Program PWSCF v.5.4.0 starts on 12Feb2017 at 4:43:27 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: ./ZnSiP2.save/ file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: 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 86 56 15 2202 1155 175 Max 87 57 16 2205 1169 179 Sum 3127 2033 575 79333 41815 6403 bravais-lattice index = 14 lattice parameter (alat) = 12.2145 a.u. unit-cell volume = 1025.5979 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 45.0000 Ry charge density cutoff = 276.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.214548 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.651330 celldm(5)= -0.651330 celldm(6)= 0.302661 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.302661 0.953098 0.000000 ) a(3) = ( -0.651330 -0.476549 0.590483 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.317554 0.846765 ) b(2) = ( 0.000000 1.049210 0.846765 ) b(3) = ( 0.000000 0.000000 1.693530 ) PseudoPot. # 1 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 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 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Zn read from file: /users/gautes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 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 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Si 4.00 28.08550 Si( 1.00) Zn 12.00 65.40900 Zn( 1.00) P 5.00 30.97380 P( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) 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 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) f =( 0.2500000 ) ( 0 1 0 ) ( -0.2500000 ) ( -1 -1 -1 ) ( 0.5000000 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.1513303 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.4765492 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2952413 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E s 2 inv. 180 deg rotation - cart. axis [0,0,1] -s -2 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 290 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 2) = ( 0.0000000 0.0000000 0.0201611), wk = 0.0034483 k( 3) = ( 0.0000000 0.0000000 0.0403221), wk = 0.0034483 k( 4) = ( 0.0000000 0.0000000 0.0604832), wk = 0.0034483 k( 5) = ( 0.0000000 0.0000000 0.0806443), wk = 0.0034483 k( 6) = ( 0.0000000 0.0000000 0.1008054), wk = 0.0034483 k( 7) = ( 0.0000000 0.0000000 0.1209664), wk = 0.0034483 k( 8) = ( 0.0000000 0.0000000 0.1411275), wk = 0.0034483 k( 9) = ( 0.0000000 0.0000000 0.1612886), wk = 0.0034483 k( 10) = ( 0.0000000 0.0000000 0.1814496), wk = 0.0034483 k( 11) = ( 0.0000000 0.0000000 0.2016107), wk = 0.0034483 k( 12) = ( 0.0000000 0.0000000 0.2217718), wk = 0.0034483 k( 13) = ( 0.0000000 0.0000000 0.2419328), wk = 0.0034483 k( 14) = ( 0.0000000 0.0000000 0.2620939), wk = 0.0034483 k( 15) = ( 0.0000000 0.0000000 0.2822550), wk = 0.0034483 k( 16) = ( 0.0000000 0.0000000 0.3024161), wk = 0.0034483 k( 17) = ( 0.0000000 0.0000000 0.3225771), wk = 0.0034483 k( 18) = ( 0.0000000 0.0000000 0.3427382), wk = 0.0034483 k( 19) = ( 0.0000000 0.0000000 0.3628993), wk = 0.0034483 k( 20) = ( 0.0000000 0.0000000 0.3830604), wk = 0.0034483 k( 21) = ( 0.0000000 0.0000000 0.4032214), wk = 0.0034483 k( 22) = ( 0.0000000 0.0000000 0.4233825), wk = 0.0034483 k( 23) = ( 0.0000000 0.0000000 0.4435436), wk = 0.0034483 k( 24) = ( 0.0000000 0.0000000 0.4637046), wk = 0.0034483 k( 25) = ( 0.0000000 0.0000000 0.4838657), wk = 0.0034483 k( 26) = ( 0.0000000 0.0000000 0.5040268), wk = 0.0034483 k( 27) = ( 0.0000000 0.0000000 0.5241878), wk = 0.0034483 k( 28) = ( 0.0000000 0.0000000 0.5443489), wk = 0.0034483 k( 29) = ( 0.0000000 0.0000000 0.5645100), wk = 0.0034483 k( 30) = ( 0.0000000 0.0000000 0.5846711), wk = 0.0034483 k( 31) = ( 0.0000000 0.0000000 0.6048321), wk = 0.0034483 k( 32) = ( 0.0000000 0.0000000 0.6249932), wk = 0.0034483 k( 33) = ( 0.0000000 0.0000000 0.6451543), wk = 0.0034483 k( 34) = ( 0.0000000 0.0000000 0.6653153), wk = 0.0034483 k( 35) = ( 0.0000000 0.0000000 0.6854764), wk = 0.0034483 k( 36) = ( 0.0000000 0.0000000 0.7056375), wk = 0.0034483 k( 37) = ( 0.0000000 0.0000000 0.7257985), wk = 0.0034483 k( 38) = ( 0.0000000 0.0000000 0.7459596), wk = 0.0034483 k( 39) = ( 0.0000000 0.0000000 0.7661207), wk = 0.0034483 k( 40) = ( 0.0000000 0.0000000 0.7862818), wk = 0.0034483 k( 41) = ( 0.0000000 0.0000000 0.8064428), wk = 0.0034483 k( 42) = ( 0.0000000 0.0000000 0.8266039), wk = 0.0034483 k( 43) = ( 0.0000000 0.0000000 0.8467650), wk = 0.0034483 k( 44) = ( 0.0000000 0.0000000 0.8467650), wk = 0.0034483 k( 45) = ( -0.0111525 0.0152428 0.8467650), wk = 0.0034483 k( 46) = ( -0.0223050 0.0304856 0.8467650), wk = 0.0034483 k( 47) = ( -0.0334575 0.0457284 0.8467650), wk = 0.0034483 k( 48) = ( -0.0446100 0.0609713 0.8467650), wk = 0.0034483 k( 49) = ( -0.0557624 0.0762141 0.8467650), wk = 0.0034483 k( 50) = ( -0.0669149 0.0914569 0.8467650), wk = 0.0034483 k( 51) = ( -0.0780674 0.1066997 0.8467650), wk = 0.0034483 k( 52) = ( -0.0892199 0.1219425 0.8467650), wk = 0.0034483 k( 53) = ( -0.1003724 0.1371854 0.8467650), wk = 0.0034483 k( 54) = ( -0.1115249 0.1524282 0.8467650), wk = 0.0034483 k( 55) = ( -0.1226774 0.1676710 0.8467650), wk = 0.0034483 k( 56) = ( -0.1338299 0.1829138 0.8467650), wk = 0.0034483 k( 57) = ( -0.1338299 0.1829138 0.8467650), wk = 0.0034483 k( 58) = ( -0.1421519 0.1942881 0.8326713), wk = 0.0034483 k( 59) = ( -0.1504739 0.2056624 0.8185777), wk = 0.0034483 k( 60) = ( -0.1587960 0.2170366 0.8044840), wk = 0.0034483 k( 61) = ( -0.1671180 0.2284109 0.7903904), wk = 0.0034483 k( 62) = ( -0.1754401 0.2397852 0.7762968), wk = 0.0034483 k( 63) = ( -0.1837621 0.2511595 0.7622031), wk = 0.0034483 k( 64) = ( -0.1920842 0.2625337 0.7481095), wk = 0.0034483 k( 65) = ( -0.2004062 0.2739080 0.7340159), wk = 0.0034483 k( 66) = ( -0.2087283 0.2852823 0.7199222), wk = 0.0034483 k( 67) = ( -0.2170503 0.2966566 0.7058286), wk = 0.0034483 k( 68) = ( -0.2253724 0.3080309 0.6917349), wk = 0.0034483 k( 69) = ( -0.2336944 0.3194051 0.6776413), wk = 0.0034483 k( 70) = ( -0.2420165 0.3307794 0.6635477), wk = 0.0034483 k( 71) = ( -0.2503385 0.3421537 0.6494540), wk = 0.0034483 k( 72) = ( -0.2586606 0.3535280 0.6353604), wk = 0.0034483 k( 73) = ( -0.2669826 0.3649022 0.6212668), wk = 0.0034483 k( 74) = ( -0.2753047 0.3762765 0.6071731), wk = 0.0034483 k( 75) = ( -0.2836267 0.3876508 0.5930795), wk = 0.0034483 k( 76) = ( -0.2919488 0.3990251 0.5789858), wk = 0.0034483 k( 77) = ( -0.3002708 0.4103993 0.5648922), wk = 0.0034483 k( 78) = ( -0.3085929 0.4217736 0.5507985), wk = 0.0034483 k( 79) = ( -0.3169149 0.4331479 0.5367049), wk = 0.0034483 k( 80) = ( -0.3169149 0.4331479 0.5367049), wk = 0.0034483 k( 81) = ( -0.3083497 0.4214412 0.5221994), wk = 0.0034483 k( 82) = ( -0.2997844 0.4097345 0.5076938), wk = 0.0034483 k( 83) = ( -0.2912191 0.3980278 0.4931883), wk = 0.0034483 k( 84) = ( -0.2826538 0.3863211 0.4786828), wk = 0.0034483 k( 85) = ( -0.2740886 0.3746144 0.4641772), wk = 0.0034483 k( 86) = ( -0.2655233 0.3629077 0.4496717), wk = 0.0034483 k( 87) = ( -0.2569580 0.3512010 0.4351662), wk = 0.0034483 k( 88) = ( -0.2483928 0.3394943 0.4206606), wk = 0.0034483 k( 89) = ( -0.2398275 0.3277876 0.4061551), wk = 0.0034483 k( 90) = ( -0.2312622 0.3160809 0.3916495), wk = 0.0034483 k( 91) = ( -0.2226970 0.3043742 0.3771440), wk = 0.0034483 k( 92) = ( -0.2141317 0.2926675 0.3626385), wk = 0.0034483 k( 93) = ( -0.2055664 0.2809608 0.3481329), wk = 0.0034483 k( 94) = ( -0.1970012 0.2692541 0.3336274), wk = 0.0034483 k( 95) = ( -0.1884359 0.2575474 0.3191218), wk = 0.0034483 k( 96) = ( -0.1798706 0.2458407 0.3046163), wk = 0.0034483 k( 97) = ( -0.1713054 0.2341340 0.2901108), wk = 0.0034483 k( 98) = ( -0.1627401 0.2224273 0.2756052), wk = 0.0034483 k( 99) = ( -0.1541748 0.2107206 0.2610997), wk = 0.0034483 k( 100) = ( -0.1456096 0.1990139 0.2465941), wk = 0.0034483 k( 101) = ( -0.1370443 0.1873072 0.2320886), wk = 0.0034483 k( 102) = ( -0.1284790 0.1756005 0.2175831), wk = 0.0034483 k( 103) = ( -0.1199137 0.1638938 0.2030775), wk = 0.0034483 k( 104) = ( -0.1113485 0.1521871 0.1885720), wk = 0.0034483 k( 105) = ( -0.1027832 0.1404804 0.1740665), wk = 0.0034483 k( 106) = ( -0.0942179 0.1287737 0.1595609), wk = 0.0034483 k( 107) = ( -0.0856527 0.1170670 0.1450554), wk = 0.0034483 k( 108) = ( -0.0770874 0.1053603 0.1305498), wk = 0.0034483 k( 109) = ( -0.0685222 0.0936536 0.1160443), wk = 0.0034483 k( 110) = ( -0.0599569 0.0819469 0.1015388), wk = 0.0034483 k( 111) = ( -0.0513916 0.0702402 0.0870332), wk = 0.0034483 k( 112) = ( -0.0428263 0.0585335 0.0725277), wk = 0.0034483 k( 113) = ( -0.0342611 0.0468268 0.0580221), wk = 0.0034483 k( 114) = ( -0.0256958 0.0351201 0.0435166), wk = 0.0034483 k( 115) = ( -0.0171305 0.0234134 0.0290111), wk = 0.0034483 k( 116) = ( -0.0085653 0.0117067 0.0145055), wk = 0.0034483 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 119) = ( 0.0161290 0.0118009 -0.0000000), wk = 0.0034483 k( 120) = ( 0.0322581 0.0236018 -0.0000000), wk = 0.0034483 k( 121) = ( 0.0483871 0.0354027 -0.0000000), wk = 0.0034483 k( 122) = ( 0.0645161 0.0472036 -0.0000000), wk = 0.0034483 k( 123) = ( 0.0806452 0.0590045 -0.0000000), wk = 0.0034483 k( 124) = ( 0.0967742 0.0708053 -0.0000000), wk = 0.0034483 k( 125) = ( 0.1129032 0.0826062 -0.0000000), wk = 0.0034483 k( 126) = ( 0.1290323 0.0944071 -0.0000000), wk = 0.0034483 k( 127) = ( 0.1451613 0.1062080 -0.0000000), wk = 0.0034483 k( 128) = ( 0.1612903 0.1180089 -0.0000000), wk = 0.0034483 k( 129) = ( 0.1774194 0.1298098 -0.0000000), wk = 0.0034483 k( 130) = ( 0.1935484 0.1416107 -0.0000000), wk = 0.0034483 k( 131) = ( 0.2096774 0.1534116 -0.0000000), wk = 0.0034483 k( 132) = ( 0.2258064 0.1652125 -0.0000000), wk = 0.0034483 k( 133) = ( 0.2419355 0.1770134 -0.0000000), wk = 0.0034483 k( 134) = ( 0.2580645 0.1888143 -0.0000000), wk = 0.0034483 k( 135) = ( 0.2741936 0.2006151 -0.0000000), wk = 0.0034483 k( 136) = ( 0.2903226 0.2124160 -0.0000000), wk = 0.0034483 k( 137) = ( 0.3064516 0.2242169 -0.0000000), wk = 0.0034483 k( 138) = ( 0.3225807 0.2360178 -0.0000000), wk = 0.0034483 k( 139) = ( 0.3387097 0.2478187 -0.0000000), wk = 0.0034483 k( 140) = ( 0.3548387 0.2596196 -0.0000000), wk = 0.0034483 k( 141) = ( 0.3709677 0.2714205 -0.0000000), wk = 0.0034483 k( 142) = ( 0.3870968 0.2832214 -0.0000000), wk = 0.0034483 k( 143) = ( 0.4032258 0.2950223 -0.0000000), wk = 0.0034483 k( 144) = ( 0.4193548 0.3068232 -0.0000000), wk = 0.0034483 k( 145) = ( 0.4354839 0.3186241 -0.0000000), wk = 0.0034483 k( 146) = ( 0.4516129 0.3304249 -0.0000000), wk = 0.0034483 k( 147) = ( 0.4677419 0.3422258 -0.0000000), wk = 0.0034483 k( 148) = ( 0.4838710 0.3540267 -0.0000000), wk = 0.0034483 k( 149) = ( 0.5000000 0.3658276 -0.0000000), wk = 0.0034483 k( 150) = ( 0.5000000 0.3658276 -0.0000000), wk = 0.0034483 k( 151) = ( 0.4916779 0.3772019 0.0140936), wk = 0.0034483 k( 152) = ( 0.4833559 0.3885762 0.0281873), wk = 0.0034483 k( 153) = ( 0.4750338 0.3999505 0.0422809), wk = 0.0034483 k( 154) = ( 0.4667118 0.4113247 0.0563746), wk = 0.0034483 k( 155) = ( 0.4583898 0.4226990 0.0704682), wk = 0.0034483 k( 156) = ( 0.4500677 0.4340733 0.0845618), wk = 0.0034483 k( 157) = ( 0.4417457 0.4454476 0.0986555), wk = 0.0034483 k( 158) = ( 0.4334236 0.4568218 0.1127491), wk = 0.0034483 k( 159) = ( 0.4251016 0.4681961 0.1268428), wk = 0.0034483 k( 160) = ( 0.4167795 0.4795704 0.1409364), wk = 0.0034483 k( 161) = ( 0.4084575 0.4909447 0.1550300), wk = 0.0034483 k( 162) = ( 0.4001354 0.5023189 0.1691237), wk = 0.0034483 k( 163) = ( 0.3918134 0.5136932 0.1832173), wk = 0.0034483 k( 164) = ( 0.3834913 0.5250675 0.1973109), wk = 0.0034483 k( 165) = ( 0.3751693 0.5364418 0.2114046), wk = 0.0034483 k( 166) = ( 0.3668472 0.5478160 0.2254982), wk = 0.0034483 k( 167) = ( 0.3585252 0.5591903 0.2395919), wk = 0.0034483 k( 168) = ( 0.3502031 0.5705646 0.2536855), wk = 0.0034483 k( 169) = ( 0.3418811 0.5819389 0.2677791), wk = 0.0034483 k( 170) = ( 0.3335590 0.5933132 0.2818728), wk = 0.0034483 k( 171) = ( 0.3252370 0.6046874 0.2959664), wk = 0.0034483 k( 172) = ( 0.3169149 0.6160617 0.3100601), wk = 0.0034483 k( 173) = ( 0.3169149 0.6160617 0.3100601), wk = 0.0034483 k( 174) = ( 0.2982729 0.6106819 0.3167261), wk = 0.0034483 k( 175) = ( 0.2796308 0.6053021 0.3233921), wk = 0.0034483 k( 176) = ( 0.2609888 0.5999223 0.3300581), wk = 0.0034483 k( 177) = ( 0.2423467 0.5945424 0.3367242), wk = 0.0034483 k( 178) = ( 0.2237047 0.5891626 0.3433902), wk = 0.0034483 k( 179) = ( 0.2050626 0.5837828 0.3500562), wk = 0.0034483 k( 180) = ( 0.1864205 0.5784030 0.3567222), wk = 0.0034483 k( 181) = ( 0.1677785 0.5730232 0.3633883), wk = 0.0034483 k( 182) = ( 0.1491364 0.5676433 0.3700543), wk = 0.0034483 k( 183) = ( 0.1304944 0.5622635 0.3767203), wk = 0.0034483 k( 184) = ( 0.1118523 0.5568837 0.3833863), wk = 0.0034483 k( 185) = ( 0.0932103 0.5515039 0.3900524), wk = 0.0034483 k( 186) = ( 0.0745682 0.5461241 0.3967184), wk = 0.0034483 k( 187) = ( 0.0559262 0.5407442 0.4033844), wk = 0.0034483 k( 188) = ( 0.0372841 0.5353644 0.4100504), wk = 0.0034483 k( 189) = ( 0.0186421 0.5299846 0.4167165), wk = 0.0034483 k( 190) = ( 0.0000000 0.5246048 0.4233825), wk = 0.0034483 k( 191) = ( 0.0000000 0.5246048 0.4233825), wk = 0.0034483 k( 192) = ( 0.0083333 0.5132151 0.4374952), wk = 0.0034483 k( 193) = ( 0.0166667 0.5018254 0.4516080), wk = 0.0034483 k( 194) = ( 0.0250000 0.4904357 0.4657207), wk = 0.0034483 k( 195) = ( 0.0333333 0.4790460 0.4798335), wk = 0.0034483 k( 196) = ( 0.0416667 0.4676563 0.4939462), wk = 0.0034483 k( 197) = ( 0.0500000 0.4562666 0.5080590), wk = 0.0034483 k( 198) = ( 0.0583333 0.4448769 0.5221717), wk = 0.0034483 k( 199) = ( 0.0666667 0.4334872 0.5362845), wk = 0.0034483 k( 200) = ( 0.0750000 0.4220975 0.5503972), wk = 0.0034483 k( 201) = ( 0.0833333 0.4107078 0.5645100), wk = 0.0034483 k( 202) = ( 0.0916667 0.3993181 0.5786227), wk = 0.0034483 k( 203) = ( 0.1000000 0.3879284 0.5927355), wk = 0.0034483 k( 204) = ( 0.1083333 0.3765387 0.6068482), wk = 0.0034483 k( 205) = ( 0.1166667 0.3651490 0.6209610), wk = 0.0034483 k( 206) = ( 0.1250000 0.3537593 0.6350737), wk = 0.0034483 k( 207) = ( 0.1333333 0.3423696 0.6491865), wk = 0.0034483 k( 208) = ( 0.1416667 0.3309799 0.6632992), wk = 0.0034483 k( 209) = ( 0.1500000 0.3195902 0.6774120), wk = 0.0034483 k( 210) = ( 0.1583333 0.3082005 0.6915247), wk = 0.0034483 k( 211) = ( 0.1666667 0.2968108 0.7056375), wk = 0.0034483 k( 212) = ( 0.1750000 0.2854211 0.7197502), wk = 0.0034483 k( 213) = ( 0.1833333 0.2740314 0.7338630), wk = 0.0034483 k( 214) = ( 0.1916667 0.2626417 0.7479757), wk = 0.0034483 k( 215) = ( 0.2000000 0.2512520 0.7620885), wk = 0.0034483 k( 216) = ( 0.2083333 0.2398623 0.7762012), wk = 0.0034483 k( 217) = ( 0.2166667 0.2284726 0.7903140), wk = 0.0034483 k( 218) = ( 0.2250000 0.2170829 0.8044267), wk = 0.0034483 k( 219) = ( 0.2333333 0.2056932 0.8185395), wk = 0.0034483 k( 220) = ( 0.2416667 0.1943035 0.8326522), wk = 0.0034483 k( 221) = ( 0.2500000 0.1829138 0.8467650), wk = 0.0034483 k( 222) = ( 0.2500000 0.1829138 0.8467650), wk = 0.0034483 k( 223) = ( 0.2631579 0.1925408 0.8348363), wk = 0.0034483 k( 224) = ( 0.2763158 0.2021679 0.8229076), wk = 0.0034483 k( 225) = ( 0.2894737 0.2117949 0.8109789), wk = 0.0034483 k( 226) = ( 0.3026316 0.2214220 0.7990503), wk = 0.0034483 k( 227) = ( 0.3157895 0.2310490 0.7871216), wk = 0.0034483 k( 228) = ( 0.3289474 0.2406761 0.7751929), wk = 0.0034483 k( 229) = ( 0.3421053 0.2503031 0.7632642), wk = 0.0034483 k( 230) = ( 0.3552632 0.2599302 0.7513356), wk = 0.0034483 k( 231) = ( 0.3684211 0.2695572 0.7394069), wk = 0.0034483 k( 232) = ( 0.3815789 0.2791842 0.7274782), wk = 0.0034483 k( 233) = ( 0.3947368 0.2888113 0.7155495), wk = 0.0034483 k( 234) = ( 0.4078947 0.2984383 0.7036209), wk = 0.0034483 k( 235) = ( 0.4210526 0.3080654 0.6916922), wk = 0.0034483 k( 236) = ( 0.4342105 0.3176924 0.6797635), wk = 0.0034483 k( 237) = ( 0.4473684 0.3273194 0.6678348), wk = 0.0034483 k( 238) = ( 0.4605263 0.3369465 0.6559062), wk = 0.0034483 k( 239) = ( 0.4736842 0.3465735 0.6439775), wk = 0.0034483 k( 240) = ( 0.4868421 0.3562006 0.6320488), wk = 0.0034483 k( 241) = ( 0.5000000 0.3658276 0.6201201), wk = 0.0034483 k( 242) = ( 0.5000000 0.3658276 0.6201201), wk = 0.0034483 k( 243) = ( 0.5000000 0.3658276 0.6001162), wk = 0.0034483 k( 244) = ( 0.5000000 0.3658276 0.5801124), wk = 0.0034483 k( 245) = ( 0.5000000 0.3658276 0.5601085), wk = 0.0034483 k( 246) = ( 0.5000000 0.3658276 0.5401046), wk = 0.0034483 k( 247) = ( 0.5000000 0.3658276 0.5201007), wk = 0.0034483 k( 248) = ( 0.5000000 0.3658276 0.5000969), wk = 0.0034483 k( 249) = ( 0.5000000 0.3658276 0.4800930), wk = 0.0034483 k( 250) = ( 0.5000000 0.3658276 0.4600891), wk = 0.0034483 k( 251) = ( 0.5000000 0.3658276 0.4400852), wk = 0.0034483 k( 252) = ( 0.5000000 0.3658276 0.4200814), wk = 0.0034483 k( 253) = ( 0.5000000 0.3658276 0.4000775), wk = 0.0034483 k( 254) = ( 0.5000000 0.3658276 0.3800736), wk = 0.0034483 k( 255) = ( 0.5000000 0.3658276 0.3600698), wk = 0.0034483 k( 256) = ( 0.5000000 0.3658276 0.3400659), wk = 0.0034483 k( 257) = ( 0.5000000 0.3658276 0.3200620), wk = 0.0034483 k( 258) = ( 0.5000000 0.3658276 0.3000581), wk = 0.0034483 k( 259) = ( 0.5000000 0.3658276 0.2800543), wk = 0.0034483 k( 260) = ( 0.5000000 0.3658276 0.2600504), wk = 0.0034483 k( 261) = ( 0.5000000 0.3658276 0.2400465), wk = 0.0034483 k( 262) = ( 0.5000000 0.3658276 0.2200426), wk = 0.0034483 k( 263) = ( 0.5000000 0.3658276 0.2000387), wk = 0.0034483 k( 264) = ( 0.5000000 0.3658276 0.1800349), wk = 0.0034483 k( 265) = ( 0.5000000 0.3658276 0.1600310), wk = 0.0034483 k( 266) = ( 0.5000000 0.3658276 0.1400271), wk = 0.0034483 k( 267) = ( 0.5000000 0.3658276 0.1200232), wk = 0.0034483 k( 268) = ( 0.5000000 0.3658276 0.1000194), wk = 0.0034483 k( 269) = ( 0.5000000 0.3658276 0.0800155), wk = 0.0034483 k( 270) = ( 0.5000000 0.3658276 0.0600116), wk = 0.0034483 k( 271) = ( 0.5000000 0.3658276 0.0400077), wk = 0.0034483 k( 272) = ( 0.5000000 0.3658276 0.0200039), wk = 0.0034483 k( 273) = ( 0.5000000 0.3658276 -0.0000000), wk = 0.0034483 k( 274) = ( 0.0000000 0.0000000 0.8467650), wk = 0.0034483 k( 275) = ( 0.0156250 0.0114321 0.8467650), wk = 0.0034483 k( 276) = ( 0.0312500 0.0228642 0.8467650), wk = 0.0034483 k( 277) = ( 0.0468750 0.0342963 0.8467650), wk = 0.0034483 k( 278) = ( 0.0625000 0.0457285 0.8467650), wk = 0.0034483 k( 279) = ( 0.0781250 0.0571606 0.8467650), wk = 0.0034483 k( 280) = ( 0.0937500 0.0685927 0.8467650), wk = 0.0034483 k( 281) = ( 0.1093750 0.0800248 0.8467650), wk = 0.0034483 k( 282) = ( 0.1250000 0.0914569 0.8467650), wk = 0.0034483 k( 283) = ( 0.1406250 0.1028890 0.8467650), wk = 0.0034483 k( 284) = ( 0.1562500 0.1143211 0.8467650), wk = 0.0034483 k( 285) = ( 0.1718750 0.1257532 0.8467650), wk = 0.0034483 k( 286) = ( 0.1875000 0.1371854 0.8467650), wk = 0.0034483 k( 287) = ( 0.2031250 0.1486175 0.8467650), wk = 0.0034483 k( 288) = ( 0.2187500 0.1600496 0.8467650), wk = 0.0034483 k( 289) = ( 0.2343750 0.1714817 0.8467650), wk = 0.0034483 k( 290) = ( 0.2500000 0.1829138 0.8467650), wk = 0.0034483 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 2) = ( 0.0000000 0.0000000 0.0119048), wk = 0.0034483 k( 3) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0034483 k( 4) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0034483 k( 5) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0034483 k( 6) = ( 0.0000000 0.0000000 0.0595238), wk = 0.0034483 k( 7) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0034483 k( 8) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0034483 k( 9) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0034483 k( 10) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0034483 k( 11) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0034483 k( 12) = ( 0.0000000 0.0000000 0.1309524), wk = 0.0034483 k( 13) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0034483 k( 14) = ( 0.0000000 0.0000000 0.1547619), wk = 0.0034483 k( 15) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0034483 k( 16) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0034483 k( 17) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0034483 k( 18) = ( 0.0000000 0.0000000 0.2023810), wk = 0.0034483 k( 19) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0034483 k( 20) = ( 0.0000000 0.0000000 0.2261905), wk = 0.0034483 k( 21) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0034483 k( 22) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0034483 k( 23) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0034483 k( 24) = ( 0.0000000 0.0000000 0.2738095), wk = 0.0034483 k( 25) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0034483 k( 26) = ( 0.0000000 0.0000000 0.2976191), wk = 0.0034483 k( 27) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0034483 k( 28) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0034483 k( 29) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0034483 k( 30) = ( 0.0000000 0.0000000 0.3452381), wk = 0.0034483 k( 31) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0034483 k( 32) = ( 0.0000000 0.0000000 0.3690476), wk = 0.0034483 k( 33) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0034483 k( 34) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0034483 k( 35) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0034483 k( 36) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0034483 k( 37) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0034483 k( 38) = ( 0.0000000 0.0000000 0.4404762), wk = 0.0034483 k( 39) = ( 0.0000000 0.0000000 0.4523810), wk = 0.0034483 k( 40) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0034483 k( 41) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0034483 k( 42) = ( 0.0000000 0.0000000 0.4880952), wk = 0.0034483 k( 43) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034483 k( 44) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034483 k( 45) = ( -0.0111525 0.0111525 0.5000000), wk = 0.0034483 k( 46) = ( -0.0223050 0.0223050 0.5000000), wk = 0.0034483 k( 47) = ( -0.0334575 0.0334575 0.5000000), wk = 0.0034483 k( 48) = ( -0.0446100 0.0446099 0.5000000), wk = 0.0034483 k( 49) = ( -0.0557624 0.0557624 0.5000000), wk = 0.0034483 k( 50) = ( -0.0669149 0.0669149 0.5000000), wk = 0.0034483 k( 51) = ( -0.0780674 0.0780674 0.5000000), wk = 0.0034483 k( 52) = ( -0.0892199 0.0892199 0.5000000), wk = 0.0034483 k( 53) = ( -0.1003724 0.1003724 0.5000000), wk = 0.0034483 k( 54) = ( -0.1115249 0.1115249 0.5000000), wk = 0.0034483 k( 55) = ( -0.1226774 0.1226774 0.5000000), wk = 0.0034483 k( 56) = ( -0.1338299 0.1338299 0.5000000), wk = 0.0034483 k( 57) = ( -0.1338299 0.1338299 0.5000000), wk = 0.0034483 k( 58) = ( -0.1421519 0.1421519 0.4916779), wk = 0.0034483 k( 59) = ( -0.1504739 0.1504739 0.4833559), wk = 0.0034483 k( 60) = ( -0.1587960 0.1587960 0.4750338), wk = 0.0034483 k( 61) = ( -0.1671180 0.1671180 0.4667118), wk = 0.0034483 k( 62) = ( -0.1754401 0.1754401 0.4583898), wk = 0.0034483 k( 63) = ( -0.1837621 0.1837621 0.4500677), wk = 0.0034483 k( 64) = ( -0.1920842 0.1920842 0.4417457), wk = 0.0034483 k( 65) = ( -0.2004062 0.2004062 0.4334236), wk = 0.0034483 k( 66) = ( -0.2087283 0.2087283 0.4251016), wk = 0.0034483 k( 67) = ( -0.2170503 0.2170503 0.4167795), wk = 0.0034483 k( 68) = ( -0.2253724 0.2253724 0.4084575), wk = 0.0034483 k( 69) = ( -0.2336944 0.2336944 0.4001354), wk = 0.0034483 k( 70) = ( -0.2420165 0.2420165 0.3918134), wk = 0.0034483 k( 71) = ( -0.2503385 0.2503385 0.3834913), wk = 0.0034483 k( 72) = ( -0.2586606 0.2586606 0.3751693), wk = 0.0034483 k( 73) = ( -0.2669826 0.2669826 0.3668472), wk = 0.0034483 k( 74) = ( -0.2753047 0.2753047 0.3585252), wk = 0.0034483 k( 75) = ( -0.2836267 0.2836267 0.3502031), wk = 0.0034483 k( 76) = ( -0.2919488 0.2919488 0.3418811), wk = 0.0034483 k( 77) = ( -0.3002708 0.3002708 0.3335590), wk = 0.0034483 k( 78) = ( -0.3085929 0.3085929 0.3252370), wk = 0.0034483 k( 79) = ( -0.3169149 0.3169149 0.3169149), wk = 0.0034483 k( 80) = ( -0.3169149 0.3169149 0.3169149), wk = 0.0034483 k( 81) = ( -0.3083497 0.3083497 0.3083497), wk = 0.0034483 k( 82) = ( -0.2997844 0.2997844 0.2997844), wk = 0.0034483 k( 83) = ( -0.2912191 0.2912191 0.2912191), wk = 0.0034483 k( 84) = ( -0.2826538 0.2826538 0.2826538), wk = 0.0034483 k( 85) = ( -0.2740886 0.2740886 0.2740886), wk = 0.0034483 k( 86) = ( -0.2655233 0.2655233 0.2655233), wk = 0.0034483 k( 87) = ( -0.2569580 0.2569580 0.2569580), wk = 0.0034483 k( 88) = ( -0.2483928 0.2483928 0.2483928), wk = 0.0034483 k( 89) = ( -0.2398275 0.2398275 0.2398275), wk = 0.0034483 k( 90) = ( -0.2312622 0.2312622 0.2312622), wk = 0.0034483 k( 91) = ( -0.2226970 0.2226970 0.2226970), wk = 0.0034483 k( 92) = ( -0.2141317 0.2141317 0.2141317), wk = 0.0034483 k( 93) = ( -0.2055664 0.2055664 0.2055664), wk = 0.0034483 k( 94) = ( -0.1970012 0.1970012 0.1970012), wk = 0.0034483 k( 95) = ( -0.1884359 0.1884359 0.1884359), wk = 0.0034483 k( 96) = ( -0.1798706 0.1798706 0.1798706), wk = 0.0034483 k( 97) = ( -0.1713054 0.1713054 0.1713054), wk = 0.0034483 k( 98) = ( -0.1627401 0.1627401 0.1627401), wk = 0.0034483 k( 99) = ( -0.1541748 0.1541748 0.1541748), wk = 0.0034483 k( 100) = ( -0.1456096 0.1456096 0.1456096), wk = 0.0034483 k( 101) = ( -0.1370443 0.1370443 0.1370443), wk = 0.0034483 k( 102) = ( -0.1284790 0.1284790 0.1284790), wk = 0.0034483 k( 103) = ( -0.1199137 0.1199137 0.1199138), wk = 0.0034483 k( 104) = ( -0.1113485 0.1113485 0.1113485), wk = 0.0034483 k( 105) = ( -0.1027832 0.1027832 0.1027832), wk = 0.0034483 k( 106) = ( -0.0942179 0.0942179 0.0942180), wk = 0.0034483 k( 107) = ( -0.0856527 0.0856527 0.0856527), wk = 0.0034483 k( 108) = ( -0.0770874 0.0770874 0.0770874), wk = 0.0034483 k( 109) = ( -0.0685222 0.0685222 0.0685222), wk = 0.0034483 k( 110) = ( -0.0599569 0.0599569 0.0599569), wk = 0.0034483 k( 111) = ( -0.0513916 0.0513916 0.0513916), wk = 0.0034483 k( 112) = ( -0.0428263 0.0428263 0.0428263), wk = 0.0034483 k( 113) = ( -0.0342611 0.0342611 0.0342611), wk = 0.0034483 k( 114) = ( -0.0256958 0.0256958 0.0256958), wk = 0.0034483 k( 115) = ( -0.0171305 0.0171305 0.0171305), wk = 0.0034483 k( 116) = ( -0.0085653 0.0085653 0.0085653), wk = 0.0034483 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 119) = ( 0.0161290 0.0161290 -0.0161290), wk = 0.0034483 k( 120) = ( 0.0322581 0.0322581 -0.0322581), wk = 0.0034483 k( 121) = ( 0.0483871 0.0483871 -0.0483871), wk = 0.0034483 k( 122) = ( 0.0645161 0.0645161 -0.0645161), wk = 0.0034483 k( 123) = ( 0.0806452 0.0806452 -0.0806452), wk = 0.0034483 k( 124) = ( 0.0967742 0.0967742 -0.0967742), wk = 0.0034483 k( 125) = ( 0.1129032 0.1129032 -0.1129032), wk = 0.0034483 k( 126) = ( 0.1290323 0.1290323 -0.1290323), wk = 0.0034483 k( 127) = ( 0.1451613 0.1451613 -0.1451613), wk = 0.0034483 k( 128) = ( 0.1612903 0.1612903 -0.1612903), wk = 0.0034483 k( 129) = ( 0.1774194 0.1774193 -0.1774194), wk = 0.0034483 k( 130) = ( 0.1935484 0.1935484 -0.1935484), wk = 0.0034483 k( 131) = ( 0.2096774 0.2096774 -0.2096774), wk = 0.0034483 k( 132) = ( 0.2258064 0.2258064 -0.2258064), wk = 0.0034483 k( 133) = ( 0.2419355 0.2419355 -0.2419355), wk = 0.0034483 k( 134) = ( 0.2580645 0.2580645 -0.2580645), wk = 0.0034483 k( 135) = ( 0.2741936 0.2741935 -0.2741936), wk = 0.0034483 k( 136) = ( 0.2903226 0.2903226 -0.2903226), wk = 0.0034483 k( 137) = ( 0.3064516 0.3064516 -0.3064516), wk = 0.0034483 k( 138) = ( 0.3225807 0.3225806 -0.3225807), wk = 0.0034483 k( 139) = ( 0.3387097 0.3387097 -0.3387097), wk = 0.0034483 k( 140) = ( 0.3548387 0.3548387 -0.3548387), wk = 0.0034483 k( 141) = ( 0.3709677 0.3709677 -0.3709677), wk = 0.0034483 k( 142) = ( 0.3870968 0.3870968 -0.3870968), wk = 0.0034483 k( 143) = ( 0.4032258 0.4032258 -0.4032258), wk = 0.0034483 k( 144) = ( 0.4193548 0.4193548 -0.4193548), wk = 0.0034483 k( 145) = ( 0.4354839 0.4354839 -0.4354839), wk = 0.0034483 k( 146) = ( 0.4516129 0.4516129 -0.4516129), wk = 0.0034483 k( 147) = ( 0.4677419 0.4677419 -0.4677419), wk = 0.0034483 k( 148) = ( 0.4838710 0.4838710 -0.4838710), wk = 0.0034483 k( 149) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0034483 k( 150) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0034483 k( 151) = ( 0.4916779 0.5083220 -0.4916779), wk = 0.0034483 k( 152) = ( 0.4833559 0.5166441 -0.4833559), wk = 0.0034483 k( 153) = ( 0.4750338 0.5249662 -0.4750339), wk = 0.0034483 k( 154) = ( 0.4667118 0.5332882 -0.4667118), wk = 0.0034483 k( 155) = ( 0.4583898 0.5416102 -0.4583898), wk = 0.0034483 k( 156) = ( 0.4500677 0.5499323 -0.4500677), wk = 0.0034483 k( 157) = ( 0.4417457 0.5582543 -0.4417457), wk = 0.0034483 k( 158) = ( 0.4334236 0.5665764 -0.4334236), wk = 0.0034483 k( 159) = ( 0.4251016 0.5748984 -0.4251016), wk = 0.0034483 k( 160) = ( 0.4167795 0.5832205 -0.4167795), wk = 0.0034483 k( 161) = ( 0.4084575 0.5915425 -0.4084575), wk = 0.0034483 k( 162) = ( 0.4001354 0.5998646 -0.4001354), wk = 0.0034483 k( 163) = ( 0.3918134 0.6081866 -0.3918134), wk = 0.0034483 k( 164) = ( 0.3834913 0.6165087 -0.3834913), wk = 0.0034483 k( 165) = ( 0.3751693 0.6248307 -0.3751693), wk = 0.0034483 k( 166) = ( 0.3668472 0.6331528 -0.3668472), wk = 0.0034483 k( 167) = ( 0.3585252 0.6414748 -0.3585252), wk = 0.0034483 k( 168) = ( 0.3502031 0.6497969 -0.3502031), wk = 0.0034483 k( 169) = ( 0.3418811 0.6581189 -0.3418811), wk = 0.0034483 k( 170) = ( 0.3335590 0.6664410 -0.3335590), wk = 0.0034483 k( 171) = ( 0.3252370 0.6747630 -0.3252370), wk = 0.0034483 k( 172) = ( 0.3169149 0.6830851 -0.3169149), wk = 0.0034483 k( 173) = ( 0.3169149 0.6830851 -0.3169149), wk = 0.0034483 k( 174) = ( 0.2982729 0.6723154 -0.2982729), wk = 0.0034483 k( 175) = ( 0.2796308 0.6615457 -0.2796308), wk = 0.0034483 k( 176) = ( 0.2609888 0.6507759 -0.2609888), wk = 0.0034483 k( 177) = ( 0.2423467 0.6400062 -0.2423467), wk = 0.0034483 k( 178) = ( 0.2237047 0.6292365 -0.2237046), wk = 0.0034483 k( 179) = ( 0.2050626 0.6184668 -0.2050626), wk = 0.0034483 k( 180) = ( 0.1864205 0.6076971 -0.1864205), wk = 0.0034483 k( 181) = ( 0.1677785 0.5969274 -0.1677785), wk = 0.0034483 k( 182) = ( 0.1491364 0.5861577 -0.1491364), wk = 0.0034483 k( 183) = ( 0.1304944 0.5753880 -0.1304944), wk = 0.0034483 k( 184) = ( 0.1118523 0.5646183 -0.1118523), wk = 0.0034483 k( 185) = ( 0.0932103 0.5538485 -0.0932103), wk = 0.0034483 k( 186) = ( 0.0745682 0.5430788 -0.0745682), wk = 0.0034483 k( 187) = ( 0.0559262 0.5323091 -0.0559262), wk = 0.0034483 k( 188) = ( 0.0372841 0.5215394 -0.0372841), wk = 0.0034483 k( 189) = ( 0.0186421 0.5107697 -0.0186420), wk = 0.0034483 k( 190) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034483 k( 191) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034483 k( 192) = ( 0.0083333 0.4916667 0.0083333), wk = 0.0034483 k( 193) = ( 0.0166667 0.4833333 0.0166667), wk = 0.0034483 k( 194) = ( 0.0250000 0.4750000 0.0250000), wk = 0.0034483 k( 195) = ( 0.0333333 0.4666667 0.0333333), wk = 0.0034483 k( 196) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0034483 k( 197) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0034483 k( 198) = ( 0.0583333 0.4416667 0.0583333), wk = 0.0034483 k( 199) = ( 0.0666667 0.4333333 0.0666667), wk = 0.0034483 k( 200) = ( 0.0750000 0.4250000 0.0750000), wk = 0.0034483 k( 201) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0034483 k( 202) = ( 0.0916667 0.4083333 0.0916667), wk = 0.0034483 k( 203) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0034483 k( 204) = ( 0.1083333 0.3916667 0.1083333), wk = 0.0034483 k( 205) = ( 0.1166667 0.3833333 0.1166667), wk = 0.0034483 k( 206) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0034483 k( 207) = ( 0.1333333 0.3666667 0.1333333), wk = 0.0034483 k( 208) = ( 0.1416667 0.3583333 0.1416667), wk = 0.0034483 k( 209) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0034483 k( 210) = ( 0.1583333 0.3416667 0.1583333), wk = 0.0034483 k( 211) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0034483 k( 212) = ( 0.1750000 0.3250000 0.1750000), wk = 0.0034483 k( 213) = ( 0.1833333 0.3166667 0.1833333), wk = 0.0034483 k( 214) = ( 0.1916667 0.3083333 0.1916667), wk = 0.0034483 k( 215) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0034483 k( 216) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0034483 k( 217) = ( 0.2166667 0.2833333 0.2166667), wk = 0.0034483 k( 218) = ( 0.2250000 0.2750000 0.2250000), wk = 0.0034483 k( 219) = ( 0.2333333 0.2666667 0.2333333), wk = 0.0034483 k( 220) = ( 0.2416667 0.2583333 0.2416667), wk = 0.0034483 k( 221) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034483 k( 222) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034483 k( 223) = ( 0.2631579 0.2631579 0.2297984), wk = 0.0034483 k( 224) = ( 0.2763158 0.2763158 0.2095969), wk = 0.0034483 k( 225) = ( 0.2894737 0.2894737 0.1893953), wk = 0.0034483 k( 226) = ( 0.3026316 0.3026316 0.1691937), wk = 0.0034483 k( 227) = ( 0.3157895 0.3157895 0.1489921), wk = 0.0034483 k( 228) = ( 0.3289474 0.3289474 0.1287906), wk = 0.0034483 k( 229) = ( 0.3421053 0.3421053 0.1085890), wk = 0.0034483 k( 230) = ( 0.3552632 0.3552632 0.0883874), wk = 0.0034483 k( 231) = ( 0.3684211 0.3684210 0.0681859), wk = 0.0034483 k( 232) = ( 0.3815789 0.3815789 0.0479843), wk = 0.0034483 k( 233) = ( 0.3947368 0.3947368 0.0277827), wk = 0.0034483 k( 234) = ( 0.4078947 0.4078947 0.0075812), wk = 0.0034483 k( 235) = ( 0.4210526 0.4210526 -0.0126204), wk = 0.0034483 k( 236) = ( 0.4342105 0.4342105 -0.0328220), wk = 0.0034483 k( 237) = ( 0.4473684 0.4473684 -0.0530236), wk = 0.0034483 k( 238) = ( 0.4605263 0.4605263 -0.0732251), wk = 0.0034483 k( 239) = ( 0.4736842 0.4736842 -0.0934267), wk = 0.0034483 k( 240) = ( 0.4868421 0.4868421 -0.1136283), wk = 0.0034483 k( 241) = ( 0.5000000 0.5000000 -0.1338298), wk = 0.0034483 k( 242) = ( 0.5000000 0.5000000 -0.1338298), wk = 0.0034483 k( 243) = ( 0.5000000 0.5000000 -0.1456418), wk = 0.0034483 k( 244) = ( 0.5000000 0.5000000 -0.1574537), wk = 0.0034483 k( 245) = ( 0.5000000 0.5000000 -0.1692657), wk = 0.0034483 k( 246) = ( 0.5000000 0.5000000 -0.1810776), wk = 0.0034483 k( 247) = ( 0.5000000 0.5000000 -0.1928895), wk = 0.0034483 k( 248) = ( 0.5000000 0.5000000 -0.2047015), wk = 0.0034483 k( 249) = ( 0.5000000 0.5000000 -0.2165134), wk = 0.0034483 k( 250) = ( 0.5000000 0.5000000 -0.2283254), wk = 0.0034483 k( 251) = ( 0.5000000 0.5000000 -0.2401373), wk = 0.0034483 k( 252) = ( 0.5000000 0.5000000 -0.2519492), wk = 0.0034483 k( 253) = ( 0.5000000 0.5000000 -0.2637612), wk = 0.0034483 k( 254) = ( 0.5000000 0.5000000 -0.2755731), wk = 0.0034483 k( 255) = ( 0.5000000 0.5000000 -0.2873851), wk = 0.0034483 k( 256) = ( 0.5000000 0.5000000 -0.2991970), wk = 0.0034483 k( 257) = ( 0.5000000 0.5000000 -0.3110089), wk = 0.0034483 k( 258) = ( 0.5000000 0.5000000 -0.3228209), wk = 0.0034483 k( 259) = ( 0.5000000 0.5000000 -0.3346328), wk = 0.0034483 k( 260) = ( 0.5000000 0.5000000 -0.3464448), wk = 0.0034483 k( 261) = ( 0.5000000 0.5000000 -0.3582567), wk = 0.0034483 k( 262) = ( 0.5000000 0.5000000 -0.3700687), wk = 0.0034483 k( 263) = ( 0.5000000 0.5000000 -0.3818806), wk = 0.0034483 k( 264) = ( 0.5000000 0.5000000 -0.3936925), wk = 0.0034483 k( 265) = ( 0.5000000 0.5000000 -0.4055045), wk = 0.0034483 k( 266) = ( 0.5000000 0.5000000 -0.4173164), wk = 0.0034483 k( 267) = ( 0.5000000 0.5000000 -0.4291284), wk = 0.0034483 k( 268) = ( 0.5000000 0.5000000 -0.4409403), wk = 0.0034483 k( 269) = ( 0.5000000 0.5000000 -0.4527522), wk = 0.0034483 k( 270) = ( 0.5000000 0.5000000 -0.4645642), wk = 0.0034483 k( 271) = ( 0.5000000 0.5000000 -0.4763761), wk = 0.0034483 k( 272) = ( 0.5000000 0.5000000 -0.4881881), wk = 0.0034483 k( 273) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0034483 k( 274) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034483 k( 275) = ( 0.0156250 0.0156250 0.4843750), wk = 0.0034483 k( 276) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0034483 k( 277) = ( 0.0468750 0.0468750 0.4531250), wk = 0.0034483 k( 278) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0034483 k( 279) = ( 0.0781250 0.0781250 0.4218750), wk = 0.0034483 k( 280) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0034483 k( 281) = ( 0.1093750 0.1093750 0.3906250), wk = 0.0034483 k( 282) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0034483 k( 283) = ( 0.1406250 0.1406250 0.3593750), wk = 0.0034483 k( 284) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0034483 k( 285) = ( 0.1718750 0.1718750 0.3281250), wk = 0.0034483 k( 286) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0034483 k( 287) = ( 0.2031250 0.2031250 0.2968750), wk = 0.0034483 k( 288) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0034483 k( 289) = ( 0.2343750 0.2343750 0.2656250), wk = 0.0034483 k( 290) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034483 Dense grid: 79333 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 41815 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.28 Mb ( 296, 62) NL pseudopotentials 0.61 Mb ( 148, 272) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 2205) G-vector shells 0.01 Mb ( 1029) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.12 Mb ( 296, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.51 Mb ( 272, 2, 62) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./ZnSiP2.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.5 secs Computing kpt #: 2 total cpu time spent up to now is 5.5 secs Computing kpt #: 3 total cpu time spent up to now is 6.4 secs Computing kpt #: 4 total cpu time spent up to now is 7.4 secs Computing kpt #: 5 total cpu time spent up to now is 8.4 secs Computing kpt #: 6 total cpu time spent up to now is 9.4 secs Computing kpt #: 7 total cpu time spent up to now is 10.4 secs Computing kpt #: 8 total cpu time spent up to now is 11.5 secs Computing kpt #: 9 total cpu time spent up to now is 12.6 secs Computing kpt #: 10 total cpu time spent up to now is 13.6 secs Computing kpt #: 11 total cpu time spent up to now is 14.7 secs Computing kpt #: 12 total cpu time spent up to now is 15.8 secs Computing kpt #: 13 total cpu time spent up to now is 16.9 secs Computing kpt #: 14 total cpu time spent up to now is 17.9 secs Computing kpt #: 15 total cpu time spent up to now is 19.0 secs Computing kpt #: 16 total cpu time spent up to now is 20.0 secs Computing kpt #: 17 total cpu time spent up to now is 21.1 secs Computing kpt #: 18 total cpu time spent up to now is 22.3 secs Computing kpt #: 19 total cpu time spent up to now is 23.5 secs Computing kpt #: 20 total cpu time spent up to now is 24.7 secs Computing kpt #: 21 total cpu time spent up to now is 26.0 secs Computing kpt #: 22 total cpu time spent up to now is 27.3 secs Computing kpt #: 23 total cpu time spent up to now is 28.5 secs Computing kpt #: 24 total cpu time spent up to now is 29.7 secs Computing kpt #: 25 total cpu time spent up to now is 31.0 secs Computing kpt #: 26 total cpu time spent up to now is 32.2 secs Computing kpt #: 27 total cpu time spent up to now is 33.5 secs Computing kpt #: 28 total cpu time spent up to now is 34.7 secs Computing kpt #: 29 total cpu time spent up to now is 35.9 secs Computing kpt #: 30 total cpu time spent up to now is 37.1 secs Computing kpt #: 31 total cpu time spent up to now is 38.3 secs Computing kpt #: 32 total cpu time spent up to now is 39.5 secs Computing kpt #: 33 total cpu time spent up to now is 40.7 secs Computing kpt #: 34 total cpu time spent up to now is 41.9 secs Computing kpt #: 35 total cpu time spent up to now is 43.1 secs Computing kpt #: 36 total cpu time spent up to now is 44.3 secs Computing kpt #: 37 total cpu time spent up to now is 45.5 secs Computing kpt #: 38 total cpu time spent up to now is 46.7 secs Computing kpt #: 39 total cpu time spent up to now is 47.9 secs Computing kpt #: 40 total cpu time spent up to now is 49.1 secs Computing kpt #: 41 total cpu time spent up to now is 50.4 secs Computing kpt #: 42 total cpu time spent up to now is 51.6 secs Computing kpt #: 43 total cpu time spent up to now is 52.8 secs Computing kpt #: 44 total cpu time spent up to now is 54.1 secs Computing kpt #: 45 total cpu time spent up to now is 55.2 secs Computing kpt #: 46 total cpu time spent up to now is 56.4 secs Computing kpt #: 47 total cpu time spent up to now is 57.7 secs Computing kpt #: 48 total cpu time spent up to now is 58.9 secs Computing kpt #: 49 total cpu time spent up to now is 60.5 secs Computing kpt #: 50 total cpu time spent up to now is 61.8 secs Computing kpt #: 51 total cpu time spent up to now is 63.1 secs Computing kpt #: 52 total cpu time spent up to now is 64.3 secs Computing kpt #: 53 total cpu time spent up to now is 65.6 secs Computing kpt #: 54 total cpu time spent up to now is 66.9 secs Computing kpt #: 55 total cpu time spent up to now is 68.1 secs Computing kpt #: 56 total cpu time spent up to now is 69.3 secs Computing kpt #: 57 total cpu time spent up to now is 70.5 secs Computing kpt #: 58 total cpu time spent up to now is 73.5 secs Computing kpt #: 59 total cpu time spent up to now is 74.7 secs Computing kpt #: 60 total cpu time spent up to now is 75.9 secs Computing kpt #: 61 total cpu time spent up to now is 77.0 secs Computing kpt #: 62 total cpu time spent up to now is 78.3 secs Computing kpt #: 63 total cpu time spent up to now is 79.4 secs Computing kpt #: 64 total cpu time spent up to now is 80.5 secs Computing kpt #: 65 total cpu time spent up to now is 81.6 secs Computing kpt #: 66 total cpu time spent up to now is 82.6 secs Computing kpt #: 67 total cpu time spent up to now is 83.7 secs Computing kpt #: 68 total cpu time spent up to now is 84.7 secs Computing kpt #: 69 total cpu time spent up to now is 85.9 secs Computing kpt #: 70 total cpu time spent up to now is 86.9 secs Computing kpt #: 71 total cpu time spent up to now is 88.0 secs Computing kpt #: 72 total cpu time spent up to now is 89.1 secs Computing kpt #: 73 total cpu time spent up to now is 90.2 secs Computing kpt #: 74 total cpu time spent up to now is 91.3 secs Computing kpt #: 75 total cpu time spent up to now is 92.4 secs Computing kpt #: 76 total cpu time spent up to now is 93.6 secs Computing kpt #: 77 total cpu time spent up to now is 94.8 secs Computing kpt #: 78 total cpu time spent up to now is 95.9 secs Computing kpt #: 79 total cpu time spent up to now is 97.0 secs Computing kpt #: 80 total cpu time spent up to now is 98.1 secs Computing kpt #: 81 total cpu time spent up to now is 99.2 secs Computing kpt #: 82 total cpu time spent up to now is 100.3 secs Computing kpt #: 83 total cpu time spent up to now is 102.0 secs Computing kpt #: 84 total cpu time spent up to now is 103.3 secs Computing kpt #: 85 total cpu time spent up to now is 104.7 secs Computing kpt #: 86 total cpu time spent up to now is 105.9 secs Computing kpt #: 87 total cpu time spent up to now is 107.1 secs Computing kpt #: 88 total cpu time spent up to now is 108.3 secs Computing kpt #: 89 total cpu time spent up to now is 109.5 secs Computing kpt #: 90 total cpu time spent up to now is 110.7 secs Computing kpt #: 91 total cpu time spent up to now is 111.9 secs Computing kpt #: 92 total cpu time spent up to now is 113.1 secs Computing kpt #: 93 total cpu time spent up to now is 114.4 secs Computing kpt #: 94 total cpu time spent up to now is 115.6 secs Computing kpt #: 95 total cpu time spent up to now is 116.9 secs Computing kpt #: 96 total cpu time spent up to now is 118.1 secs Computing kpt #: 97 total cpu time spent up to now is 119.3 secs Computing kpt #: 98 total cpu time spent up to now is 120.5 secs Computing kpt #: 99 total cpu time spent up to now is 121.6 secs Computing kpt #: 100 total cpu time spent up to now is 122.6 secs Computing kpt #: 101 total cpu time spent up to now is 123.7 secs Computing kpt #: 102 total cpu time spent up to now is 124.8 secs Computing kpt #: 103 total cpu time spent up to now is 125.9 secs Computing kpt #: 104 total cpu time spent up to now is 127.0 secs Computing kpt #: 105 total cpu time spent up to now is 128.0 secs Computing kpt #: 106 total cpu time spent up to now is 129.1 secs Computing kpt #: 107 total cpu time spent up to now is 130.2 secs Computing kpt #: 108 total cpu time spent up to now is 131.2 secs Computing kpt #: 109 total cpu time spent up to now is 132.3 secs Computing kpt #: 110 total cpu time spent up to now is 133.3 secs Computing kpt #: 111 total cpu time spent up to now is 134.2 secs Computing kpt #: 112 total cpu time spent up to now is 135.3 secs Computing kpt #: 113 total cpu time spent up to now is 136.2 secs Computing kpt #: 114 total cpu time spent up to now is 137.3 secs Computing kpt #: 115 total cpu time spent up to now is 138.2 secs Computing kpt #: 116 total cpu time spent up to now is 139.2 secs Computing kpt #: 117 total cpu time spent up to now is 140.3 secs Computing kpt #: 118 total cpu time spent up to now is 141.2 secs Computing kpt #: 119 total cpu time spent up to now is 142.3 secs Computing kpt #: 120 total cpu time spent up to now is 143.2 secs Computing kpt #: 121 total cpu time spent up to now is 144.2 secs Computing kpt #: 122 total cpu time spent up to now is 145.3 secs Computing kpt #: 123 total cpu time spent up to now is 146.4 secs Computing kpt #: 124 total cpu time spent up to now is 147.5 secs Computing kpt #: 125 total cpu time spent up to now is 148.6 secs Computing kpt #: 126 total cpu time spent up to now is 149.7 secs Computing kpt #: 127 total cpu time spent up to now is 150.8 secs Computing kpt #: 128 total cpu time spent up to now is 152.0 secs Computing kpt #: 129 total cpu time spent up to now is 153.0 secs Computing kpt #: 130 total cpu time spent up to now is 154.1 secs Computing kpt #: 131 total cpu time spent up to now is 155.1 secs Computing kpt #: 132 total cpu time spent up to now is 156.2 secs Computing kpt #: 133 total cpu time spent up to now is 157.3 secs Computing kpt #: 134 total cpu time spent up to now is 158.3 secs Computing kpt #: 135 total cpu time spent up to now is 159.4 secs Computing kpt #: 136 total cpu time spent up to now is 160.5 secs Computing kpt #: 137 total cpu time spent up to now is 161.5 secs Computing kpt #: 138 total cpu time spent up to now is 162.6 secs Computing kpt #: 139 total cpu time spent up to now is 163.6 secs Computing kpt #: 140 total cpu time spent up to now is 164.6 secs Computing kpt #: 141 total cpu time spent up to now is 165.6 secs Computing kpt #: 142 total cpu time spent up to now is 166.6 secs Computing kpt #: 143 total cpu time spent up to now is 167.7 secs Computing kpt #: 144 total cpu time spent up to now is 168.7 secs Computing kpt #: 145 total cpu time spent up to now is 169.7 secs Computing kpt #: 146 total cpu time spent up to now is 170.8 secs Computing kpt #: 147 total cpu time spent up to now is 171.7 secs Computing kpt #: 148 total cpu time spent up to now is 172.8 secs Computing kpt #: 149 total cpu time spent up to now is 173.7 secs Computing kpt #: 150 total cpu time spent up to now is 174.7 secs Computing kpt #: 151 total cpu time spent up to now is 175.8 secs Computing kpt #: 152 total cpu time spent up to now is 176.9 secs Computing kpt #: 153 total cpu time spent up to now is 178.0 secs Computing kpt #: 154 total cpu time spent up to now is 179.0 secs Computing kpt #: 155 total cpu time spent up to now is 180.1 secs Computing kpt #: 156 total cpu time spent up to now is 181.2 secs Computing kpt #: 157 total cpu time spent up to now is 182.2 secs Computing kpt #: 158 total cpu time spent up to now is 183.3 secs Computing kpt #: 159 total cpu time spent up to now is 184.3 secs Computing kpt #: 160 total cpu time spent up to now is 185.4 secs Computing kpt #: 161 total cpu time spent up to now is 186.4 secs Computing kpt #: 162 total cpu time spent up to now is 187.5 secs Computing kpt #: 163 total cpu time spent up to now is 188.6 secs Computing kpt #: 164 total cpu time spent up to now is 189.7 secs Computing kpt #: 165 total cpu time spent up to now is 190.8 secs Computing kpt #: 166 total cpu time spent up to now is 192.1 secs Computing kpt #: 167 total cpu time spent up to now is 193.3 secs Computing kpt #: 168 total cpu time spent up to now is 194.5 secs Computing kpt #: 169 total cpu time spent up to now is 195.8 secs Computing kpt #: 170 total cpu time spent up to now is 196.9 secs Computing kpt #: 171 total cpu time spent up to now is 198.0 secs Computing kpt #: 172 total cpu time spent up to now is 199.1 secs Computing kpt #: 173 total cpu time spent up to now is 200.2 secs Computing kpt #: 174 total cpu time spent up to now is 201.3 secs Computing kpt #: 175 total cpu time spent up to now is 202.4 secs Computing kpt #: 176 total cpu time spent up to now is 203.5 secs Computing kpt #: 177 total cpu time spent up to now is 204.8 secs Computing kpt #: 178 total cpu time spent up to now is 206.2 secs Computing kpt #: 179 total cpu time spent up to now is 207.5 secs Computing kpt #: 180 total cpu time spent up to now is 208.8 secs Computing kpt #: 181 total cpu time spent up to now is 210.0 secs Computing kpt #: 182 total cpu time spent up to now is 211.2 secs Computing kpt #: 183 total cpu time spent up to now is 212.5 secs Computing kpt #: 184 total cpu time spent up to now is 213.7 secs Computing kpt #: 185 total cpu time spent up to now is 214.9 secs Computing kpt #: 186 total cpu time spent up to now is 216.2 secs Computing kpt #: 187 total cpu time spent up to now is 217.4 secs Computing kpt #: 188 total cpu time spent up to now is 218.6 secs Computing kpt #: 189 total cpu time spent up to now is 219.9 secs Computing kpt #: 190 total cpu time spent up to now is 221.1 secs Computing kpt #: 191 total cpu time spent up to now is 222.3 secs Computing kpt #: 192 total cpu time spent up to now is 223.6 secs Computing kpt #: 193 total cpu time spent up to now is 224.7 secs Computing kpt #: 194 total cpu time spent up to now is 226.0 secs Computing kpt #: 195 total cpu time spent up to now is 227.2 secs Computing kpt #: 196 total cpu time spent up to now is 228.4 secs Computing kpt #: 197 total cpu time spent up to now is 229.6 secs Computing kpt #: 198 total cpu time spent up to now is 230.9 secs Computing kpt #: 199 total cpu time spent up to now is 232.1 secs Computing kpt #: 200 total cpu time spent up to now is 233.4 secs Computing kpt #: 201 total cpu time spent up to now is 234.6 secs Computing kpt #: 202 total cpu time spent up to now is 235.8 secs Computing kpt #: 203 total cpu time spent up to now is 237.2 secs Computing kpt #: 204 total cpu time spent up to now is 238.5 secs Computing kpt #: 205 total cpu time spent up to now is 239.8 secs Computing kpt #: 206 total cpu time spent up to now is 241.0 secs Computing kpt #: 207 total cpu time spent up to now is 242.3 secs Computing kpt #: 208 total cpu time spent up to now is 243.5 secs Computing kpt #: 209 total cpu time spent up to now is 244.6 secs Computing kpt #: 210 total cpu time spent up to now is 245.7 secs Computing kpt #: 211 total cpu time spent up to now is 246.8 secs Computing kpt #: 212 total cpu time spent up to now is 247.9 secs Computing kpt #: 213 total cpu time spent up to now is 249.0 secs Computing kpt #: 214 total cpu time spent up to now is 250.0 secs Computing kpt #: 215 total cpu time spent up to now is 251.1 secs Computing kpt #: 216 total cpu time spent up to now is 252.2 secs Computing kpt #: 217 total cpu time spent up to now is 253.3 secs Computing kpt #: 218 total cpu time spent up to now is 254.3 secs Computing kpt #: 219 total cpu time spent up to now is 255.4 secs Computing kpt #: 220 total cpu time spent up to now is 256.7 secs Computing kpt #: 221 total cpu time spent up to now is 257.9 secs Computing kpt #: 222 total cpu time spent up to now is 259.1 secs Computing kpt #: 223 total cpu time spent up to now is 260.3 secs Computing kpt #: 224 total cpu time spent up to now is 261.6 secs Computing kpt #: 225 total cpu time spent up to now is 262.8 secs Computing kpt #: 226 total cpu time spent up to now is 263.9 secs Computing kpt #: 227 total cpu time spent up to now is 265.0 secs Computing kpt #: 228 total cpu time spent up to now is 266.1 secs Computing kpt #: 229 total cpu time spent up to now is 267.2 secs Computing kpt #: 230 total cpu time spent up to now is 268.2 secs Computing kpt #: 231 total cpu time spent up to now is 269.4 secs Computing kpt #: 232 total cpu time spent up to now is 270.4 secs Computing kpt #: 233 total cpu time spent up to now is 271.5 secs Computing kpt #: 234 total cpu time spent up to now is 272.6 secs Computing kpt #: 235 total cpu time spent up to now is 273.6 secs Computing kpt #: 236 total cpu time spent up to now is 274.7 secs Computing kpt #: 237 total cpu time spent up to now is 275.8 secs Computing kpt #: 238 total cpu time spent up to now is 276.9 secs Computing kpt #: 239 total cpu time spent up to now is 278.0 secs Computing kpt #: 240 total cpu time spent up to now is 279.1 secs Computing kpt #: 241 total cpu time spent up to now is 280.4 secs Computing kpt #: 242 total cpu time spent up to now is 281.5 secs Computing kpt #: 243 total cpu time spent up to now is 282.8 secs Computing kpt #: 244 total cpu time spent up to now is 284.0 secs Computing kpt #: 245 total cpu time spent up to now is 285.1 secs Computing kpt #: 246 total cpu time spent up to now is 286.4 secs Computing kpt #: 247 total cpu time spent up to now is 287.7 secs Computing kpt #: 248 total cpu time spent up to now is 288.9 secs Computing kpt #: 249 total cpu time spent up to now is 290.1 secs Computing kpt #: 250 total cpu time spent up to now is 291.4 secs Computing kpt #: 251 total cpu time spent up to now is 292.6 secs Computing kpt #: 252 total cpu time spent up to now is 293.8 secs Computing kpt #: 253 total cpu time spent up to now is 295.0 secs Computing kpt #: 254 total cpu time spent up to now is 296.2 secs Computing kpt #: 255 total cpu time spent up to now is 297.4 secs Computing kpt #: 256 total cpu time spent up to now is 298.8 secs Computing kpt #: 257 total cpu time spent up to now is 300.0 secs Computing kpt #: 258 total cpu time spent up to now is 301.2 secs Computing kpt #: 259 total cpu time spent up to now is 302.5 secs Computing kpt #: 260 total cpu time spent up to now is 303.6 secs Computing kpt #: 261 total cpu time spent up to now is 304.8 secs Computing kpt #: 262 total cpu time spent up to now is 306.1 secs Computing kpt #: 263 total cpu time spent up to now is 307.2 secs Computing kpt #: 264 total cpu time spent up to now is 308.4 secs Computing kpt #: 265 total cpu time spent up to now is 309.7 secs Computing kpt #: 266 total cpu time spent up to now is 310.7 secs Computing kpt #: 267 total cpu time spent up to now is 311.9 secs Computing kpt #: 268 total cpu time spent up to now is 313.0 secs Computing kpt #: 269 total cpu time spent up to now is 314.0 secs Computing kpt #: 270 total cpu time spent up to now is 315.1 secs Computing kpt #: 271 total cpu time spent up to now is 316.2 secs Computing kpt #: 272 total cpu time spent up to now is 318.1 secs Computing kpt #: 273 total cpu time spent up to now is 319.1 secs Computing kpt #: 274 total cpu time spent up to now is 320.3 secs Computing kpt #: 275 total cpu time spent up to now is 321.5 secs Computing kpt #: 276 total cpu time spent up to now is 322.7 secs Computing kpt #: 277 total cpu time spent up to now is 323.9 secs Computing kpt #: 278 total cpu time spent up to now is 325.2 secs Computing kpt #: 279 total cpu time spent up to now is 326.3 secs Computing kpt #: 280 total cpu time spent up to now is 327.6 secs Computing kpt #: 281 total cpu time spent up to now is 328.8 secs Computing kpt #: 282 total cpu time spent up to now is 330.0 secs Computing kpt #: 283 total cpu time spent up to now is 331.2 secs Computing kpt #: 284 total cpu time spent up to now is 332.5 secs Computing kpt #: 285 total cpu time spent up to now is 333.7 secs Computing kpt #: 286 total cpu time spent up to now is 335.0 secs Computing kpt #: 287 total cpu time spent up to now is 336.2 secs Computing kpt #: 288 total cpu time spent up to now is 337.4 secs Computing kpt #: 289 total cpu time spent up to now is 338.7 secs Computing kpt #: 290 total cpu time spent up to now is 339.9 secs ethr = 1.92E-08, avg # of iterations = 21.6 total cpu time spent up to now is 339.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5229 PWs) bands (ev): -6.2266 -6.2266 -3.3029 -3.3029 -3.3014 -3.3014 -3.2863 -3.2863 -1.7719 -1.7719 -0.0646 -0.0646 -0.0159 -0.0159 0.0777 0.0777 0.1587 0.1587 0.2319 0.2319 0.3099 0.3099 0.3542 0.3542 0.4694 0.4694 0.4887 0.4887 0.5193 0.5193 0.5786 0.5786 2.0732 2.0732 2.4520 2.4520 2.4601 2.4601 2.7867 2.7867 3.3020 3.3020 4.4336 4.4336 4.4436 4.4436 6.6343 6.6343 6.6778 6.6778 6.8219 6.8219 8.0885 8.0885 8.6490 8.6490 9.3745 9.3745 10.0857 10.0857 10.1289 10.1289 k = 0.0000 0.0000 0.0202 ( 5221 PWs) bands (ev): -6.2256 -6.2256 -3.3059 -3.3048 -3.3031 -3.3030 -3.2862 -3.2853 -1.7701 -1.7693 -0.0663 -0.0631 -0.0192 -0.0137 0.0762 0.0788 0.1506 0.1668 0.2302 0.2336 0.3066 0.3091 0.3474 0.3640 0.4578 0.4808 0.4871 0.4904 0.5179 0.5188 0.5721 0.5901 2.0727 2.0730 2.4504 2.4519 2.4589 2.4602 2.7908 2.7920 3.3038 3.3038 4.4308 4.4331 4.4431 4.4440 6.6269 6.6289 6.6722 6.6729 6.8170 6.8191 8.0933 8.0950 8.6549 8.6553 9.3818 9.3822 10.0861 10.0878 10.1298 10.1301 k = 0.0000 0.0000 0.0403 ( 5213 PWs) bands (ev): -6.2226 -6.2226 -3.3141 -3.3127 -3.3068 -3.3068 -3.2855 -3.2844 -1.7642 -1.7626 -0.0681 -0.0617 -0.0235 -0.0125 0.0743 0.0795 0.1426 0.1745 0.2285 0.2353 0.2986 0.3061 0.3447 0.3744 0.4467 0.4830 0.4922 0.4936 0.5149 0.5174 0.5717 0.6046 2.0714 2.0720 2.4470 2.4507 2.4566 2.4603 2.8038 2.8061 3.3088 3.3088 4.4207 4.4252 4.4471 4.4490 6.6008 6.6047 6.6623 6.6639 6.8047 6.8083 8.1088 8.1120 8.6734 8.6742 9.4033 9.4040 10.0892 10.0916 10.1333 10.1341 k = 0.0000 0.0000 0.0605 ( 5213 PWs) bands (ev): -6.2176 -6.2176 -3.3268 -3.3254 -3.3128 -3.3128 -3.2850 -3.2839 -1.7542 -1.7518 -0.0701 -0.0605 -0.0288 -0.0123 0.0719 0.0794 0.1352 0.1814 0.2268 0.2368 0.2878 0.3019 0.3448 0.3838 0.4362 0.4794 0.4938 0.4995 0.5159 0.5160 0.5763 0.6209 2.0690 2.0698 2.4428 2.4489 2.4546 2.4613 2.8248 2.8278 3.3162 3.3162 4.4038 4.4099 4.4568 4.4591 6.5516 6.5561 6.6554 6.6573 6.7852 6.7896 8.1334 8.1377 8.7056 8.7064 9.4360 9.4374 10.0944 10.0961 10.1407 10.1420 k = 0.0000 0.0000 0.0806 ( 5209 PWs) bands (ev): -6.2106 -6.2106 -3.3435 -3.3423 -3.3211 -3.3210 -3.2849 -3.2839 -1.7404 -1.7372 -0.0724 -0.0595 -0.0350 -0.0131 0.0692 0.0786 0.1288 0.1874 0.2252 0.2383 0.2768 0.2972 0.3460 0.3918 0.4263 0.4742 0.4954 0.4976 0.5148 0.5254 0.5846 0.6379 2.0651 2.0660 2.4395 2.4473 2.4548 2.4639 2.8521 2.8555 3.3246 3.3248 4.3828 4.3904 4.4707 4.4735 6.4825 6.4869 6.6500 6.6520 6.7588 6.7633 8.1646 8.1698 8.7527 8.7535 9.4762 9.4785 10.1001 10.1004 10.1547 10.1557 k = 0.0000 0.0000 0.1008 ( 5197 PWs) bands (ev): -6.2016 -6.2016 -3.3642 -3.3631 -3.3315 -3.3314 -3.2851 -3.2843 -1.7229 -1.7190 -0.0750 -0.0590 -0.0416 -0.0147 0.0660 0.0767 0.1237 0.1917 0.2237 0.2398 0.2671 0.2923 0.3472 0.3981 0.4172 0.4674 0.4947 0.4967 0.5141 0.5364 0.5953 0.6547 2.0591 2.0600 2.4389 2.4475 2.4578 2.4688 2.8845 2.8880 3.3324 3.3330 4.3606 4.3693 4.4886 4.4919 6.3974 6.4014 6.6441 6.6463 6.7257 6.7301 8.1997 8.2054 8.8160 8.8165 9.5192 9.5227 10.1038 10.1045 10.1761 10.1774 k = 0.0000 0.0000 0.1210 ( 5201 PWs) bands (ev): -6.1907 -6.1907 -3.3884 -3.3874 -3.3440 -3.3439 -3.2858 -3.2851 -1.7021 -1.6975 -0.0781 -0.0603 -0.0473 -0.0171 0.0624 0.0736 0.1202 0.1939 0.2222 0.2414 0.2597 0.2874 0.3479 0.4029 0.4091 0.4599 0.4925 0.4977 0.5142 0.5467 0.6074 0.6706 2.0507 2.0516 2.4424 2.4514 2.4640 2.4766 2.9206 2.9240 3.3380 3.3391 4.3401 4.3497 4.5101 4.5139 6.2996 6.3033 6.6360 6.6386 6.6878 6.6916 8.2364 8.2421 8.8964 8.8965 9.5607 9.5658 10.1064 10.1076 10.2030 10.2087 k = 0.0000 0.0000 0.1411 ( 5193 PWs) bands (ev): -6.1778 -6.1778 -3.4160 -3.4151 -3.3585 -3.3583 -3.2868 -3.2862 -1.6784 -1.6731 -0.0817 -0.0656 -0.0497 -0.0199 0.0584 0.0696 0.1183 0.1935 0.2209 0.2434 0.2552 0.2826 0.3478 0.4021 0.4064 0.4522 0.4909 0.4982 0.5149 0.5556 0.6198 0.6851 2.0398 2.0407 2.4512 2.4601 2.4735 2.4874 2.9596 2.9627 3.3399 3.3417 4.3244 4.3344 4.5349 4.5393 6.1919 6.1954 6.6176 6.6217 6.6530 6.6551 8.2729 8.2783 8.9929 8.9938 9.5977 9.6047 10.1083 10.1095 10.2354 10.2466 k = 0.0000 0.0000 0.1613 ( 5191 PWs) bands (ev): -6.1629 -6.1629 -3.4465 -3.4457 -3.3747 -3.3745 -3.2882 -3.2878 -1.6520 -1.6461 -0.0859 -0.0742 -0.0496 -0.0231 0.0540 0.0649 0.1176 0.1907 0.2196 0.2458 0.2534 0.2780 0.3467 0.3964 0.4089 0.4448 0.4898 0.4979 0.5165 0.5630 0.6317 0.6976 2.0263 2.0272 2.4661 2.4747 2.4858 2.5007 3.0008 3.0034 3.3372 3.3399 4.3159 4.3261 4.5626 4.5676 6.0767 6.0802 6.5747 6.5792 6.6359 6.6374 8.3086 8.3135 9.1052 9.1068 9.6287 9.6374 10.1098 10.1108 10.2722 10.2885 k = 0.0000 0.0000 0.1814 ( 5195 PWs) bands (ev): -6.1462 -6.1462 -3.4795 -3.4788 -3.3925 -3.3923 -3.2900 -3.2897 -1.6233 -1.6168 -0.0909 -0.0842 -0.0486 -0.0265 0.0494 0.0600 0.1177 0.1863 0.2183 0.2473 0.2546 0.2737 0.3446 0.3920 0.4104 0.4377 0.4889 0.4970 0.5188 0.5688 0.6423 0.7077 2.0107 2.0116 2.4877 2.4958 2.4998 2.5155 3.0435 3.0456 3.3304 3.3340 4.3167 4.3267 4.5927 4.5983 5.9564 5.9600 6.5186 6.5228 6.6257 6.6274 8.3434 8.3475 9.2313 9.2336 9.6534 9.6637 10.1112 10.1118 10.3120 10.3327 k = 0.0000 0.0000 0.2016 ( 5191 PWs) bands (ev): -6.1275 -6.1275 -3.5147 -3.5141 -3.4117 -3.4116 -3.2924 -3.2922 -1.5926 -1.5855 -0.0967 -0.0949 -0.0473 -0.0299 0.0447 0.0552 0.1185 0.1813 0.2170 0.2475 0.2583 0.2697 0.3417 0.3888 0.4112 0.4311 0.4881 0.4954 0.5217 0.5731 0.6509 0.7150 1.9933 1.9942 2.5133 2.5160 2.5242 2.5307 3.0873 3.0888 3.3212 3.3257 4.3273 4.3370 4.6242 4.6305 5.8331 5.8369 6.4559 6.4598 6.6163 6.6182 8.3774 8.3809 9.3690 9.3719 9.6726 9.6840 10.1128 10.1130 10.3541 10.3779 k = 0.0000 0.0000 0.2218 ( 5197 PWs) bands (ev): -6.1070 -6.1070 -3.5518 -3.5512 -3.4321 -3.4320 -3.2953 -3.2951 -1.5601 -1.5526 -0.1060 -0.1034 -0.0458 -0.0331 0.0399 0.0506 0.1196 0.1759 0.2157 0.2472 0.2631 0.2661 0.3380 0.3865 0.4111 0.4251 0.4875 0.4931 0.5251 0.5758 0.6573 0.7194 1.9745 1.9754 2.5246 2.5390 2.5557 2.5597 3.1319 3.1327 3.3127 3.3181 4.3478 4.3570 4.6561 4.6632 5.7089 5.7132 6.3884 6.3920 6.6065 6.6086 8.4112 8.4140 9.5152 9.5185 9.6872 9.6994 10.1152 10.1155 10.3980 10.4240 k = 0.0000 0.0000 0.2419 ( 5201 PWs) bands (ev): -6.0846 -6.0846 -3.5905 -3.5899 -3.4536 -3.4535 -3.2988 -3.2987 -1.5261 -1.5181 -0.1175 -0.1108 -0.0441 -0.0360 0.0351 0.0464 0.1209 0.1706 0.2144 0.2466 0.2629 0.2684 0.3340 0.3849 0.4102 0.4200 0.4868 0.4902 0.5289 0.5771 0.6612 0.7210 1.9546 1.9555 2.5307 2.5463 2.5988 2.6027 3.1769 3.1769 3.3089 3.3151 4.3772 4.3859 4.6864 4.6944 5.5865 5.5916 6.3169 6.3203 6.5961 6.5983 8.4452 8.4474 9.6655 9.6685 9.6987 9.7107 10.1210 10.1217 10.4434 10.4708 k = 0.0000 0.0000 0.2621 ( 5207 PWs) bands (ev): -6.0604 -6.0604 -3.6304 -3.6299 -3.4759 -3.4759 -3.3031 -3.3030 -1.4908 -1.4825 -0.1290 -0.1189 -0.0424 -0.0386 0.0304 0.0426 0.1221 0.1653 0.2129 0.2458 0.2602 0.2738 0.3298 0.3837 0.4078 0.4162 0.4860 0.4867 0.5329 0.5769 0.6627 0.7197 1.9337 1.9347 2.5293 2.5450 2.6502 2.6528 3.2212 3.2221 3.3141 3.3208 4.4141 4.4223 4.7123 4.7212 5.4695 5.4757 6.2422 6.2455 6.5848 6.5872 8.4797 8.4812 9.7058 9.7187 9.8105 9.8144 10.1373 10.1385 10.4902 10.5183 k = 0.0000 0.0000 0.2823 ( 5219 PWs) bands (ev): -6.0344 -6.0344 -3.6713 -3.6708 -3.4988 -3.4988 -3.3081 -3.3081 -1.4543 -1.4458 -0.1407 -0.1275 -0.0409 -0.0405 0.0258 0.0392 0.1232 0.1600 0.2114 0.2447 0.2580 0.2792 0.3256 0.3827 0.4039 0.4138 0.4826 0.4852 0.5372 0.5754 0.6619 0.7160 1.9120 1.9131 2.5192 2.5347 2.7086 2.7099 3.2652 3.2672 3.3313 3.3384 4.4572 4.4649 4.7285 4.7384 5.3636 5.3709 6.1652 6.1682 6.5728 6.5753 8.5150 8.5159 9.7114 9.7241 9.9270 9.9300 10.1852 10.1862 10.5380 10.5663 k = 0.0000 0.0000 0.3024 ( 5221 PWs) bands (ev): -6.0067 -6.0067 -3.7130 -3.7125 -3.5222 -3.5222 -3.3140 -3.3140 -1.4169 -1.4083 -0.1523 -0.1366 -0.0428 -0.0386 0.0212 0.0362 0.1241 0.1548 0.2098 0.2434 0.2563 0.2847 0.3214 0.3819 0.3994 0.4121 0.4780 0.4842 0.5416 0.5725 0.6591 0.7100 1.8893 1.8905 2.5005 2.5155 2.7735 2.7736 3.3087 3.3119 3.3624 3.3695 4.5050 4.5122 4.7271 4.7376 5.2773 5.2857 6.0866 6.0895 6.5600 6.5626 8.5513 8.5517 9.7150 9.7272 9.9867 9.9878 10.2897 10.2899 10.5865 10.6146 k = 0.0000 0.0000 0.3226 ( 5221 PWs) bands (ev): -5.9773 -5.9773 -3.7552 -3.7548 -3.5459 -3.5458 -3.3208 -3.3208 -1.3786 -1.3700 -0.1638 -0.1461 -0.0445 -0.0366 0.0169 0.0337 0.1247 0.1496 0.2082 0.2418 0.2552 0.2899 0.3174 0.3813 0.3947 0.4106 0.4729 0.4829 0.5461 0.5685 0.6545 0.7021 1.8651 1.8666 2.4752 2.4895 2.8429 2.8446 3.3514 3.3558 3.4072 3.4142 4.5562 4.5630 4.6991 4.7090 5.2208 5.2291 6.0074 6.0102 6.5464 6.5491 8.5887 8.5888 9.7167 9.7284 10.0039 10.0041 10.4285 10.4293 10.6344 10.6612 k = 0.0000 0.0000 0.3427 ( 5213 PWs) bands (ev): -5.9462 -5.9462 -3.7979 -3.7974 -3.5696 -3.5695 -3.3286 -3.3286 -1.3397 -1.3312 -0.1753 -0.1558 -0.0459 -0.0346 0.0126 0.0316 0.1248 0.1444 0.2067 0.2400 0.2546 0.2948 0.3137 0.3806 0.3900 0.4090 0.4675 0.4813 0.5506 0.5634 0.6486 0.6927 1.8392 1.8412 2.4459 2.4593 2.9174 2.9207 3.3926 3.3984 3.4647 3.4712 4.6092 4.6158 4.6417 4.6499 5.1974 5.2046 5.9289 5.9317 6.5320 6.5348 8.6269 8.6275 9.7168 9.7278 10.0029 10.0040 10.5672 10.5684 10.6755 10.6962 k = 0.0000 0.0000 0.3629 ( 5207 PWs) bands (ev): -5.9135 -5.9135 -3.8408 -3.8403 -3.5933 -3.5931 -3.3375 -3.3374 -1.3001 -1.2920 -0.1866 -0.1658 -0.0471 -0.0324 0.0085 0.0298 0.1245 0.1392 0.2054 0.2379 0.2545 0.2987 0.3107 0.3800 0.3853 0.4073 0.4618 0.4793 0.5550 0.5574 0.6418 0.6823 1.8110 1.8136 2.4159 2.4280 2.9961 3.0010 3.4316 3.4388 3.5332 3.5393 4.5602 4.5651 4.6656 4.6711 5.1994 5.2049 5.8529 5.8555 6.5170 6.5199 8.6665 8.6676 9.7153 9.7254 9.9940 9.9957 10.6790 10.6815 10.6851 10.6930 k = 0.0000 0.0000 0.3831 ( 5221 PWs) bands (ev): -5.8793 -5.8792 -3.8838 -3.8833 -3.6166 -3.6164 -3.3475 -3.3474 -1.2601 -1.2524 -0.1979 -0.1758 -0.0481 -0.0303 0.0045 0.0282 0.1235 0.1339 0.2043 0.2356 0.2547 0.2998 0.3104 0.3794 0.3807 0.4054 0.4559 0.4769 0.5506 0.5589 0.6342 0.6712 1.7801 1.7837 2.3878 2.3984 3.0779 3.0844 3.4669 3.4760 3.6113 3.6167 4.4678 4.4703 4.7209 4.7261 5.2145 5.2185 5.7819 5.7844 6.5014 6.5044 8.7074 8.7089 9.7120 9.7214 9.9804 9.9825 10.6672 10.6716 10.7471 10.7519 k = 0.0000 0.0000 0.4032 ( 5229 PWs) bands (ev): -5.8436 -5.8435 -3.9267 -3.9263 -3.6395 -3.6392 -3.3587 -3.3586 -1.2197 -1.2127 -0.2091 -0.1860 -0.0490 -0.0281 0.0006 0.0269 0.1219 0.1286 0.2036 0.2330 0.2552 0.2973 0.3134 0.3760 0.3788 0.4034 0.4499 0.4739 0.5433 0.5623 0.6264 0.6599 1.7466 1.7512 2.3638 2.3728 3.1613 3.1695 3.4966 3.5077 3.6974 3.7022 4.3738 4.3738 4.7760 4.7809 5.2319 5.2347 5.7199 5.7223 6.4853 6.4884 8.7496 8.7515 9.7070 9.7155 9.9631 9.9655 10.6455 10.6489 10.7769 10.7842 k = 0.0000 0.0000 0.4234 ( 5223 PWs) bands (ev): -5.8064 -5.8063 -3.9697 -3.9693 -3.6617 -3.6614 -3.3712 -3.3710 -1.1790 -1.1728 -0.2202 -0.1962 -0.0496 -0.0259 -0.0031 0.0259 0.1197 0.1233 0.2032 0.2301 0.2561 0.2934 0.3175 0.3714 0.3783 0.4013 0.4440 0.4704 0.5355 0.5649 0.6184 0.6487 1.7105 1.7164 2.3456 2.3527 3.2444 3.2542 3.5177 3.5309 3.7903 3.7946 4.2844 4.2865 4.8302 4.8346 5.2420 5.2440 5.6727 5.6749 6.4688 6.4720 8.7930 8.7954 9.7001 9.7078 9.9425 9.9452 10.6245 10.6274 10.7852 10.7942 k = 0.0000 0.0000 0.4435 ( 5235 PWs) bands (ev): -5.7679 -5.7678 -4.0124 -4.0120 -3.6832 -3.6828 -3.3848 -3.3846 -1.1382 -1.1329 -0.2312 -0.2065 -0.0502 -0.0236 -0.0068 0.0250 0.1171 0.1181 0.2031 0.2268 0.2572 0.2890 0.3217 0.3667 0.3779 0.3991 0.4383 0.4664 0.5275 0.5664 0.6105 0.6379 1.6726 1.6798 2.3338 2.3390 3.3238 3.3350 3.5264 3.5411 3.8891 3.8928 4.2112 4.2148 4.8826 4.8865 5.2368 5.2379 5.6468 5.6486 6.4521 6.4554 8.8375 8.8403 9.6911 9.6978 9.9187 9.9216 10.6050 10.6076 10.7831 10.7933 k = 0.0000 0.0000 0.4637 ( 5235 PWs) bands (ev): -5.7280 -5.7280 -4.0549 -4.0545 -3.7038 -3.7033 -3.3998 -3.3994 -1.0972 -1.0931 -0.2423 -0.2168 -0.0506 -0.0214 -0.0103 0.0243 0.1129 0.1140 0.2034 0.2232 0.2585 0.2845 0.3258 0.3619 0.3777 0.3967 0.4329 0.4620 0.5195 0.5663 0.6026 0.6280 1.6338 1.6423 2.3287 2.3321 3.3917 3.4019 3.5243 3.5372 3.9929 3.9960 4.1634 4.1674 4.9328 4.9361 5.2130 5.2135 5.6448 5.6461 6.4354 6.4387 8.8830 8.8861 9.6796 9.6855 9.8915 9.8945 10.5871 10.5895 10.7766 10.7875 k = 0.0000 0.0000 0.4839 ( 5231 PWs) bands (ev): -5.6870 -5.6869 -4.0972 -4.0968 -3.7233 -3.7228 -3.4159 -3.4155 -1.0563 -1.0535 -0.2533 -0.2272 -0.0509 -0.0191 -0.0137 0.0236 0.1079 0.1107 0.2039 0.2191 0.2599 0.2800 0.3297 0.3569 0.3776 0.3944 0.4279 0.4572 0.5116 0.5645 0.5949 0.6192 1.5954 1.6052 2.3302 2.3319 3.4187 3.4195 3.5408 3.5412 4.1008 4.1033 4.1474 4.1504 4.9800 4.9827 5.1748 5.1750 5.6626 5.6636 6.4189 6.4222 8.9292 8.9327 9.6652 9.6703 9.8607 9.8637 10.5706 10.5728 10.7685 10.7797 k = 0.0000 0.0000 0.5040 ( 5215 PWs) bands (ev): -5.6448 -5.6447 -4.1392 -4.1388 -3.7417 -3.7411 -3.4333 -3.4328 -1.0154 -1.0143 -0.2643 -0.2376 -0.0511 -0.0169 -0.0167 0.0231 0.1030 0.1073 0.2045 0.2144 0.2614 0.2758 0.3333 0.3519 0.3779 0.3920 0.4232 0.4522 0.5040 0.5608 0.5871 0.6115 1.5584 1.5696 2.3380 2.3382 3.3708 3.3783 3.5802 3.5905 4.1623 4.1624 4.2122 4.2150 5.0237 5.0257 5.1297 5.1299 5.6936 5.6942 6.4027 6.4060 8.9758 8.9798 9.6475 9.6519 9.8260 9.8288 10.5550 10.5570 10.7604 10.7716 k = 0.0000 0.0000 0.5242 ( 5220 PWs) bands (ev): -5.6016 -5.6015 -4.1809 -4.1806 -3.7587 -3.7581 -3.4519 -3.4513 -0.9755 -0.9749 -0.2754 -0.2482 -0.0512 -0.0200 -0.0144 0.0225 0.0984 0.1039 0.2052 0.2091 0.2628 0.2718 0.3366 0.3466 0.3784 0.3896 0.4190 0.4470 0.4968 0.5554 0.5791 0.6042 1.5242 1.5367 2.3505 2.3515 3.2932 3.3009 3.6272 3.6405 4.1999 4.2020 4.3263 4.3287 5.0635 5.0641 5.0850 5.0860 5.7321 5.7323 6.3871 6.3904 9.0225 9.0268 9.6259 9.6295 9.7869 9.7896 10.5397 10.5414 10.7532 10.7642 k = 0.0000 0.0000 0.5443 ( 5212 PWs) bands (ev): -5.5574 -5.5573 -4.2224 -4.2220 -3.7744 -3.7737 -3.4715 -3.4708 -0.9374 -0.9347 -0.2866 -0.2589 -0.0512 -0.0229 -0.0121 0.0219 0.0941 0.1006 0.2031 0.2059 0.2641 0.2684 0.3396 0.3413 0.3792 0.3874 0.4151 0.4419 0.4900 0.5488 0.5707 0.5971 1.4939 1.5078 2.3683 2.3705 3.2015 3.2076 3.6664 3.6805 4.2544 4.2584 4.4423 4.4447 5.0464 5.0466 5.0990 5.0997 5.7744 5.7744 6.3724 6.3756 9.0685 9.0732 9.5996 9.6025 9.7435 9.7459 10.5239 10.5250 10.7474 10.7580 k = 0.0000 0.0000 0.5645 ( 5214 PWs) bands (ev): -5.5123 -5.5122 -4.2637 -4.2633 -3.7885 -3.7878 -3.4921 -3.4914 -0.8999 -0.8951 -0.2980 -0.2696 -0.0511 -0.0257 -0.0098 0.0214 0.0902 0.0976 0.1965 0.2063 0.2652 0.2657 0.3358 0.3423 0.3803 0.3853 0.4116 0.4369 0.4836 0.5415 0.5619 0.5892 1.4685 1.4838 2.3913 2.3944 3.1024 3.1067 3.6940 3.7078 4.3188 4.3242 4.5594 4.5620 5.0190 5.0200 5.1291 5.1297 5.8182 5.8185 6.3586 6.3618 9.1128 9.1180 9.5679 9.5701 9.6960 9.6980 10.5060 10.5064 10.7434 10.7535 k = 0.0000 0.0000 0.5847 ( 5220 PWs) bands (ev): -5.4665 -5.4664 -4.3047 -4.3044 -3.8010 -3.8002 -3.5136 -3.5128 -0.8632 -0.8561 -0.3096 -0.2806 -0.0510 -0.0284 -0.0075 0.0208 0.0867 0.0950 0.1893 0.2064 0.2638 0.2661 0.3304 0.3445 0.3818 0.3835 0.4085 0.4321 0.4778 0.5338 0.5525 0.5802 1.4487 1.4656 2.4190 2.4228 2.9997 3.0020 3.7087 3.7215 4.3862 4.3924 4.6766 4.6798 5.0077 5.0094 5.1535 5.1557 5.8622 5.8628 6.3461 6.3492 9.1536 9.1593 9.5299 9.5315 9.6458 9.6474 10.4834 10.4841 10.7413 10.7509 k = 0.0000 0.0000 0.6048 ( 5220 PWs) bands (ev): -5.4201 -5.4200 -4.3457 -4.3453 -3.8118 -3.8110 -3.5358 -3.5349 -0.8275 -0.8180 -0.3214 -0.2918 -0.0507 -0.0308 -0.0053 0.0202 0.0836 0.0928 0.1816 0.2060 0.2626 0.2667 0.3251 0.3463 0.3820 0.3834 0.4057 0.4277 0.4725 0.5261 0.5426 0.5700 1.4352 1.4538 2.4512 2.4556 2.8955 2.8959 3.7101 3.7215 4.4509 4.4575 4.7924 4.7969 5.0164 5.0187 5.1729 5.1773 5.9055 5.9066 6.3348 6.3378 9.1874 9.1936 9.4848 9.4859 9.5963 9.5974 10.4537 10.4561 10.7409 10.7495 k = 0.0000 0.0000 0.6250 ( 5222 PWs) bands (ev): -5.3731 -5.3730 -4.3865 -4.3862 -3.8208 -3.8199 -3.5586 -3.5576 -0.7929 -0.7808 -0.3334 -0.3032 -0.0505 -0.0331 -0.0031 0.0197 0.0811 0.0912 0.1737 0.2049 0.2623 0.2671 0.3199 0.3478 0.3809 0.3852 0.4033 0.4236 0.4676 0.5184 0.5323 0.5585 1.4284 1.4488 2.4876 2.4923 2.7901 2.7915 3.6983 3.7082 4.5090 4.5155 4.9043 4.9114 5.0475 5.0501 5.1880 5.1957 5.9476 5.9490 6.3250 6.3278 9.2077 9.2144 9.4322 9.4328 9.5543 9.5549 10.4161 10.4202 10.7245 10.7260 k = 0.0000 0.0000 0.6452 ( 5220 PWs) bands (ev): -5.3257 -5.3256 -4.4274 -4.4270 -3.8279 -3.8269 -3.5817 -3.5807 -0.7595 -0.7447 -0.3458 -0.3149 -0.0502 -0.0352 -0.0009 0.0192 0.0792 0.0902 0.1656 0.2027 0.2627 0.2673 0.3152 0.3488 0.3802 0.3868 0.4014 0.4201 0.4632 0.5108 0.5218 0.5462 1.4287 1.4507 2.5277 2.5326 2.6854 2.6887 3.6742 3.6825 4.5596 4.5654 5.0070 5.0193 5.0997 5.1022 5.2016 5.2153 5.9878 5.9896 6.3164 6.3190 9.2048 9.2116 9.3720 9.3721 9.5303 9.5308 10.3710 10.3766 10.6958 10.6980 k = 0.0000 0.0000 0.6653 ( 5224 PWs) bands (ev): -5.2780 -5.2779 -4.4683 -4.4680 -3.8330 -3.8320 -3.6050 -3.6039 -0.7273 -0.7099 -0.3585 -0.3270 -0.0498 -0.0370 0.0011 0.0187 0.0779 0.0899 0.1574 0.1993 0.2640 0.2674 0.3108 0.3493 0.3799 0.3880 0.4001 0.4169 0.4592 0.5032 0.5112 0.5334 1.4361 1.4596 2.5705 2.5730 2.5860 2.5886 3.6391 3.6458 4.6042 4.6091 5.0870 5.1064 5.1684 5.1707 5.2266 5.2485 6.0258 6.0282 6.3090 6.3114 9.1732 9.1796 9.3045 9.3047 9.5313 9.5323 10.3213 10.3277 10.6755 10.6807 k = 0.0000 0.0000 0.6855 ( 5226 PWs) bands (ev): -5.2301 -5.2300 -4.5094 -4.5091 -3.8362 -3.8351 -3.6283 -3.6271 -0.6964 -0.6765 -0.3716 -0.3395 -0.0494 -0.0387 0.0032 0.0184 0.0772 0.0904 0.1493 0.1946 0.2661 0.2677 0.3068 0.3492 0.3801 0.3884 0.3997 0.4142 0.4556 0.4955 0.5009 0.5210 1.4507 1.4754 2.4813 2.4886 2.6191 2.6243 3.5948 3.6000 4.6453 4.6493 5.1261 5.1442 5.2478 5.2492 5.2911 5.3123 6.0615 6.0643 6.3026 6.3047 9.1190 9.1248 9.2310 9.2316 9.5531 9.5547 10.2698 10.2764 10.6629 10.6705 k = 0.0000 0.0000 0.7056 ( 5226 PWs) bands (ev): -5.1821 -5.1820 -4.5508 -4.5505 -3.8372 -3.8362 -3.6513 -3.6501 -0.6670 -0.6445 -0.3852 -0.3525 -0.0491 -0.0402 0.0051 0.0180 0.0772 0.0917 0.1414 0.1885 0.2682 0.2691 0.3031 0.3484 0.3807 0.3882 0.3998 0.4119 0.4524 0.4876 0.4912 0.5097 1.4723 1.4980 2.3835 2.3927 2.6694 2.6745 3.5431 3.5470 4.6852 4.6881 5.1334 5.1460 5.3322 5.3324 5.3799 5.3960 6.0945 6.0979 6.2969 6.2986 9.0532 9.0583 9.1539 9.1548 9.5871 9.5893 10.2186 10.2252 10.6558 10.6654 k = 0.0000 0.0000 0.7258 ( 5228 PWs) bands (ev): -5.1342 -5.1341 -4.5925 -4.5922 -3.8362 -3.8351 -3.6738 -3.6726 -0.6389 -0.6142 -0.3994 -0.3661 -0.0487 -0.0414 0.0069 0.0178 0.0778 0.0938 0.1337 0.1812 0.2691 0.2729 0.2996 0.3466 0.3817 0.3876 0.4001 0.4097 0.4497 0.4799 0.4823 0.5000 1.5008 1.5271 2.2889 2.3000 2.7228 2.7277 3.4858 3.4885 4.7249 4.7269 5.1254 5.1345 5.4160 5.4170 5.4687 5.4817 6.1247 6.1287 6.2916 6.2928 8.9842 8.9887 9.0758 9.0769 9.6274 9.6301 10.1690 10.1753 10.6526 10.6639 k = 0.0000 0.0000 0.7460 ( 5236 PWs) bands (ev): -5.0864 -5.0864 -4.6346 -4.6344 -3.8331 -3.8320 -3.6956 -3.6943 -0.6123 -0.5854 -0.4141 -0.3804 -0.0483 -0.0425 0.0086 0.0175 0.0791 0.0969 0.1263 0.1728 0.2704 0.2776 0.2963 0.3437 0.3830 0.3870 0.3999 0.4076 0.4476 0.4730 0.4743 0.4919 1.5360 1.5625 2.1976 2.2107 2.7790 2.7835 3.4244 3.4261 4.7648 4.7661 5.1090 5.1158 5.4961 5.4983 5.5497 5.5608 6.1521 6.1565 6.2864 6.2869 8.9181 8.9221 8.9999 9.0010 9.6708 9.6738 10.1211 10.1270 10.6522 10.6648 k = 0.0000 0.0000 0.7661 ( 5236 PWs) bands (ev): -5.0389 -5.0389 -4.6772 -4.6770 -3.8279 -3.8267 -3.7165 -3.7152 -0.5871 -0.5583 -0.4295 -0.3954 -0.0479 -0.0434 0.0101 0.0172 0.0811 0.1010 0.1193 0.1638 0.2720 0.2831 0.2932 0.3394 0.3848 0.3868 0.3989 0.4053 0.4462 0.4674 0.4677 0.4851 1.5776 1.6039 2.1101 2.1251 2.8376 2.8419 3.3603 3.3610 4.8051 4.8057 5.0867 5.0920 5.5691 5.5725 5.6191 5.6290 6.1765 6.1813 6.2807 6.2809 8.8596 8.8630 8.9293 8.9304 9.7156 9.7190 10.0747 10.0803 10.6536 10.6675 k = 0.0000 0.0000 0.7863 ( 5228 PWs) bands (ev): -4.9918 -4.9918 -4.7203 -4.7202 -3.8206 -3.8194 -3.7362 -3.7349 -0.5633 -0.5329 -0.4457 -0.4114 -0.0475 -0.0442 0.0116 0.0168 0.0838 0.1062 0.1127 0.1545 0.2740 0.2894 0.2901 0.3339 0.3869 0.3871 0.3973 0.4029 0.4457 0.4615 0.4647 0.4794 1.6253 1.6511 2.0266 2.0435 2.8986 2.9024 3.2943 3.2944 4.8453 4.8453 5.0599 5.0641 5.6319 5.6366 5.6740 5.6832 6.1980 6.2030 6.2738 6.2749 8.8123 8.8152 8.8676 8.8685 9.7609 9.7645 10.0294 10.0347 10.6566 10.6716 k = 0.0000 0.0000 0.8064 ( 5220 PWs) bands (ev): -4.9451 -4.9451 -4.7641 -4.7639 -3.8112 -3.8099 -3.7545 -3.7532 -0.5408 -0.5091 -0.4627 -0.4284 -0.0470 -0.0449 0.0128 0.0163 0.0872 0.1065 0.1123 0.1451 0.2763 0.2871 0.2964 0.3272 0.3879 0.3892 0.3952 0.4002 0.4461 0.4567 0.4638 0.4745 1.6790 1.7038 1.9474 1.9662 2.9615 2.9649 3.2268 3.2277 4.8846 4.8852 5.0295 5.0327 5.6818 5.6876 5.7123 5.7209 6.2166 6.2215 6.2659 6.2680 8.7794 8.7815 8.8179 8.8184 9.8062 9.8101 9.9848 9.9898 10.6609 10.6767 k = 0.0000 0.0000 0.8266 ( 5220 PWs) bands (ev): -4.8990 -4.8989 -4.8084 -4.8083 -3.7998 -3.7985 -3.7713 -3.7700 -0.5196 -0.4868 -0.4806 -0.4466 -0.0466 -0.0455 0.0140 0.0157 0.0912 0.1009 0.1194 0.1360 0.2788 0.2842 0.3039 0.3196 0.3892 0.3918 0.3930 0.3974 0.4474 0.4527 0.4647 0.4703 1.7383 1.7620 1.8728 1.8934 3.0262 3.0290 3.1593 3.1609 4.9232 4.9244 4.9962 4.9987 5.7164 5.7231 5.7324 5.7405 6.2323 6.2370 6.2566 6.2597 8.7629 8.7643 8.7829 8.7830 9.8512 9.8554 9.9404 9.9451 10.6662 10.6802 k = 0.0000 0.0000 0.8468 ( 5212 PWs) bands (ev): -4.8534 -4.8534 -4.8533 -4.8533 -3.7865 -3.7865 -3.7852 -3.7852 -0.4996 -0.4996 -0.4660 -0.4660 -0.0460 -0.0460 0.0149 0.0149 0.0957 0.0957 0.1274 0.1274 0.2814 0.2814 0.3118 0.3118 0.3909 0.3909 0.3946 0.3946 0.4497 0.4497 0.4670 0.4670 1.8030 1.8030 1.8252 1.8252 3.0922 3.0922 3.0945 3.0945 4.9606 4.9606 4.9624 4.9624 5.7337 5.7337 5.7411 5.7411 6.2455 6.2455 6.2496 6.2496 8.7640 8.7640 8.7648 8.7648 9.8960 9.8960 9.9004 9.9004 10.6727 10.6727 k = 0.0000 0.0000 0.8468 ( 5212 PWs) bands (ev): -4.8534 -4.8534 -4.8533 -4.8533 -3.7865 -3.7865 -3.7852 -3.7852 -0.4996 -0.4996 -0.4660 -0.4660 -0.0460 -0.0460 0.0149 0.0149 0.0957 0.0957 0.1274 0.1274 0.2814 0.2814 0.3118 0.3118 0.3909 0.3909 0.3946 0.3946 0.4497 0.4497 0.4670 0.4670 1.8030 1.8030 1.8252 1.8252 3.0922 3.0922 3.0945 3.0945 4.9606 4.9606 4.9624 4.9624 5.7337 5.7337 5.7411 5.7411 6.2455 6.2455 6.2496 6.2496 8.7640 8.7640 8.7648 8.7648 9.8960 9.8960 9.9004 9.9004 10.6727 10.6727 k =-0.0112 0.0152 0.8468 ( 5216 PWs) bands (ev): -4.8535 -4.8535 -4.8535 -4.8535 -3.7868 -3.7868 -3.7855 -3.7855 -0.4993 -0.4993 -0.4657 -0.4657 -0.0462 -0.0462 0.0153 0.0153 0.0930 0.0930 0.1313 0.1313 0.2808 0.2808 0.3130 0.3130 0.3858 0.3858 0.4005 0.4005 0.4494 0.4494 0.4687 0.4687 1.8031 1.8031 1.8253 1.8253 3.0926 3.0926 3.0950 3.0950 4.9572 4.9572 4.9590 4.9590 5.7329 5.7329 5.7403 5.7403 6.2421 6.2421 6.2463 6.2463 8.7666 8.7666 8.7674 8.7674 9.9029 9.9029 9.9073 9.9073 10.6714 10.6714 k =-0.0223 0.0305 0.8468 ( 5230 PWs) bands (ev): -4.8540 -4.8540 -4.8539 -4.8539 -3.7879 -3.7879 -3.7866 -3.7866 -0.4984 -0.4984 -0.4649 -0.4649 -0.0467 -0.0467 0.0164 0.0164 0.0876 0.0876 0.1406 0.1406 0.2793 0.2793 0.3165 0.3165 0.3801 0.3801 0.4083 0.4083 0.4496 0.4496 0.4734 0.4734 1.8035 1.8035 1.8256 1.8256 3.0938 3.0938 3.0963 3.0963 4.9472 4.9472 4.9490 4.9490 5.7305 5.7305 5.7380 5.7380 6.2318 6.2318 6.2367 6.2367 8.7741 8.7741 8.7752 8.7752 9.9235 9.9235 9.9278 9.9278 10.6674 10.6674 k =-0.0335 0.0457 0.8468 ( 5224 PWs) bands (ev): -4.8547 -4.8547 -4.8546 -4.8546 -3.7897 -3.7897 -3.7884 -3.7884 -0.4970 -0.4970 -0.4636 -0.4636 -0.0474 -0.0474 0.0177 0.0177 0.0825 0.0825 0.1522 0.1522 0.2774 0.2774 0.3213 0.3213 0.3756 0.3756 0.4156 0.4156 0.4519 0.4519 0.4808 0.4808 1.8040 1.8040 1.8260 1.8260 3.0957 3.0957 3.0986 3.0986 4.9308 4.9308 4.9324 4.9324 5.7266 5.7266 5.7340 5.7340 6.2152 6.2152 6.2210 6.2210 8.7867 8.7867 8.7881 8.7881 9.9568 9.9568 9.9610 9.9610 10.6603 10.6603 k =-0.0446 0.0610 0.8468 ( 5238 PWs) bands (ev): -4.8558 -4.8558 -4.8557 -4.8557 -3.7920 -3.7920 -3.7907 -3.7907 -0.4951 -0.4951 -0.4619 -0.4619 -0.0483 -0.0483 0.0187 0.0187 0.0790 0.0790 0.1646 0.1646 0.2757 0.2757 0.3267 0.3267 0.3725 0.3725 0.4208 0.4208 0.4582 0.4582 0.4906 0.4906 1.8048 1.8048 1.8266 1.8266 3.0984 3.0984 3.1017 3.1017 4.9081 4.9081 4.9097 4.9097 5.7211 5.7211 5.7286 5.7286 6.1928 6.1928 6.1996 6.1996 8.8043 8.8043 8.8059 8.8059 10.0015 10.0015 10.0054 10.0054 10.6495 10.6495 k =-0.0558 0.0762 0.8468 ( 5242 PWs) bands (ev): -4.8573 -4.8573 -4.8572 -4.8572 -3.7947 -3.7947 -3.7934 -3.7934 -0.4929 -0.4929 -0.4598 -0.4598 -0.0491 -0.0491 0.0187 0.0187 0.0779 0.0779 0.1770 0.1770 0.2746 0.2746 0.3315 0.3315 0.3712 0.3712 0.4231 0.4231 0.4698 0.4698 0.5034 0.5034 1.8058 1.8058 1.8274 1.8274 3.1018 3.1018 3.1057 3.1057 4.8795 4.8795 4.8812 4.8812 5.7141 5.7141 5.7216 5.7216 6.1654 6.1654 6.1732 6.1733 8.8267 8.8267 8.8286 8.8286 10.0556 10.0556 10.0591 10.0591 10.6341 10.6341 k =-0.0669 0.0915 0.8468 ( 5224 PWs) bands (ev): -4.8593 -4.8593 -4.8592 -4.8592 -3.7977 -3.7977 -3.7964 -3.7964 -0.4904 -0.4904 -0.4575 -0.4575 -0.0497 -0.0497 0.0177 0.0177 0.0791 0.0791 0.1887 0.1887 0.2744 0.2744 0.3350 0.3350 0.3723 0.3723 0.4237 0.4237 0.4858 0.4858 0.5196 0.5196 1.8071 1.8071 1.8285 1.8285 3.1061 3.1061 3.1103 3.1103 4.8455 4.8455 4.8474 4.8474 5.7057 5.7057 5.7133 5.7133 6.1338 6.1338 6.1427 6.1427 8.8537 8.8537 8.8558 8.8558 10.1163 10.1163 10.1193 10.1193 10.6139 10.6139 k =-0.0781 0.1067 0.8468 ( 5228 PWs) bands (ev): -4.8617 -4.8617 -4.8616 -4.8616 -3.8008 -3.8008 -3.7995 -3.7995 -0.4877 -0.4877 -0.4550 -0.4550 -0.0502 -0.0502 0.0157 0.0157 0.0823 0.0823 0.1990 0.1990 0.2751 0.2751 0.3365 0.3365 0.3757 0.3757 0.4232 0.4232 0.5057 0.5057 0.5394 0.5394 1.8087 1.8087 1.8297 1.8297 3.1110 3.1110 3.1157 3.1157 4.8068 4.8068 4.8089 4.8089 5.6958 5.6958 5.7037 5.7037 6.0989 6.0989 6.1087 6.1087 8.8850 8.8850 8.8873 8.8873 10.1800 10.1800 10.1828 10.1828 10.5889 10.5889 k =-0.0892 0.1219 0.8468 ( 5248 PWs) bands (ev): -4.8648 -4.8648 -4.8647 -4.8647 -3.8038 -3.8038 -3.8024 -3.8024 -0.4850 -0.4850 -0.4525 -0.4525 -0.0506 -0.0506 0.0129 0.0129 0.0867 0.0867 0.2073 0.2073 0.2771 0.2771 0.3365 0.3365 0.3806 0.3806 0.4224 0.4224 0.5293 0.5293 0.5630 0.5630 1.8106 1.8106 1.8313 1.8313 3.1166 3.1166 3.1218 3.1218 4.7638 4.7638 4.7663 4.7663 5.6846 5.6846 5.6927 5.6927 6.0613 6.0613 6.0721 6.0722 8.9201 8.9201 8.9225 8.9225 10.2416 10.2416 10.2449 10.2449 10.5605 10.5605 k =-0.1004 0.1372 0.8468 ( 5258 PWs) bands (ev): -4.8686 -4.8686 -4.8684 -4.8684 -3.8064 -3.8064 -3.8051 -3.8051 -0.4823 -0.4823 -0.4501 -0.4501 -0.0507 -0.0507 0.0100 0.0100 0.0919 0.0919 0.2136 0.2136 0.2803 0.2803 0.3356 0.3356 0.3861 0.3861 0.4216 0.4216 0.5564 0.5564 0.5905 0.5905 1.8129 1.8129 1.8331 1.8331 3.1228 3.1228 3.1284 3.1284 4.7175 4.7175 4.7204 4.7204 5.6721 5.6721 5.6806 5.6806 6.0219 6.0219 6.0338 6.0338 8.9583 8.9583 8.9609 8.9609 10.2938 10.2938 10.2985 10.2985 10.5327 10.5327 k =-0.1115 0.1524 0.8468 ( 5254 PWs) bands (ev): -4.8731 -4.8731 -4.8729 -4.8729 -3.8085 -3.8085 -3.8071 -3.8071 -0.4797 -0.4797 -0.4477 -0.4477 -0.0506 -0.0506 0.0069 0.0069 0.0974 0.0974 0.2178 0.2178 0.2846 0.2846 0.3343 0.3343 0.3914 0.3914 0.4208 0.4208 0.5869 0.5869 0.6215 0.6215 1.8158 1.8158 1.8355 1.8355 3.1295 3.1295 3.1356 3.1356 4.6685 4.6685 4.6718 4.6718 5.6584 5.6584 5.6674 5.6674 5.9813 5.9813 5.9944 5.9944 8.9991 8.9991 9.0017 9.0017 10.3243 10.3243 10.3308 10.3308 10.5146 10.5146 k =-0.1227 0.1677 0.8468 ( 5244 PWs) bands (ev): -4.8784 -4.8784 -4.8782 -4.8782 -3.8098 -3.8098 -3.8084 -3.8084 -0.4773 -0.4773 -0.4455 -0.4455 -0.0503 -0.0503 0.0040 0.0040 0.1028 0.1028 0.2203 0.2203 0.2894 0.2894 0.3330 0.3330 0.3962 0.3962 0.4203 0.4203 0.6206 0.6206 0.6556 0.6556 1.8193 1.8193 1.8384 1.8384 3.1367 3.1367 3.1432 3.1432 4.6177 4.6177 4.6215 4.6215 5.6434 5.6434 5.6531 5.6531 5.9403 5.9403 5.9546 5.9546 9.0415 9.0415 9.0442 9.0442 10.3206 10.3206 10.3286 10.3286 10.5161 10.5161 k =-0.1338 0.1829 0.8468 ( 5234 PWs) bands (ev): -4.8846 -4.8846 -4.8844 -4.8844 -3.8101 -3.8101 -3.8087 -3.8087 -0.4752 -0.4752 -0.4435 -0.4435 -0.0498 -0.0498 0.0013 0.0013 0.1081 0.1081 0.2216 0.2216 0.2945 0.2945 0.3318 0.3318 0.4001 0.4001 0.4202 0.4202 0.6568 0.6568 0.6921 0.6921 1.8237 1.8237 1.8420 1.8420 3.1443 3.1443 3.1511 3.1511 4.5659 4.5659 4.5702 4.5702 5.6272 5.6272 5.6378 5.6378 5.8994 5.8994 5.9150 5.9150 9.0845 9.0845 9.0873 9.0873 10.2875 10.2875 10.2960 10.2960 10.5292 10.5292 k =-0.1338 0.1829 0.8468 ( 5234 PWs) bands (ev): -4.8846 -4.8846 -4.8844 -4.8844 -3.8101 -3.8101 -3.8087 -3.8087 -0.4752 -0.4752 -0.4435 -0.4435 -0.0498 -0.0498 0.0013 0.0013 0.1081 0.1081 0.2216 0.2216 0.2945 0.2945 0.3318 0.3318 0.4001 0.4001 0.4202 0.4202 0.6568 0.6568 0.6921 0.6921 1.8237 1.8237 1.8420 1.8420 3.1443 3.1443 3.1511 3.1511 4.5659 4.5659 4.5702 4.5702 5.6272 5.6272 5.6378 5.6378 5.8994 5.8994 5.9150 5.9150 9.0845 9.0845 9.0873 9.0873 10.2875 10.2875 10.2960 10.2960 10.5292 10.5292 k =-0.1422 0.1943 0.8327 ( 5229 PWs) bands (ev): -4.9136 -4.9134 -4.8665 -4.8663 -3.8258 -3.8246 -3.7923 -3.7910 -0.4836 -0.4659 -0.4507 -0.4329 -0.0502 -0.0487 -0.0035 0.0025 0.1091 0.1142 0.2193 0.2246 0.2965 0.2998 0.3296 0.3325 0.4018 0.4025 0.4186 0.4227 0.6797 0.6850 0.7218 0.7252 1.7935 1.8113 1.8651 1.8824 3.1090 3.1164 3.1914 3.1980 4.5031 4.5068 4.5516 4.5547 5.5908 5.5953 5.6314 5.6340 5.8509 5.8558 5.9049 5.9132 9.1160 9.1188 9.1219 9.1244 10.2227 10.2285 10.2851 10.2907 10.5367 10.5387 k =-0.1505 0.2057 0.8186 ( 5231 PWs) bands (ev): -4.9416 -4.9414 -4.8509 -4.8506 -3.8414 -3.8402 -3.7718 -3.7706 -0.4923 -0.4665 -0.4493 -0.4233 -0.0505 -0.0475 -0.0078 0.0041 0.1098 0.1197 0.2169 0.2274 0.2981 0.3048 0.3276 0.3337 0.4024 0.4044 0.4181 0.4252 0.6965 0.7080 0.7588 0.7650 1.7707 1.7877 1.9070 1.9232 3.0753 3.0833 3.2368 3.2433 4.4402 4.4447 4.5354 4.5385 5.5381 5.5429 5.6132 5.6132 5.8115 5.8135 5.9128 5.9224 9.1524 9.1556 9.1615 9.1641 10.1487 10.1544 10.2820 10.2874 10.5362 10.5412 k =-0.1588 0.2170 0.8045 ( 5226 PWs) bands (ev): -4.9686 -4.9685 -4.8377 -4.8374 -3.8567 -3.8555 -3.7488 -3.7475 -0.5012 -0.4746 -0.4416 -0.4149 -0.0509 -0.0464 -0.0116 0.0061 0.1101 0.1246 0.2145 0.2299 0.2994 0.3093 0.3259 0.3353 0.4018 0.4058 0.4188 0.4277 0.7082 0.7254 0.8021 0.8095 1.7560 1.7717 1.9491 1.9643 3.0434 3.0521 3.2799 3.2862 4.3788 4.3840 4.5178 4.5209 5.4756 5.4802 5.5680 5.5711 5.7891 5.7907 5.9262 5.9367 9.1908 9.1944 9.2025 9.2055 10.0708 10.0765 10.2814 10.2870 10.5229 10.5302 k =-0.1671 0.2284 0.7904 ( 5226 PWs) bands (ev): -4.9947 -4.9945 -4.8269 -4.8266 -3.8717 -3.8705 -3.7233 -3.7221 -0.5103 -0.4840 -0.4338 -0.4075 -0.0512 -0.0455 -0.0147 0.0084 0.1101 0.1290 0.2122 0.2321 0.3005 0.3132 0.3243 0.3374 0.4004 0.4069 0.4202 0.4303 0.7152 0.7378 0.8500 0.8578 1.7501 1.7642 1.9913 2.0054 3.0134 3.0226 3.3199 3.3259 4.3196 4.3257 4.4989 4.5020 5.4065 5.4108 5.5036 5.5086 5.7803 5.7842 5.9427 5.9537 9.2260 9.2289 9.2463 9.2494 9.9934 9.9991 10.2841 10.2905 10.4987 10.5070 k =-0.1754 0.2398 0.7763 ( 5220 PWs) bands (ev): -5.0196 -5.0194 -4.8183 -4.8179 -3.8862 -3.8850 -3.6958 -3.6946 -0.5194 -0.4939 -0.4266 -0.4012 -0.0515 -0.0449 -0.0171 0.0111 0.1098 0.1327 0.2102 0.2340 0.3014 0.3164 0.3229 0.3397 0.3988 0.4076 0.4219 0.4330 0.7173 0.7454 0.9012 0.9089 1.7533 1.7654 2.0332 2.0463 2.9854 2.9952 3.3557 3.3615 4.2636 4.2705 4.4786 4.4815 5.3330 5.3370 5.4289 5.4348 5.7796 5.7849 5.9608 5.9722 9.2515 9.2537 9.2928 9.2959 9.9213 9.9271 10.2906 10.2982 10.4656 10.4744 k =-0.1838 0.2512 0.7622 ( 5220 PWs) bands (ev): -5.0434 -5.0432 -4.8116 -4.8113 -3.9002 -3.8991 -3.6666 -3.6654 -0.5287 -0.5040 -0.4202 -0.3957 -0.0518 -0.0447 -0.0188 0.0140 0.1092 0.1358 0.2084 0.2357 0.3021 0.3188 0.3220 0.3421 0.3971 0.4081 0.4238 0.4357 0.7146 0.7480 0.9551 0.9625 1.7656 1.7757 2.0748 2.0869 2.9595 2.9698 3.3864 3.3919 4.2115 4.2192 4.4565 4.4592 5.2569 5.2606 5.3496 5.3559 5.7822 5.7883 5.9798 5.9916 9.2616 9.2636 9.3403 9.3436 9.8607 9.8662 10.2993 10.3086 10.4278 10.4366 k =-0.1921 0.2625 0.7481 ( 5228 PWs) bands (ev): -5.0659 -5.0658 -4.8068 -4.8064 -3.9138 -3.9127 -3.6360 -3.6348 -0.5381 -0.5143 -0.4144 -0.3910 -0.0522 -0.0447 -0.0198 0.0172 0.1084 0.1385 0.2069 0.2371 0.3026 0.3188 0.3233 0.3442 0.3956 0.4084 0.4256 0.4385 0.7076 0.7460 1.0111 1.0181 1.7864 1.7946 2.1156 2.1268 2.9358 2.9465 3.4109 3.4163 4.1639 4.1726 4.4323 4.4349 5.1794 5.1829 5.2697 5.2759 5.7859 5.7925 5.9994 6.0114 9.2510 9.2533 9.3872 9.3910 9.8171 9.8223 10.3019 10.3118 10.3981 10.4048 k =-0.2004 0.2739 0.7340 ( 5219 PWs) bands (ev): -5.0873 -5.0871 -4.8035 -4.8031 -3.9267 -3.9256 -3.6045 -3.6034 -0.5476 -0.5248 -0.4092 -0.3871 -0.0525 -0.0449 -0.0202 0.0207 0.1073 0.1406 0.2058 0.2382 0.3029 0.3176 0.3258 0.3461 0.3943 0.4084 0.4273 0.4415 0.6967 0.7398 1.0686 1.0751 1.8152 1.8217 2.1556 2.1659 2.9143 2.9254 3.4285 3.4337 4.1212 4.1308 4.4058 4.4080 5.1019 5.1053 5.1917 5.1976 5.7897 5.7967 6.0192 6.0315 9.2174 9.2205 9.4318 9.4364 9.7935 9.7980 10.2781 10.2855 10.4003 10.4032 k =-0.2087 0.2853 0.7199 ( 5225 PWs) bands (ev): -5.1073 -5.1072 -4.8014 -4.8011 -3.9390 -3.9380 -3.5725 -3.5714 -0.5570 -0.5354 -0.4045 -0.3837 -0.0528 -0.0453 -0.0202 0.0244 0.1061 0.1423 0.2049 0.2390 0.3027 0.3164 0.3288 0.3475 0.3934 0.4083 0.4289 0.4447 0.6827 0.7300 1.1271 1.1331 1.8508 1.8561 2.1945 2.2040 2.8951 2.9065 3.4386 3.4437 4.0831 4.0935 4.3762 4.3780 5.0255 5.0289 5.1180 5.1234 5.7931 5.8004 6.0393 6.0517 9.1638 9.1676 9.4730 9.4786 9.7874 9.7912 10.2305 10.2371 10.4270 10.4336 k =-0.2171 0.2967 0.7058 ( 5225 PWs) bands (ev): -5.1260 -5.1259 -4.8005 -4.8001 -3.9506 -3.9496 -3.5405 -3.5395 -0.5665 -0.5460 -0.4004 -0.3810 -0.0531 -0.0456 -0.0201 0.0284 0.1047 0.1436 0.2042 0.2395 0.3018 0.3154 0.3320 0.3484 0.3927 0.4081 0.4303 0.4480 0.6664 0.7174 1.1861 1.1915 1.8920 1.8969 2.2321 2.2408 2.8782 2.8899 3.4416 3.4464 4.0487 4.0597 4.3431 4.3444 4.9520 4.9554 5.0503 5.0552 5.7960 5.8034 6.0593 6.0719 9.0962 9.1006 9.5098 9.5163 9.7934 9.7967 10.1753 10.1817 10.4683 10.4776 k =-0.2254 0.3080 0.6917 ( 5225 PWs) bands (ev): -5.1433 -5.1432 -4.8004 -4.8000 -3.9615 -3.9605 -3.5089 -3.5079 -0.5758 -0.5566 -0.3967 -0.3787 -0.0534 -0.0458 -0.0200 0.0326 0.1033 0.1446 0.2038 0.2398 0.3000 0.3149 0.3356 0.3487 0.3925 0.4078 0.4315 0.4517 0.6488 0.7027 1.2449 1.2497 1.9376 1.9428 2.2682 2.2762 2.8636 2.8755 3.4382 3.4427 4.0162 4.0277 4.3060 4.3066 4.8830 4.8867 4.9901 4.9945 5.7982 5.8058 6.0793 6.0920 9.0210 9.0258 9.5414 9.5489 9.8065 9.8092 10.1186 10.1247 10.5190 10.5302 k =-0.2337 0.3194 0.6776 ( 5231 PWs) bands (ev): -5.1593 -5.1591 -4.8009 -4.8005 -3.9716 -3.9706 -3.4781 -3.4773 -0.5850 -0.5670 -0.3934 -0.3769 -0.0538 -0.0458 -0.0199 0.0369 0.1018 0.1454 0.2037 0.2398 0.2971 0.3148 0.3394 0.3487 0.3925 0.4073 0.4326 0.4555 0.6305 0.6866 1.3030 1.3072 1.9865 1.9924 2.3025 2.3101 2.8514 2.8635 3.4300 3.4341 3.9833 3.9951 4.2643 4.2647 4.8207 4.8247 4.9382 4.9423 5.7997 5.8074 6.0991 6.1118 8.9427 8.9478 9.5676 9.5759 9.8228 9.8251 10.0630 10.0687 10.5767 10.5893 k =-0.2420 0.3308 0.6635 ( 5232 PWs) bands (ev): -5.1737 -5.1736 -4.8020 -4.8015 -3.9808 -3.9799 -3.4487 -3.4479 -0.5938 -0.5771 -0.3904 -0.3755 -0.0541 -0.0455 -0.0200 0.0414 0.1004 0.1459 0.2037 0.2396 0.2934 0.3149 0.3435 0.3485 0.3928 0.4068 0.4335 0.4597 0.6122 0.6698 1.3595 1.3631 2.0373 2.0443 2.3351 2.3421 2.8417 2.8537 3.4189 3.4225 3.9478 3.9596 4.2180 4.2191 4.7665 4.7709 4.8949 4.8989 5.8007 5.8085 6.1185 6.1312 8.8649 8.8700 9.5886 9.5974 9.8399 9.8419 10.0099 10.0152 10.6395 10.6532 k =-0.2503 0.3422 0.6495 ( 5227 PWs) bands (ev): -5.1868 -5.1866 -4.8033 -4.8029 -3.9892 -3.9883 -3.4210 -3.4203 -0.6022 -0.5868 -0.3877 -0.3743 -0.0543 -0.0451 -0.0204 0.0460 0.0989 0.1463 0.2039 0.2393 0.2890 0.3153 0.3463 0.3497 0.3933 0.4061 0.4342 0.4640 0.5947 0.6529 1.4138 1.4167 2.0887 2.0968 2.3655 2.3722 2.8343 2.8462 3.4070 3.4100 3.9078 3.9195 4.1686 4.1705 4.7214 4.7263 4.8603 4.8643 5.8011 5.8090 6.1374 6.1499 8.7899 8.7950 9.6048 9.6140 9.8562 9.8580 9.9606 9.9654 10.7058 10.7203 k =-0.2587 0.3535 0.6354 ( 5229 PWs) bands (ev): -5.1983 -5.1982 -4.8048 -4.8043 -3.9967 -3.9958 -3.3955 -3.3948 -0.6101 -0.5958 -0.3853 -0.3736 -0.0545 -0.0444 -0.0210 0.0505 0.0976 0.1465 0.2043 0.2387 0.2840 0.3156 0.3462 0.3540 0.3939 0.4053 0.4348 0.4686 0.5782 0.6363 1.4649 1.4672 2.1391 2.1485 2.3938 2.4002 2.8293 2.8411 3.3963 3.3985 3.8624 3.8736 4.1178 4.1205 4.6853 4.6905 4.8338 4.8378 5.8012 5.8091 6.1554 6.1677 8.7196 8.7245 9.6171 9.6263 9.8710 9.8726 9.9157 9.9202 10.7738 10.7891 k =-0.2670 0.3649 0.6213 ( 5236 PWs) bands (ev): -5.2084 -5.2083 -4.8063 -4.8059 -4.0033 -4.0023 -3.3725 -3.3719 -0.6173 -0.6042 -0.3832 -0.3731 -0.0547 -0.0435 -0.0219 0.0550 0.0963 0.1467 0.2049 0.2379 0.2788 0.3160 0.3455 0.3591 0.3945 0.4042 0.4353 0.4733 0.5634 0.6204 1.5121 1.5137 2.1870 2.1976 2.4195 2.4257 2.8267 2.8382 3.3887 3.3901 3.8117 3.8222 4.0678 4.0711 4.6574 4.6628 4.8145 4.8184 5.8009 5.8089 6.1721 6.1843 8.6557 8.6602 9.6259 9.6351 9.8759 9.8789 9.8837 9.8866 10.8419 10.8579 k =-0.2753 0.3763 0.6072 ( 5236 PWs) bands (ev): -5.2169 -5.2168 -4.8078 -4.8073 -4.0088 -4.0079 -3.3524 -3.3518 -0.6237 -0.6116 -0.3813 -0.3728 -0.0548 -0.0424 -0.0230 0.0594 0.0951 0.1468 0.2056 0.2369 0.2736 0.3163 0.3448 0.3644 0.3950 0.4030 0.4356 0.4781 0.5505 0.6055 1.5543 1.5553 2.2306 2.2425 2.4426 2.4484 2.8263 2.8375 3.3860 3.3865 3.7567 3.7663 4.0211 4.0248 4.6364 4.6418 4.8014 4.8050 5.8005 5.8084 6.1874 6.1993 8.5992 8.6033 9.6320 9.6409 9.8421 9.8455 9.8940 9.8962 10.9082 10.9250 k =-0.2836 0.3877 0.5931 ( 5241 PWs) bands (ev): -5.2239 -5.2238 -4.8091 -4.8086 -4.0134 -4.0125 -3.3355 -3.3350 -0.6291 -0.6179 -0.3796 -0.3728 -0.0549 -0.0412 -0.0242 0.0634 0.0939 0.1469 0.2064 0.2357 0.2688 0.3166 0.3441 0.3698 0.3954 0.4015 0.4359 0.4826 0.5399 0.5920 1.5906 1.5910 2.2684 2.2815 2.4624 2.4680 2.8277 2.8387 3.3890 3.3899 3.6991 3.7077 3.9796 3.9836 4.6211 4.6263 4.7930 4.7961 5.7999 5.8079 6.2006 6.2123 8.5515 8.5550 9.6358 9.6444 9.8142 9.8174 9.9022 9.9045 10.9706 10.9883 k =-0.2919 0.3990 0.5790 ( 5243 PWs) bands (ev): -5.2294 -5.2293 -4.8102 -4.8097 -4.0170 -4.0161 -3.3220 -3.3215 -0.6334 -0.6230 -0.3781 -0.3729 -0.0550 -0.0399 -0.0256 0.0669 0.0929 0.1470 0.2074 0.2342 0.2647 0.3168 0.3436 0.3751 0.3956 0.3998 0.4360 0.4867 0.5321 0.5802 1.6198 1.6201 2.2990 2.3132 2.4786 2.4839 2.8305 2.8412 3.3993 3.4015 3.6413 3.6487 3.9454 3.9496 4.6103 4.6152 4.7882 4.7906 5.7994 5.8073 6.2115 6.2229 8.5133 8.5162 9.6380 9.6462 9.7926 9.7958 9.9084 9.9108 11.0263 11.0450 k =-0.3003 0.4104 0.5649 ( 5237 PWs) bands (ev): -5.2333 -5.2332 -4.8110 -4.8105 -4.0196 -4.0187 -3.3122 -3.3118 -0.6366 -0.6267 -0.3768 -0.3733 -0.0550 -0.0387 -0.0269 0.0698 0.0920 0.1471 0.2083 0.2328 0.2617 0.3169 0.3432 0.3802 0.3948 0.3984 0.4362 0.4896 0.5273 0.5707 1.6411 1.6417 2.3214 2.3365 2.4905 2.4956 2.8336 2.8441 3.4179 3.4217 3.5857 3.5917 3.9198 3.9241 4.6031 4.6077 4.7857 4.7874 5.7989 5.8069 6.2195 6.2308 8.4856 8.4877 9.6390 9.6468 9.7774 9.7806 9.9126 9.9152 11.0716 11.0915 k =-0.3086 0.4218 0.5508 ( 5237 PWs) bands (ev): -5.2356 -5.2355 -4.8115 -4.8110 -4.0212 -4.0203 -3.3063 -3.3059 -0.6385 -0.6290 -0.3757 -0.3738 -0.0551 -0.0377 -0.0279 0.0716 0.0913 0.1471 0.2090 0.2317 0.2598 0.3170 0.3430 0.3849 0.3925 0.3979 0.4362 0.4912 0.5252 0.5642 1.6541 1.6550 2.3350 2.3507 2.4979 2.5027 2.8361 2.8464 3.4445 3.4505 3.5357 3.5398 3.9039 3.9084 4.5990 4.6034 4.7847 4.7856 5.7986 5.8066 6.2245 6.2356 8.4688 8.4703 9.6393 9.6469 9.7684 9.7717 9.9151 9.9177 11.1021 11.1230 k =-0.3169 0.4331 0.5367 ( 5239 PWs) bands (ev): -5.2364 -5.2363 -4.8117 -4.8112 -4.0217 -4.0208 -3.3043 -3.3039 -0.6392 -0.6298 -0.3751 -0.3743 -0.0551 -0.0373 -0.0283 0.0723 0.0911 0.1472 0.2093 0.2313 0.2592 0.3170 0.3429 0.3890 0.3892 0.3978 0.4362 0.4917 0.5247 0.5618 1.6585 1.6595 2.3396 2.3555 2.5004 2.5052 2.8371 2.8473 3.4670 3.4784 3.5024 3.5067 3.8986 3.9031 4.5976 4.6020 4.7847 4.7848 5.7985 5.8065 6.2262 6.2373 8.4633 8.4644 9.6393 9.6468 9.7654 9.7687 9.9159 9.9185 11.1129 11.1343 k =-0.3169 0.4331 0.5367 ( 5239 PWs) bands (ev): -5.2364 -5.2363 -4.8117 -4.8112 -4.0217 -4.0208 -3.3043 -3.3039 -0.6392 -0.6298 -0.3751 -0.3743 -0.0551 -0.0373 -0.0283 0.0723 0.0911 0.1472 0.2093 0.2313 0.2592 0.3170 0.3429 0.3890 0.3892 0.3978 0.4362 0.4917 0.5247 0.5618 1.6585 1.6595 2.3396 2.3555 2.5004 2.5052 2.8371 2.8473 3.4670 3.4784 3.5024 3.5067 3.8986 3.9031 4.5976 4.6020 4.7847 4.7848 5.7985 5.8065 6.2262 6.2373 8.4633 8.4644 9.6393 9.6468 9.7654 9.7687 9.9159 9.9185 11.1129 11.1343 k =-0.3083 0.4214 0.5222 ( 5231 PWs) bands (ev): -5.2567 -5.2565 -4.7728 -4.7723 -4.0340 -4.0331 -3.3014 -3.3010 -0.6558 -0.6492 -0.3674 -0.3671 -0.0572 -0.0401 -0.0284 0.0770 0.0834 0.1485 0.2071 0.2325 0.2601 0.3182 0.3404 0.3887 0.3910 0.3963 0.4393 0.4950 0.5283 0.5600 1.6512 1.6519 2.3220 2.3373 2.5744 2.5788 2.8081 2.8187 3.4240 3.4355 3.4880 3.4927 3.8247 3.8297 4.5942 4.6013 4.7981 4.8005 5.8173 5.8249 6.2411 6.2513 8.5024 8.5032 9.6720 9.6772 9.8488 9.8527 9.9286 9.9314 11.1985 11.2174 k =-0.2998 0.4097 0.5077 ( 5223 PWs) bands (ev): -5.2805 -5.2803 -4.7325 -4.7321 -4.0410 -4.0402 -3.2986 -3.2981 -0.6744 -0.6707 -0.3598 -0.3597 -0.0595 -0.0427 -0.0278 0.0748 0.0810 0.1501 0.2049 0.2329 0.2608 0.3199 0.3371 0.3875 0.3942 0.3951 0.4428 0.4981 0.5329 0.5585 1.6325 1.6326 2.3062 2.3207 2.6626 2.6665 2.7805 2.7915 3.3846 3.3963 3.4681 3.4731 3.7513 3.7567 4.5914 4.6005 4.8222 4.8264 5.8304 5.8374 6.2511 6.2603 8.5428 8.5433 9.6946 9.6978 9.9296 9.9305 9.9343 9.9366 11.2970 11.3137 k =-0.2912 0.3980 0.4932 ( 5215 PWs) bands (ev): -5.3076 -5.3075 -4.6910 -4.6904 -4.0428 -4.0420 -3.2958 -3.2954 -0.6952 -0.6943 -0.3524 -0.3520 -0.0620 -0.0451 -0.0268 0.0657 0.0843 0.1522 0.2030 0.2327 0.2610 0.3217 0.3337 0.3854 0.3937 0.3987 0.4462 0.5015 0.5384 0.5572 1.6051 1.6058 2.2917 2.3052 2.7511 2.7581 2.7650 2.7727 3.3491 3.3610 3.4431 3.4482 3.6787 3.6845 4.5912 4.6017 4.8543 4.8598 5.8372 5.8436 6.2559 6.2641 8.5841 8.5843 9.7093 9.7108 9.9232 9.9259 10.0156 10.0199 11.4011 11.4131 k =-0.2827 0.3863 0.4787 ( 5221 PWs) bands (ev): -5.3378 -5.3376 -4.6481 -4.6476 -4.0397 -4.0390 -3.2932 -3.2927 -0.7200 -0.7182 -0.3448 -0.3442 -0.0646 -0.0472 -0.0253 0.0564 0.0867 0.1549 0.2013 0.2320 0.2604 0.3235 0.3305 0.3827 0.3925 0.4040 0.4491 0.5051 0.5446 0.5560 1.5722 1.5737 2.2782 2.2905 2.7305 2.7414 2.8685 2.8720 3.3178 3.3300 3.4135 3.4187 3.6070 3.6132 4.5946 4.6059 4.8926 4.8990 5.8374 5.8432 6.2557 6.2627 8.6260 8.6261 9.7185 9.7186 9.9133 9.9161 10.0978 10.1023 11.4014 11.4082 k =-0.2741 0.3746 0.4642 ( 5221 PWs) bands (ev): -5.3706 -5.3705 -4.6040 -4.6035 -4.0320 -4.0313 -3.2907 -3.2902 -0.7477 -0.7435 -0.3371 -0.3364 -0.0673 -0.0489 -0.0234 0.0474 0.0881 0.1582 0.2001 0.2309 0.2589 0.3254 0.3279 0.3795 0.3913 0.4100 0.4514 0.5090 0.5512 0.5549 1.5357 1.5381 2.2654 2.2760 2.7100 2.7210 2.9795 2.9827 3.2913 3.3041 3.3802 3.3854 3.5366 3.5432 4.6013 4.6133 4.9356 4.9428 5.8309 5.8358 6.2505 6.2564 8.6680 8.6686 9.7236 9.7249 9.9031 9.9060 10.1787 10.1834 11.3807 11.3865 k =-0.2655 0.3629 0.4497 ( 5219 PWs) bands (ev): -5.4057 -5.4056 -4.5588 -4.5582 -4.0201 -4.0194 -3.2884 -3.2879 -0.7773 -0.7709 -0.3292 -0.3284 -0.0698 -0.0503 -0.0214 0.0391 0.0887 0.1620 0.1992 0.2296 0.2568 0.3260 0.3271 0.3759 0.3901 0.4163 0.4530 0.5130 0.5539 0.5583 1.4970 1.5002 2.2527 2.2615 2.6928 2.7037 3.0911 3.0947 3.2716 3.2855 3.3442 3.3493 3.4680 3.4750 4.6108 4.6231 4.9828 4.9906 5.8174 5.8215 6.2409 6.2455 8.7103 8.7111 9.7286 9.7308 9.8952 9.8982 10.2578 10.2626 11.3402 11.3457 k =-0.2570 0.3512 0.4352 ( 5223 PWs) bands (ev): -5.4427 -5.4426 -4.5124 -4.5119 -4.0044 -4.0037 -3.2862 -3.2857 -0.8088 -0.8004 -0.3209 -0.3202 -0.0723 -0.0513 -0.0196 0.0320 0.0884 0.1661 0.1986 0.2280 0.2541 0.3246 0.3287 0.3720 0.3889 0.4227 0.4539 0.5167 0.5527 0.5656 1.4569 1.4611 2.2398 2.2466 2.6794 2.6899 3.1864 3.1895 3.2732 3.2880 3.3072 3.3119 3.4030 3.4099 4.6222 4.6347 5.0334 5.0419 5.7970 5.8002 6.2275 6.2308 8.7525 8.7537 9.7357 9.7386 9.8914 9.8945 10.3340 10.3390 11.2788 11.2844 k =-0.2484 0.3395 0.4207 ( 5227 PWs) bands (ev): -5.4811 -5.4810 -4.4651 -4.4646 -3.9853 -3.9847 -3.2842 -3.2836 -0.8420 -0.8319 -0.3124 -0.3118 -0.0746 -0.0518 -0.0181 0.0265 0.0875 0.1706 0.1983 0.2261 0.2512 0.3236 0.3300 0.3681 0.3878 0.4293 0.4543 0.5201 0.5515 0.5731 1.4161 1.4213 2.2265 2.2310 2.6697 2.6798 3.2109 3.2152 3.2657 3.2712 3.3157 3.3279 3.3824 3.3846 4.6343 4.6469 5.0873 5.0964 5.7697 5.7720 6.2110 6.2130 8.7946 8.7963 9.7467 9.7501 9.8928 9.8960 10.4061 10.4114 11.1982 11.2046 k =-0.2398 0.3278 0.4062 ( 5223 PWs) bands (ev): -5.5205 -5.5204 -4.4169 -4.4164 -3.9633 -3.9627 -3.2824 -3.2818 -0.8768 -0.8653 -0.3035 -0.3032 -0.0766 -0.0519 -0.0176 0.0232 0.0861 0.1751 0.1982 0.2241 0.2484 0.3229 0.3310 0.3642 0.3867 0.4357 0.4543 0.5228 0.5501 0.5805 1.3750 1.3813 2.2125 2.2147 2.6635 2.6733 3.2040 3.2093 3.2269 3.2323 3.2643 3.2771 3.4887 3.4904 4.6460 4.6586 5.1439 5.1536 5.7360 5.7373 6.1927 6.1933 8.8367 8.8387 9.7628 9.7665 9.9001 9.9033 10.4717 10.4772 11.1034 11.1107 k =-0.2313 0.3161 0.3916 ( 5219 PWs) bands (ev): -5.5605 -5.5605 -4.3679 -4.3673 -3.9387 -3.9382 -3.2807 -3.2801 -0.9130 -0.9005 -0.2944 -0.2942 -0.0783 -0.0515 -0.0182 0.0224 0.0842 0.1797 0.1982 0.2219 0.2459 0.3223 0.3315 0.3607 0.3857 0.4419 0.4538 0.5250 0.5486 0.5878 1.3339 1.3414 2.1977 2.1979 2.6604 2.6699 3.1859 3.1863 3.1900 3.1971 3.2142 3.2313 3.6111 3.6125 4.6561 4.6685 5.2030 5.2134 5.6962 5.6965 6.1729 6.1738 8.8789 8.8813 9.7847 9.7885 9.9136 9.9168 10.5259 10.5317 11.0020 11.0103 k =-0.2227 0.3044 0.3771 ( 5227 PWs) bands (ev): -5.6009 -5.6008 -4.3181 -4.3175 -3.9120 -3.9115 -3.2793 -3.2786 -0.9505 -0.9372 -0.2852 -0.2845 -0.0797 -0.0507 -0.0197 0.0238 0.0820 0.1841 0.1984 0.2195 0.2439 0.3218 0.3311 0.3579 0.3847 0.4479 0.4531 0.5266 0.5468 0.5947 1.2930 1.3018 2.1803 2.1828 2.6595 2.6688 3.1354 3.1388 3.1539 3.1610 3.2015 3.2162 3.7362 3.7377 4.6634 4.6757 5.2644 5.2755 5.6503 5.6510 6.1533 6.1557 8.9214 8.9240 9.8127 9.8166 9.9333 9.9364 10.5567 10.5632 10.9085 10.9174 k =-0.2141 0.2927 0.3626 ( 5223 PWs) bands (ev): -5.6413 -5.6412 -4.2678 -4.2671 -3.8836 -3.8830 -3.2780 -3.2773 -0.9891 -0.9752 -0.2757 -0.2743 -0.0808 -0.0495 -0.0217 0.0270 0.0795 0.1882 0.1987 0.2169 0.2427 0.3212 0.3296 0.3562 0.3838 0.4521 0.4535 0.5275 0.5448 0.6011 1.2526 1.2627 2.1628 2.1674 2.6598 2.6690 3.0784 3.0841 3.1206 3.1273 3.2005 3.2141 3.8620 3.8637 4.6669 4.6789 5.3278 5.3396 5.5997 5.6013 6.1359 6.1399 8.9643 8.9672 9.8467 9.8505 9.9591 9.9619 10.5391 10.5472 10.8498 10.8583 k =-0.2056 0.2810 0.3481 ( 5219 PWs) bands (ev): -5.6814 -5.6814 -4.2169 -4.2162 -3.8536 -3.8531 -3.2769 -3.2762 -1.0286 -1.0144 -0.2659 -0.2637 -0.0815 -0.0479 -0.0238 0.0316 0.0770 0.1920 0.1991 0.2141 0.2423 0.3206 0.3268 0.3558 0.3831 0.4510 0.4586 0.5280 0.5426 0.6069 1.2126 1.2241 2.1454 2.1520 2.6598 2.6691 3.0225 3.0292 3.0917 3.0985 3.2037 3.2169 3.9874 3.9892 4.6657 4.6773 5.3929 5.4057 5.5458 5.5482 6.1221 6.1277 9.0078 9.0109 9.8862 9.8900 9.9904 9.9929 10.4598 10.4698 10.8405 10.8483 k =-0.1970 0.2693 0.3336 ( 5211 PWs) bands (ev): -5.7210 -5.7210 -4.1655 -4.1649 -3.8225 -3.8221 -3.2760 -3.2753 -1.0689 -1.0546 -0.2557 -0.2525 -0.0820 -0.0461 -0.0254 0.0371 0.0744 0.1953 0.1996 0.2113 0.2427 0.3198 0.3229 0.3566 0.3824 0.4497 0.4634 0.5279 0.5402 0.6118 1.1732 1.1863 2.1285 2.1369 2.6581 2.6676 2.9686 2.9758 3.0684 3.0752 3.2104 3.2234 4.1112 4.1133 4.6591 4.6703 5.4585 5.4733 5.4913 5.4933 6.1132 6.1205 9.0520 9.0554 9.9308 9.9345 10.0268 10.0287 10.3436 10.3550 10.8567 10.8640 k =-0.1884 0.2575 0.3191 ( 5207 PWs) bands (ev): -5.7600 -5.7599 -4.1139 -4.1133 -3.7906 -3.7902 -3.2753 -3.2745 -1.1098 -1.0955 -0.2451 -0.2409 -0.0821 -0.0439 -0.0265 0.0432 0.0718 0.1982 0.2002 0.2086 0.2440 0.3183 0.3189 0.3583 0.3819 0.4482 0.4677 0.5274 0.5376 0.6160 1.1345 1.1493 2.1124 2.1224 2.6534 2.6631 2.9169 2.9246 3.0514 3.0584 3.2201 3.2328 4.2320 4.2344 4.6468 4.6574 5.4334 5.4384 5.5289 5.5424 6.1102 6.1191 9.0968 9.1004 9.9793 9.9829 10.0672 10.0684 10.2130 10.2251 10.8765 10.8836 k =-0.1799 0.2458 0.3046 ( 5215 PWs) bands (ev): -5.7980 -5.7980 -4.0622 -4.0615 -3.7581 -3.7577 -3.2748 -3.2740 -1.1511 -1.1370 -0.2342 -0.2288 -0.0820 -0.0417 -0.0269 0.0498 0.0693 0.2000 0.2008 0.2063 0.2461 0.3132 0.3179 0.3606 0.3815 0.4466 0.4716 0.5266 0.5347 0.6191 1.0964 1.1131 2.0975 2.1087 2.6448 2.6547 2.8677 2.8757 3.0413 3.0484 3.2324 3.2449 4.3476 4.3504 4.6289 4.6389 5.3810 5.3863 5.5980 5.6127 6.1137 6.1243 9.1419 9.1457 10.0282 10.0300 10.0801 10.0927 10.1111 10.1128 10.7912 10.7977 k =-0.1713 0.2341 0.2901 ( 5213 PWs) bands (ev): -5.8350 -5.8350 -4.0104 -4.0097 -3.7254 -3.7250 -3.2744 -3.2735 -1.1927 -1.1789 -0.2230 -0.2162 -0.0818 -0.0393 -0.0265 0.0568 0.0670 0.1997 0.2016 0.2060 0.2488 0.3079 0.3167 0.3636 0.3812 0.4449 0.4751 0.5255 0.5316 0.6214 1.0590 1.0777 2.0838 2.0962 2.6320 2.6421 2.8211 2.8294 3.0378 3.0447 3.2469 3.2590 4.4545 4.4578 4.6062 4.6153 5.3354 5.3410 5.6681 5.6838 6.1239 6.1363 9.1865 9.1905 9.9354 9.9492 10.0905 10.0937 10.1558 10.1560 10.6310 10.6370 k =-0.1627 0.2224 0.2756 ( 5213 PWs) bands (ev): -5.8709 -5.8708 -3.9588 -3.9581 -3.6925 -3.6921 -3.2742 -3.2733 -1.2344 -1.2209 -0.2114 -0.2031 -0.0814 -0.0369 -0.0252 0.0639 0.0650 0.1976 0.2026 0.2074 0.2521 0.3024 0.3156 0.3670 0.3811 0.4431 0.4783 0.5241 0.5283 0.6227 1.0223 1.0432 2.0717 2.0849 2.6155 2.6257 2.7772 2.7857 3.0397 3.0463 3.2632 3.2748 4.5473 4.5495 4.5814 4.5876 5.3030 5.3085 5.7388 5.7556 6.1408 6.1548 9.2287 9.2329 9.8028 9.8169 10.1457 10.1490 10.1971 10.1987 10.4780 10.4831 k =-0.1542 0.2107 0.2611 ( 5209 PWs) bands (ev): -5.9054 -5.9054 -3.9074 -3.9067 -3.6599 -3.6595 -3.2741 -3.2732 -1.2759 -1.2630 -0.1994 -0.1897 -0.0809 -0.0346 -0.0230 0.0634 0.0711 0.1950 0.2039 0.2091 0.2558 0.2970 0.3144 0.3709 0.3811 0.4412 0.4812 0.5226 0.5249 0.6230 0.9863 1.0097 2.0612 2.0750 2.5962 2.6064 2.7361 2.7447 3.0452 3.0515 3.2806 3.2917 4.5473 4.5567 4.6185 4.6260 5.2923 5.2974 5.8099 5.8277 6.1639 6.1797 9.2637 9.2685 9.6787 9.6926 10.2015 10.2026 10.2161 10.2187 10.3530 10.3555 k =-0.1456 0.1990 0.2466 ( 5205 PWs) bands (ev): -5.9385 -5.9385 -3.8565 -3.8558 -3.6276 -3.6272 -3.2742 -3.2732 -1.3173 -1.3049 -0.1872 -0.1759 -0.0804 -0.0325 -0.0199 0.0623 0.0782 0.1924 0.2055 0.2108 0.2600 0.2916 0.3133 0.3754 0.3812 0.4392 0.4837 0.5209 0.5213 0.6223 0.9511 0.9770 2.0525 2.0666 2.5752 2.5853 2.6978 2.7065 3.0526 3.0584 3.2986 3.3090 4.5164 4.5247 4.6600 4.6689 5.3117 5.3159 5.8809 5.8998 6.1928 6.2102 9.2781 9.2846 9.5778 9.5901 10.1270 10.1340 10.2549 10.2588 10.3332 10.3347 k =-0.1370 0.1873 0.2321 ( 5211 PWs) bands (ev): -5.9701 -5.9701 -3.8063 -3.8056 -3.5960 -3.5956 -3.2744 -3.2734 -1.3582 -1.3464 -0.1748 -0.1619 -0.0798 -0.0307 -0.0160 0.0617 0.0850 0.1900 0.2076 0.2121 0.2644 0.2863 0.3125 0.3803 0.3814 0.4371 0.4861 0.5176 0.5192 0.6206 0.9166 0.9454 2.0457 2.0598 2.5533 2.5635 2.6625 2.6712 3.0599 3.0653 3.3165 3.3260 4.4853 4.4927 4.6707 4.6814 5.3634 5.3666 5.9515 5.9715 6.2267 6.2456 9.2445 9.2546 9.5278 9.5367 9.9908 9.9970 10.3013 10.3047 10.3646 10.3671 k =-0.1285 0.1756 0.2176 ( 5207 PWs) bands (ev): -6.0001 -6.0001 -3.7568 -3.7561 -3.5652 -3.5647 -3.2747 -3.2736 -1.3985 -1.3873 -0.1623 -0.1478 -0.0791 -0.0292 -0.0113 0.0617 0.0913 0.1879 0.2104 0.2132 0.2687 0.2812 0.3123 0.3816 0.3858 0.4349 0.4884 0.5138 0.5174 0.6180 0.8828 0.9146 2.0407 2.0546 2.5314 2.5418 2.6301 2.6388 3.0654 3.0704 3.3335 3.3421 4.4559 4.4625 4.6575 4.6696 5.4411 5.4436 6.0212 6.0423 6.2648 6.2852 9.1592 9.1719 9.5326 9.5389 9.8512 9.8569 10.3338 10.3368 10.3978 10.4010 k =-0.1199 0.1639 0.2031 ( 5209 PWs) bands (ev): -6.0285 -6.0285 -3.7085 -3.7077 -3.5354 -3.5349 -3.2751 -3.2740 -1.4381 -1.4275 -0.1496 -0.1338 -0.0783 -0.0280 -0.0058 0.0623 0.0969 0.1862 0.2139 0.2140 0.2726 0.2763 0.3130 0.3819 0.3918 0.4326 0.4905 0.5100 0.5157 0.6145 0.8498 0.8849 2.0376 2.0511 2.5103 2.5209 2.6007 2.6094 3.0676 3.0722 3.3489 3.3565 4.4296 4.4355 4.6300 4.6433 5.5358 5.5379 6.0898 6.1118 6.3065 6.3281 9.0516 9.0653 9.5626 9.5678 9.7148 9.7201 10.3432 10.3457 10.4238 10.4274 k =-0.1113 0.1522 0.1886 ( 5209 PWs) bands (ev): -6.0552 -6.0551 -3.6614 -3.6606 -3.5068 -3.5063 -3.2756 -3.2744 -1.4766 -1.4667 -0.1371 -0.1202 -0.0774 -0.0270 0.0004 0.0636 0.1018 0.1851 0.2142 0.2185 0.2715 0.2755 0.3152 0.3823 0.3983 0.4302 0.4925 0.5062 0.5139 0.6101 0.8176 0.8561 2.0362 2.0490 2.4905 2.5015 2.5744 2.5829 3.0655 3.0697 3.3619 3.3684 4.4078 4.4129 4.5961 4.6104 5.6401 5.6420 6.1566 6.1793 6.3511 6.3737 8.9391 8.9529 9.5833 9.5883 9.6000 9.6046 10.3238 10.3257 10.4384 10.4421 k =-0.1028 0.1405 0.1741 ( 5199 PWs) bands (ev): -6.0800 -6.0800 -3.6158 -3.6151 -3.4796 -3.4790 -3.2761 -3.2749 -1.5140 -1.5048 -0.1248 -0.1071 -0.0762 -0.0263 0.0072 0.0654 0.1058 0.1847 0.2141 0.2240 0.2671 0.2770 0.3192 0.3827 0.4055 0.4276 0.4946 0.5025 0.5122 0.6048 0.7862 0.8283 2.0365 2.0484 2.4725 2.4838 2.5511 2.5594 3.0581 3.0620 3.3718 3.3771 4.3912 4.3956 4.5612 4.5761 5.7492 5.7510 6.2212 6.2443 6.3979 6.4211 8.8278 8.8415 9.4580 9.4625 9.6373 9.6416 10.2796 10.2808 10.4396 10.4424 k =-0.0942 0.1288 0.1596 ( 5199 PWs) bands (ev): -6.1031 -6.1031 -3.5720 -3.5713 -3.4539 -3.4532 -3.2767 -3.2755 -1.5500 -1.5415 -0.1129 -0.0951 -0.0747 -0.0256 0.0146 0.0677 0.1091 0.1851 0.2137 0.2303 0.2629 0.2773 0.3247 0.3834 0.4132 0.4248 0.4966 0.4990 0.5106 0.5987 0.7558 0.8015 2.0382 2.0490 2.4568 2.4685 2.5308 2.5388 3.0452 3.0488 3.3779 3.3822 4.3802 4.3839 4.5285 4.5437 5.8598 5.8616 6.2832 6.3061 6.4463 6.4695 8.7207 8.7340 9.3392 9.3434 9.6699 9.6740 10.2213 10.2220 10.4271 10.4281 k =-0.0857 0.1171 0.1451 ( 5195 PWs) bands (ev): -6.1242 -6.1242 -3.5303 -3.5297 -3.4298 -3.4291 -3.2774 -3.2761 -1.5843 -1.5765 -0.1019 -0.0845 -0.0726 -0.0248 0.0224 0.0703 0.1116 0.1865 0.2128 0.2375 0.2590 0.2766 0.3312 0.3845 0.4213 0.4222 0.4956 0.4987 0.5091 0.5917 0.7264 0.7756 2.0412 2.0507 2.4437 2.4558 2.5133 2.5211 3.0268 3.0303 3.3800 3.3833 4.3749 4.3779 4.5001 4.5153 5.9697 5.9714 6.3419 6.3640 6.4956 6.5182 8.6192 8.6320 9.2277 9.2315 9.6931 9.6970 10.1602 10.1606 10.4012 10.4027 k =-0.0771 0.1054 0.1305 ( 5193 PWs) bands (ev): -6.1435 -6.1435 -3.4910 -3.4904 -3.4076 -3.4068 -3.2781 -3.2768 -1.6167 -1.6096 -0.0922 -0.0757 -0.0694 -0.0236 0.0305 0.0729 0.1137 0.1890 0.2118 0.2451 0.2555 0.2755 0.3377 0.3864 0.4186 0.4306 0.4926 0.5007 0.5076 0.5838 0.6983 0.7507 2.0451 2.0532 2.4336 2.4459 2.4987 2.5060 3.0035 3.0068 3.3780 3.3804 4.3747 4.3770 4.4769 4.4918 6.0771 6.0788 6.3969 6.4176 6.5451 6.5664 8.5243 8.5364 9.1241 9.1276 9.7007 9.7043 10.1072 10.1075 10.3655 10.3694 k =-0.0685 0.0937 0.1160 ( 5197 PWs) bands (ev): -6.1608 -6.1608 -3.4545 -3.4539 -3.3873 -3.3864 -3.2789 -3.2775 -1.6468 -1.6405 -0.0848 -0.0689 -0.0646 -0.0219 0.0388 0.0754 0.1156 0.1921 0.2108 0.2501 0.2553 0.2745 0.3432 0.3899 0.4149 0.4402 0.4899 0.5028 0.5061 0.5750 0.6716 0.7267 2.0495 2.0562 2.4267 2.4392 2.4866 2.4935 2.9761 2.9794 3.3723 3.3738 4.3788 4.3804 4.4593 4.4736 6.1803 6.1820 6.4478 6.4665 6.5936 6.6130 8.4370 8.4483 9.0291 9.0323 9.6867 9.6899 10.0718 10.0719 10.3249 10.3308 k =-0.0600 0.0819 0.1015 ( 5199 PWs) bands (ev): -6.1761 -6.1761 -3.4210 -3.4205 -3.3690 -3.3680 -3.2797 -3.2782 -1.6745 -1.6689 -0.0798 -0.0643 -0.0579 -0.0197 0.0468 0.0775 0.1177 0.1948 0.2108 0.2479 0.2629 0.2742 0.3470 0.3955 0.4107 0.4502 0.4877 0.5047 0.5049 0.5652 0.6469 0.7037 2.0542 2.0595 2.4231 2.4356 2.4771 2.4833 2.9458 2.9492 3.3634 3.3643 4.3862 4.3872 4.4471 4.4603 6.2776 6.2793 6.4943 6.5105 6.6400 6.6571 8.3581 8.3683 8.9433 8.9461 9.6507 9.6534 10.0567 10.0568 10.2829 10.2899 k =-0.0514 0.0702 0.0870 ( 5195 PWs) bands (ev): -6.1894 -6.1894 -3.3910 -3.3905 -3.3528 -3.3516 -3.2806 -3.2791 -1.6993 -1.6945 -0.0765 -0.0616 -0.0502 -0.0172 0.0544 0.0790 0.1204 0.1950 0.2132 0.2450 0.2714 0.2754 0.3486 0.4033 0.4057 0.4607 0.4860 0.5034 0.5071 0.5543 0.6246 0.6818 2.0588 2.0628 2.4229 2.4350 2.4698 2.4753 2.9140 2.9174 3.3523 3.3528 4.3956 4.3960 4.4397 4.4514 6.3674 6.3691 6.5360 6.5495 6.6833 6.6979 8.2881 8.2972 8.8674 8.8698 9.5997 9.6019 10.0569 10.0570 10.2422 10.2495 k =-0.0428 0.0585 0.0725 ( 5207 PWs) bands (ev): -6.2008 -6.2008 -3.3648 -3.3644 -3.3387 -3.3374 -3.2816 -3.2800 -1.7210 -1.7169 -0.0740 -0.0604 -0.0426 -0.0150 0.0610 0.0799 0.1241 0.1922 0.2174 0.2423 0.2787 0.2798 0.3485 0.3999 0.4127 0.4712 0.4849 0.5021 0.5093 0.5423 0.6054 0.6608 2.0630 2.0659 2.4258 2.4372 2.4645 2.4692 2.8821 2.8855 3.3402 3.3404 4.4056 4.4058 4.4362 4.4460 6.4475 6.4494 6.5728 6.5834 6.7223 6.7342 8.2278 8.2356 8.8019 8.8040 9.5432 9.5449 10.0651 10.0652 10.2052 10.2119 k =-0.0343 0.0468 0.0580 ( 5205 PWs) bands (ev): -6.2100 -6.2100 -3.3428 -3.3424 -3.3267 -3.3254 -3.2827 -3.2810 -1.7391 -1.7359 -0.0719 -0.0602 -0.0354 -0.0133 0.0666 0.0803 0.1290 0.1876 0.2219 0.2399 0.2848 0.2879 0.3473 0.3928 0.4233 0.4809 0.4844 0.5008 0.5115 0.5299 0.5899 0.6409 2.0666 2.0686 2.4312 2.4413 2.4609 2.4646 2.8520 2.8552 3.3283 3.3283 4.4149 4.4158 4.4358 4.4432 6.5158 6.5180 6.6047 6.6123 6.7560 6.7653 8.1777 8.1842 8.7475 8.7491 9.4886 9.4900 10.0751 10.0757 10.1738 10.1792 k =-0.0257 0.0351 0.0435 ( 5213 PWs) bands (ev): -6.2173 -6.2173 -3.3253 -3.3251 -3.3169 -3.3157 -3.2839 -3.2823 -1.7536 -1.7511 -0.0699 -0.0608 -0.0291 -0.0124 0.0708 0.0802 0.1352 0.1816 0.2254 0.2376 0.2931 0.2954 0.3457 0.3844 0.4344 0.4846 0.4880 0.4992 0.5139 0.5192 0.5787 0.6223 2.0694 2.0707 2.4382 2.4462 2.4591 2.4615 2.8253 2.8283 3.3176 3.3176 4.4226 4.4244 4.4374 4.4421 6.5696 6.5722 6.6320 6.6366 6.7834 6.7902 8.1384 8.1433 8.7046 8.7058 9.4413 9.4423 10.0830 10.0844 10.1502 10.1535 k =-0.0171 0.0234 0.0290 ( 5213 PWs) bands (ev): -6.2224 -6.2224 -3.3126 -3.3125 -3.3092 -3.3082 -3.2852 -3.2837 -1.7639 -1.7623 -0.0680 -0.0618 -0.0236 -0.0125 0.0739 0.0797 0.1425 0.1747 0.2281 0.2356 0.3020 0.3020 0.3450 0.3747 0.4459 0.4855 0.4898 0.4937 0.5162 0.5162 0.5723 0.6052 2.0714 2.0722 2.4452 2.4501 2.4589 2.4597 2.8043 2.8066 3.3092 3.3093 4.4282 4.4305 4.4401 4.4423 6.6067 6.6094 6.6549 6.6570 6.8039 6.8083 8.1102 8.1136 8.6737 8.6745 9.4049 9.4056 10.0864 10.0885 10.1360 10.1370 k =-0.0086 0.0117 0.0145 ( 5225 PWs) bands (ev): -6.2256 -6.2256 -3.3055 -3.3049 -3.3035 -3.3033 -3.2862 -3.2852 -1.7701 -1.7693 -0.0663 -0.0631 -0.0192 -0.0136 0.0761 0.0789 0.1504 0.1669 0.2301 0.2337 0.3072 0.3084 0.3473 0.3642 0.4576 0.4813 0.4869 0.4904 0.5182 0.5184 0.5721 0.5903 2.0727 2.0730 2.4502 2.4519 2.4593 2.4599 2.7909 2.7922 3.3039 3.3039 4.4318 4.4335 4.4426 4.4432 6.6273 6.6290 6.6716 6.6721 6.8168 6.8190 8.0935 8.0952 8.6551 8.6555 9.3821 9.3825 10.0859 10.0876 10.1302 10.1302 k = 0.0000 0.0000 0.0000 ( 5229 PWs) bands (ev): -6.2266 -6.2266 -3.3029 -3.3029 -3.3014 -3.3014 -3.2863 -3.2863 -1.7719 -1.7719 -0.0646 -0.0646 -0.0159 -0.0159 0.0777 0.0777 0.1587 0.1587 0.2319 0.2319 0.3099 0.3099 0.3542 0.3542 0.4694 0.4694 0.4887 0.4887 0.5193 0.5193 0.5786 0.5786 2.0732 2.0732 2.4520 2.4520 2.4601 2.4601 2.7867 2.7867 3.3020 3.3020 4.4336 4.4336 4.4436 4.4436 6.6343 6.6343 6.6778 6.6778 6.8219 6.8219 8.0885 8.0885 8.6490 8.6490 9.3745 9.3745 10.0857 10.0857 10.1289 10.1289 k = 0.0000 0.0000 0.0000 ( 5229 PWs) bands (ev): -6.2266 -6.2266 -3.3029 -3.3029 -3.3014 -3.3014 -3.2863 -3.2863 -1.7719 -1.7719 -0.0646 -0.0646 -0.0159 -0.0159 0.0777 0.0777 0.1587 0.1587 0.2319 0.2319 0.3099 0.3099 0.3542 0.3542 0.4694 0.4694 0.4887 0.4887 0.5193 0.5193 0.5786 0.5786 2.0732 2.0732 2.4520 2.4520 2.4601 2.4601 2.7867 2.7867 3.3020 3.3020 4.4336 4.4336 4.4436 4.4436 6.6343 6.6343 6.6778 6.6778 6.8219 6.8219 8.0885 8.0885 8.6490 8.6490 9.3745 9.3745 10.0857 10.0857 10.1289 10.1289 k = 0.0161 0.0118-0.0000 ( 5213 PWs) bands (ev): -6.2255 -6.2255 -3.3031 -3.3031 -3.3015 -3.3015 -3.2920 -3.2920 -1.7666 -1.7666 -0.0645 -0.0645 -0.0159 -0.0159 0.0771 0.0771 0.1588 0.1588 0.2322 0.2322 0.3069 0.3069 0.3562 0.3562 0.4679 0.4679 0.4895 0.4895 0.5191 0.5191 0.5796 0.5796 2.0726 2.0726 2.4535 2.4535 2.4615 2.4615 2.7888 2.7888 3.3057 3.3057 4.4350 4.4350 4.4451 4.4451 6.6305 6.6305 6.6740 6.6740 6.8134 6.8134 8.0895 8.0895 8.6515 8.6515 9.3826 9.3826 10.0881 10.0881 10.1311 10.1311 k = 0.0323 0.0236-0.0000 ( 5209 PWs) bands (ev): -6.2223 -6.2223 -3.3101 -3.3101 -3.3026 -3.3026 -3.3018 -3.3018 -1.7512 -1.7512 -0.0640 -0.0640 -0.0161 -0.0161 0.0751 0.0751 0.1588 0.1588 0.2331 0.2331 0.2989 0.2989 0.3605 0.3605 0.4642 0.4642 0.4912 0.4912 0.5182 0.5182 0.5824 0.5824 2.0709 2.0709 2.4578 2.4578 2.4659 2.4659 2.7951 2.7951 3.3164 3.3164 4.4394 4.4394 4.4494 4.4494 6.6193 6.6193 6.6626 6.6626 6.7881 6.7881 8.0924 8.0924 8.6590 8.6590 9.4064 9.4064 10.0949 10.0949 10.1372 10.1372 k = 0.0484 0.0354-0.0000 ( 5209 PWs) bands (ev): -6.2170 -6.2170 -3.3376 -3.3376 -3.3036 -3.3036 -3.3025 -3.3025 -1.7264 -1.7264 -0.0632 -0.0632 -0.0164 -0.0164 0.0717 0.0717 0.1588 0.1588 0.2346 0.2346 0.2883 0.2883 0.3654 0.3654 0.4592 0.4592 0.4928 0.4928 0.5167 0.5167 0.5869 0.5869 2.0683 2.0683 2.4651 2.4651 2.4731 2.4731 2.8055 2.8055 3.3341 3.3341 4.4466 4.4466 4.4566 4.4566 6.6006 6.6006 6.6439 6.6439 6.7474 6.7474 8.0973 8.0973 8.6714 8.6714 9.4440 9.4440 10.1049 10.1049 10.1463 10.1463 k = 0.0645 0.0472-0.0000 ( 5209 PWs) bands (ev): -6.2095 -6.2095 -3.3749 -3.3749 -3.3045 -3.3045 -3.3033 -3.3033 -1.6933 -1.6933 -0.0622 -0.0622 -0.0169 -0.0169 0.0668 0.0668 0.1589 0.1589 0.2368 0.2368 0.2765 0.2765 0.3697 0.3697 0.4538 0.4538 0.4939 0.4939 0.5147 0.5147 0.5927 0.5927 2.0651 2.0651 2.4751 2.4751 2.4832 2.4832 2.8198 2.8198 3.3584 3.3584 4.4566 4.4566 4.4667 4.4667 6.5748 6.5748 6.6182 6.6182 6.6930 6.6930 8.1041 8.1041 8.6888 8.6888 9.4925 9.4925 10.1158 10.1158 10.1564 10.1564 k = 0.0806 0.0590-0.0000 ( 5201 PWs) bands (ev): -6.1999 -6.1999 -3.4206 -3.4206 -3.3056 -3.3056 -3.3044 -3.3044 -1.6534 -1.6534 -0.0609 -0.0609 -0.0178 -0.0178 0.0604 0.0604 0.1589 0.1589 0.2397 0.2397 0.2644 0.2644 0.3729 0.3729 0.4484 0.4484 0.4943 0.4943 0.5121 0.5121 0.5995 0.5995 2.0618 2.0618 2.4880 2.4880 2.4960 2.4960 2.8380 2.8380 3.3888 3.3888 4.4694 4.4694 4.4794 4.4794 6.5417 6.5417 6.5861 6.5861 6.6274 6.6274 8.1130 8.1130 8.7110 8.7110 9.5472 9.5472 10.1236 10.1236 10.1647 10.1647 k = 0.0968 0.0708-0.0000 ( 5201 PWs) bands (ev): -6.1882 -6.1882 -3.4732 -3.4732 -3.3069 -3.3069 -3.3057 -3.3057 -1.6078 -1.6078 -0.0594 -0.0594 -0.0192 -0.0192 0.0525 0.0525 0.1587 0.1587 0.2432 0.2432 0.2529 0.2529 0.3746 0.3746 0.4433 0.4433 0.4940 0.4940 0.5091 0.5091 0.6069 0.6069 2.0589 2.0589 2.5036 2.5036 2.5115 2.5115 2.8597 2.8597 3.4247 3.4247 4.4849 4.4849 4.4949 4.4949 6.4994 6.4994 6.5481 6.5481 6.5550 6.5550 8.1240 8.1240 8.7380 8.7380 9.6014 9.6014 10.1226 10.1226 10.1617 10.1617 k = 0.1129 0.0826-0.0000 ( 5193 PWs) bands (ev): -6.1743 -6.1743 -3.5316 -3.5316 -3.3084 -3.3084 -3.3072 -3.3072 -1.5581 -1.5581 -0.0578 -0.0578 -0.0215 -0.0215 0.0435 0.0435 0.1584 0.1584 0.2403 0.2403 0.2495 0.2495 0.3746 0.3746 0.4389 0.4389 0.4932 0.4932 0.5056 0.5056 0.6145 0.6145 2.0570 2.0570 2.5217 2.5217 2.5297 2.5297 2.8848 2.8848 3.4655 3.4655 4.5029 4.5029 4.5129 4.5129 6.4393 6.4393 6.4869 6.4869 6.5050 6.5050 8.1372 8.1372 8.7697 8.7697 9.6445 9.6445 10.1175 10.1175 10.1518 10.1518 k = 0.1290 0.0944-0.0000 ( 5209 PWs) bands (ev): -6.1584 -6.1584 -3.5947 -3.5947 -3.3101 -3.3101 -3.3089 -3.3089 -1.5053 -1.5053 -0.0563 -0.0563 -0.0254 -0.0254 0.0340 0.0340 0.1577 0.1577 0.2305 0.2305 0.2549 0.2549 0.3730 0.3730 0.4353 0.4353 0.4917 0.4917 0.5018 0.5018 0.6222 0.6222 2.0564 2.0564 2.5424 2.5424 2.5503 2.5503 2.9130 2.9130 3.5108 3.5108 4.5234 4.5234 4.5333 4.5333 6.3561 6.3561 6.4310 6.4310 6.4574 6.4574 8.1526 8.1526 8.8061 8.8061 9.6641 9.6641 10.1138 10.1138 10.1355 10.1355 k = 0.1452 0.1062-0.0000 ( 5205 PWs) bands (ev): -6.1403 -6.1403 -3.6614 -3.6614 -3.3119 -3.3119 -3.3107 -3.3107 -1.4505 -1.4505 -0.0552 -0.0552 -0.0314 -0.0314 0.0253 0.0253 0.1566 0.1566 0.2215 0.2215 0.2617 0.2617 0.3697 0.3697 0.4327 0.4327 0.4898 0.4898 0.4978 0.4978 0.6296 0.6296 2.0578 2.0578 2.5655 2.5655 2.5733 2.5733 2.9437 2.9437 3.5599 3.5599 4.5462 4.5462 4.5560 4.5560 6.2613 6.2613 6.3778 6.3778 6.4060 6.4060 8.1702 8.1702 8.8470 8.8470 9.6531 9.6531 10.0822 10.0822 10.0938 10.0938 k = 0.1613 0.1180-0.0000 ( 5225 PWs) bands (ev): -6.1201 -6.1201 -3.7311 -3.7311 -3.3139 -3.3139 -3.3127 -3.3127 -1.3945 -1.3945 -0.0564 -0.0564 -0.0389 -0.0389 0.0186 0.0186 0.1550 0.1550 0.2135 0.2135 0.2697 0.2697 0.3650 0.3650 0.4309 0.4309 0.4873 0.4873 0.4938 0.4938 0.6366 0.6366 2.0616 2.0616 2.5908 2.5908 2.5986 2.5986 2.9768 2.9768 3.6122 3.6122 4.5710 4.5710 4.5808 4.5808 6.1611 6.1611 6.3233 6.3233 6.3516 6.3516 8.1902 8.1902 8.8923 8.8923 9.6157 9.6157 10.0254 10.0254 10.0321 10.0321 k = 0.1774 0.1298-0.0000 ( 5209 PWs) bands (ev): -6.0978 -6.0978 -3.8030 -3.8030 -3.3160 -3.3160 -3.3149 -3.3149 -1.3383 -1.3383 -0.0650 -0.0650 -0.0426 -0.0426 0.0143 0.0143 0.1529 0.1529 0.2064 0.2064 0.2787 0.2787 0.3592 0.3592 0.4301 0.4301 0.4841 0.4841 0.4901 0.4901 0.6431 0.6431 2.0682 2.0682 2.6182 2.6182 2.6259 2.6259 3.0116 3.0116 3.6672 3.6672 4.5978 4.5978 4.6073 4.6073 6.0578 6.0578 6.2672 6.2672 6.2949 6.2949 8.2125 8.2125 8.9421 8.9421 9.5606 9.5606 9.9486 9.9486 9.9535 9.9535 k = 0.1935 0.1416-0.0000 ( 5209 PWs) bands (ev): -6.0735 -6.0735 -3.8766 -3.8766 -3.3182 -3.3182 -3.3171 -3.3171 -1.2823 -1.2823 -0.0810 -0.0810 -0.0420 -0.0420 0.0120 0.0120 0.1503 0.1503 0.2001 0.2001 0.2885 0.2885 0.3527 0.3527 0.4299 0.4299 0.4804 0.4804 0.4869 0.4869 0.6490 0.6490 2.0780 2.0780 2.6476 2.6476 2.6552 2.6552 3.0478 3.0478 3.7244 3.7244 4.6261 4.6261 4.6355 4.6355 5.9526 5.9526 6.2097 6.2097 6.2367 6.2367 8.2371 8.2371 8.9960 8.9960 9.4949 9.4949 9.8560 9.8560 9.8617 9.8617 k = 0.2097 0.1534-0.0000 ( 5225 PWs) bands (ev): -6.0471 -6.0471 -3.9514 -3.9514 -3.3205 -3.3205 -3.3194 -3.3194 -1.2271 -1.2271 -0.1008 -0.1008 -0.0400 -0.0400 0.0110 0.0110 0.1472 0.1472 0.1942 0.1942 0.2987 0.2988 0.3459 0.3459 0.4302 0.4302 0.4762 0.4762 0.4840 0.4840 0.6542 0.6542 2.0915 2.0915 2.6787 2.6787 2.6862 2.6862 3.0846 3.0846 3.7832 3.7832 4.6557 4.6557 4.6648 4.6648 5.8468 5.8468 6.1515 6.1515 6.1777 6.1777 8.2641 8.2641 9.0541 9.0541 9.4227 9.4227 9.7529 9.7529 9.7601 9.7601 k = 0.2258 0.1652-0.0000 ( 5241 PWs) bands (ev): -6.0186 -6.0186 -4.0270 -4.0270 -3.3228 -3.3228 -3.3218 -3.3218 -1.1732 -1.1732 -0.1225 -0.1225 -0.0375 -0.0375 0.0111 0.0111 0.1436 0.1436 0.1885 0.1885 0.3090 0.3090 0.3392 0.3392 0.4309 0.4309 0.4721 0.4721 0.4813 0.4813 0.6586 0.6586 2.1087 2.1087 2.7113 2.7113 2.7186 2.7186 3.1215 3.1215 3.8432 3.8432 4.6863 4.6863 4.6950 4.6950 5.7412 5.7412 6.0933 6.0933 6.1186 6.1186 8.2933 8.2933 9.1162 9.1162 9.3471 9.3471 9.6433 9.6433 9.6519 9.6519 k = 0.2419 0.1770-0.0000 ( 5225 PWs) bands (ev): -5.9881 -5.9881 -4.1031 -4.1031 -3.3252 -3.3252 -3.3242 -3.3242 -1.1209 -1.1209 -0.1455 -0.1455 -0.0348 -0.0348 0.0119 0.0119 0.1396 0.1396 0.1829 0.1829 0.3181 0.3181 0.3339 0.3339 0.4321 0.4321 0.4686 0.4686 0.4790 0.4790 0.6624 0.6624 2.1301 2.1301 2.7452 2.7452 2.7524 2.7524 3.1577 3.1577 3.9038 3.9038 4.7173 4.7173 4.7256 4.7256 5.6368 5.6368 6.0358 6.0358 6.0602 6.0602 8.3249 8.3249 9.1820 9.1820 9.2697 9.2697 9.5303 9.5303 9.5400 9.5400 k = 0.2581 0.1888-0.0000 ( 5233 PWs) bands (ev): -5.9555 -5.9555 -4.1793 -4.1793 -3.3275 -3.3275 -3.3266 -3.3266 -1.0704 -1.0704 -0.1693 -0.1693 -0.0318 -0.0318 0.0131 0.0131 0.1353 0.1353 0.1771 0.1771 0.3210 0.3210 0.3345 0.3345 0.4335 0.4335 0.4658 0.4658 0.4771 0.4771 0.6653 0.6653 2.1558 2.1558 2.7802 2.7802 2.7872 2.7872 3.1925 3.1925 3.9647 3.9647 4.7482 4.7482 4.7560 4.7560 5.5343 5.5343 5.9797 5.9797 6.0033 6.0033 8.3585 8.3585 9.1919 9.1919 9.2510 9.2510 9.4161 9.4161 9.4266 9.4266 k = 0.2742 0.2006-0.0000 ( 5233 PWs) bands (ev): -5.9210 -5.9210 -4.2556 -4.2556 -3.3299 -3.3299 -3.3290 -3.3290 -1.0219 -1.0219 -0.1937 -0.1937 -0.0287 -0.0287 0.0148 0.0148 0.1307 0.1307 0.1709 0.1709 0.3172 0.3172 0.3411 0.3411 0.4345 0.4345 0.4643 0.4643 0.4762 0.4762 0.6675 0.6675 2.1859 2.1859 2.8160 2.8160 2.8228 2.8228 3.2249 3.2249 4.0253 4.0253 4.7785 4.7785 4.7858 4.7858 5.4347 5.4347 5.9259 5.9259 5.9487 5.9487 8.3941 8.3941 9.1149 9.1149 9.3022 9.3022 9.3120 9.3120 9.3239 9.3239 k = 0.2903 0.2124-0.0000 ( 5241 PWs) bands (ev): -5.8844 -5.8844 -4.3316 -4.3316 -3.3322 -3.3322 -3.3314 -3.3314 -0.9756 -0.9756 -0.2183 -0.2183 -0.0254 -0.0254 0.0168 0.0168 0.1258 0.1258 0.1643 0.1643 0.3128 0.3128 0.3474 0.3474 0.4350 0.4350 0.4634 0.4634 0.4774 0.4774 0.6689 0.6689 2.2204 2.2204 2.8522 2.8522 2.8588 2.8588 3.2540 3.2540 4.0852 4.0852 4.8074 4.8074 4.8141 4.8141 5.3388 5.3388 5.8751 5.8751 5.8973 5.8973 8.4313 8.4313 9.0395 9.0395 9.1905 9.1905 9.2018 9.2018 9.3913 9.3913 k = 0.3065 0.2242-0.0000 ( 5233 PWs) bands (ev): -5.8459 -5.8459 -4.4072 -4.4072 -3.3344 -3.3344 -3.3337 -3.3337 -0.9315 -0.9315 -0.2431 -0.2431 -0.0219 -0.0219 0.0192 0.0192 0.1206 0.1206 0.1572 0.1572 0.3089 0.3089 0.3520 0.3520 0.4347 0.4347 0.4624 0.4624 0.4821 0.4821 0.6695 0.6695 2.2595 2.2595 2.8886 2.8886 2.8949 2.8949 3.2787 3.2787 4.1439 4.1439 4.8341 4.8341 4.8402 4.8402 5.2475 5.2475 5.8284 5.8284 5.8498 5.8498 8.4696 8.4696 8.9666 8.9666 9.0817 9.0817 9.0932 9.0932 9.4250 9.4250 k = 0.3226 0.2360-0.0000 ( 5245 PWs) bands (ev): -5.8054 -5.8054 -4.4822 -4.4822 -3.3366 -3.3366 -3.3359 -3.3359 -0.8895 -0.8895 -0.2679 -0.2679 -0.0182 -0.0182 0.0218 0.0218 0.1153 0.1153 0.1497 0.1497 0.3058 0.3058 0.3545 0.3545 0.4339 0.4339 0.4607 0.4607 0.4900 0.4900 0.6694 0.6694 2.3029 2.3029 2.9248 2.9248 2.9308 2.9308 3.2979 3.2979 4.2011 4.2011 4.8579 4.8579 4.8634 4.8634 5.1616 5.1616 5.7866 5.7866 5.8073 5.8073 8.5082 8.5082 8.8968 8.8968 8.9771 8.9771 8.9886 8.9886 9.3609 9.3609 k = 0.3387 0.2478-0.0000 ( 5237 PWs) bands (ev): -5.7629 -5.7629 -4.5564 -4.5564 -3.3386 -3.3386 -3.3380 -3.3380 -0.8497 -0.8497 -0.2927 -0.2927 -0.0142 -0.0142 0.0247 0.0247 0.1097 0.1097 0.1418 0.1418 0.3036 0.3036 0.3552 0.3552 0.4332 0.4332 0.4587 0.4587 0.5004 0.5004 0.6686 0.6686 2.3507 2.3507 2.9604 2.9604 2.9661 2.9661 3.3105 3.3105 4.2563 4.2563 4.8780 4.8780 4.8829 4.8829 5.0820 5.0820 5.7504 5.7504 5.7704 5.7704 8.5459 8.5459 8.8309 8.8309 8.8774 8.8774 8.8887 8.8887 9.2733 9.2733 k = 0.3548 0.2596-0.0000 ( 5241 PWs) bands (ev): -5.7185 -5.7185 -4.6299 -4.6299 -3.3406 -3.3406 -3.3400 -3.3400 -0.8120 -0.8120 -0.3174 -0.3174 -0.0100 -0.0100 0.0279 0.0279 0.1039 0.1039 0.1337 0.1337 0.3022 0.3022 0.3542 0.3542 0.4325 0.4325 0.4566 0.4566 0.5123 0.5123 0.6669 0.6669 2.4025 2.4025 2.9950 2.9950 3.0002 3.0002 3.3153 3.3153 4.3090 4.3090 4.8937 4.8937 4.8980 4.8980 5.0096 5.0096 5.7207 5.7207 5.7397 5.7397 8.5804 8.5804 8.7695 8.7695 8.7837 8.7837 8.7946 8.7946 9.1934 9.1934 k = 0.3710 0.2714-0.0000 ( 5241 PWs) bands (ev): -5.6723 -5.6723 -4.7023 -4.7023 -3.3423 -3.3423 -3.3418 -3.3418 -0.7761 -0.7761 -0.3421 -0.3421 -0.0056 -0.0056 0.0312 0.0312 0.0980 0.0980 0.1254 0.1254 0.3017 0.3017 0.3520 0.3520 0.4322 0.4322 0.4544 0.4544 0.5250 0.5250 0.6646 0.6646 2.4581 2.4581 3.0280 3.0280 3.0328 3.0328 3.3117 3.3117 4.3591 4.3591 4.9044 4.9044 4.9083 4.9083 4.9450 4.9450 5.6976 5.6976 5.7156 5.7156 8.6084 8.6084 8.6968 8.6968 8.7070 8.7070 8.7134 8.7134 9.1292 9.1292 k = 0.3871 0.2832-0.0000 ( 5241 PWs) bands (ev): -5.6241 -5.6241 -4.7737 -4.7737 -3.3439 -3.3439 -3.3434 -3.3434 -0.7421 -0.7421 -0.3666 -0.3666 -0.0008 -0.0008 0.0348 0.0348 0.0918 0.0918 0.1173 0.1173 0.3019 0.3019 0.3490 0.3490 0.4322 0.4322 0.4521 0.4521 0.5380 0.5380 0.6614 0.6614 2.5172 2.5172 3.0590 3.0590 3.0633 3.0633 3.2988 3.2988 4.4061 4.4061 4.8860 4.8860 4.9114 4.9114 4.9153 4.9153 5.6813 5.6813 5.6978 5.6978 8.6162 8.6162 8.6248 8.6248 8.6284 8.6284 8.6630 8.6630 9.0866 9.0866 k = 0.4032 0.2950-0.0000 ( 5241 PWs) bands (ev): -5.5742 -5.5742 -4.8440 -4.8440 -3.3453 -3.3453 -3.3449 -3.3449 -0.7097 -0.7097 -0.3912 -0.3912 0.0042 0.0042 0.0386 0.0386 0.0854 0.0854 0.1093 0.1093 0.3028 0.3028 0.3452 0.3452 0.4325 0.4325 0.4500 0.4500 0.5510 0.5510 0.6576 0.6576 2.5793 2.5793 3.0874 3.0874 3.0912 3.0912 3.2765 3.2765 4.4498 4.4498 4.8371 4.8371 4.9134 4.9134 4.9167 4.9167 5.6710 5.6710 5.6859 5.6859 8.5463 8.5463 8.5551 8.5551 8.6181 8.6181 8.6279 8.6279 9.0704 9.0704 k = 0.4194 0.3068-0.0000 ( 5253 PWs) bands (ev): -5.5224 -5.5224 -4.9130 -4.9130 -3.3465 -3.3465 -3.3462 -3.3462 -0.6787 -0.6787 -0.4157 -0.4157 0.0096 0.0096 0.0425 0.0425 0.0789 0.0789 0.1017 0.1017 0.3044 0.3044 0.3411 0.3411 0.4330 0.4330 0.4479 0.4479 0.5637 0.5637 0.6529 0.6529 2.6439 2.6439 3.1127 3.1127 3.1159 3.1159 3.2451 3.2451 4.4901 4.4901 4.7946 4.7946 4.9123 4.9123 4.9152 4.9152 5.6658 5.6658 5.6787 5.6787 8.4848 8.4848 8.4924 8.4924 8.5816 8.5816 8.6143 8.6143 9.0807 9.0807 k = 0.4355 0.3186-0.0000 ( 5253 PWs) bands (ev): -5.4688 -5.4688 -4.9808 -4.9808 -3.3476 -3.3476 -3.3473 -3.3473 -0.6491 -0.6491 -0.4402 -0.4402 0.0152 0.0152 0.0463 0.0463 0.0724 0.0724 0.0944 0.0944 0.3065 0.3065 0.3367 0.3367 0.4338 0.4338 0.4459 0.4459 0.5759 0.5759 0.6475 0.6475 2.7104 2.7104 3.1344 3.1344 3.1369 3.1369 3.2051 3.2051 4.5270 4.5270 4.7582 4.7582 4.9091 4.9091 4.9116 4.9116 5.6644 5.6644 5.6751 5.6751 8.4333 8.4333 8.4396 8.4396 8.5520 8.5520 8.5919 8.5919 9.1125 9.1125 k = 0.4516 0.3304-0.0000 ( 5273 PWs) bands (ev): -5.4135 -5.4135 -5.0471 -5.0471 -3.3483 -3.3483 -3.3481 -3.3481 -0.6206 -0.6206 -0.4648 -0.4648 0.0211 0.0211 0.0496 0.0496 0.0667 0.0667 0.0876 0.0876 0.3091 0.3091 0.3323 0.3323 0.4348 0.4348 0.4439 0.4439 0.5875 0.5875 0.6413 0.6413 2.7780 2.7780 3.1498 3.1498 3.1529 3.1529 3.1604 3.1604 4.5606 4.5606 4.7265 4.7265 4.9052 4.9052 4.9071 4.9071 5.6654 5.6654 5.6736 5.6736 8.3926 8.3926 8.3975 8.3975 8.5304 8.5304 8.5667 8.5667 9.1595 9.1595 k = 0.4677 0.3422-0.0000 ( 5265 PWs) bands (ev): -5.3565 -5.3565 -5.1121 -5.1121 -3.3489 -3.3489 -3.3488 -3.3488 -0.5931 -0.5931 -0.4897 -0.4897 0.0273 0.0273 0.0502 0.0502 0.0638 0.0638 0.0813 0.0813 0.3122 0.3122 0.3279 0.3279 0.4359 0.4359 0.4421 0.4421 0.5984 0.5984 0.6343 0.6343 2.8461 2.8461 3.1023 3.1023 3.1652 3.1652 3.1667 3.1667 4.5913 4.5913 4.6983 4.6983 4.9016 4.9016 4.9028 4.9028 5.6676 5.6676 5.6732 5.6732 8.3633 8.3633 8.3666 8.3666 8.5169 8.5169 8.5436 8.5436 9.2170 9.2170 k = 0.4839 0.3540-0.0000 ( 5274 PWs) bands (ev): -5.2978 -5.2978 -5.1755 -5.1755 -3.3492 -3.3492 -3.3491 -3.3491 -0.5663 -0.5663 -0.5148 -0.5148 0.0337 0.0337 0.0462 0.0462 0.0657 0.0657 0.0754 0.0754 0.3157 0.3157 0.3236 0.3236 0.4373 0.4373 0.4403 0.4403 0.6085 0.6085 0.6265 0.6265 2.9136 2.9136 3.0430 3.0430 3.1732 3.1732 3.1740 3.1740 4.6195 4.6195 4.6719 4.6719 4.8991 4.8991 4.8998 4.8998 5.6699 5.6699 5.6727 5.6727 8.3459 8.3459 8.3476 8.3476 8.5117 8.5117 8.5258 8.5258 9.2822 9.2822 k = 0.5000 0.3658-0.0000 ( 5266 PWs) bands (ev): -5.2374 -5.2374 -5.2374 -5.2374 -3.3493 -3.3493 -3.3493 -3.3493 -0.5403 -0.5403 -0.5403 -0.5403 0.0402 0.0402 0.0402 0.0402 0.0701 0.0701 0.0701 0.0701 0.3195 0.3195 0.3195 0.3195 0.4387 0.4387 0.4387 0.4387 0.6179 0.6179 0.6179 0.6179 2.9796 2.9796 2.9796 2.9796 3.1762 3.1762 3.1762 3.1762 4.6460 4.6460 4.6460 4.6460 4.8985 4.8985 4.8985 4.8985 5.6717 5.6717 5.6717 5.6717 8.3406 8.3406 8.3406 8.3406 8.5148 8.5148 8.5148 8.5148 9.3531 9.3531 k = 0.5000 0.3658-0.0000 ( 5266 PWs) bands (ev): -5.2374 -5.2374 -5.2374 -5.2374 -3.3493 -3.3493 -3.3493 -3.3493 -0.5403 -0.5403 -0.5403 -0.5403 0.0402 0.0402 0.0402 0.0402 0.0701 0.0701 0.0701 0.0701 0.3195 0.3195 0.3195 0.3195 0.4387 0.4387 0.4387 0.4387 0.6179 0.6179 0.6179 0.6179 2.9796 2.9796 2.9796 2.9796 3.1762 3.1762 3.1762 3.1762 4.6460 4.6460 4.6460 4.6460 4.8985 4.8985 4.8985 4.8985 5.6717 5.6717 5.6717 5.6717 8.3406 8.3406 8.3406 8.3406 8.5148 8.5148 8.5148 8.5148 9.3531 9.3531 k = 0.4917 0.3772 0.0141 ( 5270 PWs) bands (ev): -5.2370 -5.2370 -5.2365 -5.2365 -3.3523 -3.3522 -3.3492 -3.3492 -0.5419 -0.5398 -0.5395 -0.5380 0.0332 0.0355 0.0448 0.0474 0.0569 0.0650 0.0761 0.0840 0.3132 0.3172 0.3222 0.3255 0.4328 0.4385 0.4388 0.4448 0.6141 0.6171 0.6194 0.6266 2.9726 2.9750 2.9762 2.9766 3.1755 3.1759 3.1799 3.1816 4.6327 4.6367 4.6452 4.6454 4.8961 4.8968 4.9071 4.9104 5.6671 5.6674 5.6727 5.6746 8.3297 8.3304 8.3438 8.3448 8.5197 8.5202 8.5294 8.5298 9.3579 9.3583 k = 0.4834 0.3886 0.0282 ( 5258 PWs) bands (ev): -5.2358 -5.2358 -5.2338 -5.2337 -3.3612 -3.3609 -3.3488 -3.3488 -0.5433 -0.5386 -0.5371 -0.5345 0.0267 0.0308 0.0445 0.0488 0.0547 0.0613 0.0828 0.0983 0.3068 0.3153 0.3251 0.3311 0.4274 0.4382 0.4388 0.4505 0.6114 0.6204 0.6218 0.6409 2.9560 2.9604 2.9660 2.9665 3.1738 3.1746 3.1915 3.1944 4.6015 4.6082 4.6428 4.6430 4.8900 4.8913 4.9326 4.9379 5.6539 5.6545 5.6775 5.6812 8.3055 8.3065 8.3544 8.3565 8.5349 8.5359 8.5659 8.5665 9.3726 9.3735 k = 0.4750 0.4000 0.0423 ( 5258 PWs) bands (ev): -5.2339 -5.2339 -5.2292 -5.2292 -3.3757 -3.3753 -3.3482 -3.3481 -0.5445 -0.5373 -0.5331 -0.5295 0.0207 0.0263 0.0332 0.0497 0.0614 0.0618 0.0901 0.1127 0.3004 0.3139 0.3282 0.3360 0.4227 0.4377 0.4386 0.4550 0.6078 0.6207 0.6345 0.6606 2.9322 2.9382 2.9494 2.9500 3.1713 3.1724 3.2084 3.2120 4.5589 4.5673 4.6387 4.6390 4.8799 4.8816 4.9683 4.9747 5.6323 5.6333 5.6860 5.6915 8.2779 8.2792 8.3725 8.3756 8.5602 8.5617 8.6137 8.6145 9.3975 9.3989 k = 0.4667 0.4113 0.0564 ( 5264 PWs) bands (ev): -5.2312 -5.2312 -5.2228 -5.2227 -3.3955 -3.3951 -3.3473 -3.3473 -0.5456 -0.5360 -0.5276 -0.5232 0.0154 0.0208 0.0238 0.0472 0.0655 0.0686 0.0981 0.1268 0.2943 0.3129 0.3314 0.3405 0.4187 0.4370 0.4383 0.4580 0.6035 0.6204 0.6557 0.6859 2.9037 2.9107 2.9268 2.9275 3.1676 3.1692 3.2285 3.2323 4.5094 4.5188 4.6330 4.6336 4.8654 4.8675 5.0099 5.0168 5.6029 5.6042 5.6985 5.7056 8.2520 8.2535 8.3981 8.4021 8.5953 8.5971 8.6673 8.6682 9.4325 9.4346 k = 0.4584 0.4227 0.0705 ( 5250 PWs) bands (ev): -5.2279 -5.2278 -5.2146 -5.2145 -3.4203 -3.4198 -3.3462 -3.3462 -0.5468 -0.5348 -0.5208 -0.5156 0.0107 0.0123 0.0187 0.0439 0.0711 0.0750 0.1066 0.1404 0.2886 0.3126 0.3345 0.3447 0.4153 0.4362 0.4378 0.4597 0.5986 0.6195 0.6853 0.7169 2.8718 2.8798 2.8987 2.8996 3.1628 3.1649 3.2504 3.2542 4.4553 4.4654 4.6261 4.6269 4.8461 4.8484 5.0549 5.0621 5.5663 5.5681 5.7147 5.7233 8.2297 8.2314 8.4311 8.4361 8.6398 8.6419 8.7239 8.7249 9.4777 9.4806 k = 0.4501 0.4341 0.0846 ( 5244 PWs) bands (ev): -5.2239 -5.2239 -5.2046 -5.2045 -3.4496 -3.4490 -3.3449 -3.3448 -0.5479 -0.5337 -0.5129 -0.5072 0.0037 0.0066 0.0147 0.0407 0.0772 0.0809 0.1156 0.1529 0.2834 0.3127 0.3372 0.3485 0.4125 0.4353 0.4372 0.4603 0.5932 0.6179 0.7228 0.7538 2.8378 2.8465 2.8659 2.8669 3.1568 3.1593 3.2731 3.2767 4.3980 4.4085 4.6179 4.6190 4.8219 4.8242 5.1022 5.1096 5.5235 5.5257 5.7347 5.7446 8.2120 8.2137 8.4714 8.4775 8.6930 8.6955 8.7819 8.7831 9.5330 9.5368 k = 0.4417 0.4454 0.0987 ( 5233 PWs) bands (ev): -5.2195 -5.2195 -5.1928 -5.1926 -3.4828 -3.4821 -3.3434 -3.3433 -0.5491 -0.5330 -0.5043 -0.4981 -0.0041 0.0032 0.0110 0.0378 0.0836 0.0864 0.1248 0.1641 0.2788 0.3135 0.3395 0.3523 0.4102 0.4342 0.4363 0.4603 0.5872 0.6158 0.7678 0.7968 2.8021 2.8115 2.8290 2.8301 3.1495 3.1524 3.2962 3.2996 4.3383 4.3491 4.6090 4.6105 4.7924 4.7947 5.1512 5.1587 5.4753 5.4778 5.7581 5.7692 8.1990 8.2008 8.5191 8.5260 8.7545 8.7572 8.8404 8.8419 9.5982 9.6030 k = 0.4334 0.4568 0.1127 ( 5231 PWs) bands (ev): -5.2147 -5.2146 -5.1792 -5.1790 -3.5193 -3.5186 -3.3416 -3.3415 -0.5505 -0.5325 -0.4952 -0.4887 -0.0111 0.0002 0.0074 0.0355 0.0902 0.0914 0.1341 0.1737 0.2747 0.3148 0.3412 0.3560 0.4082 0.4331 0.4353 0.4599 0.5810 0.6130 0.8196 0.8458 2.7655 2.7754 2.7888 2.7900 3.1407 3.1440 3.3194 3.3226 4.2769 4.2878 4.5996 4.6015 4.7577 4.7597 5.2013 5.2088 5.4225 5.4256 5.7849 5.7968 8.1908 8.1927 8.5738 8.5816 8.8236 8.8263 8.8990 8.9008 9.6727 9.6788 k = 0.4251 0.4682 0.1268 ( 5227 PWs) bands (ev): -5.2096 -5.2096 -5.1638 -5.1636 -3.5586 -3.5577 -3.3397 -3.3395 -0.5521 -0.5326 -0.4858 -0.4792 -0.0174 -0.0024 0.0039 0.0337 0.0959 0.0969 0.1434 0.1818 0.2712 0.3166 0.3422 0.3596 0.4065 0.4320 0.4339 0.4595 0.5744 0.6098 0.8776 0.9007 2.7284 2.7385 2.7460 2.7476 3.1302 3.1340 3.3426 3.3454 4.2142 4.2253 4.5902 4.5926 4.7179 4.7196 5.2522 5.2596 5.3661 5.3700 5.8145 5.8273 8.1872 8.1892 8.6351 8.6438 8.8994 8.9023 8.9574 8.9596 9.7560 9.7634 k = 0.4168 0.4796 0.1409 ( 5235 PWs) bands (ev): -5.2045 -5.2044 -5.1466 -5.1464 -3.5998 -3.5990 -3.3376 -3.3374 -0.5540 -0.5332 -0.4763 -0.4697 -0.0229 -0.0048 0.0005 0.0325 0.1000 0.1035 0.1527 0.1885 0.2682 0.3188 0.3424 0.3630 0.4050 0.4311 0.4322 0.4592 0.5676 0.6061 0.9412 0.9610 2.6911 2.6991 2.7014 2.7056 3.1180 3.1223 3.3655 3.3679 4.1509 4.1621 4.5813 4.5842 4.6732 4.6745 5.3030 5.3034 5.3072 5.3195 5.8466 5.8600 8.1882 8.1902 8.7028 8.7121 8.9813 8.9842 9.0156 9.0183 9.8471 9.8560 k = 0.4085 0.4909 0.1550 ( 5235 PWs) bands (ev): -5.1995 -5.1994 -5.1278 -5.1275 -3.6426 -3.6417 -3.3353 -3.3351 -0.5563 -0.5345 -0.4668 -0.4604 -0.0278 -0.0070 -0.0028 0.0322 0.1035 0.1101 0.1619 0.1938 0.2658 0.3214 0.3420 0.3661 0.4036 0.4303 0.4304 0.4592 0.5608 0.6021 1.0097 1.0265 2.6539 2.6550 2.6560 2.6676 3.1039 3.1087 3.3880 3.3899 4.0873 4.0985 4.5735 4.5768 4.6239 4.6247 5.2464 5.2500 5.3547 5.3637 5.8807 5.8946 8.1933 8.1954 8.7761 8.7861 9.0679 9.0711 9.0744 9.0770 9.9453 9.9558 k = 0.4001 0.5023 0.1691 ( 5239 PWs) bands (ev): -5.1948 -5.1948 -5.1071 -5.1069 -3.6860 -3.6851 -3.3328 -3.3326 -0.5591 -0.5366 -0.4574 -0.4513 -0.0321 -0.0093 -0.0060 0.0327 0.1064 0.1163 0.1708 0.1982 0.2637 0.3242 0.3407 0.3689 0.4023 0.4279 0.4300 0.4596 0.5541 0.5978 1.0823 1.0962 2.6094 2.6101 2.6177 2.6314 3.0878 3.0932 3.4098 3.4113 4.0237 4.0350 4.5667 4.5681 4.5713 4.5732 5.1849 5.1893 5.4055 5.4143 5.9163 5.9304 8.2025 8.2046 8.8546 8.8650 9.1321 9.1358 9.1599 9.1622 10.0497 10.0618 k = 0.3918 0.5137 0.1832 ( 5247 PWs) bands (ev): -5.1908 -5.1907 -5.0848 -5.0845 -3.7296 -3.7286 -3.3303 -3.3300 -0.5625 -0.5396 -0.4482 -0.4425 -0.0358 -0.0117 -0.0091 0.0341 0.1088 0.1221 0.1794 0.2019 0.2621 0.3271 0.3386 0.3712 0.4011 0.4252 0.4299 0.4606 0.5477 0.5934 1.1580 1.1693 2.5642 2.5652 2.5822 2.5964 3.0698 3.0756 3.4308 3.4318 3.9607 3.9720 4.5129 4.5129 4.5631 4.5673 5.1235 5.1285 5.4555 5.4644 5.9528 5.9671 8.2154 8.2175 8.9373 8.9482 9.1909 9.1949 9.2543 9.2563 10.1593 10.1732 k = 0.3835 0.5251 0.1973 ( 5247 PWs) bands (ev): -5.1877 -5.1876 -5.0608 -5.0605 -3.7725 -3.7716 -3.3276 -3.3273 -0.5665 -0.5438 -0.4393 -0.4340 -0.0390 -0.0142 -0.0121 0.0363 0.1105 0.1275 0.1875 0.2053 0.2607 0.3301 0.3358 0.3734 0.3999 0.4220 0.4301 0.4623 0.5417 0.5889 1.2358 1.2448 2.5208 2.5222 2.5479 2.5627 3.0497 3.0561 3.4506 3.4510 3.8986 3.9098 4.4519 4.4524 4.5611 4.5656 5.0632 5.0688 5.5042 5.5132 5.9896 6.0039 8.2319 8.2339 9.0234 9.0346 9.2500 9.2543 9.3504 9.3521 10.2734 10.2891 k = 0.3752 0.5364 0.2114 ( 5239 PWs) bands (ev): -5.1858 -5.1857 -5.0351 -5.0348 -3.8143 -3.8134 -3.3248 -3.3245 -0.5714 -0.5491 -0.4306 -0.4258 -0.0418 -0.0168 -0.0150 0.0393 0.1115 0.1321 0.1949 0.2087 0.2597 0.3322 0.3331 0.3755 0.3987 0.4186 0.4304 0.4647 0.5363 0.5845 1.3142 1.3211 2.4806 2.4824 2.5152 2.5304 3.0277 3.0346 3.4686 3.4687 3.8376 3.8487 4.3880 4.3891 4.5617 4.5664 5.0050 5.0111 5.5513 5.5603 6.0261 6.0404 8.2516 8.2536 9.1120 9.1234 9.3094 9.3139 9.4469 9.4480 10.3911 10.4088 k = 0.3668 0.5478 0.2255 ( 5247 PWs) bands (ev): -5.1855 -5.1854 -5.0078 -5.0075 -3.8542 -3.8532 -3.3219 -3.3217 -0.5772 -0.5558 -0.4221 -0.4179 -0.0442 -0.0196 -0.0178 0.0430 0.1117 0.1360 0.2012 0.2121 0.2588 0.3283 0.3360 0.3776 0.3973 0.4148 0.4306 0.4678 0.5315 0.5802 1.3914 1.3963 2.4454 2.4478 2.4841 2.4997 3.0038 3.0112 3.4840 3.4848 3.7780 3.7892 4.3219 4.3235 4.5649 4.5697 4.9500 4.9565 5.5963 5.6053 6.0618 6.0759 8.2744 8.2764 9.2019 9.2135 9.3691 9.3736 9.5416 9.5421 10.5118 10.5313 k = 0.3585 0.5592 0.2396 ( 5237 PWs) bands (ev): -5.1872 -5.1870 -4.9789 -4.9786 -3.8916 -3.8906 -3.3190 -3.3187 -0.5841 -0.5639 -0.4138 -0.4103 -0.0463 -0.0225 -0.0204 0.0473 0.1111 0.1392 0.2063 0.2158 0.2582 0.3244 0.3387 0.3799 0.3958 0.4110 0.4308 0.4716 0.5276 0.5762 1.4648 1.4680 2.4175 2.4205 2.4548 2.4708 2.9783 2.9863 3.4969 3.4984 3.7203 3.7314 4.2538 4.2559 4.5706 4.5752 4.8996 4.9064 5.6388 5.6478 6.0960 6.1099 8.3000 8.3019 9.2918 9.3036 9.4287 9.4330 9.6320 9.6321 10.6347 10.6562 k = 0.3502 0.5706 0.2537 ( 5243 PWs) bands (ev): -5.1911 -5.1910 -4.9485 -4.9481 -3.9258 -3.9249 -3.3161 -3.3158 -0.5921 -0.5735 -0.4058 -0.4028 -0.0481 -0.0255 -0.0228 0.0520 0.1094 0.1416 0.2099 0.2195 0.2578 0.3209 0.3411 0.3823 0.3941 0.4073 0.4310 0.4758 0.5245 0.5725 1.5314 1.5330 2.4000 2.4037 2.4276 2.4439 2.9515 2.9599 3.5066 3.5087 3.6646 3.6757 4.1843 4.1869 4.5781 4.5824 4.8553 4.8621 5.6783 5.6873 6.1282 6.1417 8.3283 8.3301 9.3801 9.3920 9.4884 9.4920 9.7148 9.7155 10.7592 10.7824 k = 0.3419 0.5819 0.2678 ( 5241 PWs) bands (ev): -5.1978 -5.1976 -4.9165 -4.9161 -3.9564 -3.9554 -3.3131 -3.3128 -0.6016 -0.5849 -0.3979 -0.3955 -0.0498 -0.0285 -0.0248 0.0571 0.1066 0.1435 0.2118 0.2232 0.2576 0.3184 0.3431 0.3847 0.3921 0.4041 0.4314 0.4801 0.5226 0.5693 1.5871 1.5875 2.3966 2.4007 2.4028 2.4189 2.9235 2.9324 3.5125 3.5152 3.6112 3.6223 4.1136 4.1167 4.5867 4.5899 4.8192 4.8256 5.7145 5.7233 6.1578 6.1709 8.3590 8.3607 9.4638 9.4761 9.5489 9.5515 9.7871 9.7886 10.8844 10.9059 k = 0.3336 0.5933 0.2819 ( 5235 PWs) bands (ev): -5.2074 -5.2072 -4.8830 -4.8826 -3.9828 -3.9819 -3.3101 -3.3098 -0.6124 -0.5980 -0.3902 -0.3884 -0.0515 -0.0315 -0.0265 0.0622 0.1027 0.1449 0.2121 0.2265 0.2578 0.3169 0.3442 0.3867 0.3903 0.4015 0.4323 0.4844 0.5219 0.5664 1.6277 1.6282 2.3795 2.3958 2.4113 2.4160 2.8949 2.9042 3.5140 3.5174 3.5604 3.5715 4.0423 4.0458 4.5946 4.5961 4.7940 4.7990 5.7469 5.7555 6.1844 6.1968 8.3919 8.3934 9.5375 9.5495 9.6138 9.6155 9.8459 9.8479 10.9787 11.0012 k = 0.3252 0.6047 0.2960 ( 5229 PWs) bands (ev): -5.2202 -5.2201 -4.8480 -4.8476 -4.0047 -4.0038 -3.3072 -3.3068 -0.6249 -0.6129 -0.3826 -0.3813 -0.0532 -0.0344 -0.0277 0.0674 0.0975 0.1461 0.2111 0.2293 0.2584 0.3165 0.3443 0.3883 0.3891 0.3995 0.4339 0.4883 0.5226 0.5639 1.6513 1.6523 2.3585 2.3747 2.4459 2.4508 2.8659 2.8757 3.5094 3.5136 3.5145 3.5236 3.9705 3.9745 4.5989 4.6001 4.7822 4.7850 5.7750 5.7834 6.2073 6.2191 8.4267 8.4280 9.5959 9.6058 9.6866 9.6890 9.8890 9.8914 11.0421 11.0662 k = 0.3169 0.6161 0.3101 ( 5239 PWs) bands (ev): -5.2364 -5.2363 -4.8117 -4.8112 -4.0217 -4.0208 -3.3043 -3.3039 -0.6392 -0.6298 -0.3751 -0.3743 -0.0551 -0.0373 -0.0283 0.0723 0.0911 0.1472 0.2093 0.2313 0.2592 0.3170 0.3429 0.3890 0.3892 0.3978 0.4362 0.4917 0.5247 0.5618 1.6585 1.6595 2.3396 2.3555 2.5004 2.5052 2.8371 2.8473 3.4670 3.4784 3.5024 3.5067 3.8986 3.9031 4.5976 4.6020 4.7847 4.7848 5.7985 5.8065 6.2262 6.2373 8.4633 8.4644 9.6393 9.6468 9.7654 9.7687 9.9159 9.9185 11.1129 11.1343 k = 0.3169 0.6161 0.3101 ( 5239 PWs) bands (ev): -5.2364 -5.2363 -4.8117 -4.8112 -4.0217 -4.0208 -3.3043 -3.3039 -0.6392 -0.6298 -0.3751 -0.3743 -0.0551 -0.0373 -0.0283 0.0723 0.0911 0.1472 0.2093 0.2313 0.2592 0.3170 0.3429 0.3890 0.3892 0.3978 0.4362 0.4917 0.5247 0.5618 1.6585 1.6595 2.3396 2.3555 2.5004 2.5052 2.8371 2.8473 3.4670 3.4784 3.5024 3.5067 3.8986 3.9031 4.5976 4.6020 4.7847 4.7848 5.7985 5.8065 6.2262 6.2373 8.4633 8.4644 9.6393 9.6468 9.7654 9.7687 9.9159 9.9185 11.1129 11.1343 k = 0.2983 0.6107 0.3167 ( 5231 PWs) bands (ev): -5.2477 -5.2476 -4.7918 -4.7913 -4.0264 -4.0255 -3.3035 -3.3031 -0.6481 -0.6401 -0.3717 -0.3696 -0.0560 -0.0388 -0.0284 0.0738 0.0879 0.1484 0.2077 0.2322 0.2599 0.3175 0.3417 0.3885 0.3900 0.3973 0.4382 0.4933 0.5249 0.5626 1.6542 1.6590 2.3321 2.3480 2.5325 2.5372 2.8200 2.8305 3.4406 3.4490 3.5021 3.5046 3.8716 3.8769 4.5962 4.6016 4.7892 4.7906 5.8015 5.8095 6.2371 6.2476 8.4854 8.4867 9.6535 9.6600 9.7924 9.7958 9.9387 9.9419 11.1511 11.1717 k = 0.2796 0.6053 0.3234 ( 5227 PWs) bands (ev): -5.2632 -5.2631 -4.7690 -4.7686 -4.0264 -4.0255 -3.3038 -3.3033 -0.6605 -0.6539 -0.3677 -0.3637 -0.0568 -0.0404 -0.0285 0.0714 0.0876 0.1509 0.2051 0.2331 0.2608 0.3179 0.3397 0.3874 0.3909 0.3974 0.4415 0.4951 0.5233 0.5665 1.6462 1.6553 2.3283 2.3444 2.5653 2.5698 2.7966 2.8072 3.4066 3.4116 3.5006 3.5036 3.8616 3.8681 4.5945 4.6005 4.7956 4.7982 5.7924 5.8004 6.2515 6.2613 8.5166 8.5182 9.6624 9.6682 9.7978 9.8012 9.9889 9.9931 11.1925 11.2134 k = 0.2610 0.5999 0.3301 ( 5233 PWs) bands (ev): -5.2811 -5.2810 -4.7456 -4.7452 -4.0214 -4.0205 -3.3054 -3.3049 -0.6757 -0.6706 -0.3631 -0.3574 -0.0575 -0.0421 -0.0288 0.0645 0.0911 0.1541 0.2022 0.2337 0.2616 0.3180 0.3371 0.3854 0.3921 0.3982 0.4457 0.4972 0.5212 0.5728 1.6365 1.6494 2.3286 2.3450 2.5958 2.6000 2.7683 2.7790 3.3631 3.3658 3.5011 3.5055 3.8687 3.8760 4.5925 4.5986 4.8032 4.8069 5.7738 5.7819 6.2657 6.2746 8.5564 8.5586 9.6679 9.6730 9.7927 9.7962 10.0576 10.0625 11.2339 11.2556 k = 0.2423 0.5945 0.3367 ( 5231 PWs) bands (ev): -5.3002 -5.3000 -4.7234 -4.7230 -4.0109 -4.0100 -3.3085 -3.3080 -0.6935 -0.6897 -0.3581 -0.3511 -0.0581 -0.0438 -0.0291 0.0557 0.0964 0.1577 0.1992 0.2338 0.2622 0.3172 0.3345 0.3829 0.3938 0.3995 0.4499 0.4989 0.5209 0.5807 1.6266 1.6427 2.3322 2.3486 2.6219 2.6256 2.7370 2.7476 3.3110 3.3128 3.5076 3.5131 3.8891 3.8965 4.5896 4.5955 4.8126 4.8172 5.7482 5.7564 6.2765 6.2845 8.6047 8.6074 9.6711 9.6758 9.7858 9.7897 10.1379 10.1434 11.2720 11.2934 k = 0.2237 0.5892 0.3434 ( 5229 PWs) bands (ev): -5.3194 -5.3193 -4.7035 -4.7031 -3.9950 -3.9940 -3.3132 -3.3126 -0.7132 -0.7106 -0.3530 -0.3450 -0.0585 -0.0455 -0.0297 0.0460 0.1027 0.1615 0.1964 0.2336 0.2623 0.3148 0.3326 0.3799 0.3962 0.4011 0.4537 0.4992 0.5245 0.5896 1.6176 1.6363 2.3378 2.3540 2.6417 2.6447 2.7051 2.7150 3.2546 3.2561 3.5208 3.5269 3.9184 3.9254 4.5855 4.5908 4.8242 4.8295 5.7177 5.7259 6.2817 6.2887 8.6608 8.6639 9.6723 9.6766 9.7822 9.7868 10.2275 10.2335 11.2743 11.2813 k = 0.2051 0.5838 0.3501 ( 5226 PWs) bands (ev): -5.3382 -5.3381 -4.6865 -4.6861 -3.9737 -3.9728 -3.3197 -3.3191 -0.7345 -0.7327 -0.3480 -0.3393 -0.0587 -0.0471 -0.0304 0.0361 0.1094 0.1653 0.1938 0.2330 0.2619 0.3107 0.3319 0.3766 0.3990 0.4028 0.4566 0.4979 0.5327 0.5992 1.6104 1.6309 2.3440 2.3596 2.6522 2.6545 2.6762 2.6848 3.1986 3.1997 3.5397 3.5461 3.9528 3.9590 4.5799 4.5845 4.8388 4.8445 5.6836 5.6917 6.2797 6.2859 8.7242 8.7277 9.6711 9.6752 9.7850 9.7905 10.3250 10.3316 11.2455 11.2518 k = 0.1864 0.5784 0.3567 ( 5232 PWs) bands (ev): -5.3562 -5.3561 -4.6726 -4.6723 -3.9476 -3.9466 -3.3282 -3.3275 -0.7569 -0.7554 -0.3432 -0.3341 -0.0588 -0.0486 -0.0313 0.0261 0.1163 0.1687 0.1917 0.2321 0.2610 0.3054 0.3320 0.3732 0.4020 0.4046 0.4586 0.4958 0.5442 0.6090 1.6056 1.6272 2.3492 2.3638 2.6366 2.6485 2.6593 2.6729 3.1461 3.1476 3.5633 3.5699 3.9893 3.9944 4.5732 4.5771 4.8568 4.8628 5.6470 5.6550 6.2701 6.2755 8.7943 8.7981 9.6675 9.6712 9.7955 9.8021 10.4297 10.4370 11.2171 11.2226 k = 0.1678 0.5730 0.3634 ( 5227 PWs) bands (ev): -5.3730 -5.3729 -4.6618 -4.6615 -3.9172 -3.9162 -3.3387 -3.3380 -0.7797 -0.7782 -0.3386 -0.3295 -0.0587 -0.0499 -0.0323 0.0165 0.1234 0.1717 0.1903 0.2308 0.2599 0.2997 0.3326 0.3697 0.4050 0.4065 0.4600 0.4936 0.5580 0.6190 1.6033 1.6254 2.3521 2.3652 2.6114 2.6209 2.6560 2.6693 3.0993 3.1022 3.5906 3.5971 4.0253 4.0292 4.5664 4.5698 4.8782 4.8844 5.6088 5.6166 6.2529 6.2577 8.8704 8.8745 9.6619 9.6652 9.8130 9.8206 10.5406 10.5486 11.1901 11.1948 k = 0.1491 0.5676 0.3701 ( 5220 PWs) bands (ev): -5.3883 -5.3883 -4.6536 -4.6534 -3.8834 -3.8824 -3.3515 -3.3507 -0.8022 -0.8007 -0.3344 -0.3256 -0.0585 -0.0511 -0.0334 0.0074 0.1303 0.1739 0.1898 0.2292 0.2587 0.2939 0.3334 0.3662 0.4075 0.4088 0.4610 0.4913 0.5730 0.6288 1.6038 1.6256 2.3514 2.3627 2.5867 2.5938 2.6489 2.6631 3.0599 3.0643 3.6207 3.6271 4.0581 4.0607 4.5609 4.5645 4.9026 4.9088 5.5699 5.5775 6.2289 6.2332 8.9518 8.9560 9.6555 9.6583 9.8350 9.8438 10.6563 10.6654 11.1650 11.1690 k = 0.1305 0.5623 0.3767 ( 5221 PWs) bands (ev): -5.4022 -5.4021 -4.6478 -4.6476 -3.8471 -3.8461 -3.3665 -3.3657 -0.8238 -0.8222 -0.3306 -0.3223 -0.0580 -0.0519 -0.0346 -0.0011 0.1369 0.1750 0.1906 0.2274 0.2574 0.2882 0.3344 0.3629 0.4095 0.4114 0.4620 0.4891 0.5884 0.6381 1.6068 1.6277 2.3469 2.3564 2.5614 2.5657 2.6421 2.6566 3.0278 3.0335 3.6527 3.6590 4.0847 4.0864 4.5589 4.5631 4.9292 4.9353 5.5313 5.5385 6.1993 6.2032 9.0377 9.0419 9.6490 9.6514 9.8581 9.8679 10.7748 10.7854 11.1421 11.1455 k = 0.1119 0.5569 0.3834 ( 5221 PWs) bands (ev): -5.4144 -5.4143 -4.6438 -4.6436 -3.8093 -3.8083 -3.3838 -3.3830 -0.8439 -0.8423 -0.3272 -0.3197 -0.0575 -0.0525 -0.0359 -0.0090 0.1431 0.1750 0.1924 0.2254 0.2564 0.2828 0.3355 0.3597 0.4112 0.4138 0.4630 0.4869 0.6035 0.6465 1.6119 1.6313 2.3392 2.3471 2.5333 2.5354 2.6394 2.6532 3.0021 3.0088 3.6859 3.6920 4.1026 4.1046 4.5622 4.5670 4.9569 4.9627 5.4942 5.5009 6.1659 6.1694 9.1268 9.1311 9.6431 9.6450 9.8780 9.8889 10.8915 10.9044 11.1220 11.1248 k = 0.0932 0.5515 0.3901 ( 5229 PWs) bands (ev): -5.4248 -5.4247 -4.6411 -4.6410 -3.7709 -3.7699 -3.4032 -3.4024 -0.8620 -0.8605 -0.3242 -0.3176 -0.0568 -0.0528 -0.0371 -0.0160 0.1487 0.1743 0.1949 0.2231 0.2556 0.2777 0.3367 0.3566 0.4129 0.4158 0.4642 0.4848 0.6179 0.6539 1.6186 1.6360 2.3299 2.3366 2.5019 2.5046 2.6416 2.6541 2.9817 2.9887 3.7192 3.7250 4.1109 4.1138 4.5715 4.5768 4.9841 4.9896 5.4597 5.4658 6.1306 6.1338 9.2179 9.2222 9.6383 9.6398 9.8903 9.9018 10.9928 11.0091 11.1087 11.1106 k = 0.0746 0.5461 0.3967 ( 5225 PWs) bands (ev): -5.4334 -5.4334 -4.6394 -4.6393 -3.7330 -3.7320 -3.4245 -3.4237 -0.8774 -0.8761 -0.3216 -0.3162 -0.0559 -0.0529 -0.0382 -0.0223 0.1537 0.1733 0.1978 0.2208 0.2553 0.2731 0.3380 0.3538 0.4144 0.4173 0.4657 0.4826 0.6309 0.6598 1.6263 1.6410 2.3206 2.3263 2.4705 2.4745 2.6472 2.6582 2.9654 2.9722 3.7515 3.7569 4.1106 4.1141 4.5860 4.5912 5.0092 5.0141 5.4295 5.4348 6.0960 6.0988 9.3088 9.3133 9.6352 9.6362 9.8906 9.9023 11.0387 11.0503 11.1141 11.1239 k = 0.0559 0.5407 0.4034 ( 5220 PWs) bands (ev): -5.4401 -5.4401 -4.6384 -4.6384 -3.6969 -3.6960 -3.4469 -3.4461 -0.8899 -0.8889 -0.3194 -0.3152 -0.0549 -0.0527 -0.0391 -0.0277 0.1580 0.1721 0.2009 0.2184 0.2555 0.2689 0.3394 0.3511 0.4158 0.4184 0.4675 0.4805 0.6423 0.6639 1.6341 1.6457 2.3128 2.3175 2.4426 2.4470 2.6546 2.6635 2.9529 2.9588 3.7813 3.7859 4.1042 4.1077 4.6030 4.6075 5.0304 5.0345 5.4051 5.4094 6.0649 6.0672 9.3962 9.4010 9.6348 9.6355 9.8761 9.8871 11.0329 11.0397 11.1214 11.1329 k = 0.0373 0.5354 0.4101 ( 5224 PWs) bands (ev): -5.4449 -5.4449 -4.6379 -4.6378 -3.6647 -3.6640 -3.4689 -3.4682 -0.8990 -0.8983 -0.3176 -0.3148 -0.0540 -0.0525 -0.0395 -0.0322 0.1616 0.1706 0.2040 0.2158 0.2562 0.2652 0.3410 0.3487 0.4169 0.4189 0.4694 0.4782 0.6517 0.6661 1.6411 1.6491 2.3074 2.3109 2.4208 2.4245 2.6620 2.6683 2.9439 2.9483 3.8064 3.8099 4.0951 4.0980 4.6191 4.6224 5.0462 5.0492 5.3876 5.3907 6.0400 6.0416 9.4739 9.4785 9.6399 9.6403 9.8470 9.8565 11.0205 11.0250 11.1225 11.1305 k = 0.0186 0.5300 0.4167 ( 5226 PWs) bands (ev): -5.4479 -5.4478 -4.6376 -4.6376 -3.6402 -3.6398 -3.4870 -3.4865 -0.9045 -0.9041 -0.3163 -0.3148 -0.0531 -0.0524 -0.0393 -0.0357 0.1646 0.1690 0.2071 0.2130 0.2575 0.2620 0.3426 0.3465 0.4179 0.4189 0.4715 0.4760 0.6588 0.6660 1.6466 1.6506 2.3046 2.3066 2.4072 2.4094 2.6678 2.6711 2.9389 2.9413 3.8239 3.8259 4.0875 4.0892 4.6308 4.6325 5.0560 5.0576 5.3776 5.3792 6.0240 6.0248 9.5291 9.5321 9.6550 9.6561 9.8104 9.8170 11.0125 11.0149 11.1239 11.1281 k = 0.0000 0.5246 0.4234 ( 5224 PWs) bands (ev): -5.4488 -5.4488 -4.6375 -4.6375 -3.6303 -3.6303 -3.4944 -3.4944 -0.9062 -0.9062 -0.3153 -0.3153 -0.0525 -0.0525 -0.0380 -0.0380 0.1670 0.1670 0.2101 0.2101 0.2595 0.2595 0.3445 0.3445 0.4186 0.4186 0.4737 0.4737 0.6636 0.6636 1.6498 1.6498 2.3045 2.3045 2.4033 2.4033 2.6710 2.6710 2.9380 2.9380 3.8309 3.8309 4.0851 4.0851 4.6356 4.6356 5.0597 5.0597 5.3749 5.3749 6.0187 6.0187 9.5489 9.5489 9.6701 9.6701 9.7915 9.7915 11.0107 11.0107 11.1261 11.1261 k = 0.0000 0.5246 0.4234 ( 5224 PWs) bands (ev): -5.4488 -5.4488 -4.6375 -4.6375 -3.6303 -3.6303 -3.4944 -3.4944 -0.9062 -0.9062 -0.3153 -0.3153 -0.0525 -0.0525 -0.0380 -0.0380 0.1670 0.1670 0.2101 0.2101 0.2595 0.2595 0.3445 0.3445 0.4186 0.4186 0.4737 0.4737 0.6636 0.6636 1.6498 1.6498 2.3045 2.3045 2.4033 2.4033 2.6710 2.6710 2.9380 2.9380 3.8309 3.8309 4.0851 4.0851 4.6356 4.6356 5.0597 5.0597 5.3749 5.3749 6.0187 6.0187 9.5489 9.5489 9.6701 9.6701 9.7915 9.7915 11.0107 11.0107 11.1261 11.1261 k = 0.0083 0.5132 0.4375 ( 5220 PWs) bands (ev): -5.4480 -5.4480 -4.6372 -4.6372 -3.6314 -3.6313 -3.4947 -3.4947 -0.9056 -0.9053 -0.3162 -0.3146 -0.0531 -0.0518 -0.0380 -0.0378 0.1645 0.1693 0.2091 0.2109 0.2587 0.2602 0.3433 0.3458 0.4181 0.4190 0.4716 0.4757 0.6614 0.6635 1.6399 1.6420 2.3047 2.3075 2.4041 2.4041 2.6737 2.6752 2.9342 2.9346 3.8335 3.8346 4.0892 4.0910 4.6390 4.6394 5.0611 5.0613 5.3759 5.3762 6.0178 6.0186 9.5489 9.5490 9.6701 9.6703 9.7864 9.7869 11.0095 11.0107 11.1292 11.1297 k = 0.0167 0.5018 0.4516 ( 5220 PWs) bands (ev): -5.4456 -5.4456 -4.6363 -4.6362 -3.6344 -3.6342 -3.4957 -3.4956 -0.9035 -0.9029 -0.3172 -0.3139 -0.0537 -0.0511 -0.0377 -0.0373 0.1619 0.1715 0.2078 0.2113 0.2580 0.2610 0.3421 0.3471 0.4174 0.4192 0.4693 0.4775 0.6569 0.6612 1.6138 1.6177 2.3061 2.3114 2.4061 2.4062 2.6844 2.6872 2.9239 2.9245 3.8423 3.8443 4.1028 4.1063 4.6494 4.6503 5.0654 5.0657 5.3792 5.3798 6.0159 6.0176 9.5490 9.5492 9.6705 9.6708 9.7722 9.7730 11.0074 11.0094 11.1381 11.1394 k = 0.0250 0.4904 0.4657 ( 5216 PWs) bands (ev): -5.4417 -5.4416 -4.6347 -4.6346 -3.6394 -3.6392 -3.4973 -3.4972 -0.8999 -0.8991 -0.3183 -0.3134 -0.0541 -0.0504 -0.0372 -0.0365 0.1592 0.1737 0.2064 0.2114 0.2574 0.2618 0.3410 0.3485 0.4165 0.4193 0.4669 0.4792 0.6504 0.6567 1.5746 1.5801 2.3033 2.3105 2.4081 2.4083 2.7058 2.7096 2.9095 2.9101 3.8570 3.8599 4.1248 4.1298 4.6665 4.6680 5.0725 5.0730 5.3849 5.3857 6.0129 6.0155 9.5492 9.5494 9.6713 9.6718 9.7499 9.7511 11.0042 11.0065 11.1503 11.1527 k = 0.0333 0.4790 0.4798 ( 5212 PWs) bands (ev): -5.4361 -5.4361 -4.6325 -4.6324 -3.6464 -3.6460 -3.4997 -3.4995 -0.8949 -0.8937 -0.3196 -0.3130 -0.0544 -0.0497 -0.0365 -0.0354 0.1562 0.1758 0.2047 0.2110 0.2569 0.2626 0.3400 0.3499 0.4154 0.4193 0.4644 0.4807 0.6420 0.6503 1.5263 1.5330 2.2915 2.2998 2.4077 2.4084 2.7398 2.7441 2.8945 2.8948 3.8773 3.8810 4.1534 4.1597 4.6900 4.6919 5.0824 5.0830 5.3933 5.3944 6.0090 6.0125 9.5495 9.5497 9.6728 9.6733 9.7212 9.7228 10.9990 11.0012 11.1623 11.1660 k = 0.0417 0.4677 0.4939 ( 5214 PWs) bands (ev): -5.4289 -5.4289 -4.6298 -4.6297 -3.6551 -3.6547 -3.5027 -3.5025 -0.8884 -0.8869 -0.3209 -0.3127 -0.0546 -0.0491 -0.0357 -0.0339 0.1529 0.1778 0.2030 0.2101 0.2565 0.2633 0.3392 0.3512 0.4141 0.4191 0.4617 0.4820 0.6320 0.6422 1.4722 1.4799 2.2685 2.2773 2.4022 2.4035 2.7857 2.7901 2.8829 2.8831 3.9030 3.9074 4.1867 4.1941 4.7192 4.7215 5.0949 5.0956 5.4047 5.4060 6.0038 6.0083 9.5499 9.5500 9.6748 9.6753 9.6882 9.6901 10.9904 10.9920 11.1700 11.1751 k = 0.0500 0.4563 0.5081 ( 5220 PWs) bands (ev): -5.4203 -5.4202 -4.6267 -4.6266 -3.6655 -3.6650 -3.5063 -3.5061 -0.8804 -0.8786 -0.3224 -0.3126 -0.0546 -0.0484 -0.0348 -0.0322 0.1494 0.1799 0.2012 0.2088 0.2561 0.2639 0.3384 0.3526 0.4125 0.4188 0.4589 0.4831 0.6209 0.6328 1.4148 1.4233 2.2348 2.2438 2.3885 2.3906 2.8407 2.8451 2.8790 2.8799 3.9338 3.9388 4.2225 4.2308 4.7533 4.7561 5.1098 5.1105 5.4195 5.4210 5.9975 6.0030 9.5503 9.5504 9.6518 9.6540 9.6785 9.6789 10.9759 10.9767 11.1695 11.1756 k = 0.0583 0.4449 0.5222 ( 5218 PWs) bands (ev): -5.4100 -5.4100 -4.6232 -4.6230 -3.6775 -3.6769 -3.5107 -3.5105 -0.8711 -0.8689 -0.3241 -0.3127 -0.0545 -0.0477 -0.0338 -0.0301 0.1455 0.1818 0.1994 0.2070 0.2560 0.2646 0.3377 0.3539 0.4106 0.4183 0.4560 0.4839 0.6088 0.6224 1.3560 1.3654 2.1920 2.2013 2.3645 2.3674 2.8836 2.8857 2.9047 2.9085 3.9696 3.9751 4.2592 4.2681 4.7914 4.7947 5.1268 5.1276 5.4380 5.4396 5.9900 5.9966 9.5508 9.5508 9.6151 9.6176 9.6827 9.6830 10.9516 10.9518 11.1595 11.1665 k = 0.0667 0.4335 0.5363 ( 5222 PWs) bands (ev): -5.3982 -5.3982 -4.6194 -4.6193 -3.6908 -3.6901 -3.5159 -3.5156 -0.8604 -0.8578 -0.3259 -0.3129 -0.0542 -0.0471 -0.0326 -0.0278 0.1413 0.1838 0.1977 0.2047 0.2560 0.2651 0.3371 0.3552 0.4084 0.4175 0.4529 0.4844 0.5962 0.6113 1.2973 1.3074 2.1423 2.1518 2.3300 2.3336 2.9032 2.9057 2.9692 2.9732 4.0104 4.0163 4.2952 4.3045 4.8327 4.8365 5.1458 5.1466 5.4606 5.4622 5.9811 5.9889 9.5511 9.5515 9.5789 9.5819 9.6881 9.6882 10.9137 10.9148 11.1440 11.1514 k = 0.0750 0.4221 0.5504 ( 5228 PWs) bands (ev): -5.3850 -5.3850 -4.6155 -4.6154 -3.7052 -3.7045 -3.5217 -3.5214 -0.8484 -0.8454 -0.3279 -0.3133 -0.0537 -0.0464 -0.0315 -0.0253 0.1367 0.1856 0.1961 0.2021 0.2563 0.2656 0.3366 0.3563 0.4059 0.4165 0.4498 0.4845 0.5834 0.6000 1.2398 1.2506 2.0873 2.0971 2.2863 2.2903 2.9334 2.9363 3.0359 3.0400 4.0563 4.0624 4.3291 4.3386 4.8762 4.8806 5.1665 5.1673 5.4874 5.4888 5.9709 5.9800 9.5438 9.5438 9.5532 9.5559 9.6946 9.6946 10.8624 10.8640 11.1281 11.1356 k = 0.0833 0.4107 0.5645 ( 5230 PWs) bands (ev): -5.3702 -5.3702 -4.6117 -4.6116 -3.7206 -3.7199 -3.5283 -3.5280 -0.8352 -0.8316 -0.3300 -0.3139 -0.0530 -0.0458 -0.0302 -0.0226 0.1316 0.1870 0.1946 0.1993 0.2568 0.2659 0.3362 0.3574 0.4030 0.4152 0.4467 0.4842 0.5706 0.5887 1.1843 1.1958 2.0283 2.0386 2.2355 2.2398 2.9731 2.9763 3.1025 3.1065 4.1071 4.1134 4.3600 4.3695 4.9211 4.9261 5.1888 5.1896 5.5183 5.5196 5.9595 5.9699 9.5123 9.5141 9.5543 9.5554 9.7021 9.7022 10.7998 10.8017 11.1142 11.1215 k = 0.0917 0.3993 0.5786 ( 5232 PWs) bands (ev): -5.3540 -5.3540 -4.6082 -4.6080 -3.7366 -3.7358 -3.5357 -3.5354 -0.8207 -0.8166 -0.3324 -0.3147 -0.0521 -0.0451 -0.0290 -0.0198 0.1261 0.1874 0.1933 0.1971 0.2575 0.2663 0.3358 0.3582 0.3998 0.4134 0.4437 0.4834 0.5582 0.5778 1.1316 1.1435 1.9666 1.9774 2.1796 2.1840 3.0205 3.0238 3.1675 3.1716 4.1629 4.1693 4.3872 4.3965 4.9663 4.9720 5.2126 5.2134 5.5531 5.5541 5.9468 5.9588 9.4841 9.4860 9.5562 9.5571 9.7106 9.7108 10.7294 10.7314 11.1017 11.1086 k = 0.1000 0.3879 0.5927 ( 5232 PWs) bands (ev): -5.3364 -5.3364 -4.6050 -4.6049 -3.7530 -3.7522 -3.5439 -3.5435 -0.8051 -0.8005 -0.3349 -0.3157 -0.0511 -0.0444 -0.0277 -0.0169 0.1201 0.1857 0.1922 0.1968 0.2585 0.2665 0.3354 0.3587 0.3962 0.4111 0.4407 0.4820 0.5463 0.5674 1.0820 1.0945 1.9031 1.9145 2.1203 2.1248 3.0739 3.0773 3.2302 3.2343 4.2235 4.2298 4.4102 4.4192 5.0110 5.0175 5.2380 5.2387 5.5913 5.5920 5.9332 5.9466 9.4598 9.4618 9.5585 9.5592 9.7202 9.7203 10.6544 10.6564 11.0894 11.0955 k = 0.1083 0.3765 0.6068 ( 5234 PWs) bands (ev): -5.3175 -5.3174 -4.6026 -4.6024 -3.7694 -3.7685 -3.5529 -3.5525 -0.7885 -0.7832 -0.3377 -0.3171 -0.0499 -0.0438 -0.0265 -0.0139 0.1137 0.1822 0.1913 0.1980 0.2599 0.2666 0.3350 0.3589 0.3925 0.4083 0.4380 0.4799 0.5352 0.5579 1.0362 1.0489 1.8386 1.8508 2.0590 2.0635 3.1320 3.1355 3.2898 3.2939 4.2885 4.2946 4.4289 4.4375 5.0545 5.0619 5.2648 5.2655 5.6321 5.6324 5.9188 5.9338 9.4399 9.4419 9.5609 9.5615 9.7308 9.7308 10.5769 10.5790 11.0536 11.0645 k = 0.1167 0.3651 0.6210 ( 5234 PWs) bands (ev): -5.2972 -5.2971 -4.6011 -4.6009 -3.7855 -3.7846 -3.5627 -3.5622 -0.7709 -0.7649 -0.3408 -0.3187 -0.0485 -0.0431 -0.0253 -0.0110 0.1069 0.1780 0.1907 0.1999 0.2615 0.2667 0.3345 0.3585 0.3886 0.4050 0.4353 0.4769 0.5250 0.5496 0.9944 1.0072 1.7739 1.7869 1.9966 2.0011 3.1936 3.1971 3.3463 3.3503 4.3570 4.3630 4.4433 4.4515 5.0960 5.1043 5.2931 5.2938 5.6746 5.6746 5.9039 5.9206 9.4246 9.4265 9.5630 9.5634 9.7422 9.7424 10.4986 10.5007 10.9716 10.9781 k = 0.1250 0.3538 0.6351 ( 5236 PWs) bands (ev): -5.2756 -5.2755 -4.6009 -4.6007 -3.8009 -3.7999 -3.5733 -3.5728 -0.7525 -0.7457 -0.3442 -0.3207 -0.0469 -0.0425 -0.0240 -0.0082 0.0997 0.1735 0.1903 0.2022 0.2635 0.2666 0.3337 0.3574 0.3848 0.4011 0.4326 0.4730 0.5160 0.5425 0.9568 0.9695 1.7097 1.7235 1.9340 1.9385 3.2578 3.2612 3.3993 3.4034 4.4276 4.4338 4.4538 4.4618 5.1349 5.1442 5.3228 5.3235 5.7174 5.7179 5.8892 5.9075 9.4137 9.4155 9.5643 9.5645 9.7546 9.7551 10.4207 10.4227 10.8875 10.8907 k = 0.1333 0.3424 0.6492 ( 5242 PWs) bands (ev): -5.2527 -5.2527 -4.6021 -4.6019 -3.8152 -3.8142 -3.5847 -3.5841 -0.7333 -0.7257 -0.3480 -0.3230 -0.0453 -0.0419 -0.0228 -0.0057 0.0922 0.1692 0.1902 0.2046 0.2658 0.2664 0.3327 0.3553 0.3814 0.3970 0.4299 0.4680 0.5085 0.5369 0.9235 0.9358 1.6464 1.6611 1.8719 1.8763 3.3235 3.3270 3.4492 3.4531 4.4605 4.4662 4.5020 4.5059 5.1711 5.1812 5.3538 5.3545 5.7601 5.7608 5.8753 5.8949 9.4071 9.4089 9.5643 9.5643 9.7677 9.7686 10.3439 10.3459 10.8045 10.8060 k = 0.1417 0.3310 0.6633 ( 5238 PWs) bands (ev): -5.2287 -5.2287 -4.6052 -4.6050 -3.8281 -3.8271 -3.5968 -3.5962 -0.7135 -0.7051 -0.3521 -0.3258 -0.0436 -0.0413 -0.0215 -0.0035 0.0845 0.1652 0.1903 0.2070 0.2660 0.2684 0.3314 0.3522 0.3784 0.3926 0.4271 0.4620 0.5028 0.5331 0.8946 0.9059 1.5848 1.6005 1.8106 1.8150 3.3900 3.3936 3.4960 3.4998 4.4644 4.4698 4.5735 4.5773 5.2045 5.2152 5.3858 5.3867 5.8013 5.8020 5.8628 5.8834 9.4044 9.4062 9.5622 9.5625 9.7814 9.7827 10.2689 10.2708 10.7255 10.7260 k = 0.1500 0.3196 0.6774 ( 5244 PWs) bands (ev): -5.2036 -5.2036 -4.6103 -4.6102 -3.8392 -3.8382 -3.6097 -3.6091 -0.6932 -0.6839 -0.3567 -0.3292 -0.0420 -0.0408 -0.0201 -0.0019 0.0766 0.1619 0.1906 0.2093 0.2656 0.2713 0.3295 0.3482 0.3759 0.3883 0.4239 0.4552 0.4989 0.5310 0.8696 0.8796 1.5255 1.5421 1.7507 1.7551 3.4565 3.4602 3.5401 3.5438 4.4658 4.4705 4.6427 4.6458 5.2359 5.2470 5.4187 5.4198 5.8376 5.8399 5.8556 5.8738 9.4051 9.4069 9.5581 9.5585 9.7950 9.7967 10.1965 10.1982 10.6529 10.6529 k = 0.1583 0.3082 0.6915 ( 5240 PWs) bands (ev): -5.1775 -5.1775 -4.6178 -4.6176 -3.8482 -3.8472 -3.6233 -3.6226 -0.6727 -0.6623 -0.3617 -0.3330 -0.0404 -0.0403 -0.0186 -0.0008 0.0687 0.1594 0.1911 0.2113 0.2651 0.2744 0.3273 0.3435 0.3738 0.3845 0.4207 0.4477 0.4972 0.5306 0.8482 0.8565 1.4692 1.4866 1.6925 1.6969 3.5219 3.5260 3.5819 3.5853 4.4655 4.4696 4.7063 4.7086 5.2667 5.2776 5.4522 5.4535 5.8402 5.8634 5.8780 5.8802 9.4086 9.4105 9.5518 9.5522 9.8073 9.8094 10.1270 10.1285 10.5888 10.5889 k = 0.1667 0.2968 0.7056 ( 5236 PWs) bands (ev): -5.1504 -5.1504 -4.6277 -4.6275 -3.8549 -3.8539 -3.6375 -3.6369 -0.6519 -0.6406 -0.3673 -0.3375 -0.0399 -0.0390 -0.0169 -0.0005 0.0608 0.1578 0.1918 0.2130 0.2646 0.2776 0.3246 0.3386 0.3718 0.3812 0.4173 0.4400 0.4976 0.5320 0.8299 0.8358 1.4165 1.4348 1.6364 1.6408 3.5849 3.5898 3.6219 3.6247 4.4646 4.4679 4.7610 4.7621 5.2990 5.3092 5.4859 5.4876 5.8347 5.8585 5.9083 5.9111 9.4143 9.4162 9.5433 9.5437 9.8169 9.8192 10.0609 10.0623 10.5360 10.5361 k = 0.1750 0.2854 0.7198 ( 5232 PWs) bands (ev): -5.1224 -5.1224 -4.6402 -4.6400 -3.8591 -3.8581 -3.6524 -3.6517 -0.6311 -0.6188 -0.3735 -0.3427 -0.0394 -0.0378 -0.0150 -0.0009 0.0530 0.1572 0.1926 0.2140 0.2644 0.2808 0.3216 0.3339 0.3697 0.3787 0.4139 0.4323 0.5001 0.5351 0.8139 0.8169 1.3684 1.3872 1.5825 1.5870 3.6425 3.6494 3.6624 3.6635 4.4640 4.4665 4.8031 4.8033 5.3355 5.3446 5.5194 5.5215 5.8310 5.8545 5.9346 5.9376 9.4214 9.4234 9.5332 9.5334 9.8218 9.8243 9.9989 10.0000 10.4968 10.4969 k = 0.1833 0.2740 0.7339 ( 5236 PWs) bands (ev): -5.0936 -5.0936 -4.6553 -4.6551 -3.8607 -3.8597 -3.6677 -3.6670 -0.6104 -0.5971 -0.3804 -0.3486 -0.0389 -0.0368 -0.0130 -0.0021 0.0456 0.1575 0.1934 0.2141 0.2647 0.2836 0.3184 0.3299 0.3675 0.3770 0.4105 0.4248 0.5047 0.5398 0.7989 0.7994 1.3256 1.3447 1.5311 1.5357 3.6869 3.6939 3.7101 3.7114 4.4648 4.4666 4.8291 4.8305 5.3780 5.3857 5.5523 5.5549 5.8293 5.8519 5.9553 5.9582 9.4292 9.4312 9.5219 9.5220 9.8208 9.8232 9.9414 9.9422 10.4727 10.4731 k = 0.1917 0.2626 0.7480 ( 5240 PWs) bands (ev): -5.0642 -5.0642 -4.6729 -4.6728 -3.8597 -3.8588 -3.6835 -3.6828 -0.5901 -0.5758 -0.3880 -0.3553 -0.0384 -0.0361 -0.0108 -0.0038 0.0387 0.1586 0.1942 0.2132 0.2658 0.2860 0.3151 0.3269 0.3652 0.3762 0.4073 0.4178 0.5115 0.5462 0.7810 0.7857 1.2891 1.3082 1.4826 1.4874 3.7220 3.7280 3.7597 3.7624 4.4685 4.4695 4.8394 4.8416 5.4270 5.4334 5.5841 5.5874 5.8289 5.8505 5.9695 5.9724 9.4370 9.4391 9.5100 9.5103 9.8130 9.8155 9.8891 9.8895 10.4646 10.4654 k = 0.2000 0.2513 0.7621 ( 5234 PWs) bands (ev): -5.0342 -5.0341 -4.6929 -4.6928 -3.8563 -3.8553 -3.6996 -3.6988 -0.5701 -0.5551 -0.3963 -0.3629 -0.0378 -0.0355 -0.0087 -0.0061 0.0323 0.1605 0.1949 0.2112 0.2678 0.2878 0.3119 0.3254 0.3628 0.3762 0.4042 0.4114 0.5206 0.5541 0.7624 0.7721 1.2596 1.2782 1.4372 1.4422 3.7537 3.7595 3.8038 3.8074 4.4763 4.4767 4.8353 4.8379 5.4811 5.4864 5.6145 5.6185 5.8294 5.8495 5.9768 5.9796 9.4443 9.4463 9.4983 9.4990 9.7995 9.8019 9.8425 9.8427 10.4714 10.4726 k = 0.2083 0.2399 0.7762 ( 5242 PWs) bands (ev): -5.0037 -5.0037 -4.7152 -4.7151 -3.8505 -3.8496 -3.7159 -3.7151 -0.5508 -0.5352 -0.4056 -0.3712 -0.0372 -0.0351 -0.0087 -0.0068 0.0268 0.1628 0.1955 0.2085 0.2706 0.2888 0.3087 0.3252 0.3604 0.3768 0.4013 0.4056 0.5320 0.5635 0.7427 0.7581 1.2377 1.2555 1.3951 1.4004 3.7830 3.7888 3.8402 3.8442 4.4894 4.4896 4.8191 4.8217 5.5375 5.5421 5.6429 5.6478 5.8304 5.8488 5.9769 5.9795 9.4506 9.4525 9.4877 9.4886 9.7820 9.7843 9.8021 9.8028 10.4909 10.4924 k = 0.2167 0.2285 0.7903 ( 5238 PWs) bands (ev): -4.9730 -4.9730 -4.7394 -4.7393 -3.8427 -3.8417 -3.7322 -3.7314 -0.5321 -0.5164 -0.4157 -0.3803 -0.0364 -0.0347 -0.0113 -0.0053 0.0222 0.1653 0.1960 0.2054 0.2741 0.2892 0.3055 0.3261 0.3581 0.3780 0.3985 0.4006 0.5457 0.5741 0.7215 0.7436 1.2236 1.2405 1.3567 1.3623 3.8097 3.8158 3.8676 3.8718 4.5087 4.5092 4.7935 4.7958 5.5932 5.5973 5.6688 5.6746 5.8318 5.8483 5.9697 5.9719 9.4555 9.4572 9.4787 9.4798 9.7626 9.7646 9.7693 9.7707 10.5202 10.5220 k = 0.2250 0.2171 0.8044 ( 5248 PWs) bands (ev): -4.9422 -4.9421 -4.7653 -4.7652 -3.8329 -3.8319 -3.7485 -3.7476 -0.5142 -0.4990 -0.4267 -0.3898 -0.0357 -0.0345 -0.0138 -0.0041 0.0186 0.1678 0.1963 0.2022 0.2780 0.2893 0.3021 0.3275 0.3561 0.3795 0.3958 0.3964 0.5615 0.5853 0.6992 0.7290 1.2174 1.2331 1.3223 1.3282 3.8337 3.8401 3.8856 3.8899 4.5346 4.5353 4.7610 4.7628 5.6443 5.6480 5.6917 5.6988 5.8347 5.8489 5.9555 5.9573 9.4589 9.4602 9.4718 9.4731 9.7416 9.7432 9.7465 9.7488 10.5562 10.5582 k = 0.2333 0.2057 0.8185 ( 5250 PWs) bands (ev): -4.9114 -4.9113 -4.7927 -4.7926 -3.8215 -3.8205 -3.7644 -3.7636 -0.4972 -0.4839 -0.4388 -0.3992 -0.0349 -0.0343 -0.0159 -0.0035 0.0163 0.1700 0.1965 0.1994 0.2821 0.2893 0.2985 0.3291 0.3546 0.3813 0.3932 0.3934 0.5792 0.5961 0.6765 0.7156 1.2183 1.2332 1.2925 1.2985 3.8541 3.8612 3.8948 3.8986 4.5665 4.5672 4.7238 4.7250 5.6854 5.6884 5.7113 5.7197 5.8416 5.8528 5.9352 5.9362 9.4608 9.4618 9.4670 9.4685 9.7246 9.7266 9.7307 9.7331 10.5962 10.5984 k = 0.2417 0.1943 0.8327 ( 5256 PWs) bands (ev): -4.8808 -4.8807 -4.8212 -4.8211 -3.8087 -3.8078 -3.7799 -3.7790 -0.4812 -0.4727 -0.4517 -0.4071 -0.0343 -0.0341 -0.0174 -0.0033 0.0149 0.1717 0.1966 0.1974 0.2863 0.2893 0.2948 0.3302 0.3537 0.3829 0.3912 0.3914 0.5973 0.6046 0.6552 0.7054 1.2251 1.2403 1.2685 1.2737 3.8698 3.8783 3.8967 3.8992 4.6032 4.6036 4.6841 4.6847 5.7106 5.7117 5.7272 5.7361 5.8562 5.8638 5.9106 5.9108 9.4617 9.4621 9.4642 9.4662 9.7152 9.7176 9.7198 9.7221 10.6380 10.6402 k = 0.2500 0.1829 0.8468 ( 5244 PWs) bands (ev): -4.8507 -4.8506 -4.8506 -4.8506 -3.7955 -3.7940 -3.7940 -3.7937 -0.4682 -0.4682 -0.4638 -0.4104 -0.0341 -0.0341 -0.0179 -0.0032 0.0145 0.1723 0.1966 0.1966 0.2894 0.2894 0.2919 0.3306 0.3534 0.3837 0.3905 0.3905 0.6080 0.6080 0.6434 0.7014 1.2315 1.2518 1.2564 1.2564 3.8767 3.8878 3.8956 3.8956 4.6389 4.6389 4.6477 4.6478 5.7185 5.7185 5.7337 5.7426 5.8732 5.8797 5.8898 5.8898 9.4621 9.4621 9.4632 9.4655 9.7127 9.7155 9.7155 9.7175 10.6769 10.6806 k = 0.2500 0.1829 0.8468 ( 5244 PWs) bands (ev): -4.8507 -4.8506 -4.8506 -4.8506 -3.7955 -3.7940 -3.7940 -3.7937 -0.4682 -0.4682 -0.4638 -0.4104 -0.0341 -0.0341 -0.0179 -0.0032 0.0145 0.1723 0.1966 0.1966 0.2894 0.2894 0.2919 0.3306 0.3534 0.3837 0.3905 0.3905 0.6080 0.6080 0.6434 0.7014 1.2315 1.2518 1.2564 1.2564 3.8767 3.8878 3.8956 3.8956 4.6389 4.6389 4.6477 4.6478 5.7185 5.7185 5.7337 5.7426 5.8732 5.8797 5.8898 5.8898 9.4621 9.4621 9.4632 9.4655 9.7127 9.7155 9.7155 9.7175 10.6769 10.6806 k = 0.2632 0.1925 0.8348 ( 5256 PWs) bands (ev): -4.8678 -4.8677 -4.8338 -4.8337 -3.8031 -3.8021 -3.7860 -3.7852 -0.4745 -0.4709 -0.4572 -0.4095 -0.0359 -0.0323 -0.0181 -0.0027 0.0147 0.1718 0.1934 0.1997 0.2866 0.2904 0.2930 0.3308 0.3533 0.3835 0.3896 0.3920 0.5990 0.6066 0.6469 0.7007 1.2343 1.2520 1.2614 1.2685 3.8686 3.8794 3.8872 3.8881 4.6198 4.6198 4.6761 4.6766 5.7160 5.7165 5.7313 5.7400 5.8689 5.8752 5.9000 5.9001 9.4483 9.4489 9.4579 9.4588 9.7188 9.7211 9.7249 9.7273 10.6559 10.6573 k = 0.2763 0.2022 0.8229 ( 5258 PWs) bands (ev): -4.8834 -4.8834 -4.8190 -4.8189 -3.8106 -3.8097 -3.7774 -3.7767 -0.4827 -0.4762 -0.4500 -0.4075 -0.0376 -0.0310 -0.0181 -0.0013 0.0154 0.1704 0.1902 0.2024 0.2824 0.2910 0.2949 0.3312 0.3534 0.3830 0.3894 0.3941 0.5809 0.5976 0.6544 0.7004 1.2471 1.2639 1.2760 1.2871 3.8459 3.8563 3.8640 3.8656 4.6000 4.6000 4.7210 4.7218 5.7087 5.7090 5.7266 5.7336 5.8716 5.8786 5.9132 5.9143 9.4090 9.4094 9.4437 9.4439 9.7347 9.7366 9.7522 9.7545 10.6341 10.6350 k = 0.2895 0.2118 0.8110 ( 5255 PWs) bands (ev): -4.8976 -4.8975 -4.8061 -4.8060 -3.8174 -3.8166 -3.7692 -3.7685 -0.4909 -0.4832 -0.4439 -0.4051 -0.0392 -0.0306 -0.0172 0.0007 0.0166 0.1679 0.1871 0.2048 0.2776 0.2913 0.2970 0.3318 0.3535 0.3823 0.3899 0.3968 0.5594 0.5821 0.6623 0.7014 1.2703 1.2863 1.2970 1.3107 3.8068 3.8151 3.8330 3.8368 4.5846 4.5846 4.7716 4.7727 5.6943 5.6962 5.7235 5.7279 5.8840 5.8917 5.9250 5.9273 9.3522 9.3524 9.4229 9.4234 9.7580 9.7595 9.7904 9.7924 10.6148 10.6156 k = 0.3026 0.2214 0.7991 ( 5252 PWs) bands (ev): -4.9101 -4.9101 -4.7952 -4.7951 -3.8235 -3.8227 -3.7616 -3.7610 -0.4987 -0.4909 -0.4388 -0.4030 -0.0407 -0.0313 -0.0153 0.0030 0.0183 0.1641 0.1845 0.2066 0.2727 0.2910 0.2994 0.3325 0.3537 0.3815 0.3910 0.3999 0.5378 0.5629 0.6694 0.7034 1.3021 1.3167 1.3234 1.3391 3.7552 3.7626 3.7955 3.8003 4.5742 4.5743 4.8214 4.8226 5.6769 5.6794 5.7216 5.7245 5.9039 5.9124 5.9349 5.9386 9.2851 9.2851 9.3986 9.3996 9.7863 9.7877 9.8345 9.8363 10.5985 10.5993 k = 0.3158 0.2310 0.7871 ( 5249 PWs) bands (ev): -4.9210 -4.9210 -4.7863 -4.7862 -3.8287 -3.8279 -3.7550 -3.7544 -0.5060 -0.4987 -0.4348 -0.4013 -0.0420 -0.0327 -0.0127 0.0059 0.0205 0.1588 0.1825 0.2079 0.2683 0.2904 0.3020 0.3333 0.3540 0.3807 0.3929 0.4035 0.5180 0.5425 0.6754 0.7052 1.3404 1.3530 1.3547 1.3723 3.6964 3.7035 3.7511 3.7562 4.5686 4.5688 4.8655 4.8667 5.6591 5.6617 5.7202 5.7223 5.9279 5.9360 5.9464 5.9499 9.2124 9.2125 9.3727 9.3741 9.8182 9.8194 9.8818 9.8834 10.5850 10.5860 k = 0.3289 0.2407 0.7752 ( 5246 PWs) bands (ev): -4.9303 -4.9302 -4.7794 -4.7793 -3.8331 -3.8324 -3.7497 -3.7492 -0.5124 -0.5061 -0.4317 -0.4003 -0.0433 -0.0344 -0.0101 0.0096 0.0232 0.1519 0.1814 0.2086 0.2649 0.2893 0.3048 0.3343 0.3544 0.3798 0.3953 0.4076 0.5008 0.5230 0.6801 0.7065 1.3832 1.3902 1.3931 1.4099 3.6337 3.6407 3.7007 3.7057 4.5673 4.5675 4.9007 4.9018 5.6423 5.6447 5.7190 5.7208 5.9438 5.9443 5.9721 5.9759 9.1384 9.1384 9.3462 9.3480 9.8526 9.8539 9.9313 9.9326 10.5738 10.5750 k = 0.3421 0.2503 0.7633 ( 5247 PWs) bands (ev): -4.9378 -4.9377 -4.7744 -4.7744 -3.8367 -3.8360 -3.7458 -3.7454 -0.5176 -0.5126 -0.4295 -0.4000 -0.0445 -0.0364 -0.0078 0.0143 0.0263 0.1437 0.1813 0.2090 0.2630 0.2880 0.3079 0.3358 0.3549 0.3791 0.3983 0.4123 0.4867 0.5052 0.6837 0.7070 1.4279 1.4305 1.4354 1.4515 3.5693 3.5763 3.6458 3.6505 4.5690 4.5694 4.9252 4.9260 5.6271 5.6294 5.7179 5.7195 5.9464 5.9483 6.0068 6.0127 9.0662 9.0662 9.3200 9.3220 9.8891 9.8905 9.9823 9.9831 10.5644 10.5659 k = 0.3553 0.2599 0.7513 ( 5241 PWs) bands (ev): -4.9436 -4.9435 -4.7715 -4.7714 -3.8395 -3.8388 -3.7437 -3.7433 -0.5213 -0.5178 -0.4282 -0.4003 -0.0456 -0.0383 -0.0061 0.0202 0.0294 0.1348 0.1823 0.2092 0.2625 0.2865 0.3111 0.3380 0.3552 0.3785 0.4017 0.4176 0.4754 0.4899 0.6862 0.7066 1.4703 1.4778 1.4789 1.4962 3.5049 3.5120 3.5880 3.5923 4.5729 4.5733 4.9383 4.9388 5.6140 5.6160 5.7171 5.7186 5.9453 5.9482 6.0449 6.0514 8.9990 8.9991 9.2942 9.2964 9.9271 9.9288 10.0341 10.0344 10.5563 10.5581 k = 0.3684 0.2696 0.7394 ( 5241 PWs) bands (ev): -4.9475 -4.9475 -4.7704 -4.7704 -3.8413 -3.8407 -3.7433 -3.7430 -0.5234 -0.5214 -0.4277 -0.4014 -0.0466 -0.0403 -0.0050 0.0271 0.0323 0.1259 0.1845 0.2095 0.2631 0.2850 0.3143 0.3413 0.3551 0.3783 0.4055 0.4236 0.4670 0.4774 0.6880 0.7054 1.5138 1.5233 1.5266 1.5426 3.4419 3.4492 3.5289 3.5327 4.5778 4.5782 4.9404 4.9405 5.6031 5.6050 5.7166 5.7180 5.9414 5.9448 6.0822 6.0888 8.9397 8.9398 9.2692 9.2716 9.9665 9.9685 10.0860 10.0865 10.5489 10.5510 k = 0.3816 0.2792 0.7275 ( 5239 PWs) bands (ev): -4.9497 -4.9497 -4.7715 -4.7714 -3.8423 -3.8417 -3.7448 -3.7446 -0.5236 -0.5232 -0.4279 -0.4031 -0.0474 -0.0422 -0.0042 0.0344 0.0348 0.1180 0.1879 0.2101 0.2647 0.2836 0.3173 0.3460 0.3545 0.3787 0.4095 0.4299 0.4615 0.4681 0.6890 0.7036 1.5581 1.5679 1.5753 1.5891 3.3816 3.3891 3.4701 3.4732 4.5828 4.5832 4.9321 4.9325 5.5948 5.5965 5.7164 5.7177 5.9348 5.9384 6.1152 6.1216 8.8909 8.8912 9.2452 9.2476 10.0068 10.0092 10.1374 10.1388 10.5417 10.5440 k = 0.3947 0.2888 0.7155 ( 5240 PWs) bands (ev): -4.9500 -4.9500 -4.7745 -4.7745 -3.8423 -3.8418 -3.7480 -3.7479 -0.5231 -0.5220 -0.4289 -0.4055 -0.0482 -0.0439 -0.0036 0.0350 0.0431 0.1119 0.1923 0.2110 0.2670 0.2825 0.3198 0.3521 0.3533 0.3798 0.4133 0.4351 0.4595 0.4639 0.6895 0.7012 1.6023 1.6119 1.6227 1.6346 3.3252 3.3329 3.4130 3.4153 4.5872 4.5875 4.9145 4.9154 5.5891 5.5906 5.7166 5.7178 5.9258 5.9297 6.1406 6.1466 8.8550 8.8555 9.2222 9.2247 10.0477 10.0505 10.1878 10.1902 10.5338 10.5364 k = 0.4079 0.2984 0.7036 ( 5236 PWs) bands (ev): -4.9485 -4.9484 -4.7798 -4.7798 -3.8415 -3.8409 -3.7529 -3.7529 -0.5212 -0.5185 -0.4305 -0.4086 -0.0489 -0.0455 -0.0032 0.0339 0.0518 0.1079 0.1975 0.2122 0.2697 0.2819 0.3220 0.3514 0.3596 0.3816 0.4164 0.4363 0.4620 0.4681 0.6896 0.6984 1.6452 1.6545 1.6678 1.6779 3.2739 3.2817 3.3590 3.3604 4.5906 4.5907 4.8891 4.8904 5.5861 5.5875 5.7170 5.7180 5.9150 5.9190 6.1555 6.1611 8.8339 8.8348 9.2003 9.2029 10.0887 10.0920 10.2362 10.2399 10.5248 10.5274 k = 0.4211 0.3081 0.6917 ( 5228 PWs) bands (ev): -4.9451 -4.9450 -4.7872 -4.7872 -3.8397 -3.8391 -3.7593 -3.7593 -0.5174 -0.5133 -0.4326 -0.4122 -0.0495 -0.0469 -0.0028 0.0310 0.0606 0.1061 0.2030 0.2136 0.2728 0.2820 0.3239 0.3490 0.3678 0.3840 0.4182 0.4339 0.4703 0.4804 0.6893 0.6952 1.6859 1.6945 1.7095 1.7179 3.2288 3.2368 3.3093 3.3096 4.5923 4.5924 4.8569 4.8586 5.5859 5.5870 5.7169 5.7178 5.9033 5.9073 6.1578 6.1629 8.8289 8.8300 9.1797 9.1823 10.1293 10.1331 10.2815 10.2867 10.5138 10.5165 k = 0.4342 0.3177 0.6798 ( 5227 PWs) bands (ev): -4.9398 -4.9397 -4.7970 -4.7970 -3.8369 -3.8364 -3.7669 -3.7668 -0.5120 -0.5065 -0.4354 -0.4165 -0.0499 -0.0480 -0.0024 0.0268 0.0693 0.1058 0.2083 0.2152 0.2762 0.2827 0.3255 0.3462 0.3760 0.3866 0.4188 0.4307 0.4855 0.4989 0.6888 0.6918 1.7230 1.7308 1.7468 1.7535 3.1912 3.1992 3.2643 3.2651 4.5920 4.5924 4.8189 4.8209 5.5883 5.5893 5.7153 5.7159 5.8921 5.8961 6.1463 6.1509 8.8402 8.8416 9.1603 9.1629 10.1687 10.1732 10.3219 10.3286 10.5006 10.5035 k = 0.4474 0.3273 0.6678 ( 5229 PWs) bands (ev): -4.9326 -4.9325 -4.8093 -4.8093 -3.8333 -3.8328 -3.7753 -3.7752 -0.5053 -0.4987 -0.4387 -0.4214 -0.0502 -0.0489 -0.0020 0.0217 0.0779 0.1064 0.2130 0.2169 0.2797 0.2842 0.3269 0.3433 0.3833 0.3895 0.4188 0.4277 0.5079 0.5229 0.6881 0.6883 1.7554 1.7622 1.7788 1.7838 3.1621 3.1701 3.2254 3.2274 4.5899 4.5906 4.7758 4.7781 5.5933 5.5941 5.7105 5.7108 5.8835 5.8875 6.1208 6.1249 8.8670 8.8687 9.1423 9.1448 10.2061 10.2111 10.3540 10.3623 10.4869 10.4898 k = 0.4605 0.3369 0.6559 ( 5233 PWs) bands (ev): -4.9235 -4.9234 -4.8241 -4.8240 -3.8287 -3.8283 -3.7842 -3.7840 -0.4977 -0.4902 -0.4422 -0.4268 -0.0503 -0.0496 -0.0014 0.0163 0.0860 0.1072 0.2167 0.2184 0.2833 0.2864 0.3282 0.3403 0.3893 0.3923 0.4186 0.4252 0.5375 0.5525 0.6847 0.6872 1.7823 1.7877 1.8046 1.8081 3.1425 3.1503 3.1937 3.1969 4.5861 4.5872 4.7286 4.7309 5.6008 5.6014 5.7005 5.7006 5.8797 5.8834 6.0821 6.0857 8.9077 8.9097 9.1256 9.1281 10.2399 10.2455 10.3702 10.3791 10.4799 10.4820 k = 0.4737 0.3466 0.6440 ( 5237 PWs) bands (ev): -4.9124 -4.9123 -4.8415 -4.8415 -3.8232 -3.8228 -3.7931 -3.7929 -0.4895 -0.4820 -0.4454 -0.4327 -0.0503 -0.0499 -0.0007 0.0110 0.0938 0.1078 0.2193 0.2197 0.2870 0.2890 0.3295 0.3373 0.3941 0.3951 0.4187 0.4231 0.5738 0.5875 0.6813 0.6864 1.8028 1.8066 1.8237 1.8258 3.1330 3.1405 3.1697 3.1742 4.5807 4.5822 4.6776 4.6801 5.6103 5.6107 5.6840 5.6840 5.8821 5.8855 6.0318 6.0349 8.9598 8.9619 9.1105 9.1129 10.2679 10.2739 10.3613 10.3688 10.4890 10.4895 k = 0.4868 0.3562 0.6320 ( 5238 PWs) bands (ev): -4.8994 -4.8994 -4.8617 -4.8616 -3.8168 -3.8165 -3.8017 -3.8014 -0.4815 -0.4760 -0.4467 -0.4387 -0.0502 -0.0500 0.0002 0.0060 0.1012 0.1081 0.2208 0.2209 0.2907 0.2918 0.3306 0.3344 0.3976 0.3977 0.4192 0.4215 0.6156 0.6266 0.6797 0.6863 1.8165 1.8185 1.8360 1.8370 3.1337 3.1408 3.1534 3.1590 4.5741 4.5760 4.6236 4.6261 5.6209 5.6212 5.6614 5.6614 5.8907 5.8937 5.9723 5.9751 9.0201 9.0223 9.0968 9.0992 10.2861 10.2922 10.3312 10.3374 10.5078 10.5104 k = 0.5000 0.3658 0.6201 ( 5234 PWs) bands (ev): -4.8846 -4.8846 -4.8844 -4.8844 -3.8101 -3.8101 -3.8087 -3.8087 -0.4752 -0.4752 -0.4435 -0.4435 -0.0498 -0.0498 0.0013 0.0013 0.1081 0.1081 0.2216 0.2216 0.2945 0.2945 0.3318 0.3318 0.4001 0.4001 0.4202 0.4202 0.6568 0.6568 0.6921 0.6921 1.8237 1.8237 1.8421 1.8421 3.1443 3.1443 3.1511 3.1511 4.5658 4.5658 4.5701 4.5701 5.6272 5.6272 5.6378 5.6378 5.8994 5.8994 5.9150 5.9150 9.0845 9.0845 9.0873 9.0873 10.2875 10.2875 10.2960 10.2960 10.5292 10.5292 k = 0.5000 0.3658 0.6201 ( 5234 PWs) bands (ev): -4.8846 -4.8846 -4.8844 -4.8844 -3.8101 -3.8101 -3.8087 -3.8087 -0.4752 -0.4752 -0.4435 -0.4435 -0.0498 -0.0498 0.0013 0.0013 0.1081 0.1081 0.2216 0.2216 0.2945 0.2945 0.3318 0.3318 0.4001 0.4001 0.4202 0.4202 0.6568 0.6568 0.6921 0.6921 1.8237 1.8237 1.8421 1.8421 3.1443 3.1443 3.1511 3.1511 4.5658 4.5658 4.5701 4.5701 5.6272 5.6272 5.6378 5.6378 5.8994 5.8994 5.9150 5.9150 9.0845 9.0845 9.0873 9.0873 10.2875 10.2875 10.2960 10.2960 10.5292 10.5292 k = 0.5000 0.3658 0.6001 ( 5232 PWs) bands (ev): -4.8922 -4.8922 -4.8920 -4.8920 -3.8091 -3.8091 -3.8077 -3.8077 -0.4732 -0.4732 -0.4418 -0.4418 -0.0492 -0.0492 -0.0014 -0.0014 0.1132 0.1132 0.2220 0.2220 0.2997 0.2997 0.3307 0.3307 0.4030 0.4030 0.4208 0.4208 0.6972 0.6972 0.7327 0.7327 1.8296 1.8296 1.8471 1.8471 3.1527 3.1527 3.1598 3.1598 4.5108 4.5108 4.5156 4.5156 5.6087 5.6087 5.6204 5.6204 5.8568 5.8568 5.8739 5.8739 9.1292 9.1292 9.1321 9.1321 10.2360 10.2360 10.2442 10.2442 10.5395 10.5395 k = 0.5000 0.3658 0.5801 ( 5232 PWs) bands (ev): -4.9009 -4.9009 -4.9007 -4.9007 -3.8066 -3.8066 -3.8052 -3.8052 -0.4717 -0.4717 -0.4403 -0.4403 -0.0483 -0.0483 -0.0038 -0.0038 0.1179 0.1179 0.2217 0.2217 0.3045 0.3045 0.3299 0.3299 0.4046 0.4046 0.4222 0.4222 0.7386 0.7386 0.7744 0.7744 1.8373 1.8373 1.8537 1.8537 3.1612 3.1612 3.1686 3.1686 4.4567 4.4567 4.4620 4.4620 5.5887 5.5887 5.6018 5.6018 5.8155 5.8155 5.8343 5.8343 9.1712 9.1712 9.1744 9.1744 10.1775 10.1775 10.1848 10.1848 10.5377 10.5377 k = 0.5000 0.3658 0.5601 ( 5224 PWs) bands (ev): -4.9107 -4.9107 -4.9105 -4.9105 -3.8024 -3.8024 -3.8011 -3.8011 -0.4706 -0.4706 -0.4392 -0.4392 -0.0473 -0.0473 -0.0059 -0.0059 0.1220 0.1220 0.2209 0.2209 0.3085 0.3085 0.3298 0.3298 0.4052 0.4052 0.4243 0.4243 0.7798 0.7798 0.8160 0.8160 1.8472 1.8472 1.8625 1.8625 3.1698 3.1698 3.1774 3.1774 4.4043 4.4043 4.4100 4.4100 5.5672 5.5672 5.5817 5.5817 5.7762 5.7762 5.7967 5.7967 9.2082 9.2082 9.2119 9.2119 10.1172 10.1172 10.1234 10.1234 10.5213 10.5213 k = 0.5000 0.3658 0.5401 ( 5228 PWs) bands (ev): -4.9216 -4.9216 -4.9213 -4.9213 -3.7964 -3.7964 -3.7951 -3.7951 -0.4699 -0.4699 -0.4386 -0.4386 -0.0462 -0.0462 -0.0077 -0.0077 0.1256 0.1256 0.2199 0.2199 0.3116 0.3116 0.3303 0.3303 0.4050 0.4050 0.4268 0.4268 0.8197 0.8197 0.8562 0.8562 1.8599 1.8599 1.8741 1.8741 3.1784 3.1784 3.1861 3.1861 4.3546 4.3546 4.3608 4.3608 5.5441 5.5441 5.5601 5.5601 5.7395 5.7395 5.7617 5.7617 9.2372 9.2372 9.2417 9.2417 10.0588 10.0588 10.0636 10.0636 10.4910 10.4910 k = 0.5000 0.3658 0.5201 ( 5228 PWs) bands (ev): -4.9335 -4.9335 -4.9333 -4.9333 -3.7885 -3.7885 -3.7872 -3.7872 -0.4696 -0.4696 -0.4383 -0.4383 -0.0449 -0.0449 -0.0093 -0.0093 0.1287 0.1287 0.2186 0.2186 0.3135 0.3135 0.3318 0.3318 0.4044 0.4044 0.4294 0.4294 0.8568 0.8568 0.8937 0.8937 1.8763 1.8763 1.8892 1.8892 3.1867 3.1867 3.1945 3.1945 4.3086 4.3086 4.3151 4.3151 5.5195 5.5195 5.5368 5.5368 5.7059 5.7059 5.7296 5.7296 9.2552 9.2552 9.2606 9.2606 10.0052 10.0052 10.0085 10.0085 10.4488 10.4488 k = 0.5000 0.3658 0.5001 ( 5220 PWs) bands (ev): -4.9465 -4.9465 -4.9462 -4.9462 -3.7787 -3.7787 -3.7774 -3.7774 -0.4697 -0.4697 -0.4385 -0.4385 -0.0435 -0.0435 -0.0105 -0.0105 0.1312 0.1312 0.2173 0.2173 0.3143 0.3143 0.3341 0.3341 0.4036 0.4036 0.4320 0.4320 0.8898 0.8898 0.9273 0.9273 1.8970 1.8970 1.9087 1.9087 3.1946 3.1946 3.2025 3.2025 4.2668 4.2668 4.2736 4.2736 5.4933 5.4933 5.5115 5.5115 5.6758 5.6758 5.7006 5.7006 9.2590 9.2590 9.2655 9.2655 9.9586 9.9586 9.9605 9.9605 10.3978 10.3978 k = 0.5000 0.3658 0.4801 ( 5212 PWs) bands (ev): -4.9603 -4.9603 -4.9600 -4.9600 -3.7670 -3.7670 -3.7657 -3.7657 -0.4703 -0.4703 -0.4390 -0.4390 -0.0419 -0.0419 -0.0115 -0.0115 0.1331 0.1331 0.2159 0.2159 0.3144 0.3144 0.3368 0.3368 0.4026 0.4026 0.4346 0.4346 0.9174 0.9174 0.9557 0.9557 1.9227 1.9227 1.9333 1.9333 3.2021 3.2021 3.2099 3.2099 4.2301 4.2301 4.2372 4.2372 5.4657 5.4657 5.4845 5.4845 5.6496 5.6496 5.6750 5.6750 9.2465 9.2465 9.2542 9.2542 9.9192 9.9192 9.9205 9.9205 10.3415 10.3415 k = 0.5000 0.3658 0.4601 ( 5216 PWs) bands (ev): -4.9749 -4.9749 -4.9746 -4.9746 -3.7534 -3.7534 -3.7521 -3.7521 -0.4713 -0.4713 -0.4400 -0.4400 -0.0404 -0.0404 -0.0123 -0.0123 0.1345 0.1345 0.2144 0.2144 0.3140 0.3140 0.3396 0.3396 0.4016 0.4016 0.4371 0.4371 0.9387 0.9387 0.9777 0.9777 1.9539 1.9539 1.9637 1.9637 3.2090 3.2090 3.2167 3.2167 4.1988 4.1988 4.2062 4.2062 5.4370 5.4370 5.4559 5.4559 5.6271 5.6271 5.6527 5.6527 9.2177 9.2177 9.2263 9.2263 9.8844 9.8844 9.8867 9.8867 10.2841 10.2841 k = 0.5000 0.3658 0.4401 ( 5226 PWs) bands (ev): -4.9902 -4.9902 -4.9899 -4.9899 -3.7379 -3.7379 -3.7367 -3.7367 -0.4727 -0.4727 -0.4415 -0.4415 -0.0387 -0.0387 -0.0128 -0.0128 0.1353 0.1353 0.2129 0.2129 0.3132 0.3132 0.3424 0.3424 0.4006 0.4006 0.4395 0.4395 0.9530 0.9530 0.9928 0.9928 1.9909 1.9909 2.0001 2.0001 3.2153 3.2153 3.2228 3.2228 4.1736 4.1736 4.1811 4.1811 5.4076 5.4076 5.4263 5.4263 5.6082 5.6082 5.6335 5.6335 9.1747 9.1747 9.1838 9.1838 9.8500 9.8500 9.8534 9.8534 10.2300 10.2300 k = 0.5000 0.3658 0.4201 ( 5232 PWs) bands (ev): -5.0060 -5.0060 -5.0057 -5.0057 -3.7208 -3.7208 -3.7196 -3.7196 -0.4745 -0.4745 -0.4434 -0.4434 -0.0369 -0.0369 -0.0131 -0.0131 0.1355 0.1355 0.2115 0.2115 0.3122 0.3122 0.3451 0.3451 0.3996 0.3996 0.4418 0.4418 0.9600 0.9600 1.0006 1.0006 2.0336 2.0336 2.0424 2.0424 3.2208 3.2208 3.2282 3.2282 4.1546 4.1546 4.1623 4.1623 5.3778 5.3778 5.3961 5.3961 5.5925 5.5925 5.6172 5.6172 9.1205 9.1205 9.1299 9.1299 9.8102 9.8102 9.8144 9.8144 10.1835 10.1835 k = 0.5000 0.3658 0.4001 ( 5230 PWs) bands (ev): -5.0222 -5.0222 -5.0219 -5.0219 -3.7022 -3.7022 -3.7010 -3.7010 -0.4766 -0.4766 -0.4457 -0.4457 -0.0351 -0.0351 -0.0131 -0.0131 0.1352 0.1352 0.2100 0.2100 0.3109 0.3109 0.3477 0.3477 0.3987 0.3987 0.4440 0.4440 0.9598 0.9598 1.0012 1.0012 2.0815 2.0815 2.0902 2.0902 3.2257 3.2257 3.2327 3.2327 4.1420 4.1420 4.1498 4.1498 5.3480 5.3480 5.3657 5.3657 5.5798 5.5798 5.6038 5.6038 9.0587 9.0587 9.0682 9.0682 9.7607 9.7607 9.7651 9.7651 10.1465 10.1465 k = 0.5000 0.3658 0.3801 ( 5230 PWs) bands (ev): -5.0386 -5.0386 -5.0384 -5.0384 -3.6821 -3.6821 -3.6809 -3.6809 -0.4792 -0.4792 -0.4485 -0.4485 -0.0332 -0.0332 -0.0128 -0.0128 0.1343 0.1343 0.2086 0.2086 0.3093 0.3093 0.3499 0.3499 0.3980 0.3980 0.4461 0.4461 0.9531 0.9531 0.9951 0.9951 2.1339 2.1339 2.1427 2.1427 3.2299 3.2299 3.2366 3.2366 4.1358 4.1358 4.1436 4.1436 5.3184 5.3184 5.3356 5.3356 5.5697 5.5697 5.5930 5.5930 8.9922 8.9922 9.0016 9.0016 9.7005 9.7005 9.7049 9.7049 10.1177 10.1178 k = 0.5000 0.3658 0.3601 ( 5228 PWs) bands (ev): -5.0551 -5.0551 -5.0549 -5.0549 -3.6608 -3.6608 -3.6597 -3.6597 -0.4821 -0.4821 -0.4517 -0.4517 -0.0312 -0.0312 -0.0122 -0.0122 0.1329 0.1329 0.2071 0.2071 0.3075 0.3075 0.3518 0.3518 0.3975 0.3975 0.4481 0.4481 0.9404 0.9404 0.9832 0.9832 2.1901 2.1901 2.1989 2.1989 3.2334 3.2334 3.2398 3.2398 4.1358 4.1358 4.1438 4.1438 5.2893 5.2893 5.3060 5.3060 5.5623 5.5623 5.5848 5.5848 8.9233 8.9233 8.9325 8.9325 9.6317 9.6317 9.6357 9.6357 10.0938 10.0938 k = 0.5000 0.3658 0.3401 ( 5236 PWs) bands (ev): -5.0716 -5.0716 -5.0714 -5.0714 -3.6386 -3.6386 -3.6375 -3.6375 -0.4853 -0.4853 -0.4553 -0.4553 -0.0291 -0.0291 -0.0113 -0.0113 0.1308 0.1308 0.2054 0.2054 0.3055 0.3055 0.3534 0.3534 0.3973 0.3973 0.4500 0.4500 0.9227 0.9227 0.9662 0.9662 2.2488 2.2488 2.2578 2.2578 3.2362 3.2362 3.2424 3.2424 4.1420 4.1420 4.1500 4.1500 5.2608 5.2608 5.2770 5.2770 5.5572 5.5572 5.5790 5.5790 8.8539 8.8539 8.8628 8.8628 9.5569 9.5569 9.5607 9.5607 10.0708 10.0708 k = 0.5000 0.3658 0.3201 ( 5240 PWs) bands (ev): -5.0878 -5.0878 -5.0876 -5.0876 -3.6156 -3.6156 -3.6145 -3.6145 -0.4888 -0.4888 -0.4594 -0.4594 -0.0269 -0.0269 -0.0101 -0.0101 0.1282 0.1282 0.2035 0.2035 0.3033 0.3033 0.3546 0.3546 0.3973 0.3973 0.4518 0.4518 0.9011 0.9011 0.9451 0.9451 2.3093 2.3093 2.3184 2.3184 3.2385 3.2385 3.2444 3.2444 4.1539 4.1539 4.1620 4.1620 5.2330 5.2330 5.2488 5.2488 5.5546 5.5546 5.5755 5.5755 8.7853 8.7853 8.7939 8.7939 9.4788 9.4788 9.4824 9.4824 10.0458 10.0458 k = 0.5000 0.3658 0.3001 ( 5246 PWs) bands (ev): -5.1038 -5.1038 -5.1035 -5.1035 -3.5920 -3.5920 -3.5909 -3.5909 -0.4927 -0.4927 -0.4640 -0.4640 -0.0246 -0.0246 -0.0087 -0.0087 0.1251 0.1251 0.2013 0.2013 0.3009 0.3009 0.3554 0.3554 0.3977 0.3977 0.4534 0.4534 0.8763 0.8763 0.9210 0.9210 2.3705 2.3705 2.3796 2.3796 3.2401 3.2401 3.2458 3.2458 4.1712 4.1712 4.1794 4.1794 5.2059 5.2059 5.2213 5.2213 5.5542 5.5542 5.5743 5.5743 8.7187 8.7187 8.7270 8.7270 9.3993 9.3993 9.4026 9.4026 10.0168 10.0168 k = 0.5000 0.3658 0.2801 ( 5242 PWs) bands (ev): -5.1192 -5.1192 -5.1190 -5.1190 -3.5681 -3.5681 -3.5671 -3.5671 -0.4968 -0.4968 -0.4689 -0.4689 -0.0221 -0.0221 -0.0068 -0.0068 0.1214 0.1214 0.1985 0.1985 0.2985 0.2985 0.3558 0.3558 0.3985 0.3985 0.4550 0.4550 0.8494 0.8494 0.8946 0.8946 2.4315 2.4315 2.4406 2.4406 3.2411 3.2411 3.2466 3.2466 4.1936 4.1936 4.2019 4.2019 5.1796 5.1796 5.1947 5.1947 5.5561 5.5561 5.5753 5.5753 8.6550 8.6550 8.6629 8.6629 9.3196 9.3196 9.3228 9.3228 9.9825 9.9825 k = 0.5000 0.3658 0.2601 ( 5230 PWs) bands (ev): -5.1341 -5.1341 -5.1339 -5.1339 -3.5442 -3.5442 -3.5432 -3.5432 -0.5011 -0.5011 -0.4743 -0.4743 -0.0195 -0.0195 -0.0046 -0.0046 0.1173 0.1173 0.1950 0.1950 0.2963 0.2963 0.3558 0.3558 0.3997 0.3997 0.4565 0.4565 0.8213 0.8213 0.8670 0.8670 2.4916 2.4916 2.5007 2.5007 3.2413 3.2413 3.2467 3.2467 4.2205 4.2205 4.2289 4.2289 5.1540 5.1540 5.1687 5.1687 5.5601 5.5601 5.5783 5.5783 8.5950 8.5950 8.6025 8.6025 9.2408 9.2408 9.2438 9.2438 9.9423 9.9423 k = 0.5000 0.3658 0.2400 ( 5230 PWs) bands (ev): -5.1483 -5.1483 -5.1481 -5.1481 -3.5205 -3.5205 -3.5196 -3.5196 -0.5057 -0.5057 -0.4799 -0.4799 -0.0166 -0.0166 -0.0021 -0.0021 0.1128 0.1128 0.1905 0.1905 0.2944 0.2944 0.3554 0.3554 0.4011 0.4011 0.4578 0.4578 0.7927 0.7927 0.8388 0.8388 2.5501 2.5501 2.5591 2.5591 3.2407 3.2407 3.2460 3.2460 4.2514 4.2514 4.2600 4.2600 5.1290 5.1290 5.1435 5.1435 5.5660 5.5660 5.5833 5.5833 8.5395 8.5395 8.5464 8.5464 9.1635 9.1635 9.1664 9.1664 9.8959 9.8959 k = 0.5000 0.3658 0.2200 ( 5226 PWs) bands (ev): -5.1617 -5.1617 -5.1615 -5.1615 -3.4973 -3.4973 -3.4965 -3.4965 -0.5103 -0.5103 -0.4859 -0.4859 -0.0134 -0.0134 0.0008 0.0008 0.1078 0.1078 0.1850 0.1850 0.2928 0.2928 0.3546 0.3546 0.4029 0.4029 0.4589 0.4589 0.7645 0.7645 0.8108 0.8108 2.6065 2.6065 2.6153 2.6153 3.2391 3.2391 3.2444 3.2444 4.2857 4.2857 4.2945 4.2945 5.1047 5.1047 5.1188 5.1188 5.5737 5.5737 5.5900 5.5900 8.4891 8.4891 8.4955 8.4955 9.0882 9.0882 9.0909 9.0909 9.8438 9.8438 k = 0.5000 0.3658 0.2000 ( 5226 PWs) bands (ev): -5.1742 -5.1742 -5.1740 -5.1740 -3.4749 -3.4749 -3.4741 -3.4741 -0.5149 -0.5149 -0.4921 -0.4921 -0.0100 -0.0100 0.0040 0.0040 0.1025 0.1025 0.1782 0.1782 0.2919 0.2919 0.3534 0.3534 0.4050 0.4050 0.4597 0.4597 0.7373 0.7373 0.7835 0.7835 2.6602 2.6602 2.6688 2.6688 3.2365 3.2365 3.2418 3.2418 4.3228 4.3228 4.3318 4.3318 5.0808 5.0808 5.0946 5.0946 5.5829 5.5829 5.5981 5.5981 8.4443 8.4443 8.4501 8.4501 9.0152 9.0152 9.0178 9.0178 9.7866 9.7866 k = 0.5000 0.3658 0.1800 ( 5224 PWs) bands (ev): -5.1858 -5.1858 -5.1856 -5.1856 -3.4536 -3.4536 -3.4528 -3.4528 -0.5196 -0.5196 -0.4984 -0.4984 -0.0063 -0.0063 0.0077 0.0077 0.0969 0.0969 0.1702 0.1702 0.2918 0.2918 0.3518 0.3518 0.4073 0.4073 0.4602 0.4602 0.7118 0.7118 0.7574 0.7574 2.7110 2.7110 2.7194 2.7194 3.2328 3.2328 3.2381 3.2381 4.3620 4.3620 4.3712 4.3712 5.0574 5.0574 5.0708 5.0708 5.5933 5.5933 5.6073 5.6073 8.4057 8.4057 8.4110 8.4110 8.9447 8.9447 8.9472 8.9472 9.7259 9.7259 k = 0.5000 0.3658 0.1600 ( 5224 PWs) bands (ev): -5.1963 -5.1963 -5.1962 -5.1962 -3.4335 -3.4335 -3.4328 -3.4328 -0.5240 -0.5240 -0.5048 -0.5048 -0.0022 -0.0022 0.0119 0.0119 0.0910 0.0910 0.1609 0.1609 0.2924 0.2924 0.3497 0.3497 0.4099 0.4099 0.4603 0.4603 0.6885 0.6885 0.7330 0.7330 2.7585 2.7585 2.7668 2.7668 3.2279 3.2279 3.2333 3.2333 4.4024 4.4024 4.4118 4.4118 5.0343 5.0343 5.0473 5.0473 5.6046 5.6046 5.6174 5.6174 8.3739 8.3739 8.3785 8.3785 8.8770 8.8770 8.8794 8.8794 9.6634 9.6634 k = 0.5000 0.3658 0.1400 ( 5228 PWs) bands (ev): -5.2057 -5.2057 -5.2056 -5.2056 -3.4151 -3.4151 -3.4145 -3.4145 -0.5283 -0.5283 -0.5110 -0.5110 0.0022 0.0022 0.0166 0.0166 0.0848 0.0848 0.1507 0.1507 0.2938 0.2938 0.3473 0.3473 0.4127 0.4127 0.4598 0.4598 0.6678 0.6678 0.7105 0.7105 2.8027 2.8027 2.8105 2.8105 3.2219 3.2219 3.2272 3.2272 4.4434 4.4434 4.4529 4.4529 5.0114 5.0114 5.0240 5.0240 5.6163 5.6163 5.6278 5.6278 8.3490 8.3490 8.3531 8.3531 8.8121 8.8121 8.8144 8.8144 9.6014 9.6014 k = 0.5000 0.3658 0.1200 ( 5244 PWs) bands (ev): -5.2140 -5.2140 -5.2139 -5.2139 -3.3985 -3.3985 -3.3980 -3.3980 -0.5321 -0.5321 -0.5170 -0.5170 0.0069 0.0069 0.0218 0.0218 0.0785 0.0785 0.1396 0.1396 0.2959 0.2959 0.3444 0.3444 0.4157 0.4157 0.4587 0.4587 0.6503 0.6503 0.6901 0.6901 2.8431 2.8431 2.8506 2.8506 3.2147 3.2147 3.2199 3.2199 4.4839 4.4839 4.4934 4.4934 4.9889 4.9889 5.0009 5.0009 5.6280 5.6280 5.6381 5.6381 8.3314 8.3314 8.3350 8.3350 8.7505 8.7505 8.7527 8.7527 9.5423 9.5423 k = 0.5000 0.3658 0.1000 ( 5248 PWs) bands (ev): -5.2211 -5.2211 -5.2210 -5.2210 -3.3840 -3.3840 -3.3835 -3.3835 -0.5354 -0.5354 -0.5226 -0.5226 0.0119 0.0119 0.0278 0.0278 0.0721 0.0721 0.1279 0.1279 0.2987 0.2987 0.3411 0.3411 0.4190 0.4190 0.4569 0.4569 0.6361 0.6361 0.6720 0.6720 2.8795 2.8795 2.8865 2.8865 3.2066 3.2066 3.2116 3.2116 4.5231 4.5231 4.5324 4.5324 4.9670 4.9670 4.9782 4.9782 5.6392 5.6392 5.6478 5.6478 8.3212 8.3212 8.3243 8.3243 8.6925 8.6925 8.6947 8.6947 9.4883 9.4883 k = 0.5000 0.3658 0.0800 ( 5252 PWs) bands (ev): -5.2269 -5.2269 -5.2269 -5.2269 -3.3718 -3.3718 -3.3714 -3.3714 -0.5380 -0.5380 -0.5277 -0.5277 0.0172 0.0172 0.0346 0.0346 0.0657 0.0657 0.1160 0.1160 0.3021 0.3021 0.3373 0.3373 0.4225 0.4225 0.4543 0.4543 0.6256 0.6256 0.6563 0.6563 2.9116 2.9116 2.9178 2.9178 3.1979 3.1979 3.2027 3.2027 4.5597 4.5597 4.5685 4.5685 4.9460 4.9460 4.9562 4.9562 5.6494 5.6494 5.6564 5.6564 8.3179 8.3179 8.3206 8.3206 8.6390 8.6390 8.6411 8.6411 9.4414 9.4414 k = 0.5000 0.3658 0.0600 ( 5258 PWs) bands (ev): -5.2315 -5.2315 -5.2315 -5.2315 -3.3621 -3.3621 -3.3618 -3.3618 -0.5399 -0.5399 -0.5321 -0.5321 0.0227 0.0227 0.0421 0.0421 0.0593 0.0593 0.1040 0.1040 0.3060 0.3060 0.3333 0.3333 0.4263 0.4263 0.4511 0.4511 0.6186 0.6186 0.6429 0.6429 2.9387 2.9387 2.9440 2.9440 3.1895 3.1895 3.1936 3.1936 4.5925 4.5925 4.6003 4.6003 4.9268 4.9268 4.9357 4.9357 5.6581 5.6581 5.6634 5.6634 8.3209 8.3209 8.3232 8.3232 8.5913 8.5913 8.5933 8.5933 9.4034 9.4034 k = 0.5000 0.3658 0.0400 ( 5258 PWs) bands (ev): -5.2348 -5.2348 -5.2348 -5.2348 -3.3551 -3.3551 -3.3549 -3.3549 -0.5410 -0.5410 -0.5357 -0.5357 0.0283 0.0283 0.0500 0.0500 0.0534 0.0534 0.0922 0.0922 0.3103 0.3103 0.3289 0.3289 0.4302 0.4302 0.4472 0.4472 0.6152 0.6152 0.6320 0.6320 2.9599 2.9599 2.9638 2.9638 3.1822 3.1822 3.1853 3.1853 4.6194 4.6194 4.6255 4.6255 4.9110 4.9110 4.9178 4.9178 5.6649 5.6649 5.6685 5.6685 8.3282 8.3282 8.3300 8.3300 8.5519 8.5519 8.5535 8.5535 9.3755 9.3755 k = 0.5000 0.3658 0.0200 ( 5270 PWs) bands (ev): -5.2368 -5.2368 -5.2368 -5.2368 -3.3508 -3.3508 -3.3507 -3.3507 -0.5411 -0.5411 -0.5385 -0.5385 0.0342 0.0342 0.0463 0.0463 0.0601 0.0601 0.0809 0.0809 0.3148 0.3148 0.3242 0.3242 0.4344 0.4344 0.4431 0.4431 0.6150 0.6150 0.6236 0.6236 2.9740 2.9740 2.9761 2.9761 3.1774 3.1774 3.1791 3.1791 4.6382 4.6382 4.6416 4.6416 4.9009 4.9009 4.9046 4.9046 5.6695 5.6695 5.6713 5.6713 8.3364 8.3364 8.3375 8.3375 8.5245 8.5245 8.5255 8.5255 9.3585 9.3585 k = 0.5000 0.3658-0.0000 ( 5266 PWs) bands (ev): -5.2374 -5.2374 -5.2374 -5.2374 -3.3493 -3.3493 -3.3493 -3.3493 -0.5403 -0.5403 -0.5403 -0.5403 0.0402 0.0402 0.0402 0.0402 0.0701 0.0701 0.0701 0.0701 0.3195 0.3195 0.3195 0.3195 0.4387 0.4387 0.4387 0.4387 0.6179 0.6179 0.6179 0.6179 2.9796 2.9796 2.9796 2.9796 3.1762 3.1762 3.1762 3.1762 4.6460 4.6460 4.6460 4.6460 4.8985 4.8985 4.8985 4.8985 5.6717 5.6717 5.6717 5.6717 8.3406 8.3406 8.3406 8.3406 8.5148 8.5148 8.5148 8.5148 9.3531 9.3531 k = 0.0000 0.0000 0.8468 ( 5212 PWs) bands (ev): -4.8534 -4.8534 -4.8533 -4.8533 -3.7865 -3.7865 -3.7852 -3.7852 -0.4996 -0.4996 -0.4660 -0.4660 -0.0460 -0.0460 0.0149 0.0149 0.0957 0.0957 0.1274 0.1274 0.2814 0.2814 0.3118 0.3118 0.3909 0.3909 0.3946 0.3946 0.4497 0.4497 0.4670 0.4670 1.8030 1.8030 1.8252 1.8252 3.0922 3.0922 3.0945 3.0945 4.9606 4.9606 4.9624 4.9624 5.7337 5.7337 5.7411 5.7411 6.2455 6.2455 6.2496 6.2496 8.7640 8.7640 8.7648 8.7648 9.8960 9.8960 9.9004 9.9004 10.6727 10.6727 k = 0.0156 0.0114 0.8468 ( 5214 PWs) bands (ev): -4.8534 -4.8534 -4.8533 -4.8533 -3.7866 -3.7865 -3.7853 -3.7853 -0.4998 -0.4987 -0.4681 -0.4633 -0.0468 -0.0451 0.0126 0.0168 0.0849 0.1071 0.1277 0.1281 0.2800 0.2830 0.3072 0.3163 0.3878 0.3903 0.3913 0.4016 0.4448 0.4561 0.4645 0.4716 1.7959 1.7976 1.8176 1.8200 3.0998 3.1004 3.1013 3.1031 4.9590 4.9591 4.9609 4.9609 5.7335 5.7337 5.7406 5.7415 6.2414 6.2416 6.2452 6.2459 8.7693 8.7695 8.7699 8.7704 9.8957 9.8958 9.9001 9.9002 10.6723 10.6724 k = 0.0312 0.0229 0.8468 ( 5226 PWs) bands (ev): -4.8533 -4.8533 -4.8532 -4.8532 -3.7869 -3.7867 -3.7855 -3.7855 -0.4994 -0.4973 -0.4696 -0.4601 -0.0473 -0.0440 0.0098 0.0181 0.0747 0.1189 0.1292 0.1299 0.2787 0.2846 0.3027 0.3207 0.3813 0.3894 0.3914 0.4080 0.4424 0.4639 0.4641 0.4785 1.7767 1.7802 1.7976 1.8023 3.1224 3.1230 3.1235 3.1265 4.9544 4.9546 4.9563 4.9564 5.7331 5.7336 5.7399 5.7417 6.2294 6.2299 6.2330 6.2343 8.7853 8.7857 8.7857 8.7866 9.8950 9.8951 9.8994 9.8995 10.6713 10.6714 k = 0.0469 0.0343 0.8468 ( 5238 PWs) bands (ev): -4.8532 -4.8531 -4.8531 -4.8531 -3.7874 -3.7870 -3.7859 -3.7859 -0.4985 -0.4953 -0.4706 -0.4563 -0.0477 -0.0427 0.0067 0.0189 0.0652 0.1309 0.1317 0.1327 0.2776 0.2861 0.2983 0.3250 0.3754 0.3884 0.3911 0.4123 0.4439 0.4657 0.4729 0.4876 1.7471 1.7520 1.7669 1.7738 3.1581 3.1587 3.1602 3.1633 4.9467 4.9470 4.9486 4.9487 5.7325 5.7334 5.7391 5.7417 6.2101 6.2109 6.2136 6.2155 8.8112 8.8116 8.8118 8.8129 9.8938 9.8939 9.8980 9.8982 10.6696 10.6699 k = 0.0625 0.0457 0.8468 ( 5230 PWs) bands (ev): -4.8530 -4.8530 -4.8529 -4.8529 -3.7879 -3.7875 -3.7864 -3.7864 -0.4969 -0.4929 -0.4710 -0.4521 -0.0478 -0.0412 0.0033 0.0193 0.0563 0.1351 0.1363 0.1431 0.2769 0.2876 0.2942 0.3290 0.3700 0.3874 0.3908 0.4133 0.4506 0.4693 0.4832 0.4990 1.7090 1.7151 1.7273 1.7363 3.2048 3.2066 3.2083 3.2114 4.9357 4.9362 4.9376 4.9378 5.7318 5.7330 5.7380 5.7417 6.1846 6.1858 6.1882 6.1904 8.8464 8.8467 8.8472 8.8483 9.8917 9.8918 9.8957 9.8960 10.6675 10.6679 k = 0.0781 0.0572 0.8468 ( 5238 PWs) bands (ev): -4.8528 -4.8528 -4.8527 -4.8527 -3.7886 -3.7880 -3.7871 -3.7871 -0.4950 -0.4900 -0.4711 -0.4476 -0.0478 -0.0395 -0.0002 0.0193 0.0481 0.1391 0.1406 0.1551 0.2765 0.2889 0.2904 0.3327 0.3649 0.3865 0.3902 0.4120 0.4614 0.4748 0.4948 0.5125 1.6644 1.6716 1.6812 1.6922 3.2607 3.2638 3.2654 3.2685 4.9212 4.9219 4.9232 4.9235 5.7309 5.7327 5.7368 5.7416 6.1541 6.1558 6.1579 6.1603 8.8898 8.8900 8.8908 8.8918 9.8885 9.8885 9.8922 9.8925 10.6652 10.6656 k = 0.0938 0.0686 0.8468 ( 5242 PWs) bands (ev): -4.8526 -4.8525 -4.8525 -4.8525 -3.7894 -3.7887 -3.7878 -3.7878 -0.4926 -0.4869 -0.4707 -0.4428 -0.0475 -0.0377 -0.0037 0.0190 0.0405 0.1436 0.1454 0.1666 0.2766 0.2871 0.2901 0.3362 0.3602 0.3857 0.3895 0.4099 0.4749 0.4823 0.5077 0.5281 1.6156 1.6235 1.6305 1.6434 3.3237 3.3281 3.3295 3.3326 4.9031 4.9041 4.9051 4.9057 5.7298 5.7323 5.7354 5.7414 6.1201 6.1223 6.1243 6.1266 8.9400 8.9402 8.9411 8.9421 9.8837 9.8837 9.8871 9.8875 10.6627 10.6634 k = 0.1094 0.0800 0.8468 ( 5246 PWs) bands (ev): -4.8523 -4.8523 -4.8522 -4.8522 -3.7903 -3.7894 -3.7887 -3.7886 -0.4900 -0.4836 -0.4701 -0.4380 -0.0470 -0.0357 -0.0073 0.0185 0.0336 0.1483 0.1506 0.1772 0.2771 0.2843 0.2911 0.3394 0.3558 0.3852 0.3887 0.4075 0.4903 0.4918 0.5219 0.5457 1.5644 1.5727 1.5771 1.5920 3.3917 3.3974 3.3984 3.4017 4.8812 4.8827 4.8833 4.8842 5.7285 5.7319 5.7339 5.7412 6.0840 6.0871 6.0888 6.0908 8.9957 8.9960 8.9971 8.9979 9.8768 9.8770 9.8799 9.8803 10.6606 10.6614 k = 0.1250 0.0915 0.8468 ( 5248 PWs) bands (ev): -4.8521 -4.8520 -4.8520 -4.8519 -3.7911 -3.7902 -3.7895 -3.7895 -0.4871 -0.4802 -0.4694 -0.4331 -0.0464 -0.0337 -0.0108 0.0179 0.0272 0.1529 0.1560 0.1864 0.2781 0.2823 0.2919 0.3422 0.3516 0.3849 0.3879 0.4051 0.5033 0.5071 0.5375 0.5651 1.5125 1.5210 1.5227 1.5395 3.4627 3.4698 3.4702 3.4738 4.8556 4.8576 4.8577 4.8591 5.7272 5.7316 5.7322 5.7410 6.0474 6.0515 6.0532 6.0544 9.0556 9.0560 9.0571 9.0578 9.8674 9.8677 9.8701 9.8704 10.6591 10.6601 k = 0.1406 0.1029 0.8468 ( 5252 PWs) bands (ev): -4.8518 -4.8517 -4.8517 -4.8517 -3.7920 -3.7910 -3.7903 -3.7903 -0.4842 -0.4769 -0.4686 -0.4285 -0.0455 -0.0315 -0.0142 0.0173 0.0213 0.1572 0.1616 0.1939 0.2796 0.2812 0.2925 0.3447 0.3477 0.3849 0.3871 0.4028 0.5166 0.5249 0.5540 0.5859 1.4614 1.4687 1.4699 1.4876 3.5349 3.5431 3.5435 3.5471 4.8264 4.8285 4.8291 4.8304 5.7257 5.7303 5.7314 5.7409 6.0117 6.0171 6.0187 6.0188 9.1182 9.1188 9.1199 9.1204 9.8549 9.8554 9.8572 9.8574 10.6587 10.6598 k = 0.1562 0.1143 0.8468 ( 5246 PWs) bands (ev): -4.8516 -4.8515 -4.8515 -4.8514 -3.7928 -3.7917 -3.7912 -3.7911 -0.4812 -0.4738 -0.4678 -0.4241 -0.0444 -0.0292 -0.0175 0.0160 0.0167 0.1612 0.1672 0.1993 0.2809 0.2815 0.2928 0.3440 0.3470 0.3851 0.3864 0.4006 0.5316 0.5430 0.5713 0.6078 1.4127 1.4164 1.4207 1.4375 3.6065 3.6153 3.6165 3.6198 4.7941 4.7961 4.7977 4.7989 5.7241 5.7284 5.7314 5.7409 5.9782 5.9852 5.9853 5.9867 9.1821 9.1829 9.1839 9.1842 9.8389 9.8396 9.8408 9.8409 10.6595 10.6609 k = 0.1719 0.1258 0.8468 ( 5250 PWs) bands (ev): -4.8513 -4.8512 -4.8512 -4.8512 -3.7936 -3.7924 -3.7919 -3.7918 -0.4784 -0.4709 -0.4672 -0.4202 -0.0431 -0.0269 -0.0206 0.0112 0.0161 0.1646 0.1728 0.2028 0.2815 0.2837 0.2929 0.3406 0.3489 0.3855 0.3856 0.3986 0.5476 0.5609 0.5887 0.6299 1.3675 1.3679 1.3750 1.3906 3.6753 3.6846 3.6869 3.6898 4.7597 4.7616 4.7643 4.7653 5.7225 5.7264 5.7316 5.7411 5.9481 5.9551 5.9568 5.9583 9.2457 9.2468 9.2476 9.2476 9.8192 9.8202 9.8206 9.8207 10.6616 10.6633 k = 0.1875 0.1372 0.8468 ( 5256 PWs) bands (ev): -4.8511 -4.8510 -4.8510 -4.8510 -3.7942 -3.7930 -3.7926 -3.7925 -0.4757 -0.4685 -0.4667 -0.4168 -0.0417 -0.0246 -0.0237 0.0068 0.0155 0.1674 0.1781 0.2042 0.2828 0.2860 0.2927 0.3375 0.3504 0.3850 0.3862 0.3967 0.5639 0.5774 0.6054 0.6515 1.3233 1.3285 1.3342 1.3484 3.7390 3.7488 3.7522 3.7547 4.7248 4.7266 4.7306 4.7314 5.7210 5.7243 5.7320 5.7414 5.9222 5.9291 5.9329 5.9342 9.3071 9.3087 9.3089 9.3091 9.7961 9.7967 9.7971 9.7974 10.6650 10.6671 k = 0.2031 0.1486 0.8468 ( 5256 PWs) bands (ev): -4.8510 -4.8509 -4.8509 -4.8508 -3.7948 -3.7934 -3.7932 -3.7930 -0.4733 -0.4666 -0.4665 -0.4140 -0.0401 -0.0265 -0.0223 0.0030 0.0151 0.1695 0.1833 0.2040 0.2844 0.2882 0.2923 0.3347 0.3517 0.3845 0.3870 0.3950 0.5794 0.5915 0.6205 0.6711 1.2856 1.2961 1.3000 1.3124 3.7945 3.8048 3.8095 3.8115 4.6919 4.6934 4.6989 4.6994 5.7197 5.7223 5.7325 5.7418 5.9012 5.9080 5.9140 5.9151 9.3641 9.3656 9.3660 9.3662 9.7702 9.7705 9.7711 9.7721 10.6690 10.6717 k = 0.2188 0.1600 0.8468 ( 5256 PWs) bands (ev): -4.8508 -4.8507 -4.8507 -4.8507 -3.7952 -3.7938 -3.7936 -3.7934 -0.4713 -0.4667 -0.4650 -0.4120 -0.0383 -0.0292 -0.0201 -0.0001 0.0148 0.1710 0.1882 0.2025 0.2862 0.2901 0.2916 0.3325 0.3526 0.3841 0.3880 0.3933 0.5929 0.6020 0.6327 0.6871 1.2565 1.2725 1.2738 1.2841 3.8383 3.8490 3.8551 3.8565 4.6641 4.6652 4.6723 4.6725 5.7188 5.7206 5.7331 5.7422 5.8858 5.8925 5.9004 5.9013 9.4132 9.4143 9.4149 9.4159 9.7435 9.7448 9.7451 9.7466 10.6729 10.6764 k = 0.2344 0.1715 0.8468 ( 5260 PWs) bands (ev): -4.8507 -4.8507 -4.8507 -4.8506 -3.7954 -3.7940 -3.7939 -3.7936 -0.4695 -0.4673 -0.4641 -0.4108 -0.0363 -0.0317 -0.0185 -0.0024 0.0146 0.1720 0.1926 0.2000 0.2878 0.2906 0.2914 0.3311 0.3531 0.3838 0.3892 0.3918 0.6028 0.6077 0.6406 0.6977 1.2379 1.2574 1.2589 1.2650 3.8668 3.8778 3.8849 3.8856 4.6454 4.6459 4.6542 4.6543 5.7183 5.7193 5.7335 5.7425 5.8764 5.8829 5.8924 5.8928 9.4485 9.4492 9.4500 9.4519 9.7216 9.7239 9.7240 9.7259 10.6758 10.6798 k = 0.2500 0.1829 0.8468 ( 5244 PWs) bands (ev): -4.8507 -4.8506 -4.8506 -4.8506 -3.7955 -3.7940 -3.7940 -3.7937 -0.4682 -0.4682 -0.4638 -0.4104 -0.0341 -0.0341 -0.0179 -0.0032 0.0145 0.1723 0.1966 0.1966 0.2894 0.2894 0.2919 0.3306 0.3534 0.3837 0.3905 0.3905 0.6080 0.6080 0.6434 0.7014 1.2315 1.2518 1.2564 1.2564 3.8767 3.8878 3.8956 3.8956 4.6389 4.6389 4.6477 4.6478 5.7185 5.7185 5.7337 5.7426 5.8732 5.8797 5.8898 5.8898 9.4621 9.4621 9.4632 9.4655 9.7127 9.7155 9.7155 9.7175 10.6769 10.6806 Writing output data file ZnSiP2.save init_run : 1.67s CPU 1.05s WALL ( 1 calls) electrons : 462.25s CPU 336.44s WALL ( 1 calls) Called by init_run: wfcinit : 0.06s CPU 0.05s WALL ( 1 calls) potinit : 0.26s CPU 0.22s WALL ( 1 calls) Called by electrons: c_bands : 462.24s CPU 336.43s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.55s CPU 0.30s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.55s CPU 0.55s WALL ( 290 calls) cegterg : 387.13s CPU 293.79s WALL ( 445 calls) Called by sum_band: Called by *egterg: h_psi : 312.18s CPU 199.48s WALL ( 7007 calls) s_psi : 21.17s CPU 16.25s WALL ( 7007 calls) g_psi : 0.29s CPU 0.32s WALL ( 6272 calls) cdiaghg : 85.18s CPU 82.59s WALL ( 6562 calls) cegterg:over : 10.46s CPU 9.96s WALL ( 6272 calls) cegterg:upda : 10.02s CPU 9.33s WALL ( 6272 calls) cegterg:last : 3.94s CPU 3.96s WALL ( 1138 calls) cdiaghg:chol : 4.85s CPU 4.78s WALL ( 6562 calls) cdiaghg:inve : 3.46s CPU 3.36s WALL ( 6562 calls) cdiaghg:para : 5.85s CPU 5.68s WALL ( 13124 calls) Called by h_psi: h_psi:vloc : 271.59s CPU 167.76s WALL ( 7007 calls) h_psi:vnl : 40.13s CPU 31.38s WALL ( 7007 calls) add_vuspsi : 23.77s CPU 18.10s WALL ( 7007 calls) General routines calbec : 16.31s CPU 13.26s WALL ( 7007 calls) fft : 0.08s CPU 0.04s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 259.34s CPU 158.13s WALL ( 893720 calls) interpolate : 0.02s CPU 0.02s WALL ( 4 calls) davcio : 0.32s CPU 1.22s WALL ( 580 calls) Parallel routines fft_scatter : 81.33s CPU 61.39s WALL ( 893743 calls) PWSCF : 8m 4.58s CPU 6m14.27s WALL This run was terminated on: 4:49:41 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=