -3.2615 -3.2615 -3.1682 -3.1682 -2.9507 -2.9507 -2.8778 -2.8778 -2.6087 -2.6087 -2.5833 -2.5833 -2.5041 -2.5041 -0.2630 -0.2630 2.8431 2.8431 4.9085 4.9085 5.0643 5.0643 5.0761 5.0761 5.2978 5.2978 6.8703 6.8703 k = 0.4306-0.1381 0.2714 ( 8442 PWs) bands (ev): -21.2638 -21.2638 -17.4090 -17.4090 -17.3057 -17.3057 -16.1612 -16.1612 -15.0634 -15.0634 -12.7819 -12.7819 -12.7234 -12.7234 -12.0884 -12.0884 -10.5209 -10.5209 -10.1100 -10.1100 -8.4709 -8.4709 -6.8497 -6.8497 -6.5769 -6.5769 -6.2751 -6.2751 -5.8779 -5.8779 -5.5200 -5.5200 -5.0244 -5.0244 -4.9591 -4.9591 -4.7185 -4.7185 -4.6641 -4.6641 -4.3124 -4.3124 -4.1269 -4.1269 -3.9118 -3.9118 -3.7275 -3.7275 -3.2668 -3.2668 -3.1702 -3.1702 -2.9531 -2.9531 -2.8809 -2.8809 -2.6103 -2.6103 -2.5804 -2.5804 -2.5006 -2.5006 -0.2646 -0.2646 2.8439 2.8439 4.9048 4.9048 5.0655 5.0655 5.0800 5.0800 5.3013 5.3013 6.8416 6.8416 k = 0.4167-0.1336 0.2626 ( 8444 PWs) bands (ev): -21.2638 -21.2638 -17.4091 -17.4091 -17.3060 -17.3060 -16.1608 -16.1608 -15.0648 -15.0648 -12.7792 -12.7792 -12.7219 -12.7219 -12.0873 -12.0873 -10.5245 -10.5245 -10.1104 -10.1104 -8.4719 -8.4719 -6.8472 -6.8472 -6.5787 -6.5787 -6.2758 -6.2758 -5.8735 -5.8735 -5.5196 -5.5196 -5.0281 -5.0281 -4.9503 -4.9503 -4.7189 -4.7189 -4.6672 -4.6672 -4.3067 -4.3067 -4.1301 -4.1301 -3.9104 -3.9104 -3.7310 -3.7310 -3.2733 -3.2733 -3.1726 -3.1726 -2.9561 -2.9561 -2.8847 -2.8847 -2.6121 -2.6121 -2.5771 -2.5771 -2.4963 -2.4963 -0.2666 -0.2666 2.8449 2.8449 4.9016 4.9016 5.0631 5.0631 5.0877 5.0877 5.3055 5.3055 6.8081 6.8081 k = 0.4028-0.1292 0.2538 ( 8442 PWs) bands (ev): -21.2639 -21.2639 -17.4091 -17.4091 -17.3063 -17.3063 -16.1604 -16.1604 -15.0664 -15.0664 -12.7760 -12.7760 -12.7202 -12.7202 -12.0861 -12.0861 -10.5287 -10.5287 -10.1109 -10.1109 -8.4731 -8.4731 -6.8443 -6.8443 -6.5805 -6.5805 -6.2769 -6.2769 -5.8684 -5.8684 -5.5191 -5.5191 -5.0313 -5.0313 -4.9413 -4.9413 -4.7193 -4.7193 -4.6705 -4.6705 -4.3003 -4.3003 -4.1337 -4.1337 -3.9089 -3.9089 -3.7350 -3.7350 -3.2807 -3.2807 -3.1753 -3.1753 -2.9598 -2.9598 -2.8892 -2.8892 -2.6140 -2.6140 -2.5733 -2.5733 -2.4913 -2.4913 -0.2689 -0.2689 2.8461 2.8461 4.8992 4.8992 5.0593 5.0593 5.0963 5.0963 5.3102 5.3102 6.7705 6.7705 k = 0.3889-0.1247 0.2451 ( 8438 PWs) bands (ev): -21.2640 -21.2640 -17.4091 -17.4091 -17.3067 -17.3067 -16.1599 -16.1599 -15.0682 -15.0682 -12.7725 -12.7725 -12.7182 -12.7182 -12.0847 -12.0847 -10.5336 -10.5336 -10.1115 -10.1115 -8.4745 -8.4745 -6.8409 -6.8409 -6.5823 -6.5823 -6.2782 -6.2782 -5.8626 -5.8626 -5.5186 -5.5186 -5.0341 -5.0341 -4.9322 -4.9322 -4.7196 -4.7196 -4.6740 -4.6740 -4.2930 -4.2930 -4.1377 -4.1377 -3.9074 -3.9074 -3.7397 -3.7397 -3.2890 -3.2890 -3.1784 -3.1784 -2.9642 -2.9642 -2.8942 -2.8942 -2.6160 -2.6160 -2.5691 -2.5691 -2.4855 -2.4855 -0.2715 -0.2715 2.8473 2.8473 4.8976 4.8976 5.0548 5.0548 5.1051 5.1051 5.3155 5.3155 6.7298 6.7298 k = 0.3750-0.1203 0.2363 ( 8436 PWs) bands (ev): -21.2641 -21.2641 -17.4092 -17.4092 -17.3071 -17.3071 -16.1593 -16.1593 -15.0702 -15.0702 -12.7685 -12.7685 -12.7159 -12.7159 -12.0831 -12.0831 -10.5389 -10.5389 -10.1121 -10.1121 -8.4760 -8.4760 -6.8372 -6.8372 -6.5841 -6.5841 -6.2799 -6.2799 -5.8562 -5.8562 -5.5182 -5.5182 -5.0363 -5.0363 -4.9232 -4.9232 -4.7198 -4.7198 -4.6775 -4.6775 -4.2851 -4.2851 -4.1418 -4.1418 -3.9060 -3.9060 -3.7449 -3.7449 -3.2981 -3.2981 -3.1816 -3.1816 -2.9694 -2.9694 -2.8999 -2.8999 -2.6181 -2.6181 -2.5647 -2.5647 -2.4789 -2.4789 -0.2744 -0.2744 2.8487 2.8487 4.8972 4.8972 5.0500 5.0500 5.1137 5.1137 5.3211 5.3211 6.6864 6.6864 k = 0.3611-0.1158 0.2276 ( 8428 PWs) bands (ev): -21.2641 -21.2641 -17.4092 -17.4092 -17.3076 -17.3076 -16.1587 -16.1587 -15.0724 -15.0724 -12.7642 -12.7642 -12.7135 -12.7135 -12.0813 -12.0813 -10.5448 -10.5448 -10.1128 -10.1128 -8.4777 -8.4777 -6.8331 -6.8331 -6.5857 -6.5857 -6.2820 -6.2820 -5.8493 -5.8493 -5.5178 -5.5178 -5.0382 -5.0382 -4.9144 -4.9144 -4.7199 -4.7199 -4.6807 -4.6807 -4.2766 -4.2766 -4.1461 -4.1461 -3.9048 -3.9048 -3.7506 -3.7506 -3.3080 -3.3080 -3.1851 -3.1851 -2.9756 -2.9756 -2.9060 -2.9060 -2.6201 -2.6201 -2.5601 -2.5601 -2.4714 -2.4714 -0.2776 -0.2776 2.8501 2.8501 4.8980 4.8980 5.0449 5.0449 5.1219 5.1219 5.3270 5.3270 6.6411 6.6411 k = 0.3472-0.1114 0.2188 ( 8425 PWs) bands (ev): -21.2642 -21.2642 -17.4093 -17.4093 -17.3080 -17.3080 -16.1580 -16.1580 -15.0748 -15.0748 -12.7597 -12.7597 -12.7108 -12.7108 -12.0794 -12.0794 -10.5512 -10.5512 -10.1136 -10.1136 -8.4794 -8.4794 -6.8286 -6.8286 -6.5872 -6.5872 -6.2845 -6.2845 -5.8419 -5.8419 -5.5175 -5.5175 -5.0397 -5.0397 -4.9059 -4.9059 -4.7199 -4.7199 -4.6836 -4.6836 -4.2678 -4.2678 -4.1503 -4.1503 -3.9039 -3.9039 -3.7568 -3.7568 -3.3184 -3.3184 -3.1887 -3.1887 -2.9826 -2.9826 -2.9124 -2.9124 -2.6220 -2.6220 -2.5554 -2.5554 -2.4630 -2.4630 -0.2810 -0.2810 2.8516 2.8516 4.8998 4.8998 5.0397 5.0397 5.1296 5.1296 5.3330 5.3330 6.5946 6.5946 k = 0.3333-0.1069 0.2101 ( 8430 PWs) bands (ev): -21.2643 -21.2643 -17.4094 -17.4094 -17.3085 -17.3085 -16.1573 -16.1573 -15.0773 -15.0773 -12.7549 -12.7549 -12.7078 -12.7078 -12.0774 -12.0774 -10.5580 -10.5580 -10.1144 -10.1144 -8.4813 -8.4813 -6.8238 -6.8238 -6.5884 -6.5884 -6.2874 -6.2874 -5.8342 -5.8342 -5.5173 -5.5173 -5.0408 -5.0408 -4.8980 -4.8980 -4.7196 -4.7196 -4.6859 -4.6859 -4.2588 -4.2588 -4.1541 -4.1541 -3.9033 -3.9033 -3.7634 -3.7634 -3.3293 -3.3293 -3.1924 -3.1924 -2.9906 -2.9906 -2.9192 -2.9192 -2.6239 -2.6239 -2.5508 -2.5508 -2.4537 -2.4537 -0.2846 -0.2846 2.8531 2.8531 4.9027 4.9027 5.0347 5.0347 5.1369 5.1369 5.3392 5.3392 6.5471 6.5471 k = 0.3194-0.1024 0.2013 ( 8435 PWs) bands (ev): -21.2645 -21.2645 -17.4094 -17.4094 -17.3091 -17.3091 -16.1565 -16.1565 -15.0799 -15.0799 -12.7499 -12.7499 -12.7047 -12.7047 -12.0752 -12.0752 -10.5652 -10.5652 -10.1152 -10.1152 -8.4832 -8.4832 -6.8188 -6.8188 -6.5892 -6.5892 -6.2907 -6.2907 -5.8262 -5.8262 -5.5172 -5.5172 -5.0417 -5.0417 -4.8908 -4.8908 -4.7191 -4.7191 -4.6874 -4.6874 -4.2502 -4.2502 -4.1573 -4.1573 -3.9030 -3.9030 -3.7704 -3.7704 -3.3407 -3.3407 -3.1963 -3.1963 -2.9995 -2.9995 -2.9262 -2.9262 -2.6256 -2.6256 -2.5464 -2.5464 -2.4435 -2.4435 -0.2884 -0.2884 2.8546 2.8546 4.9064 4.9064 5.0300 5.0300 5.1437 5.1437 5.3454 5.3454 6.4994 6.4994 k = 0.3056-0.0980 0.1926 ( 8440 PWs) bands (ev): -21.2646 -21.2646 -17.4095 -17.4095 -17.3096 -17.3096 -16.1558 -16.1558 -15.0827 -15.0827 -12.7449 -12.7449 -12.7013 -12.7013 -12.0729 -12.0729 -10.5727 -10.5727 -10.1161 -10.1161 -8.4852 -8.4852 -6.8134 -6.8134 -6.5898 -6.5898 -6.2943 -6.2943 -5.8180 -5.8180 -5.5172 -5.5172 -5.0422 -5.0422 -4.8846 -4.8846 -4.7183 -4.7183 -4.6879 -4.6879 -4.2422 -4.2422 -4.1594 -4.1594 -3.9033 -3.9033 -3.7778 -3.7778 -3.3524 -3.3524 -3.2002 -3.2002 -3.0093 -3.0093 -2.9334 -2.9334 -2.6272 -2.6272 -2.5422 -2.5422 -2.4325 -2.4325 -0.2924 -0.2924 2.8561 2.8561 4.9107 4.9107 5.0259 5.0259 5.1502 5.1502 5.3515 5.3515 6.4517 6.4517 k = 0.2917-0.0935 0.1838 ( 8435 PWs) bands (ev): -21.2647 -21.2647 -17.4095 -17.4095 -17.3102 -17.3102 -16.1549 -16.1549 -15.0855 -15.0855 -12.7398 -12.7398 -12.6977 -12.6977 -12.0705 -12.0705 -10.5805 -10.5805 -10.1170 -10.1170 -8.4872 -8.4872 -6.8078 -6.8078 -6.5900 -6.5900 -6.2983 -6.2983 -5.8097 -5.8097 -5.5173 -5.5173 -5.0425 -5.0425 -4.8795 -4.8795 -4.7172 -4.7172 -4.6872 -4.6872 -4.2358 -4.2358 -4.1595 -4.1595 -3.9040 -3.9040 -3.7853 -3.7853 -3.3644 -3.3644 -3.2043 -3.2043 -3.0199 -3.0199 -2.9406 -2.9406 -2.6286 -2.6286 -2.5383 -2.5383 -2.4206 -2.4206 -0.2965 -0.2965 2.8575 2.8575 4.9150 4.9150 5.0228 5.0228 5.1564 5.1564 5.3574 5.3574 6.4045 6.4045 k = 0.2778-0.0891 0.1751 ( 8436 PWs) bands (ev): -21.2648 -21.2648 -17.4096 -17.4096 -17.3108 -17.3108 -16.1541 -16.1541 -15.0884 -15.0884 -12.7346 -12.7346 -12.6939 -12.6939 -12.0680 -12.0680 -10.5886 -10.5886 -10.1179 -10.1179 -8.4892 -8.4892 -6.8020 -6.8020 -6.5897 -6.5897 -6.3027 -6.3027 -5.8014 -5.8014 -5.5175 -5.5175 -5.0425 -5.0425 -4.8757 -4.8757 -4.7158 -4.7158 -4.6853 -4.6853 -4.2316 -4.2316 -4.1571 -4.1571 -3.9052 -3.9052 -3.7931 -3.7931 -3.3765 -3.3765 -3.2084 -3.2084 -3.0311 -3.0311 -2.9479 -2.9479 -2.6298 -2.6298 -2.5347 -2.5347 -2.4081 -2.4081 -0.3007 -0.3007 2.8590 2.8590 4.9188 4.9188 5.0210 5.0210 5.1625 5.1625 5.3632 5.3632 6.3580 6.3580 k = 0.2639-0.0846 0.1663 ( 8438 PWs) bands (ev): -21.2649 -21.2649 -17.4097 -17.4097 -17.3114 -17.3114 -16.1532 -16.1532 -15.0914 -15.0914 -12.7296 -12.7296 -12.6899 -12.6899 -12.0654 -12.0654 -10.5968 -10.5968 -10.1188 -10.1188 -8.4913 -8.4913 -6.7960 -6.7960 -6.5892 -6.5892 -6.3073 -6.3073 -5.7932 -5.7932 -5.5178 -5.5178 -5.0423 -5.0423 -4.8732 -4.8732 -4.7140 -4.7140 -4.6822 -4.6822 -4.2300 -4.2300 -4.1517 -4.1517 -3.9070 -3.9070 -3.8009 -3.8009 -3.3886 -3.3886 -3.2127 -3.2127 -3.0429 -3.0429 -2.9553 -2.9553 -2.6308 -2.6308 -2.5315 -2.5315 -2.3949 -2.3949 -0.3050 -0.3050 2.8603 2.8603 4.9217 4.9217 5.0210 5.0210 5.1687 5.1687 5.3688 5.3688 6.3127 6.3127 k = 0.2500-0.0802 0.1576 ( 8431 PWs) bands (ev): -21.2651 -21.2651 -17.4097 -17.4097 -17.3120 -17.3120 -16.1523 -16.1523 -15.0944 -15.0944 -12.7247 -12.7247 -12.6857 -12.6857 -12.0627 -12.0627 -10.6052 -10.6052 -10.1197 -10.1197 -8.4934 -8.4934 -6.7899 -6.7899 -6.5882 -6.5882 -6.3122 -6.3122 -5.7852 -5.7852 -5.5182 -5.5182 -5.0419 -5.0419 -4.8720 -4.8720 -4.7118 -4.7118 -4.6779 -4.6779 -4.2308 -4.2308 -4.1437 -4.1437 -3.9093 -3.9093 -3.8087 -3.8087 -3.4007 -3.4007 -3.2171 -3.2171 -3.0549 -3.0549 -2.9627 -2.9627 -2.6316 -2.6316 -2.5287 -2.5287 -2.3812 -2.3812 -0.3094 -0.3094 2.8616 2.8616 4.9230 4.9230 5.0230 5.0230 5.1751 5.1751 5.3742 5.3742 6.2687 6.2687 k = 0.2361-0.0757 0.1488 ( 8424 PWs) bands (ev): -21.2652 -21.2652 -17.4098 -17.4098 -17.3126 -17.3126 -16.1514 -16.1514 -15.0973 -15.0973 -12.7200 -12.7200 -12.6812 -12.6812 -12.0600 -12.0600 -10.6136 -10.6136 -10.1206 -10.1206 -8.4954 -8.4954 -6.7836 -6.7836 -6.5869 -6.5869 -6.3173 -6.3173 -5.7774 -5.7774 -5.5187 -5.5187 -5.0412 -5.0412 -4.8721 -4.8721 -4.7090 -4.7090 -4.6726 -4.6726 -4.2334 -4.2334 -4.1337 -4.1337 -3.9120 -3.9120 -3.8165 -3.8165 -3.4127 -3.4127 -3.2218 -3.2218 -3.0669 -3.0669 -2.9702 -2.9702 -2.6321 -2.6321 -2.5262 -2.5262 -2.3671 -2.3671 -0.3138 -0.3138 2.8627 2.8627 4.9226 4.9226 5.0268 5.0268 5.1820 5.1820 5.3794 5.3794 6.2264 6.2264 k = 0.2222-0.0713 0.1401 ( 8426 PWs) bands (ev): -21.2653 -21.2653 -17.4099 -17.4099 -17.3132 -17.3132 -16.1506 -16.1506 -15.1003 -15.1003 -12.7155 -12.7155 -12.6766 -12.6766 -12.0572 -12.0572 -10.6220 -10.6220 -10.1215 -10.1215 -8.4974 -8.4974 -6.7773 -6.7773 -6.5852 -6.5852 -6.3225 -6.3225 -5.7699 -5.7699 -5.5193 -5.5193 -5.0404 -5.0404 -4.8733 -4.8733 -4.7058 -4.7058 -4.6666 -4.6666 -4.2372 -4.2372 -4.1223 -4.1223 -3.9152 -3.9152 -3.8242 -3.8242 -3.4244 -3.4244 -3.2269 -3.2269 -3.0788 -3.0788 -2.9777 -2.9777 -2.6324 -2.6324 -2.5241 -2.5241 -2.3527 -2.3527 -0.3182 -0.3182 2.8638 2.8638 4.9207 4.9207 5.0322 5.0322 5.1896 5.1896 5.3843 5.3843 6.1860 6.1860 k = 0.2083-0.0668 0.1313 ( 8422 PWs) bands (ev): -21.2654 -21.2654 -17.4099 -17.4099 -17.3138 -17.3138 -16.1497 -16.1497 -15.1032 -15.1032 -12.7113 -12.7113 -12.6720 -12.6720 -12.0545 -12.0545 -10.6303 -10.6303 -10.1224 -10.1224 -8.4993 -8.4993 -6.7709 -6.7709 -6.5832 -6.5832 -6.3279 -6.3279 -5.7627 -5.7627 -5.5200 -5.5200 -5.0392 -5.0392 -4.8756 -4.8756 -4.7021 -4.7021 -4.6602 -4.6602 -4.2418 -4.2418 -4.1100 -4.1100 -3.9187 -3.9187 -3.8316 -3.8316 -3.4359 -3.4359 -3.2324 -3.2324 -3.0903 -3.0903 -2.9852 -2.9852 -2.6324 -2.6324 -2.5224 -2.5224 -2.3383 -2.3383 -0.3225 -0.3225 2.8648 2.8648 4.9175 4.9175 5.0384 5.0384 5.1979 5.1979 5.3890 5.3890 6.1477 6.1477 k = 0.1944-0.0624 0.1225 ( 8427 PWs) bands (ev): -21.2655 -21.2655 -17.4100 -17.4100 -17.3144 -17.3144 -16.1488 -16.1488 -15.1060 -15.1060 -12.7073 -12.7073 -12.6672 -12.6672 -12.0518 -12.0518 -10.6385 -10.6385 -10.1233 -10.1233 -8.5012 -8.5012 -6.7646 -6.7646 -6.5809 -6.5809 -6.3334 -6.3334 -5.7560 -5.7560 -5.5207 -5.5207 -5.0379 -5.0379 -4.8788 -4.8788 -4.6978 -4.6978 -4.6534 -4.6534 -4.2468 -4.2468 -4.0974 -4.0974 -3.9225 -3.9225 -3.8388 -3.8388 -3.4470 -3.4470 -3.2384 -3.2384 -3.1011 -3.1011 -2.9927 -2.9927 -2.6323 -2.6323 -2.5210 -2.5210 -2.3239 -2.3239 -0.3268 -0.3268 2.8657 2.8657 4.9134 4.9134 5.0449 5.0449 5.2073 5.2073 5.3934 5.3934 6.1117 6.1117 k = 0.1806-0.0579 0.1138 ( 8422 PWs) bands (ev): -21.2656 -21.2656 -17.4101 -17.4101 -17.3149 -17.3149 -16.1480 -16.1480 -15.1087 -15.1087 -12.7037 -12.7037 -12.6624 -12.6624 -12.0491 -12.0491 -10.6465 -10.6465 -10.1241 -10.1241 -8.5030 -8.5030 -6.7583 -6.7583 -6.5784 -6.5784 -6.3390 -6.3390 -5.7497 -5.7497 -5.5215 -5.5215 -5.0361 -5.0361 -4.8827 -4.8827 -4.6931 -4.6931 -4.6467 -4.6467 -4.2521 -4.2521 -4.0846 -4.0846 -3.9264 -3.9264 -3.8456 -3.8456 -3.4577 -3.4577 -3.2451 -3.2451 -3.1109 -3.1109 -3.0001 -3.0001 -2.6319 -2.6319 -2.5199 -2.5199 -2.3096 -2.3096 -0.3310 -0.3310 2.8664 2.8664 4.9086 4.9086 5.0512 5.0512 5.2175 5.2175 5.3977 5.3977 6.0782 6.0782 k = 0.1667-0.0534 0.1050 ( 8421 PWs) bands (ev): -21.2658 -21.2658 -17.4101 -17.4101 -17.3155 -17.3155 -16.1471 -16.1471 -15.1114 -15.1114 -12.7003 -12.7003 -12.6577 -12.6577 -12.0464 -12.0464 -10.6543 -10.6543 -10.1249 -10.1249 -8.5048 -8.5048 -6.7522 -6.7522 -6.5756 -6.5756 -6.3445 -6.3445 -5.7438 -5.7438 -5.5223 -5.5223 -5.0341 -5.0341 -4.8873 -4.8873 -4.6879 -4.6879 -4.6401 -4.6401 -4.2574 -4.2574 -4.0721 -4.0721 -3.9301 -3.9301 -3.8520 -3.8520 -3.4679 -3.4679 -3.2524 -3.2524 -3.1197 -3.1197 -3.0075 -3.0075 -2.6313 -2.6313 -2.5191 -2.5191 -2.2957 -2.2957 -0.3351 -0.3351 2.8671 2.8671 4.9036 4.9036 5.0569 5.0569 5.2286 5.2286 5.4017 5.4017 6.0474 6.0474 k = 0.1528-0.0490 0.0963 ( 8412 PWs) bands (ev): -21.2659 -21.2659 -17.4102 -17.4102 -17.3160 -17.3160 -16.1464 -16.1464 -15.1139 -15.1139 -12.6972 -12.6972 -12.6531 -12.6531 -12.0439 -12.0439 -10.6617 -10.6617 -10.1256 -10.1256 -8.5064 -8.5064 -6.7462 -6.7462 -6.5728 -6.5728 -6.3500 -6.3500 -5.7385 -5.7385 -5.5232 -5.5232 -5.0318 -5.0318 -4.8924 -4.8924 -4.6823 -4.6823 -4.6339 -4.6339 -4.2627 -4.2627 -4.0601 -4.0601 -3.9336 -3.9336 -3.8580 -3.8580 -3.4775 -3.4775 -3.2604 -3.2604 -3.1273 -3.1273 -3.0146 -3.0146 -2.6305 -2.6305 -2.5186 -2.5186 -2.2823 -2.2823 -0.3390 -0.3390 2.8676 2.8676 4.8985 4.8985 5.0618 5.0618 5.2403 5.2403 5.4055 5.4055 6.0194 6.0194 k = 0.1389-0.0445 0.0875 ( 8408 PWs) bands (ev): -21.2659 -21.2659 -17.4102 -17.4102 -17.3165 -17.3165 -16.1456 -16.1456 -15.1162 -15.1162 -12.6943 -12.6943 -12.6486 -12.6486 -12.0414 -12.0414 -10.6687 -10.6687 -10.1263 -10.1263 -8.5079 -8.5079 -6.7404 -6.7404 -6.5698 -6.5698 -6.3554 -6.3554 -5.7336 -5.7336 -5.5241 -5.5241 -5.0291 -5.0291 -4.8979 -4.8979 -4.6763 -4.6763 -4.6283 -4.6283 -4.2680 -4.2680 -4.0489 -4.0489 -3.9366 -3.9366 -3.8635 -3.8635 -3.4864 -3.4864 -3.2689 -3.2689 -3.1337 -3.1337 -3.0216 -3.0216 -2.6296 -2.6296 -2.5184 -2.5184 -2.2694 -2.2694 -0.3427 -0.3427 2.8681 2.8681 4.8934 4.8934 5.0659 5.0659 5.2522 5.2522 5.4092 5.4092 5.9943 5.9943 k = 0.1250-0.0401 0.0788 ( 8404 PWs) bands (ev): -21.2660 -21.2660 -17.4103 -17.4103 -17.3169 -17.3169 -16.1449 -16.1449 -15.1184 -15.1184 -12.6918 -12.6918 -12.6444 -12.6444 -12.0391 -12.0391 -10.6752 -10.6752 -10.1270 -10.1270 -8.5093 -8.5093 -6.7350 -6.7350 -6.5667 -6.5667 -6.3606 -6.3606 -5.7292 -5.7292 -5.5249 -5.5249 -5.0260 -5.0260 -4.9037 -4.9037 -4.6702 -4.6702 -4.6232 -4.6232 -4.2730 -4.2730 -4.0389 -4.0389 -3.9387 -3.9387 -3.8685 -3.8685 -3.4946 -3.4946 -3.2779 -3.2779 -3.1388 -3.1388 -3.0282 -3.0282 -2.6287 -2.6287 -2.5183 -2.5183 -2.2573 -2.2573 -0.3462 -0.3462 2.8685 2.8685 4.8885 4.8885 5.0692 5.0692 5.2641 5.2641 5.4126 5.4126 5.9721 5.9721 k = 0.1111-0.0356 0.0700 ( 8404 PWs) bands (ev): -21.2661 -21.2661 -17.4103 -17.4103 -17.3173 -17.3173 -16.1443 -16.1443 -15.1204 -15.1204 -12.6895 -12.6895 -12.6405 -12.6405 -12.0370 -12.0370 -10.6813 -10.6813 -10.1276 -10.1276 -8.5106 -8.5106 -6.7299 -6.7299 -6.5637 -6.5637 -6.3656 -6.3656 -5.7253 -5.7253 -5.5258 -5.5258 -5.0227 -5.0227 -4.9098 -4.9098 -4.6638 -4.6638 -4.6189 -4.6189 -4.2778 -4.2778 -4.0305 -4.0305 -3.9397 -3.9397 -3.8730 -3.8730 -3.5021 -3.5021 -3.2869 -3.2869 -3.1429 -3.1429 -3.0345 -3.0345 -2.6276 -2.6276 -2.5184 -2.5184 -2.2461 -2.2461 -0.3494 -0.3494 2.8688 2.8688 4.8839 4.8839 5.0718 5.0718 5.2754 5.2754 5.4158 5.4158 5.9529 5.9529 k = 0.0972-0.0312 0.0613 ( 8400 PWs) bands (ev): -21.2662 -21.2662 -17.4103 -17.4103 -17.3177 -17.3177 -16.1437 -16.1437 -15.1222 -15.1222 -12.6875 -12.6875 -12.6370 -12.6370 -12.0350 -12.0350 -10.6868 -10.6868 -10.1281 -10.1281 -8.5117 -8.5117 -6.7252 -6.7252 -6.5608 -6.5608 -6.3703 -6.3703 -5.7218 -5.7218 -5.5266 -5.5266 -5.0190 -5.0190 -4.9160 -4.9160 -4.6575 -4.6575 -4.6154 -4.6154 -4.2822 -4.2822 -4.0239 -4.0239 -3.9393 -3.9393 -3.8771 -3.8771 -3.5087 -3.5087 -3.2959 -3.2959 -3.1460 -3.1460 -3.0404 -3.0404 -2.6265 -2.6265 -2.5187 -2.5187 -2.2359 -2.2359 -0.3523 -0.3523 2.8690 2.8690 4.8796 4.8796 5.0737 5.0737 5.2860 5.2860 5.4188 5.4188 5.9365 5.9365 k = 0.0833-0.0267 0.0525 ( 8396 PWs) bands (ev): -21.2663 -21.2663 -17.4104 -17.4104 -17.3180 -17.3180 -16.1432 -16.1432 -15.1238 -15.1238 -12.6858 -12.6858 -12.6338 -12.6338 -12.0333 -12.0333 -10.6916 -10.6916 -10.1285 -10.1285 -8.5127 -8.5127 -6.7210 -6.7210 -6.5580 -6.5580 -6.3746 -6.3746 -5.7189 -5.7189 -5.5273 -5.5273 -5.0151 -5.0151 -4.9222 -4.9222 -4.6513 -4.6513 -4.6127 -4.6127 -4.2863 -4.2863 -4.0191 -4.0191 -3.9377 -3.9377 -3.8807 -3.8807 -3.5145 -3.5145 -3.3044 -3.3044 -3.1483 -3.1483 -3.0457 -3.0457 -2.6254 -2.6254 -2.5190 -2.5190 -2.2268 -2.2268 -0.3549 -0.3549 2.8692 2.8692 4.8758 4.8758 5.0752 5.0752 5.2954 5.2954 5.4215 5.4215 5.9230 5.9230 k = 0.0694-0.0223 0.0438 ( 8395 PWs) bands (ev): -21.2663 -21.2663 -17.4104 -17.4104 -17.3183 -17.3183 -16.1428 -16.1428 -15.1252 -15.1252 -12.6843 -12.6843 -12.6311 -12.6311 -12.0318 -12.0318 -10.6958 -10.6958 -10.1289 -10.1289 -8.5136 -8.5136 -6.7174 -6.7174 -6.5554 -6.5554 -6.3785 -6.3785 -5.7164 -5.7164 -5.5280 -5.5280 -5.0110 -5.0110 -4.9283 -4.9283 -4.6453 -4.6453 -4.6109 -4.6109 -4.2899 -4.2899 -4.0160 -4.0160 -3.9349 -3.9349 -3.8838 -3.8838 -3.5194 -3.5194 -3.3122 -3.3122 -3.1500 -3.1500 -3.0504 -3.0504 -2.6244 -2.6244 -2.5194 -2.5194 -2.2189 -2.2189 -0.3572 -0.3572 2.8694 2.8694 4.8725 4.8725 5.0763 5.0763 5.3036 5.3036 5.4239 5.4239 5.9121 5.9121 k = 0.0556-0.0178 0.0350 ( 8395 PWs) bands (ev): -21.2664 -21.2664 -17.4104 -17.4104 -17.3185 -17.3185 -16.1424 -16.1424 -15.1263 -15.1263 -12.6831 -12.6831 -12.6288 -12.6288 -12.0305 -12.0305 -10.6993 -10.6993 -10.1293 -10.1293 -8.5143 -8.5143 -6.7143 -6.7143 -6.5532 -6.5532 -6.3818 -6.3818 -5.7144 -5.7144 -5.5286 -5.5286 -5.0069 -5.0069 -4.9340 -4.9340 -4.6396 -4.6396 -4.6099 -4.6099 -4.2930 -4.2930 -4.0143 -4.0143 -3.9316 -3.9316 -3.8866 -3.8866 -3.5234 -3.5234 -3.3191 -3.3191 -3.1511 -3.1511 -3.0544 -3.0544 -2.6235 -2.6235 -2.5198 -2.5198 -2.2123 -2.2123 -0.3591 -0.3591 2.8695 2.8695 4.8697 4.8697 5.0770 5.0770 5.3103 5.3103 5.4260 5.4260 5.9036 5.9036 k = 0.0417-0.0134 0.0263 ( 8390 PWs) bands (ev): -21.2664 -21.2664 -17.4104 -17.4104 -17.3187 -17.3187 -16.1421 -16.1421 -15.1272 -15.1272 -12.6822 -12.6822 -12.6270 -12.6270 -12.0295 -12.0295 -10.7021 -10.7021 -10.1295 -10.1295 -8.5148 -8.5148 -6.7119 -6.7119 -6.5513 -6.5513 -6.3845 -6.3845 -5.7129 -5.7129 -5.5290 -5.5290 -5.0031 -5.0031 -4.9392 -4.9392 -4.6346 -4.6346 -4.6097 -4.6097 -4.2954 -4.2954 -4.0135 -4.0135 -3.9282 -3.9282 -3.8888 -3.8888 -3.5265 -3.5265 -3.3247 -3.3247 -3.1518 -3.1518 -3.0577 -3.0577 -2.6228 -2.6228 -2.5202 -2.5202 -2.2071 -2.2071 -0.3606 -0.3606 2.8695 2.8695 4.8675 4.8675 5.0776 5.0776 5.3155 5.3155 5.4276 5.4276 5.8973 5.8973 k = 0.0278-0.0089 0.0175 ( 8393 PWs) bands (ev): -21.2664 -21.2664 -17.4105 -17.4105 -17.3188 -17.3188 -16.1419 -16.1419 -15.1278 -15.1278 -12.6815 -12.6815 -12.6257 -12.6257 -12.0288 -12.0288 -10.7040 -10.7040 -10.1297 -10.1297 -8.5152 -8.5152 -6.7101 -6.7101 -6.5500 -6.5500 -6.3865 -6.3865 -5.7117 -5.7117 -5.5294 -5.5294 -4.9998 -4.9998 -4.9434 -4.9434 -4.6304 -4.6304 -4.6101 -4.6101 -4.2972 -4.2972 -4.0132 -4.0132 -3.9252 -3.9252 -3.8906 -3.8906 -3.5288 -3.5288 -3.3289 -3.3289 -3.1523 -3.1523 -3.0600 -3.0600 -2.6222 -2.6222 -2.5204 -2.5204 -2.2034 -2.2034 -0.3617 -0.3617 2.8696 2.8696 4.8660 4.8660 5.0779 5.0779 5.3192 5.3192 5.4288 5.4288 5.8930 5.8930 k = 0.0139-0.0045 0.0088 ( 8394 PWs) bands (ev): -21.2664 -21.2664 -17.4105 -17.4105 -17.3189 -17.3189 -16.1418 -16.1418 -15.1282 -15.1282 -12.6811 -12.6811 -12.6249 -12.6249 -12.0283 -12.0283 -10.7052 -10.7052 -10.1298 -10.1298 -8.5155 -8.5155 -6.7091 -6.7091 -6.5491 -6.5491 -6.3877 -6.3877 -5.7111 -5.7111 -5.5296 -5.5296 -4.9975 -4.9975 -4.9463 -4.9463 -4.6274 -4.6274 -4.6107 -4.6107 -4.2983 -4.2983 -4.0131 -4.0131 -3.9232 -3.9232 -3.8918 -3.8918 -3.5301 -3.5301 -3.3315 -3.3315 -3.1525 -3.1525 -3.0615 -3.0615 -2.6218 -2.6218 -2.5206 -2.5206 -2.2011 -2.2011 -0.3623 -0.3623 2.8696 2.8696 4.8650 4.8650 5.0781 5.0781 5.3214 5.3214 5.4296 5.4296 5.8905 5.8905 k = 0.0000 0.0000 0.0000 ( 8389 PWs) bands (ev): -21.2664 -21.2664 -17.4105 -17.4105 -17.3189 -17.3189 -16.1418 -16.1418 -15.1283 -15.1283 -12.6809 -12.6809 -12.6246 -12.6246 -12.0282 -12.0282 -10.7056 -10.7056 -10.1299 -10.1299 -8.5155 -8.5155 -6.7087 -6.7087 -6.5488 -6.5488 -6.3881 -6.3881 -5.7109 -5.7109 -5.5297 -5.5297 -4.9967 -4.9967 -4.9473 -4.9473 -4.6263 -4.6263 -4.6110 -4.6110 -4.2987 -4.2987 -4.0131 -4.0131 -3.9225 -3.9225 -3.8922 -3.8922 -3.5305 -3.5305 -3.3323 -3.3323 -3.1526 -3.1526 -3.0620 -3.0620 -2.6217 -2.6217 -2.5207 -2.5207 -2.2003 -2.2003 -0.3625 -0.3625 2.8696 2.8696 4.8647 4.8647 5.0781 5.0781 5.3221 5.3221 5.4299 5.4299 5.8897 5.8897 k = 0.0000 0.0000 0.0000 ( 8389 PWs) bands (ev): -21.2664 -21.2664 -17.4105 -17.4105 -17.3189 -17.3189 -16.1418 -16.1418 -15.1283 -15.1283 -12.6809 -12.6809 -12.6246 -12.6246 -12.0282 -12.0282 -10.7056 -10.7056 -10.1299 -10.1299 -8.5155 -8.5155 -6.7087 -6.7087 -6.5488 -6.5488 -6.3881 -6.3881 -5.7109 -5.7109 -5.5297 -5.5297 -4.9967 -4.9967 -4.9473 -4.9473 -4.6263 -4.6263 -4.6110 -4.6110 -4.2987 -4.2987 -4.0131 -4.0131 -3.9225 -3.9225 -3.8922 -3.8922 -3.5305 -3.5305 -3.3323 -3.3323 -3.1526 -3.1526 -3.0620 -3.0620 -2.6217 -2.6217 -2.5207 -2.5207 -2.2003 -2.2003 -0.3625 -0.3625 2.8696 2.8696 4.8647 4.8647 5.0781 5.0781 5.3221 5.3221 5.4299 5.4299 5.8897 5.8897 k = 0.0000 0.0145 0.0090 ( 8391 PWs) bands (ev): -21.2664 -21.2664 -17.4106 -17.4106 -17.3188 -17.3188 -16.1418 -16.1418 -15.1283 -15.1283 -12.6808 -12.6808 -12.6249 -12.6249 -12.0282 -12.0282 -10.7054 -10.7054 -10.1299 -10.1299 -8.5155 -8.5155 -6.7089 -6.7089 -6.5485 -6.5485 -6.3878 -6.3878 -5.7108 -5.7108 -5.5300 -5.5300 -4.9965 -4.9965 -4.9483 -4.9483 -4.6261 -4.6261 -4.6103 -4.6103 -4.2987 -4.2987 -4.0138 -4.0138 -3.9230 -3.9230 -3.8930 -3.8930 -3.5303 -3.5303 -3.3305 -3.3305 -3.1544 -3.1544 -3.0596 -3.0596 -2.6217 -2.6217 -2.5211 -2.5211 -2.2009 -2.2009 -0.3624 -0.3624 2.8695 2.8695 4.8629 4.8629 5.0794 5.0794 5.3221 5.3221 5.4287 5.4287 5.8907 5.8907 k = 0.0000 0.0289 0.0181 ( 8391 PWs) bands (ev): -21.2664 -21.2664 -17.4109 -17.4109 -17.3183 -17.3183 -16.1420 -16.1420 -15.1284 -15.1284 -12.6803 -12.6803 -12.6256 -12.6256 -12.0285 -12.0285 -10.7048 -10.7048 -10.1299 -10.1299 -8.5154 -8.5154 -6.7095 -6.7095 -6.5476 -6.5476 -6.3870 -6.3870 -5.7105 -5.7105 -5.5311 -5.5311 -4.9961 -4.9961 -4.9512 -4.9512 -4.6257 -4.6257 -4.6077 -4.6077 -4.2986 -4.2986 -4.0160 -4.0160 -3.9247 -3.9247 -3.8950 -3.8950 -3.5295 -3.5295 -3.3251 -3.3251 -3.1593 -3.1593 -3.0531 -3.0531 -2.6217 -2.6217 -2.5223 -2.5223 -2.2026 -2.2026 -0.3622 -0.3622 2.8692 2.8692 4.8578 4.8578 5.0829 5.0829 5.3220 5.3220 5.4253 5.4253 5.8936 5.8936 k = 0.0000 0.0434 0.0271 ( 8394 PWs) bands (ev): -21.2664 -21.2664 -17.4114 -17.4114 -17.3176 -17.3176 -16.1424 -16.1424 -15.1284 -15.1284 -12.6795 -12.6795 -12.6267 -12.6267 -12.0289 -12.0289 -10.7037 -10.7037 -10.1298 -10.1298 -8.5153 -8.5153 -6.7104 -6.7104 -6.5461 -6.5461 -6.3857 -6.3857 -5.7100 -5.7100 -5.5328 -5.5328 -4.9956 -4.9956 -4.9556 -4.9556 -4.6257 -4.6257 -4.6029 -4.6029 -4.2986 -4.2986 -4.0197 -4.0197 -3.9279 -3.9279 -3.8976 -3.8976 -3.5282 -3.5282 -3.3165 -3.3165 -3.1661 -3.1661 -3.0435 -3.0435 -2.6218 -2.6218 -2.5243 -2.5243 -2.2053 -2.2053 -0.3617 -0.3617 2.8686 2.8686 4.8497 4.8497 5.0882 5.0882 5.3220 5.3220 5.4197 5.4197 5.8985 5.8985 k = 0.0000 0.0578 0.0361 ( 8399 PWs) bands (ev): -21.2664 -21.2664 -17.4121 -17.4121 -17.3166 -17.3166 -16.1429 -16.1429 -15.1284 -15.1284 -12.6785 -12.6785 -12.6282 -12.6282 -12.0294 -12.0294 -10.7022 -10.7022 -10.1298 -10.1298 -8.5151 -8.5151 -6.7116 -6.7116 -6.5441 -6.5441 -6.3839 -6.3839 -5.7094 -5.7094 -5.5351 -5.5351 -4.9952 -4.9952 -4.9610 -4.9610 -4.6265 -4.6265 -4.5960 -4.5960 -4.2985 -4.2985 -4.0250 -4.0250 -3.9328 -3.9328 -3.9000 -3.9000 -3.5261 -3.5261 -3.3055 -3.3055 -3.1736 -3.1736 -3.0319 -3.0319 -2.6218 -2.6218 -2.5272 -2.5272 -2.2091 -2.2091 -0.3610 -0.3610 2.8678 2.8678 4.8394 4.8394 5.0946 5.0946 5.3223 5.3223 5.4119 5.4119 5.9053 5.9053 k = 0.0000 0.0723 0.0451 ( 8398 PWs) bands (ev): -21.2664 -21.2664 -17.4129 -17.4129 -17.3154 -17.3154 -16.1435 -16.1435 -15.1284 -15.1284 -12.6772 -12.6772 -12.6300 -12.6300 -12.0300 -12.0300 -10.7002 -10.7002 -10.1298 -10.1298 -8.5148 -8.5148 -6.7132 -6.7132 -6.5414 -6.5414 -6.3817 -6.3817 -5.7086 -5.7086 -5.5380 -5.5380 -4.9954 -4.9954 -4.9665 -4.9665 -4.6280 -4.6280 -4.5876 -4.5876 -4.2983 -4.2983 -4.0319 -4.0319 -3.9395 -3.9395 -3.9017 -3.9017 -3.5232 -3.5232 -3.2927 -3.2927 -3.1808 -3.1808 -3.0190 -3.0190 -2.6218 -2.6218 -2.5308 -2.5308 -2.2139 -2.2139 -0.3602 -0.3602 2.8667 2.8667 4.8273 4.8273 5.1015 5.1015 5.3229 5.3229 5.4022 5.4022 5.9141 5.9141 k = 0.0000 0.0867 0.0542 ( 8402 PWs) bands (ev): -21.2663 -21.2663 -17.4139 -17.4139 -17.3139 -17.3139 -16.1443 -16.1443 -15.1285 -15.1285 -12.6759 -12.6759 -12.6321 -12.6321 -12.0309 -12.0309 -10.6979 -10.6979 -10.1298 -10.1298 -8.5144 -8.5144 -6.7151 -6.7151 -6.5383 -6.5383 -6.3791 -6.3791 -5.7076 -5.7076 -5.5414 -5.5414 -4.9974 -4.9974 -4.9709 -4.9709 -4.6300 -4.6300 -4.5781 -4.5781 -4.2982 -4.2982 -4.0407 -4.0407 -3.9472 -3.9472 -3.9027 -3.9027 -3.5196 -3.5196 -3.2795 -3.2795 -3.1865 -3.1865 -3.0052 -3.0052 -2.6219 -2.6219 -2.5352 -2.5352 -2.2196 -2.2196 -0.3593 -0.3593 2.8654 2.8654 4.8141 4.8141 5.1080 5.1080 5.3241 5.3241 5.3906 5.3906 5.9249 5.9249 k = 0.0000 0.1012 0.0632 ( 8400 PWs) bands (ev): -21.2663 -21.2663 -17.4150 -17.4150 -17.3123 -17.3123 -16.1451 -16.1451 -15.1285 -15.1285 -12.6745 -12.6745 -12.6342 -12.6342 -12.0318 -12.0318 -10.6953 -10.6953 -10.1298 -10.1298 -8.5141 -8.5141 -6.7172 -6.7172 -6.5346 -6.5346 -6.3762 -6.3762 -5.7065 -5.7065 -5.5453 -5.5453 -5.0019 -5.0019 -4.9728 -4.9728 -4.6325 -4.6325 -4.5682 -4.5682 -4.2980 -4.2980 -4.0512 -4.0512 -3.9554 -3.9554 -3.9030 -3.9030 -3.5151 -3.5151 -3.2674 -3.2674 -3.1892 -3.1892 -2.9910 -2.9910 -2.6221 -2.6221 -2.5404 -2.5404 -2.2263 -2.2263 -0.3581 -0.3581 2.8639 2.8639 4.8001 4.8001 5.1137 5.1137 5.3262 5.3262 5.3774 5.3774 5.9377 5.9377 k = 0.0000 0.1156 0.0722 ( 8401 PWs) bands (ev): -21.2662 -21.2662 -17.4163 -17.4163 -17.3105 -17.3105 -16.1461 -16.1461 -15.1286 -15.1286 -12.6733 -12.6733 -12.6363 -12.6363 -12.0329 -12.0329 -10.6922 -10.6922 -10.1298 -10.1298 -8.5136 -8.5136 -6.7196 -6.7196 -6.5305 -6.5305 -6.3731 -6.3731 -5.7053 -5.7053 -5.5496 -5.5496 -5.0087 -5.0087 -4.9725 -4.9725 -4.6355 -4.6355 -4.5583 -4.5583 -4.2976 -4.2976 -4.0632 -4.0632 -3.9634 -3.9634 -3.9027 -3.9027 -3.5097 -3.5097 -3.2587 -3.2587 -3.1871 -3.1871 -2.9764 -2.9764 -2.6222 -2.6222 -2.5463 -2.5463 -2.2339 -2.2339 -0.3569 -0.3569 2.8621 2.8621 4.7858 4.7858 5.1181 5.1181 5.3294 5.3294 5.3629 5.3629 5.9525 5.9525 k = 0.0000 0.1301 0.0813 ( 8404 PWs) bands (ev): -21.2662 -21.2662 -17.4175 -17.4175 -17.3085 -17.3085 -16.1472 -16.1472 -15.1286 -15.1286 -12.6727 -12.6727 -12.6379 -12.6379 -12.0341 -12.0341 -10.6889 -10.6889 -10.1298 -10.1298 -8.5131 -8.5131 -6.7222 -6.7222 -6.5259 -6.5259 -6.3698 -6.3698 -5.7039 -5.7039 -5.5541 -5.5541 -5.0168 -5.0168 -4.9707 -4.9707 -4.6388 -4.6388 -4.5490 -4.5490 -4.2971 -4.2971 -4.0765 -4.0765 -3.9711 -3.9711 -3.9021 -3.9021 -3.5037 -3.5037 -3.2548 -3.2548 -3.1788 -3.1788 -2.9616 -2.9616 -2.6225 -2.6225 -2.5529 -2.5529 -2.2423 -2.2423 -0.3555 -0.3555 2.8601 2.8601 4.7714 4.7714 5.1209 5.1209 5.3332 5.3332 5.3476 5.3476 5.9693 5.9693 k = 0.0000 0.1445 0.0903 ( 8403 PWs) bands (ev): -21.2661 -21.2661 -17.4189 -17.4189 -17.3065 -17.3065 -16.1483 -16.1483 -15.1287 -15.1287 -12.6728 -12.6728 -12.6387 -12.6387 -12.0354 -12.0354 -10.6853 -10.6853 -10.1297 -10.1297 -8.5126 -8.5126 -6.7249 -6.7249 -6.5209 -6.5209 -6.3663 -6.3663 -5.7025 -5.7025 -5.5588 -5.5588 -5.0253 -5.0253 -4.9680 -4.9680 -4.6425 -4.6425 -4.5406 -4.5406 -4.2964 -4.2964 -4.0908 -4.0908 -3.9781 -3.9781 -3.9011 -3.9011 -3.4969 -3.4969 -3.2547 -3.2547 -3.1656 -3.1656 -2.9467 -2.9467 -2.6228 -2.6228 -2.5601 -2.5601 -2.2514 -2.2514 -0.3540 -0.3540 2.8577 2.8577 4.7573 4.7573 5.1218 5.1218 5.3282 5.3282 5.3415 5.3415 5.9881 5.9881 k = 0.0000 0.1590 0.0993 ( 8403 PWs) bands (ev): -21.2661 -21.2661 -17.4203 -17.4203 -17.3043 -17.3043 -16.1496 -16.1496 -15.1287 -15.1287 -12.6740 -12.6740 -12.6386 -12.6386 -12.0368 -12.0368 -10.6815 -10.6815 -10.1297 -10.1297 -8.5121 -8.5121 -6.7277 -6.7277 -6.5156 -6.5156 -6.3628 -6.3628 -5.7009 -5.7009 -5.5636 -5.5636 -5.0338 -5.0338 -4.9649 -4.9649 -4.6466 -4.6466 -4.5335 -4.5335 -4.2953 -4.2953 -4.1055 -4.1055 -3.9845 -3.9845 -3.8999 -3.8999 -3.4895 -3.4895 -3.2568 -3.2568 -3.1492 -3.1492 -2.9320 -2.9320 -2.6232 -2.6232 -2.5679 -2.5679 -2.2611 -2.2611 -0.3524 -0.3524 2.8552 2.8552 4.7435 4.7435 5.1209 5.1209 5.3111 5.3111 5.3478 5.3478 6.0090 6.0090 k = 0.0000 0.1734 0.1084 ( 8404 PWs) bands (ev): -21.2660 -21.2660 -17.4216 -17.4216 -17.3021 -17.3021 -16.1509 -16.1509 -15.1288 -15.1288 -12.6763 -12.6763 -12.6373 -12.6373 -12.0383 -12.0383 -10.6774 -10.6774 -10.1297 -10.1297 -8.5115 -8.5115 -6.7306 -6.7306 -6.5101 -6.5101 -6.3592 -6.3592 -5.6993 -5.6993 -5.5685 -5.5685 -5.0421 -5.0421 -4.9614 -4.9614 -4.6509 -4.6509 -4.5279 -4.5279 -4.2939 -4.2939 -4.1204 -4.1204 -3.9902 -3.9902 -3.8985 -3.8985 -3.4816 -3.4816 -3.2595 -3.2595 -3.1315 -3.1315 -2.9173 -2.9173 -2.6238 -2.6238 -2.5762 -2.5762 -2.2714 -2.2714 -0.3508 -0.3508 2.8524 2.8524 4.7303 4.7303 5.1183 5.1183 5.2928 5.2928 5.3559 5.3559 6.0318 6.0318 k = 0.0000 0.1879 0.1174 ( 8399 PWs) bands (ev): -21.2659 -21.2659 -17.4230 -17.4230 -17.2999 -17.2999 -16.1522 -16.1522 -15.1288 -15.1288 -12.6795 -12.6795 -12.6351 -12.6351 -12.0399 -12.0399 -10.6732 -10.6732 -10.1297 -10.1297 -8.5109 -8.5109 -6.7336 -6.7336 -6.5043 -6.5043 -6.3558 -6.3558 -5.6976 -5.6976 -5.5734 -5.5734 -5.0502 -5.0502 -4.9576 -4.9576 -4.6557 -4.6557 -4.5240 -4.5240 -4.2919 -4.2919 -4.1350 -4.1350 -3.9954 -3.9954 -3.8968 -3.8968 -3.4732 -3.4732 -3.2621 -3.2621 -3.1132 -3.1132 -2.9029 -2.9029 -2.6245 -2.6245 -2.5850 -2.5850 -2.2823 -2.2823 -0.3491 -0.3491 2.8494 2.8494 4.7179 4.7179 5.1142 5.1142 5.2740 5.2740 5.3650 5.3650 6.0566 6.0566 k = 0.0000 0.2023 0.1264 ( 8401 PWs) bands (ev): -21.2658 -21.2658 -17.4244 -17.4244 -17.2977 -17.2977 -16.1536 -16.1536 -15.1289 -15.1289 -12.6835 -12.6835 -12.6322 -12.6322 -12.0416 -12.0416 -10.6688 -10.6688 -10.1297 -10.1297 -8.5103 -8.5103 -6.7366 -6.7366 -6.4983 -6.4983 -6.3524 -6.3524 -5.6960 -5.6960 -5.5781 -5.5781 -5.0578 -5.0578 -4.9537 -4.9537 -4.6608 -4.6608 -4.5218 -4.5218 -4.2896 -4.2896 -4.1492 -4.1492 -4.0001 -4.0001 -3.8950 -3.8950 -3.4645 -3.4645 -3.2640 -3.2640 -3.0950 -3.0950 -2.8887 -2.8887 -2.6253 -2.6253 -2.5940 -2.5940 -2.2935 -2.2935 -0.3473 -0.3473 2.8462 2.8462 4.7062 4.7062 5.1088 5.1088 5.2550 5.2550 5.3748 5.3748 6.0834 6.0834 k = 0.0000 0.2168 0.1354 ( 8402 PWs) bands (ev): -21.2658 -21.2658 -17.4258 -17.4258 -17.2954 -17.2954 -16.1550 -16.1550 -15.1289 -15.1289 -12.6880 -12.6880 -12.6287 -12.6287 -12.0433 -12.0433 -10.6644 -10.6644 -10.1297 -10.1297 -8.5097 -8.5097 -6.7395 -6.7395 -6.4922 -6.4922 -6.3491 -6.3491 -5.6943 -5.6943 -5.5827 -5.5827 -5.0650 -5.0650 -4.9495 -4.9495 -4.6663 -4.6663 -4.5212 -4.5212 -4.2869 -4.2869 -4.1626 -4.1626 -4.0044 -4.0044 -3.8931 -3.8931 -3.4555 -3.4555 -3.2651 -3.2651 -3.0772 -3.0772 -2.8749 -2.8749 -2.6264 -2.6264 -2.6033 -2.6033 -2.3051 -2.3051 -0.3455 -0.3455 2.8427 2.8427 4.6954 4.6954 5.1024 5.1024 5.2360 5.2360 5.3850 5.3850 6.1120 6.1120 k = 0.0000 0.2312 0.1445 ( 8405 PWs) bands (ev): -21.2657 -21.2657 -17.4271 -17.4271 -17.2932 -17.2932 -16.1565 -16.1565 -15.1290 -15.1290 -12.6928 -12.6928 -12.6249 -12.6249 -12.0451 -12.0451 -10.6599 -10.6599 -10.1297 -10.1297 -8.5091 -8.5091 -6.7425 -6.7425 -6.4861 -6.4861 -6.3460 -6.3460 -5.6926 -5.6926 -5.5870 -5.5870 -5.0718 -5.0718 -4.9452 -4.9452 -4.6723 -4.6723 -4.5219 -4.5219 -4.2841 -4.2841 -4.1750 -4.1750 -4.0084 -4.0084 -3.8911 -3.8911 -3.4463 -3.4463 -3.2652 -3.2652 -3.0602 -3.0602 -2.8615 -2.8615 -2.6279 -2.6279 -2.6124 -2.6124 -2.3170 -2.3170 -0.3437 -0.3437 2.8391 2.8391 4.6856 4.6856 5.0953 5.0953 5.2172 5.2172 5.3953 5.3953 6.1424 6.1424 k = 0.0000 0.2457 0.1535 ( 8407 PWs) bands (ev): -21.2656 -21.2656 -17.4283 -17.4283 -17.2911 -17.2911 -16.1579 -16.1579 -15.1291 -15.1291 -12.6978 -12.6978 -12.6209 -12.6209 -12.0469 -12.0469 -10.6554 -10.6554 -10.1297 -10.1297 -8.5085 -8.5085 -6.7454 -6.7454 -6.4799 -6.4799 -6.3431 -6.3431 -5.6909 -5.6909 -5.5911 -5.5911 -5.0781 -5.0781 -4.9408 -4.9408 -4.6788 -4.6788 -4.5237 -4.5237 -4.2815 -4.2815 -4.1861 -4.1861 -4.0120 -4.0120 -3.8890 -3.8890 -3.4370 -3.4370 -3.2642 -3.2642 -3.0441 -3.0441 -2.8486 -2.8486 -2.6303 -2.6303 -2.6207 -2.6207 -2.3291 -2.3291 -0.3419 -0.3419 2.8354 2.8354 4.6766 4.6766 5.0876 5.0876 5.1987 5.1987 5.4056 5.4056 6.1746 6.1746 k = 0.0000 0.2601 0.1625 ( 8408 PWs) bands (ev): -21.2656 -21.2656 -17.4295 -17.4295 -17.2890 -17.2890 -16.1593 -16.1593 -15.1291 -15.1291 -12.7029 -12.7029 -12.6167 -12.6167 -12.0488 -12.0488 -10.6510 -10.6510 -10.1297 -10.1297 -8.5079 -8.5079 -6.7482 -6.7482 -6.4739 -6.4739 -6.3404 -6.3404 -5.6893 -5.6893 -5.5949 -5.5949 -5.0841 -5.0841 -4.9361 -4.9361 -4.6858 -4.6858 -4.5261 -4.5261 -4.2797 -4.2797 -4.1955 -4.1955 -4.0155 -4.0155 -3.8868 -3.8868 -3.4278 -3.4278 -3.2620 -3.2620 -3.0291 -3.0291 -2.8362 -2.8362 -2.6353 -2.6353 -2.6263 -2.6263 -2.3413 -2.3413 -0.3401 -0.3401 2.8316 2.8316 4.6687 4.6687 5.0797 5.0797 5.1809 5.1809 5.4157 5.4157 6.2084 6.2084 k = 0.0000 0.2746 0.1716 ( 8402 PWs) bands (ev): -21.2655 -21.2655 -17.4307 -17.4307 -17.2870 -17.2870 -16.1607 -16.1607 -15.1292 -15.1292 -12.7080 -12.7080 -12.6125 -12.6125 -12.0506 -12.0506 -10.6466 -10.6466 -10.1297 -10.1297 -8.5073 -8.5073 -6.7509 -6.7509 -6.4679 -6.4679 -6.3379 -6.3379 -5.6877 -5.6877 -5.5984 -5.5984 -5.0896 -5.0896 -4.9313 -4.9313 -4.6932 -4.6932 -4.5289 -4.5289 -4.2792 -4.2792 -4.2028 -4.2028 -4.0187 -4.0187 -3.8847 -3.8847 -3.4187 -3.4187 -3.2587 -3.2587 -3.0155 -3.0155 -2.8245 -2.8245 -2.6429 -2.6429 -2.6292 -2.6292 -2.3535 -2.3535 -0.3383 -0.3383 2.8277 2.8277 4.6616 4.6616 5.0716 5.0716 5.1638 5.1638 5.4254 5.4254 6.2436 6.2436 k = 0.0000 0.2890 0.1806 ( 8407 PWs) bands (ev): -21.2654 -21.2654 -17.4317 -17.4317 -17.2851 -17.2851 -16.1620 -16.1620 -15.1292 -15.1292 -12.7129 -12.7129 -12.6083 -12.6083 -12.0524 -12.0524 -10.6424 -10.6424 -10.1298 -10.1298 -8.5068 -8.5068 -6.7535 -6.7535 -6.4622 -6.4622 -6.3356 -6.3356 -5.6862 -5.6862 -5.6016 -5.6016 -5.0948 -5.0948 -4.9264 -4.9264 -4.7011 -4.7011 -4.5318 -4.5318 -4.2805 -4.2805 -4.2077 -4.2077 -4.0219 -4.0219 -3.8825 -3.8825 -3.4100 -3.4100 -3.2542 -3.2542 -3.0033 -3.0033 -2.8135 -2.8135 -2.6507 -2.6507 -2.6313 -2.6313 -2.3657 -2.3657 -0.3366 -0.3366 2.8238 2.8238 4.6555 4.6555 5.0635 5.0635 5.1476 5.1476 5.4346 5.4346 6.2802 6.2802 k = 0.0000 0.3035 0.1896 ( 8404 PWs) bands (ev): -21.2653 -21.2653 -17.4327 -17.4327 -17.2833 -17.2833 -16.1633 -16.1633 -15.1293 -15.1293 -12.7177 -12.7177 -12.6041 -12.6041 -12.0541 -12.0541 -10.6383 -10.6383 -10.1298 -10.1298 -8.5063 -8.5063 -6.7559 -6.7559 -6.4567 -6.4567 -6.3336 -6.3336 -5.6847 -5.6847 -5.6044 -5.6044 -5.0996 -5.0996 -4.9214 -4.9214 -4.7094 -4.7094 -4.5345 -4.5345 -4.2838 -4.2838 -4.2100 -4.2100 -4.0250 -4.0250 -3.8804 -3.8804 -3.4016 -3.4016 -3.2486 -3.2486 -2.9927 -2.9927 -2.8032 -2.8032 -2.6579 -2.6579 -2.6333 -2.6333 -2.3777 -2.3777 -0.3349 -0.3349 2.8200 2.8200 4.6502 4.6502 5.0555 5.0555 5.1325 5.1325 5.4431 5.4431 6.3179 6.3179 k = 0.0000 0.3179 0.1987 ( 8406 PWs) bands (ev): -21.2653 -21.2653 -17.4337 -17.4337 -17.2816 -17.2816 -16.1645 -16.1645 -15.1293 -15.1293 -12.7223 -12.7223 -12.6002 -12.6002 -12.0558 -12.0558 -10.6344 -10.6344 -10.1298 -10.1298 -8.5058 -8.5058 -6.7582 -6.7582 -6.4515 -6.4515 -6.3318 -6.3318 -5.6833 -5.6833 -5.6070 -5.6070 -5.1040 -5.1040 -4.9162 -4.9162 -4.7180 -4.7180 -4.5369 -4.5369 -4.2888 -4.2888 -4.2101 -4.2101 -4.0281 -4.0281 -3.8783 -3.8783 -3.3937 -3.3937 -3.2420 -3.2420 -2.9839 -2.9839 -2.7939 -2.7939 -2.6641 -2.6641 -2.6353 -2.6353 -2.3894 -2.3894 -0.3334 -0.3334 2.8163 2.8163 4.6457 4.6457 5.0478 5.0478 5.1185 5.1185 5.4510 5.4510 6.3565 6.3565 k = 0.0000 0.3324 0.2077 ( 8407 PWs) bands (ev): -21.2652 -21.2652 -17.4345 -17.4345 -17.2800 -17.2800 -16.1656 -16.1656 -15.1293 -15.1293 -12.7266 -12.7266 -12.5964 -12.5964 -12.0575 -12.0575 -10.6308 -10.6308 -10.1299 -10.1299 -8.5053 -8.5053 -6.7603 -6.7603 -6.4466 -6.4466 -6.3302 -6.3302 -5.6820 -5.6820 -5.6092 -5.6092 -5.1081 -5.1081 -4.9110 -4.9110 -4.7266 -4.7266 -4.5388 -4.5388 -4.2949 -4.2949 -4.2087 -4.2087 -4.0310 -4.0310 -3.8763 -3.8763 -3.3864 -3.3864 -3.2345 -3.2345 -2.9769 -2.9769 -2.7855 -2.7855 -2.6691 -2.6691 -2.6373 -2.6373 -2.4008 -2.4008 -0.3319 -0.3319 2.8127 2.8127 4.6419 4.6419 5.0403 5.0403 5.1059 5.1059 5.4580 5.4580 6.3957 6.3957 k = 0.0000 0.3468 0.2167 ( 8409 PWs) bands (ev): -21.2652 -21.2652 -17.4353 -17.4353 -17.2786 -17.2786 -16.1667 -16.1667 -15.1294 -15.1294 -12.7306 -12.7306 -12.5929 -12.5929 -12.0590 -12.0590 -10.6275 -10.6275 -10.1299 -10.1299 -8.5049 -8.5049 -6.7622 -6.7622 -6.4421 -6.4421 -6.3288 -6.3288 -5.6808 -5.6808 -5.6112 -5.6112 -5.1118 -5.1118 -4.9059 -4.9059 -4.7353 -4.7353 -4.5403 -4.5403 -4.3016 -4.3016 -4.2063 -4.2063 -4.0339 -4.0339 -3.8743 -3.8743 -3.3798 -3.3798 -3.2264 -3.2264 -2.9717 -2.9717 -2.7781 -2.7781 -2.6728 -2.6728 -2.6392 -2.6392 -2.4117 -2.4117 -0.3305 -0.3305 2.8093 2.8093 4.6387 4.6387 5.0332 5.0332 5.0948 5.0948 5.4643 5.4643 6.4351 6.4351 k = 0.0000 0.3613 0.2257 ( 8405 PWs) bands (ev): -21.2651 -21.2651 -17.4360 -17.4360 -17.2773 -17.2773 -16.1676 -16.1676 -15.1294 -15.1294 -12.7342 -12.7342 -12.5897 -12.5897 -12.0603 -12.0603 -10.6244 -10.6244 -10.1299 -10.1299 -8.5045 -8.5045 -6.7639 -6.7639 -6.4381 -6.4381 -6.3276 -6.3276 -5.6796 -5.6796 -5.6129 -5.6129 -5.1152 -5.1152 -4.9008 -4.9008 -4.7437 -4.7437 -4.5414 -4.5414 -4.3084 -4.3084 -4.2036 -4.2036 -4.0366 -4.0366 -3.8726 -3.8726 -3.3740 -3.3740 -3.2180 -3.2180 -2.9684 -2.9684 -2.7717 -2.7717 -2.6752 -2.6752 -2.6410 -2.6410 -2.4220 -2.4220 -0.3293 -0.3293 2.8062 2.8062 4.6361 4.6361 5.0266 5.0266 5.0851 5.0851 5.4698 5.4698 6.4743 6.4743 k = 0.0000 0.3757 0.2348 ( 8399 PWs) bands (ev): -21.2651 -21.2651 -17.4365 -17.4365 -17.2762 -17.2762 -16.1685 -16.1685 -15.1294 -15.1294 -12.7374 -12.7374 -12.5868 -12.5868 -12.0616 -12.0616 -10.6218 -10.6218 -10.1300 -10.1300 -8.5042 -8.5042 -6.7654 -6.7654 -6.4345 -6.4345 -6.3266 -6.3266 -5.6786 -5.6786 -5.6144 -5.6144 -5.1182 -5.1182 -4.8958 -4.8958 -4.7516 -4.7516 -4.5420 -4.5420 -4.3148 -4.3148 -4.2007 -4.2007 -4.0391 -4.0391 -3.8709 -3.8709 -3.3689 -3.3689 -3.2094 -3.2094 -2.9667 -2.9667 -2.7663 -2.7663 -2.6765 -2.6765 -2.6425 -2.6425 -2.4315 -2.4315 -0.3282 -0.3282 2.8034 2.8034 4.6340 4.6340 5.0206 5.0206 5.0769 5.0769 5.4745 5.4745 6.5126 6.5126 k = 0.0000 0.3902 0.2438 ( 8401 PWs) bands (ev): -21.2650 -21.2650 -17.4370 -17.4370 -17.2752 -17.2752 -16.1692 -16.1692 -15.1295 -15.1295 -12.7402 -12.7402 -12.5843 -12.5843 -12.0627 -12.0627 -10.6194 -10.6194 -10.1300 -10.1300 -8.5039 -8.5039 -6.7667 -6.7667 -6.4314 -6.4314 -6.3258 -6.3258 -5.6776 -5.6776 -5.6156 -5.6156 -5.1207 -5.1207 -4.8912 -4.8912 -4.7590 -4.7590 -4.5423 -4.5423 -4.3207 -4.3207 -4.1979 -4.1979 -4.0414 -4.0414 -3.8695 -3.8695 -3.3645 -3.3645 -3.2011 -3.2011 -2.9664 -2.9664 -2.7618 -2.7618 -2.6770 -2.6770 -2.6437 -2.6437 -2.4401 -2.4401 -0.3272 -0.3272 2.8010 2.8010 4.6324 4.6324 5.0152 5.0152 5.0701 5.0701 5.4784 5.4784 6.5494 6.5494 k = 0.0000 0.4046 0.2528 ( 8406 PWs) bands (ev): -21.2650 -21.2650 -17.4375 -17.4375 -17.2744 -17.2744 -16.1698 -16.1698 -15.1295 -15.1295 -12.7425 -12.7425 -12.5822 -12.5822 -12.0636 -12.0636 -10.6175 -10.6175 -10.1300 -10.1300 -8.5037 -8.5037 -6.7678 -6.7678 -6.4288 -6.4288 -6.3252 -6.3252 -5.6769 -5.6769 -5.6166 -5.6166 -5.1228 -5.1228 -4.8870 -4.8870 -4.7655 -4.7655 -4.5424 -4.5424 -4.3258 -4.3258 -4.1955 -4.1955 -4.0434 -4.0434 -3.8683 -3.8683 -3.3610 -3.3610 -3.1934 -3.1934 -2.9671 -2.9671 -2.7580 -2.7580 -2.6771 -2.6771 -2.6443 -2.6443 -2.4475 -2.4475 -0.3264 -0.3264 2.7989 2.7989 4.6311 4.6311 5.0105 5.0105 5.0647 5.0647 5.4816 5.4816 6.5834 6.5834 k = 0.0000 0.4191 0.2619 ( 8405 PWs) bands (ev): -21.2650 -21.2650 -17.4378 -17.4378 -17.2738 -17.2738 -16.1702 -16.1702 -15.1295 -15.1295 -12.7443 -12.7443 -12.5806 -12.5806 -12.0643 -12.0643 -10.6160 -10.6160 -10.1300 -10.1300 -8.5035 -8.5035 -6.7686 -6.7686 -6.4268 -6.4268 -6.3247 -6.3247 -5.6762 -5.6762 -5.6173 -5.6173 -5.1245 -5.1245 -4.8834 -4.8834 -4.7710 -4.7710 -4.5424 -4.5424 -4.3300 -4.3300 -4.1934 -4.1934 -4.0450 -4.0450 -3.8673 -3.8673 -3.3582 -3.3582 -3.1869 -3.1869 -2.9684 -2.9684 -2.7551 -2.7551 -2.6772 -2.6772 -2.6446 -2.6446 -2.4535 -2.4535 -0.3258 -0.3258 2.7973 2.7973 4.6302 4.6302 5.0068 5.0068 5.0607 5.0607 5.4840 5.4840 6.6135 6.6135 k = 0.0000 0.4335 0.2709 ( 8403 PWs) bands (ev): -21.2650 -21.2650 -17.4380 -17.4380 -17.2734 -17.2734 -16.1706 -16.1706 -15.1295 -15.1295 -12.7456 -12.7456 -12.5794 -12.5794 -12.0648 -12.0648 -10.6149 -10.6149 -10.1301 -10.1301 -8.5034 -8.5034 -6.7692 -6.7692 -6.4253 -6.4253 -6.3243 -6.3243 -5.6757 -5.6757 -5.6179 -5.6179 -5.1257 -5.1257 -4.8806 -4.8806 -4.7751 -4.7751 -4.5423 -4.5423 -4.3331 -4.3331 -4.1919 -4.1919 -4.0462 -4.0462 -3.8666 -3.8666 -3.3563 -3.3563 -3.1818 -3.1818 -2.9697 -2.9697 -2.7529 -2.7529 -2.6772 -2.6772 -2.6445 -2.6445 -2.4581 -2.4581 -0.3253 -0.3253 2.7961 2.7961 4.6296 4.6296 5.0040 5.0040 5.0579 5.0579 5.4856 5.4856 6.6376 6.6376 k = 0.0000 0.4480 0.2799 ( 8407 PWs) bands (ev): -21.2650 -21.2650 -17.4381 -17.4381 -17.2731 -17.2731 -16.1708 -16.1708 -15.1295 -15.1295 -12.7464 -12.7464 -12.5787 -12.5787 -12.0652 -12.0652 -10.6142 -10.6142 -10.1301 -10.1301 -8.5033 -8.5033 -6.7696 -6.7696 -6.4245 -6.4245 -6.3241 -6.3241 -5.6754 -5.6754 -5.6182 -5.6182 -5.1264 -5.1264 -4.8789 -4.8789 -4.7777 -4.7777 -4.5422 -4.5422 -4.3350 -4.3350 -4.1910 -4.1910 -4.0469 -4.0469 -3.8662 -3.8662 -3.3551 -3.3551 -3.1786 -3.1786 -2.9707 -2.9707 -2.7516 -2.7516 -2.6773 -2.6773 -2.6444 -2.6444 -2.4609 -2.4609 -0.3251 -0.3251 2.7953 2.7953 4.6292 4.6292 5.0023 5.0023 5.0562 5.0562 5.4866 5.4866 6.6535 6.6535 k = 0.0000 0.4624 0.2889 ( 8406 PWs) bands (ev): -21.2650 -21.2650 -17.4382 -17.4382 -17.2730 -17.2730 -16.1709 -16.1709 -15.1295 -15.1295 -12.7467 -12.7467 -12.5784 -12.5784 -12.0653 -12.0653 -10.6140 -10.6140 -10.1301 -10.1301 -8.5033 -8.5033 -6.7697 -6.7697 -6.4242 -6.4242 -6.3240 -6.3240 -5.6753 -5.6753 -5.6183 -5.6183 -5.1267 -5.1267 -4.8783 -4.8783 -4.7786 -4.7786 -4.5421 -4.5421 -4.3356 -4.3356 -4.1907 -4.1907 -4.0472 -4.0472 -3.8660 -3.8660 -3.3547 -3.3547 -3.1775 -3.1775 -2.9710 -2.9710 -2.7511 -2.7511 -2.6773 -2.6773 -2.6443 -2.6443 -2.4618 -2.4618 -0.3250 -0.3250 2.7951 2.7951 4.6291 4.6291 5.0017 5.0017 5.0557 5.0557 5.4870 5.4870 6.6592 6.6592 k = 0.5000 0.3021 0.2401 ( 8390 PWs) bands (ev): -21.2628 -21.2628 -17.4067 -17.4067 -17.3043 -17.3043 -16.1535 -16.1535 -15.0849 -15.0849 -12.8505 -12.8505 -12.6744 -12.6744 -12.0145 -12.0145 -10.5883 -10.5883 -10.1786 -10.1786 -8.5143 -8.5143 -6.8553 -6.8553 -6.4880 -6.4880 -6.2855 -6.2855 -5.7204 -5.7204 -5.5753 -5.5753 -4.8349 -4.8349 -4.8063 -4.8063 -4.6984 -4.6984 -4.3959 -4.3959 -4.1815 -4.1815 -4.0731 -4.0731 -4.0330 -4.0330 -3.7544 -3.7544 -3.3180 -3.3180 -3.2361 -3.2361 -3.1552 -3.1552 -3.0355 -3.0355 -2.8267 -2.8267 -2.7325 -2.7325 -2.5454 -2.5454 -0.2991 -0.2991 2.8757 2.8757 4.9959 4.9959 5.0243 5.0243 5.5003 5.5003 5.5129 5.5129 6.7501 6.7501 k = 0.4865 0.2939 0.2336 ( 8393 PWs) bands (ev): -21.2629 -21.2629 -17.4067 -17.4067 -17.3043 -17.3043 -16.1535 -16.1535 -15.0850 -15.0850 -12.8501 -12.8501 -12.6744 -12.6744 -12.0145 -12.0145 -10.5885 -10.5885 -10.1785 -10.1785 -8.5143 -8.5143 -6.8551 -6.8551 -6.4881 -6.4881 -6.2857 -6.2857 -5.7204 -5.7204 -5.5752 -5.5752 -4.8355 -4.8355 -4.8066 -4.8066 -4.6978 -4.6978 -4.3966 -4.3966 -4.1818 -4.1818 -4.0731 -4.0731 -4.0323 -4.0323 -3.7546 -3.7546 -3.3189 -3.3189 -3.2358 -3.2358 -3.1553 -3.1553 -3.0353 -3.0353 -2.8255 -2.8255 -2.7326 -2.7326 -2.5453 -2.5453 -0.2992 -0.2992 2.8757 2.8757 4.9955 4.9955 5.0244 5.0244 5.5001 5.5001 5.5125 5.5125 6.7452 6.7452 k = 0.4730 0.2857 0.2271 ( 8396 PWs) bands (ev): -21.2629 -21.2629 -17.4067 -17.4067 -17.3044 -17.3044 -16.1535 -16.1535 -15.0853 -15.0853 -12.8490 -12.8490 -12.6743 -12.6743 -12.0147 -12.0147 -10.5891 -10.5891 -10.1782 -10.1782 -8.5144 -8.5144 -6.8544 -6.8544 -6.4885 -6.4885 -6.2863 -6.2863 -5.7204 -5.7204 -5.5749 -5.5749 -4.8374 -4.8374 -4.8073 -4.8073 -4.6961 -4.6961 -4.3985 -4.3985 -4.1827 -4.1827 -4.0730 -4.0730 -4.0303 -4.0303 -3.7554 -3.7554 -3.3215 -3.3215 -3.2349 -3.2349 -3.1559 -3.1559 -3.0348 -3.0348 -2.8221 -2.8221 -2.7328 -2.7328 -2.5452 -2.5452 -0.2996 -0.2996 2.8756 2.8756 4.9943 4.9943 5.0247 5.0247 5.4994 5.4994 5.5115 5.5115 6.7317 6.7317 k = 0.4595 0.2776 0.2206 ( 8395 PWs) bands (ev): -21.2629 -21.2629 -17.4068 -17.4068 -17.3045 -17.3045 -16.1534 -16.1534 -15.0857 -15.0857 -12.8471 -12.8471 -12.6742 -12.6742 -12.0148 -12.0148 -10.5900 -10.5900 -10.1778 -10.1778 -8.5145 -8.5145 -6.8533 -6.8533 -6.4892 -6.4892 -6.2871 -6.2871 -5.7204 -5.7204 -5.5744 -5.5744 -4.8404 -4.8404 -4.8086 -4.8086 -4.6935 -4.6935 -4.4016 -4.4016 -4.1843 -4.1843 -4.0726 -4.0726 -4.0271 -4.0271 -3.7567 -3.7567 -3.3255 -3.3255 -3.2336 -3.2336 -3.1568 -3.1568 -3.0339 -3.0339 -2.8164 -2.8164 -2.7330 -2.7330 -2.5449 -2.5449 -0.3001 -0.3001 2.8756 2.8756 4.9922 4.9922 5.0252 5.0252 5.4982 5.4982 5.5096 5.5096 6.7124 6.7124 k = 0.4459 0.2694 0.2141 ( 8397 PWs) bands (ev): -21.2629 -21.2629 -17.4068 -17.4068 -17.3047 -17.3047 -16.1532 -16.1532 -15.0863 -15.0863 -12.8444 -12.8444 -12.6742 -12.6742 -12.0151 -12.0151 -10.5913 -10.5913 -10.1773 -10.1773 -8.5146 -8.5146 -6.8517 -6.8517 -6.4902 -6.4902 -6.2883 -6.2883 -5.7204 -5.7204 -5.5736 -5.5736 -4.8445 -4.8445 -4.8102 -4.8102 -4.6900 -4.6900 -4.4057 -4.4057 -4.1866 -4.1866 -4.0716 -4.0716 -4.0231 -4.0231 -3.7584 -3.7584 -3.3308 -3.3308 -3.2321 -3.2321 -3.1580 -3.1580 -3.0326 -3.0326 -2.8085 -2.8085 -2.7333 -2.7333 -2.5445 -2.5445 -0.3009 -0.3009 2.8755 2.8755 4.9895 4.9895 5.0257 5.0257 5.4967 5.4967 5.5072 5.5072 6.6894 6.6894 k = 0.4324 0.2612 0.2077 ( 8404 PWs) bands (ev): -21.2630 -21.2630 -17.4069 -17.4069 -17.3049 -17.3049 -16.1531 -16.1531 -15.0870 -15.0870 -12.8411 -12.8411 -12.6741 -12.6741 -12.0154 -12.0154 -10.5930 -10.5930 -10.1765 -10.1765 -8.5148 -8.5148 -6.8497 -6.8497 -6.4915 -6.4915 -6.2899 -6.2899 -5.7204 -5.7204 -5.5727 -5.5727 -4.8493 -4.8493 -4.8122 -4.8122 -4.6860 -4.6860 -4.4109 -4.4109 -4.1896 -4.1896 -4.0700 -4.0700 -4.0185 -4.0185 -3.7607 -3.7607 -3.3371 -3.3371 -3.2305 -3.2305 -3.1596 -3.1596 -3.0311 -3.0311 -2.7987 -2.7987 -2.7335 -2.7335 -2.5440 -2.5440 -0.3018 -0.3018 2.8754 2.8754 4.9863 4.9863 5.0263 5.0263 5.4947 5.4947 5.5040 5.5040 6.6640 6.6640 k = 0.4189 0.2531 0.2012 ( 8410 PWs) bands (ev): -21.2631 -21.2631 -17.4070 -17.4070 -17.3052 -17.3052 -16.1528 -16.1528 -15.0880 -15.0880 -12.8370 -12.8370 -12.6739 -12.6739 -12.0157 -12.0157 -10.5950 -10.5950 -10.1757 -10.1757 -8.5150 -8.5150 -6.8472 -6.8472 -6.4929 -6.4929 -6.2918 -6.2918 -5.7204 -5.7204 -5.5716 -5.5716 -4.8549 -4.8549 -4.8145 -4.8145 -4.6818 -4.6818 -4.4168 -4.4168 -4.1932 -4.1932 -4.0678 -4.0678 -4.0135 -4.0135 -3.7635 -3.7635 -3.3442 -3.3442 -3.2291 -3.2291 -3.1615 -3.1615 -3.0294 -3.0294 -2.7871 -2.7871 -2.7334 -2.7334 -2.5434 -2.5434 -0.3030 -0.3030 2.8752 2.8752 4.9825 4.9825 5.0268 5.0268 5.4923 5.4923 5.5003 5.5003 6.6367 6.6367 k = 0.4054 0.2449 0.1947 ( 8414 PWs) bands (ev): -21.2632 -21.2632 -17.4070 -17.4070 -17.3055 -17.3055 -16.1526 -16.1526 -15.0890 -15.0890 -12.8322 -12.8322 -12.6738 -12.6738 -12.0162 -12.0162 -10.5974 -10.5974 -10.1746 -10.1746 -8.5152 -8.5152 -6.8444 -6.8444 -6.4946 -6.4946 -6.2940 -6.2940 -5.7203 -5.7203 -5.5704 -5.5704 -4.8608 -4.8608 -4.8172 -4.8172 -4.6773 -4.6773 -4.4233 -4.4233 -4.1973 -4.1973 -4.0648 -4.0648 -4.0083 -4.0083 -3.7668 -3.7668 -3.3518 -3.3518 -3.2280 -3.2280 -3.1636 -3.1636 -3.0276 -3.0276 -2.7743 -2.7743 -2.7323 -2.7323 -2.5427 -2.5427 -0.3043 -0.3043 2.8751 2.8751 4.9783 4.9783 5.0274 5.0274 5.4895 5.4895 5.4962 5.4962 6.6080 6.6080 k = 0.3919 0.2368 0.1882 ( 8409 PWs) bands (ev): -21.2633 -21.2633 -17.4071 -17.4071 -17.3059 -17.3059 -16.1523 -16.1523 -15.0902 -15.0902 -12.8268 -12.8268 -12.6736 -12.6736 -12.0166 -12.0166 -10.6001 -10.6001 -10.1735 -10.1735 -8.5154 -8.5154 -6.8411 -6.8411 -6.4965 -6.4965 -6.2965 -6.2965 -5.7203 -5.7203 -5.5690 -5.5690 -4.8671 -4.8671 -4.8203 -4.8203 -4.6730 -4.6730 -4.4304 -4.4304 -4.2019 -4.2019 -4.0613 -4.0613 -4.0028 -4.0028 -3.7706 -3.7706 -3.3599 -3.3599 -3.2273 -3.2273 -3.1659 -3.1659 -3.0256 -3.0256 -2.7616 -2.7616 -2.7293 -2.7293 -2.5420 -2.5420 -0.3058 -0.3058 2.8749 2.8749 4.9737 4.9737 5.0279 5.0279 5.4860 5.4860 5.4919 5.4919 6.5782 6.5782 k = 0.3784 0.2286 0.1817 ( 8404 PWs) bands (ev): -21.2634 -21.2634 -17.4072 -17.4072 -17.3063 -17.3063 -16.1520 -16.1520 -15.0915 -15.0915 -12.8208 -12.8208 -12.6734 -12.6734 -12.0171 -12.0171 -10.6031 -10.6031 -10.1722 -10.1722 -8.5157 -8.5157 -6.8374 -6.8374 -6.4986 -6.4986 -6.2994 -6.2994 -5.7201 -5.7201 -5.5676 -5.5676 -4.8736 -4.8736 -4.8237 -4.8237 -4.6688 -4.6688 -4.4378 -4.4378 -4.2068 -4.2068 -4.0574 -4.0574 -3.9973 -3.9973 -3.7749 -3.7749 -3.3683 -3.3683 -3.2273 -3.2273 -3.1681 -3.1681 -3.0237 -3.0237 -2.7516 -2.7516 -2.7216 -2.7216 -2.5411 -2.5411 -0.3075 -0.3075 2.8747 2.8747 4.9688 4.9688 5.0285 5.0285 5.4817 5.4817 5.4878 5.4878 6.5474 6.5474 k = 0.3649 0.2204 0.1752 ( 8403 PWs) bands (ev): -21.2635 -21.2635 -17.4074 -17.4074 -17.3067 -17.3067 -16.1516 -16.1516 -15.0929 -15.0929 -12.8142 -12.8142 -12.6733 -12.6733 -12.0177 -12.0177 -10.6064 -10.6064 -10.1707 -10.1707 -8.5159 -8.5159 -6.8334 -6.8334 -6.5008 -6.5008 -6.3025 -6.3025 -5.7200 -5.7200 -5.5660 -5.5660 -4.8802 -4.8802 -4.8275 -4.8275 -4.6649 -4.6649 -4.4455 -4.4455 -4.2118 -4.2118 -4.0531 -4.0531 -3.9917 -3.9917 -3.7798 -3.7798 -3.3768 -3.3768 -3.2280 -3.2280 -3.1702 -3.1702 -3.0219 -3.0219 -2.7459 -2.7459 -2.7077 -2.7077 -2.5402 -2.5402 -0.3094 -0.3094 2.8746 2.8746 4.9636 4.9636 5.0290 5.0290 5.4763 5.4763 5.4841 5.4841 6.5158 6.5158 k = 0.3514 0.2123 0.1687 ( 8406 PWs) bands (ev): -21.2636 -21.2636 -17.4075 -17.4075 -17.3072 -17.3072 -16.1513 -16.1513 -15.0944 -15.0944 -12.8071 -12.8071 -12.6731 -12.6731 -12.0183 -12.0183 -10.6100 -10.6100 -10.1692 -10.1692 -8.5162 -8.5162 -6.8290 -6.8290 -6.5032 -6.5032 -6.3058 -6.3058 -5.7198 -5.7198 -5.5644 -5.5644 -4.8868 -4.8868 -4.8316 -4.8316 -4.6614 -4.6614 -4.4533 -4.4533 -4.2170 -4.2170 -4.0487 -4.0487 -3.9861 -3.9861 -3.7851 -3.7851 -3.3854 -3.3854 -3.2297 -3.2297 -3.1718 -3.1718 -3.0204 -3.0204 -2.7427 -2.7427 -2.6895 -2.6895 -2.5392 -2.5392 -0.3113 -0.3113 2.8743 2.8743 4.9583 4.9583 5.0296 5.0296 5.4701 5.4701 5.4806 5.4806 6.4837 6.4837 k = 0.3378 0.2041 0.1622 ( 8409 PWs) bands (ev): -21.2637 -21.2637 -17.4076 -17.4076 -17.3077 -17.3077 -16.1509 -16.1509 -15.0960 -15.0960 -12.7996 -12.7996 -12.6729 -12.6729 -12.0189 -12.0189 -10.6138 -10.6138 -10.1675 -10.1675 -8.5164 -8.5164 -6.8243 -6.8243 -6.5056 -6.5056 -6.3095 -6.3095 -5.7195 -5.7195 -5.5628 -5.5628 -4.8933 -4.8933 -4.8361 -4.8361 -4.6583 -4.6583 -4.4612 -4.4612 -4.2221 -4.2221 -4.0443 -4.0443 -3.9805 -3.9805 -3.7908 -3.7908 -3.3941 -3.3941 -3.2323 -3.2323 -3.1730 -3.1730 -3.0191 -3.0191 -2.7402 -2.7402 -2.6689 -2.6689 -2.5381 -2.5381 -0.3135 -0.3135 2.8741 2.8741 4.9527 4.9527 5.0302 5.0302 5.4634 5.4634 5.4773 5.4773 6.4512 6.4512 k = 0.3243 0.1959 0.1557 ( 8414 PWs) bands (ev): -21.2638 -21.2638 -17.4078 -17.4078 -17.3083 -17.3083 -16.1504 -16.1504 -15.0977 -15.0977 -12.7916 -12.7916 -12.6728 -12.6728 -12.0195 -12.0195 -10.6179 -10.6179 -10.1658 -10.1658 -8.5166 -8.5166 -6.8193 -6.8193 -6.5082 -6.5082 -6.3133 -6.3133 -5.7193 -5.7193 -5.5611 -5.5611 -4.8997 -4.8997 -4.8410 -4.8410 -4.6556 -4.6556 -4.4691 -4.4691 -4.2272 -4.2272 -4.0398 -4.0398 -3.9750 -3.9750 -3.7970 -3.7970 -3.4026 -3.4026 -3.2358 -3.2358 -3.1737 -3.1737 -3.0183 -3.0183 -2.7376 -2.7376 -2.6468 -2.6468 -2.5369 -2.5369 -0.3157 -0.3157 2.8739 2.8739 4.9471 4.9471 5.0309 5.0309 5.4563 5.4563 5.4740 5.4740 6.4184 6.4184 k = 0.3108 0.1878 0.1493 ( 8406 PWs) bands (ev): -21.2640 -21.2640 -17.4079 -17.4079 -17.3088 -17.3088 -16.1500 -16.1500 -15.0995 -15.0995 -12.7832 -12.7832 -12.6726 -12.6726 -12.0201 -12.0201 -10.6222 -10.6222 -10.1640 -10.1640 -8.5168 -8.5168 -6.8140 -6.8140 -6.5108 -6.5108 -6.3172 -6.3172 -5.7189 -5.7189 -5.5594 -5.5594 -4.9061 -4.9061 -4.8462 -4.8462 -4.6533 -4.6533 -4.4768 -4.4768 -4.2322 -4.2322 -4.0356 -4.0356 -3.9695 -3.9695 -3.8036 -3.8036 -3.4111 -3.4111 -3.2402 -3.2402 -3.1738 -3.1738 -3.0179 -3.0179 -2.7345 -2.7345 -2.6237 -2.6237 -2.5355 -2.5355 -0.3180 -0.3180 2.8736 2.8736 4.9414 4.9414 5.0317 5.0317 5.4490 5.4490 5.4708 5.4708 6.3855 6.3855 k = 0.2973 0.1796 0.1428 ( 8404 PWs) bands (ev): -21.2641 -21.2641 -17.4080 -17.4080 -17.3094 -17.3094 -16.1495 -16.1495 -15.1013 -15.1013 -12.7746 -12.7746 -12.6725 -12.6725 -12.0208 -12.0208 -10.6267 -10.6267 -10.1621 -10.1621 -8.5169 -8.5169 -6.8084 -6.8084 -6.5134 -6.5134 -6.3214 -6.3214 -5.7185 -5.7185 -5.5577 -5.5577 -4.9122 -4.9122 -4.8517 -4.8517 -4.6515 -4.6515 -4.4845 -4.4845 -4.2370 -4.2370 -4.0315 -4.0315 -3.9641 -3.9641 -3.8105 -3.8105 -3.4194 -3.4194 -3.2453 -3.2453 -3.1735 -3.1735 -3.0181 -3.0181 -2.7309 -2.7309 -2.5999 -2.5999 -2.5339 -2.5339 -0.3204 -0.3204 2.8734 2.8734 4.9357 4.9357 5.0327 5.0327 5.4414 5.4414 5.4676 5.4676 6.3526 6.3526 k = 0.2838 0.1714 0.1363 ( 8403 PWs) bands (ev): -21.2643 -21.2643 -17.4082 -17.4082 -17.3100 -17.3100 -16.1491 -16.1491 -15.1031 -15.1031 -12.7657 -12.7657 -12.6724 -12.6724 -12.0214 -12.0214 -10.6314 -10.6314 -10.1601 -10.1601 -8.5171 -8.5171 -6.8027 -6.8027 -6.5160 -6.5160 -6.3256 -6.3256 -5.7181 -5.7181 -5.5560 -5.5560 -4.9182 -4.9182 -4.8574 -4.8574 -4.6500 -4.6500 -4.4920 -4.4920 -4.2416 -4.2416 -4.0276 -4.0276 -3.9589 -3.9589 -3.8177 -3.8177 -3.4275 -3.4275 -3.2509 -3.2509 -3.1729 -3.1729 -3.0187 -3.0187 -2.7267 -2.7267 -2.5762 -2.5762 -2.5316 -2.5316 -0.3228 -0.3228 2.8732 2.8732 4.9301 4.9301 5.0338 5.0338 5.4337 5.4337 5.4645 5.4645 6.3199 6.3199 k = 0.2703 0.1633 0.1298 ( 8405 PWs) bands (ev): -21.2644 -21.2644 -17.4084 -17.4084 -17.3106 -17.3106 -16.1486 -16.1486 -15.1049 -15.1049 -12.7567 -12.7567 -12.6723 -12.6723 -12.0220 -12.0220 -10.6362 -10.6362 -10.1581 -10.1581 -8.5172 -8.5172 -6.7967 -6.7967 -6.5187 -6.5187 -6.3299 -6.3299 -5.7176 -5.7176 -5.5544 -5.5544 -4.9241 -4.9241 -4.8634 -4.8634 -4.6489 -4.6489 -4.4994 -4.4994 -4.2461 -4.2461 -4.0241 -4.0241 -3.9537 -3.9537 -3.8251 -3.8251 -3.4355 -3.4355 -3.2569 -3.2569 -3.1719 -3.1719 -3.0199 -3.0199 -2.7218 -2.7218 -2.5544 -2.5544 -2.5269 -2.5269 -0.3253 -0.3253 2.8729 2.8729 4.9245 4.9245 5.0350 5.0350 5.4259 5.4259 5.4614 5.4614 6.2875 6.2875 k = 0.2568 0.1551 0.1233 ( 8410 PWs) bands (ev): -21.2646 -21.2646 -17.4085 -17.4085 -17.3113 -17.3113 -16.1481 -16.1481 -15.1068 -15.1068 -12.7475 -12.7475 -12.6722 -12.6722 -12.0226 -12.0226 -10.6411 -10.6411 -10.1560 -10.1560 -8.5172 -8.5172 -6.7907 -6.7907 -6.5213 -6.5213 -6.3343 -6.3343 -5.7171 -5.7171 -5.5527 -5.5527 -4.9298 -4.9298 -4.8696 -4.8696 -4.6481 -4.6481 -4.5066 -4.5066 -4.2504 -4.2504 -4.0209 -4.0209 -3.9487 -3.9487 -3.8326 -3.8326 -3.4432 -3.4432 -3.2631 -3.2631 -3.1708 -3.1708 -3.0216 -3.0216 -2.7164 -2.7164 -2.5406 -2.5406 -2.5140 -2.5140 -0.3279 -0.3279 2.8727 2.8727 4.9190 4.9190 5.0365 5.0365 5.4181 5.4181 5.4584 5.4584 6.2555 6.2555 k = 0.2432 0.1469 0.1168 ( 8408 PWs) bands (ev): -21.2647 -21.2647 -17.4087 -17.4087 -17.3119 -17.3119 -16.1476 -16.1476 -15.1086 -15.1086 -12.7384 -12.7384 -12.6720 -12.6720 -12.0232 -12.0232 -10.6460 -10.6460 -10.1540 -10.1540 -8.5172 -8.5172 -6.7845 -6.7845 -6.5239 -6.5239 -6.3386 -6.3386 -5.7166 -5.7166 -5.5511 -5.5511 -4.9353 -4.9353 -4.8759 -4.8759 -4.6475 -4.6475 -4.5137 -4.5137 -4.2545 -4.2545 -4.0181 -4.0181 -3.9439 -3.9439 -3.8402 -3.8402 -3.4508 -3.4508 -3.2693 -3.2693 -3.1695 -3.1695 -3.0238 -3.0238 -2.7104 -2.7104 -2.5356 -2.5356 -2.4922 -2.4922 -0.3305 -0.3305 2.8724 2.8724 4.9137 4.9137 5.0382 5.0382 5.4104 5.4104 5.4555 5.4555 6.2241 6.2241 k = 0.2297 0.1388 0.1103 ( 8408 PWs) bands (ev): -21.2649 -21.2649 -17.4088 -17.4088 -17.3125 -17.3125 -16.1471 -16.1471 -15.1104 -15.1104 -12.7294 -12.7294 -12.6718 -12.6718 -12.0238 -12.0238 -10.6510 -10.6510 -10.1519 -10.1519 -8.5172 -8.5172 -6.7783 -6.7783 -6.5264 -6.5264 -6.3430 -6.3430 -5.7160 -5.7160 -5.5494 -5.5494 -4.9407 -4.9407 -4.8823 -4.8823 -4.6470 -4.6470 -4.5206 -4.5206 -4.2585 -4.2585 -4.0156 -4.0156 -3.9393 -3.9393 -3.8477 -3.8477 -3.4581 -3.4581 -3.2756 -3.2756 -3.1682 -3.1682 -3.0263 -3.0263 -2.7040 -2.7040 -2.5332 -2.5332 -2.4679 -2.4679 -0.3331 -0.3331 2.8722 2.8722 4.9086 4.9086 5.0401 5.0401 5.4027 5.4027 5.4528 5.4528 6.1934 6.1934 k = 0.2162 0.1306 0.1038 ( 8408 PWs) bands (ev): -21.2650 -21.2650 -17.4090 -17.4090 -17.3131 -17.3131 -16.1466 -16.1466 -15.1122 -15.1122 -12.7205 -12.7205 -12.6715 -12.6715 -12.0243 -12.0243 -10.6560 -10.6560 -10.1498 -10.1498 -8.5172 -8.5172 -6.7720 -6.7720 -6.5288 -6.5288 -6.3473 -6.3473 -5.7155 -5.7155 -5.5478 -5.5478 -4.9459 -4.9459 -4.8886 -4.8886 -4.6466 -4.6466 -4.5273 -4.5273 -4.2624 -4.2624 -4.0135 -4.0135 -3.9349 -3.9349 -3.8550 -3.8550 -3.4652 -3.4652 -3.2817 -3.2817 -3.1667 -3.1667 -3.0291 -3.0291 -2.6973 -2.6973 -2.5315 -2.5315 -2.4431 -2.4431 -0.3357 -0.3357 2.8719 2.8719 4.9036 4.9036 5.0422 5.0422 5.3952 5.3952 5.4501 5.4501 6.1635 6.1635 k = 0.2027 0.1225 0.0973 ( 8408 PWs) bands (ev): -21.2652 -21.2652 -17.4092 -17.4092 -17.3137 -17.3137 -16.1461 -16.1461 -15.1140 -15.1140 -12.7121 -12.7121 -12.6710 -12.6710 -12.0248 -12.0248 -10.6609 -10.6609 -10.1478 -10.1478 -8.5172 -8.5172 -6.7658 -6.7658 -6.5312 -6.5312 -6.3515 -6.3515 -5.7149 -5.7149 -5.5462 -5.5462 -4.9509 -4.9509 -4.8950 -4.8950 -4.6463 -4.6463 -4.5339 -4.5339 -4.2661 -4.2661 -4.0118 -4.0118 -3.9308 -3.9308 -3.8621 -3.8621 -3.4720 -3.4720 -3.2876 -3.2876 -3.1653 -3.1653 -3.0321 -3.0321 -2.6903 -2.6903 -2.5301 -2.5301 -2.4185 -2.4185 -0.3383 -0.3383 2.8717 2.8717 4.8990 4.8990 5.0445 5.0445 5.3878 5.3878 5.4476 5.4476 6.1345 6.1345 k = 0.1892 0.1143 0.0908 ( 8408 PWs) bands (ev): -21.2653 -21.2653 -17.4093 -17.4093 -17.3143 -17.3143 -16.1456 -16.1456 -15.1156 -15.1156 -12.7042 -12.7042 -12.6701 -12.6701 -12.0253 -12.0253 -10.6658 -10.6658 -10.1458 -10.1458 -8.5171 -8.5171 -6.7597 -6.7597 -6.5334 -6.5334 -6.3556 -6.3556 -5.7144 -5.7144 -5.5446 -5.5446 -4.9558 -4.9558 -4.9012 -4.9012 -4.6460 -4.6460 -4.5404 -4.5404 -4.2697 -4.2697 -4.0105 -4.0105 -3.9269 -3.9269 -3.8688 -3.8688 -3.4786 -3.4786 -3.2933 -3.2933 -3.1639 -3.1639 -3.0352 -3.0352 -2.6833 -2.6833 -2.5289 -2.5289 -2.3943 -2.3943 -0.3408 -0.3408 2.8715 2.8715 4.8945 4.8945 5.0470 5.0470 5.3806 5.3806 5.4452 5.4452 6.1066 6.1066 k = 0.1757 0.1061 0.0844 ( 8412 PWs) bands (ev): -21.2655 -21.2655 -17.4095 -17.4095 -17.3149 -17.3149 -16.1451 -16.1451 -15.1172 -15.1172 -12.6971 -12.6971 -12.6687 -12.6687 -12.0257 -12.0257 -10.6705 -10.6705 -10.1439 -10.1439 -8.5170 -8.5170 -6.7537 -6.7537 -6.5355 -6.5355 -6.3595 -6.3595 -5.7139 -5.7139 -5.5431 -5.5431 -4.9605 -4.9605 -4.9072 -4.9072 -4.6455 -4.6455 -4.5468 -4.5468 -4.2732 -4.2732 -4.0095 -4.0095 -3.9235 -3.9235 -3.8751 -3.8751 -3.4850 -3.4850 -3.2986 -3.2986 -3.1625 -3.1625 -3.0384 -3.0384 -2.6762 -2.6762 -2.5278 -2.5278 -2.3708 -2.3708 -0.3433 -0.3433 2.8713 2.8713 4.8904 4.8904 5.0497 5.0497 5.3736 5.3736 5.4430 5.4430 6.0797 6.0797 k = 0.1622 0.0980 0.0779 ( 8403 PWs) bands (ev): -21.2656 -21.2656 -17.4096 -17.4096 -17.3154 -17.3154 -16.1447 -16.1447 -15.1188 -15.1188 -12.6913 -12.6913 -12.6664 -12.6664 -12.0261 -12.0261 -10.6751 -10.6751 -10.1420 -10.1420 -8.5168 -8.5168 -6.7479 -6.7479 -6.5375 -6.5375 -6.3633 -6.3633 -5.7134 -5.7134 -5.5415 -5.5415 -4.9650 -4.9650 -4.9129 -4.9129 -4.6450 -4.6450 -4.5531 -4.5531 -4.2766 -4.2766 -4.0089 -4.0089 -3.9204 -3.9204 -3.8808 -3.8808 -3.4910 -3.4910 -3.3036 -3.3036 -3.1611 -3.1611 -3.0415 -3.0415 -2.6693 -2.6693 -2.5268 -2.5268 -2.3482 -2.3482 -0.3458 -0.3458 2.8710 2.8710 4.8866 4.8866 5.0525 5.0525 5.3669 5.3669 5.4409 5.4409 6.0541 6.0541 k = 0.1486 0.0898 0.0714 ( 8405 PWs) bands (ev): -21.2657 -21.2657 -17.4097 -17.4097 -17.3159 -17.3159 -16.1442 -16.1442 -15.1202 -15.1202 -12.6871 -12.6871 -12.6629 -12.6629 -12.0265 -12.0265 -10.6795 -10.6795 -10.1402 -10.1402 -8.5167 -8.5167 -6.7423 -6.7423 -6.5393 -6.5393 -6.3669 -6.3669 -5.7129 -5.7129 -5.5400 -5.5400 -4.9694 -4.9694 -4.9183 -4.9183 -4.6444 -4.6444 -4.5593 -4.5593 -4.2798 -4.2798 -4.0086 -4.0086 -3.9179 -3.9179 -3.8858 -3.8858 -3.4968 -3.4968 -3.3083 -3.3083 -3.1599 -3.1599 -3.0445 -3.0445 -2.6625 -2.6625 -2.5259 -2.5259 -2.3266 -2.3266 -0.3481 -0.3481 2.8708 2.8708 4.8830 4.8830 5.0554 5.0554 5.3605 5.3605 5.4390 5.4390 6.0299 6.0299 k = 0.1351 0.0816 0.0649 ( 8400 PWs) bands (ev): -21.2658 -21.2658 -17.4098 -17.4098 -17.3164 -17.3164 -16.1438 -16.1438 -15.1216 -15.1216 -12.6844 -12.6844 -12.6584 -12.6584 -12.0268 -12.0268 -10.6837 -10.6837 -10.1386 -10.1386 -8.5165 -8.5165 -6.7370 -6.7370 -6.5410 -6.5410 -6.3703 -6.3703 -5.7125 -5.7125 -5.5385 -5.5385 -4.9736 -4.9736 -4.9233 -4.9233 -4.6435 -4.6435 -4.5654 -4.5654 -4.2828 -4.2828 -4.0086 -4.0086 -3.9160 -3.9160 -3.8898 -3.8898 -3.5022 -3.5022 -3.3125 -3.3125 -3.1587 -3.1587 -3.0474 -3.0474 -2.6561 -2.6561 -2.5250 -2.5250 -2.3063 -2.3063 -0.3503 -0.3503 2.8706 2.8706 4.8798 4.8798 5.0584 5.0584 5.3545 5.3545 5.4373 5.4373 6.0073 6.0073 k = 0.1216 0.0735 0.0584 ( 8406 PWs) bands (ev): -21.2660 -21.2660 -17.4100 -17.4100 -17.3169 -17.3169 -16.1435 -16.1435 -15.1228 -15.1228 -12.6828 -12.6828 -12.6533 -12.6533 -12.0271 -12.0271 -10.6876 -10.6876 -10.1370 -10.1370 -8.5164 -8.5164 -6.7320 -6.7320 -6.5425 -6.5425 -6.3735 -6.3735 -5.7122 -5.7122 -5.5371 -5.5371 -4.9775 -4.9775 -4.9279 -4.9279 -4.6425 -4.6425 -4.5714 -4.5714 -4.2856 -4.2856 -4.0089 -4.0089 -3.9150 -3.9150 -3.8927 -3.8927 -3.5072 -3.5072 -3.3163 -3.3163 -3.1575 -3.1575 -3.0500 -3.0500 -2.6500 -2.6500 -2.5242 -2.5242 -2.2874 -2.2874 -0.3525 -0.3525 2.8705 2.8705 4.8769 4.8769 5.0614 5.0614 5.3488 5.3488 5.4357 5.4357 5.9862 5.9862 k = 0.1081 0.0653 0.0519 ( 8409 PWs) bands (ev): -21.2661 -21.2661 -17.4101 -17.4101 -17.3173 -17.3173 -16.1431 -16.1431 -15.1239 -15.1239 -12.6819 -12.6819 -12.6480 -12.6480 -12.0273 -12.0273 -10.6912 -10.6912 -10.1356 -10.1356 -8.5163 -8.5163 -6.7274 -6.7274 -6.5438 -6.5438 -6.3764 -6.3764 -5.7119 -5.7119 -5.5357 -5.5357 -4.9812 -4.9812 -4.9320 -4.9320 -4.6412 -4.6412 -4.5772 -4.5772 -4.2882 -4.2882 -4.0093 -4.0093 -3.9150 -3.9150 -3.8944 -3.8944 -3.5118 -3.5118 -3.3197 -3.3197 -3.1565 -3.1565 -3.0525 -3.0525 -2.6444 -2.6444 -2.5235 -2.5235 -2.2700 -2.2700 -0.3544 -0.3544 2.8703 2.8703 4.8743 4.8743 5.0643 5.0643 5.3436 5.3436 5.4344 5.4344 5.9669 5.9669 k = 0.0946 0.0571 0.0454 ( 8398 PWs) bands (ev): -21.2661 -21.2661 -17.4102 -17.4102 -17.3177 -17.3177 -16.1428 -16.1428 -15.1249 -15.1249 -12.6814 -12.6814 -12.6430 -12.6430 -12.0275 -12.0275 -10.6944 -10.6944 -10.1343 -10.1343 -8.5161 -8.5161 -6.7232 -6.7232 -6.5450 -6.5450 -6.3790 -6.3790 -5.7116 -5.7116 -5.5344 -5.5344 -4.9845 -4.9845 -4.9356 -4.9356 -4.6397 -4.6397 -4.5829 -4.5829 -4.2906 -4.2906 -4.0099 -4.0099 -3.9157 -3.9157 -3.8950 -3.8950 -3.5160 -3.5160 -3.3227 -3.3227 -3.1556 -3.1556 -3.0547 -3.0547 -2.6393 -2.6393 -2.5228 -2.5228 -2.2542 -2.2542 -0.3562 -0.3562 2.8701 2.8701 4.8720 4.8720 5.0671 5.0671 5.3388 5.3388 5.4333 5.4333 5.9495 5.9495 k = 0.0811 0.0490 0.0389 ( 8402 PWs) bands (ev): -21.2662 -21.2662 -17.4102 -17.4102 -17.3180 -17.3180 -16.1425 -16.1425 -15.1258 -15.1258 -12.6812 -12.6812 -12.6384 -12.6384 -12.0277 -12.0277 -10.6973 -10.6973 -10.1331 -10.1331 -8.5160 -8.5160 -6.7195 -6.7195 -6.5460 -6.5460 -6.3813 -6.3813 -5.7114 -5.7114 -5.5333 -5.5333 -4.9876 -4.9876 -4.9388 -4.9388 -4.6379 -4.6379 -4.5884 -4.5884 -4.2927 -4.2927 -4.0105 -4.0105 -3.9170 -3.9170 -3.8948 -3.8948 -3.5198 -3.5198 -3.3253 -3.3253 -3.1548 -3.1548 -3.0566 -3.0566 -2.6348 -2.6348 -2.5223 -2.5223 -2.2403 -2.2403 -0.3578 -0.3578 2.8700 2.8700 4.8701 4.8701 5.0698 5.0698 5.3346 5.3346 5.4323 5.4323 5.9340 5.9340 k = 0.0676 0.0408 0.0324 ( 8395 PWs) bands (ev): -21.2663 -21.2663 -17.4103 -17.4103 -17.3183 -17.3183 -16.1423 -16.1423 -15.1266 -15.1266 -12.6810 -12.6810 -12.6343 -12.6343 -12.0278 -12.0278 -10.6998 -10.6998 -10.1322 -10.1322 -8.5159 -8.5159 -6.7163 -6.7163 -6.5469 -6.5469 -6.3833 -6.3833 -5.7112 -5.7112 -5.5322 -5.5322 -4.9903 -4.9903 -4.9414 -4.9414 -4.6359 -4.6359 -4.5937 -4.5937 -4.2945 -4.2945 -4.0112 -4.0112 -3.9185 -3.9185 -3.8943 -3.8943 -3.5230 -3.5230 -3.3274 -3.3274 -3.1541 -3.1541 -3.0582 -3.0582 -2.6309 -2.6309 -2.5218 -2.5218 -2.2283 -2.2283 -0.3592 -0.3592 2.8699 2.8699 4.8684 4.8684 5.0721 5.0721 5.3309 5.3309 5.4315 5.4315 5.9208 5.9208 k = 0.0541 0.0327 0.0260 ( 8398 PWs) bands (ev): -21.2663 -21.2663 -17.4104 -17.4104 -17.3185 -17.3185 -16.1421 -16.1421 -15.1272 -15.1272 -12.6810 -12.6810 -12.6309 -12.6309 -12.0280 -12.0280 -10.7019 -10.7019 -10.1313 -10.1313 -8.5157 -8.5157 -6.7136 -6.7136 -6.5476 -6.5476 -6.3850 -6.3850 -5.7111 -5.7111 -5.5313 -5.5313 -4.9925 -4.9925 -4.9436 -4.9436 -4.6338 -4.6338 -4.5986 -4.5986 -4.2960 -4.2960 -4.0118 -4.0118 -3.9198 -3.9198 -3.8937 -3.8937 -3.5256 -3.5256 -3.3292 -3.3292 -3.1536 -3.1536 -3.0596 -3.0596 -2.6276 -2.6276 -2.5214 -2.5214 -2.2184 -2.2184 -0.3604 -0.3604 2.8698 2.8698 4.8671 4.8671 5.0742 5.0742 5.3278 5.3278 5.4309 5.4309 5.9097 5.9097 k = 0.0405 0.0245 0.0195 ( 8394 PWs) bands (ev): -21.2664 -21.2664 -17.4104 -17.4104 -17.3187 -17.3187 -16.1419 -16.1419 -15.1277 -15.1277 -12.6810 -12.6810 -12.6282 -12.6282 -12.0280 -12.0280 -10.7035 -10.7035 -10.1307 -10.1307 -8.5157 -8.5157 -6.7115 -6.7115 -6.5481 -6.5481 -6.3863 -6.3863 -5.7110 -5.7110 -5.5306 -5.5306 -4.9943 -4.9943 -4.9452 -4.9452 -4.6314 -4.6314 -4.6031 -4.6031 -4.2972 -4.2972 -4.0123 -4.0123 -3.9209 -3.9209 -3.8931 -3.8931 -3.5278 -3.5278 -3.3306 -3.3306 -3.1531 -3.1531 -3.0606 -3.0606 -2.6251 -2.6251 -2.5211 -2.5211 -2.2106 -2.2106 -0.3613 -0.3613 2.8697 2.8697 4.8660 4.8660 5.0759 5.0759 5.3253 5.3253 5.4304 5.4304 5.9010 5.9010 k = 0.0270 0.0163 0.0130 ( 8395 PWs) bands (ev): -21.2664 -21.2664 -17.4104 -17.4104 -17.3188 -17.3188 -16.1418 -16.1418 -15.1281 -15.1281 -12.6810 -12.6810 -12.6262 -12.6262 -12.0281 -12.0281 -10.7047 -10.7047 -10.1302 -10.1302 -8.5156 -8.5156 -6.7100 -6.7100 -6.5485 -6.5485 -6.3873 -6.3873 -5.7109 -5.7109 -5.5301 -5.5301 -4.9956 -4.9956 -4.9464 -4.9464 -4.6291 -4.6291 -4.6070 -4.6070 -4.2980 -4.2980 -4.0128 -4.0128 -3.9218 -3.9218 -3.8926 -3.8926 -3.5293 -3.5293 -3.3316 -3.3316 -3.1528 -3.1528 -3.0614 -3.0614 -2.6232 -2.6232 -2.5209 -2.5209 -2.2049 -2.2049 -0.3620 -0.3620 2.8697 2.8697 4.8653 4.8653 5.0771 5.0771 5.3235 5.3235 5.4301 5.4301 5.8948 5.8948 k = 0.0135 0.0082 0.0065 ( 8395 PWs) bands (ev): -21.2664 -21.2664 -17.4105 -17.4105 -17.3189 -17.3189 -16.1418 -16.1418 -15.1283 -15.1283 -12.6810 -12.6810 -12.6250 -12.6250 -12.0282 -12.0282 -10.7054 -10.7054 -10.1300 -10.1300 -8.5156 -8.5156 -6.7090 -6.7090 -6.5487 -6.5487 -6.3879 -6.3879 -5.7109 -5.7109 -5.5298 -5.5298 -4.9964 -4.9964 -4.9471 -4.9471 -4.6272 -4.6272 -4.6099 -4.6099 -4.2985 -4.2985 -4.0130 -4.0130 -3.9223 -3.9223 -3.8923 -3.8923 -3.5302 -3.5302 -3.3321 -3.3321 -3.1526 -3.1526 -3.0618 -3.0618 -2.6221 -2.6221 -2.5207 -2.5207 -2.2015 -2.2015 -0.3624 -0.3624 2.8696 2.8696 4.8648 4.8648 5.0779 5.0779 5.3225 5.3225 5.4299 5.4299 5.8910 5.8910 k = 0.0000 0.0000 0.0000 ( 8389 PWs) bands (ev): -21.2664 -21.2664 -17.4105 -17.4105 -17.3189 -17.3189 -16.1418 -16.1418 -15.1283 -15.1283 -12.6809 -12.6809 -12.6246 -12.6246 -12.0282 -12.0282 -10.7056 -10.7056 -10.1299 -10.1299 -8.5155 -8.5155 -6.7087 -6.7087 -6.5488 -6.5488 -6.3881 -6.3881 -5.7109 -5.7109 -5.5297 -5.5297 -4.9967 -4.9967 -4.9473 -4.9473 -4.6263 -4.6263 -4.6110 -4.6110 -4.2987 -4.2987 -4.0131 -4.0131 -3.9225 -3.9225 -3.8922 -3.8922 -3.5305 -3.5305 -3.3323 -3.3323 -3.1526 -3.1526 -3.0620 -3.0620 -2.6217 -2.6217 -2.5207 -2.5207 -2.2003 -2.2003 -0.3625 -0.3625 2.8696 2.8696 4.8647 4.8647 5.0781 5.0781 5.3221 5.3221 5.4299 5.4299 5.8897 5.8897 Writing output data file H3C2N.save init_run : 1.02s CPU 0.69s WALL ( 1 calls) electrons : 341.04s CPU 251.97s WALL ( 1 calls) Called by init_run: wfcinit : 0.05s CPU 0.05s WALL ( 1 calls) potinit : 0.18s CPU 0.12s WALL ( 1 calls) Called by electrons: c_bands : 341.03s CPU 251.96s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.07s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.18s CPU 0.20s WALL ( 228 calls) cegterg : 277.71s CPU 216.09s WALL ( 256 calls) Called by sum_band: Called by *egterg: h_psi : 210.14s CPU 133.33s WALL ( 4636 calls) s_psi : 12.78s CPU 9.50s WALL ( 4636 calls) g_psi : 0.50s CPU 0.41s WALL ( 4152 calls) cdiaghg : 70.24s CPU 67.29s WALL ( 4380 calls) cegterg:over : 14.10s CPU 13.04s WALL ( 4152 calls) cegterg:upda : 12.32s CPU 11.21s WALL ( 4152 calls) cegterg:last : 5.64s CPU 5.66s WALL ( 712 calls) cdiaghg:chol : 4.01s CPU 3.91s WALL ( 4380 calls) cdiaghg:inve : 2.86s CPU 2.79s WALL ( 4380 calls) cdiaghg:para : 4.72s CPU 4.82s WALL ( 8760 calls) Called by h_psi: h_psi:vloc : 184.68s CPU 114.42s WALL ( 4636 calls) h_psi:vnl : 24.90s CPU 18.42s WALL ( 4636 calls) add_vuspsi : 11.71s CPU 8.47s WALL ( 4636 calls) General routines calbec : 13.16s CPU 9.94s WALL ( 4636 calls) fft : 0.06s CPU 0.03s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 172.63s CPU 105.43s WALL ( 748112 calls) interpolate : 0.03s CPU 0.01s WALL ( 4 calls) davcio : 0.45s CPU 1.54s WALL ( 456 calls) Parallel routines fft_scatter : 57.36s CPU 41.66s WALL ( 748135 calls) PWSCF : 6m 7.18s CPU 4m58.91s WALL This run was terminated on: 0:32: 9 4Aug2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=