Program PWSCF v.5.1.1 starts on 15Jun2016 at 0:36: 0 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CdSiP2.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 158 43 12 6441 921 140 Max 159 44 13 6443 944 141 Sum 7595 2105 591 309211 44845 6735 bravais-lattice index = 14 lattice parameter (alat) = 12.4372 a.u. unit-cell volume = 1134.5969 (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 = 44.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.437221 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.627855 celldm(5)= -0.627855 celldm(6)= 0.255711 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.255711 0.966753 0.000000 ) a(3) = ( -0.627855 -0.483377 0.610037 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.264505 0.819623 ) b(2) = ( 0.000000 1.034390 0.819623 ) b(3) = ( 0.000000 0.000000 1.639246 ) PseudoPot. # 1 for Cd read from file: /home/autes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 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 1239 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 Si read from file: /home/autes/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. # 3 for P read from file: /home/autes/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 Cd 12.00 112.41100 Cd( 1.00) Si 4.00 28.08550 Si( 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 =( -0.1278554 ) ( 0.0000000 1.0000000 0.0000000 ) ( -0.4833767 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3050183 ) 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: E 1 s 2 -E -1 -s -2 Cartesian axes number of k points= 280 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 2) = ( 0.0000000 0.0000000 0.0204906), wk = 0.0035714 k( 3) = ( 0.0000000 0.0000000 0.0409811), wk = 0.0035714 k( 4) = ( 0.0000000 0.0000000 0.0614717), wk = 0.0035714 k( 5) = ( 0.0000000 0.0000000 0.0819623), wk = 0.0035714 k( 6) = ( 0.0000000 0.0000000 0.1024529), wk = 0.0035714 k( 7) = ( 0.0000000 0.0000000 0.1229434), wk = 0.0035714 k( 8) = ( 0.0000000 0.0000000 0.1434340), wk = 0.0035714 k( 9) = ( 0.0000000 0.0000000 0.1639246), wk = 0.0035714 k( 10) = ( 0.0000000 0.0000000 0.1844152), wk = 0.0035714 k( 11) = ( 0.0000000 0.0000000 0.2049057), wk = 0.0035714 k( 12) = ( 0.0000000 0.0000000 0.2253963), wk = 0.0035714 k( 13) = ( 0.0000000 0.0000000 0.2458869), wk = 0.0035714 k( 14) = ( 0.0000000 0.0000000 0.2663775), wk = 0.0035714 k( 15) = ( 0.0000000 0.0000000 0.2868680), wk = 0.0035714 k( 16) = ( 0.0000000 0.0000000 0.3073586), wk = 0.0035714 k( 17) = ( 0.0000000 0.0000000 0.3278492), wk = 0.0035714 k( 18) = ( 0.0000000 0.0000000 0.3483398), wk = 0.0035714 k( 19) = ( 0.0000000 0.0000000 0.3688303), wk = 0.0035714 k( 20) = ( 0.0000000 0.0000000 0.3893209), wk = 0.0035714 k( 21) = ( 0.0000000 0.0000000 0.4098115), wk = 0.0035714 k( 22) = ( 0.0000000 0.0000000 0.4303021), wk = 0.0035714 k( 23) = ( 0.0000000 0.0000000 0.4507926), wk = 0.0035714 k( 24) = ( 0.0000000 0.0000000 0.4712832), wk = 0.0035714 k( 25) = ( 0.0000000 0.0000000 0.4917738), wk = 0.0035714 k( 26) = ( 0.0000000 0.0000000 0.5122644), wk = 0.0035714 k( 27) = ( 0.0000000 0.0000000 0.5327549), wk = 0.0035714 k( 28) = ( 0.0000000 0.0000000 0.5532455), wk = 0.0035714 k( 29) = ( 0.0000000 0.0000000 0.5737361), wk = 0.0035714 k( 30) = ( 0.0000000 0.0000000 0.5942267), wk = 0.0035714 k( 31) = ( 0.0000000 0.0000000 0.6147172), wk = 0.0035714 k( 32) = ( 0.0000000 0.0000000 0.6352078), wk = 0.0035714 k( 33) = ( 0.0000000 0.0000000 0.6556984), wk = 0.0035714 k( 34) = ( 0.0000000 0.0000000 0.6761890), wk = 0.0035714 k( 35) = ( 0.0000000 0.0000000 0.6966795), wk = 0.0035714 k( 36) = ( 0.0000000 0.0000000 0.7171701), wk = 0.0035714 k( 37) = ( 0.0000000 0.0000000 0.7376607), wk = 0.0035714 k( 38) = ( 0.0000000 0.0000000 0.7581512), wk = 0.0035714 k( 39) = ( 0.0000000 0.0000000 0.7786418), wk = 0.0035714 k( 40) = ( 0.0000000 0.0000000 0.7991324), wk = 0.0035714 k( 41) = ( 0.0000000 0.0000000 0.8196230), wk = 0.0035714 k( 42) = ( 0.0000000 0.0000000 0.8196230), wk = 0.0035714 k( 43) = ( -0.0123484 0.0160393 0.8196230), wk = 0.0035714 k( 44) = ( -0.0246968 0.0320786 0.8196230), wk = 0.0035714 k( 45) = ( -0.0370452 0.0481178 0.8196230), wk = 0.0035714 k( 46) = ( -0.0493936 0.0641571 0.8196230), wk = 0.0035714 k( 47) = ( -0.0617420 0.0801964 0.8196230), wk = 0.0035714 k( 48) = ( -0.0740904 0.0962357 0.8196230), wk = 0.0035714 k( 49) = ( -0.0864388 0.1122750 0.8196230), wk = 0.0035714 k( 50) = ( -0.0987872 0.1283142 0.8196230), wk = 0.0035714 k( 51) = ( -0.1111357 0.1443535 0.8196230), wk = 0.0035714 k( 52) = ( -0.1234841 0.1603928 0.8196230), wk = 0.0035714 k( 53) = ( -0.1358325 0.1764321 0.8196230), wk = 0.0035714 k( 54) = ( -0.1481809 0.1924713 0.8196230), wk = 0.0035714 k( 55) = ( -0.1481809 0.1924713 0.8196230), wk = 0.0035714 k( 56) = ( -0.1569764 0.2038958 0.8052050), wk = 0.0035714 k( 57) = ( -0.1657718 0.2153201 0.7907871), wk = 0.0035714 k( 58) = ( -0.1745673 0.2267445 0.7763691), wk = 0.0035714 k( 59) = ( -0.1833628 0.2381689 0.7619512), wk = 0.0035714 k( 60) = ( -0.1921583 0.2495933 0.7475332), wk = 0.0035714 k( 61) = ( -0.2009537 0.2610177 0.7331153), wk = 0.0035714 k( 62) = ( -0.2097492 0.2724421 0.7186973), wk = 0.0035714 k( 63) = ( -0.2185447 0.2838665 0.7042794), wk = 0.0035714 k( 64) = ( -0.2273402 0.2952909 0.6898614), wk = 0.0035714 k( 65) = ( -0.2361357 0.3067153 0.6754435), wk = 0.0035714 k( 66) = ( -0.2449311 0.3181397 0.6610255), wk = 0.0035714 k( 67) = ( -0.2537266 0.3295641 0.6466075), wk = 0.0035714 k( 68) = ( -0.2625221 0.3409885 0.6321896), wk = 0.0035714 k( 69) = ( -0.2713176 0.3524129 0.6177717), wk = 0.0035714 k( 70) = ( -0.2801130 0.3638373 0.6033537), wk = 0.0035714 k( 71) = ( -0.2889085 0.3752617 0.5889357), wk = 0.0035714 k( 72) = ( -0.2977040 0.3866861 0.5745178), wk = 0.0035714 k( 73) = ( -0.3064995 0.3981105 0.5600998), wk = 0.0035714 k( 74) = ( -0.3152950 0.4095349 0.5456819), wk = 0.0035714 k( 75) = ( -0.3240904 0.4209593 0.5312639), wk = 0.0035714 k( 76) = ( -0.3240904 0.4209593 0.5312639), wk = 0.0035714 k( 77) = ( -0.3150879 0.4092660 0.5165066), wk = 0.0035714 k( 78) = ( -0.3060854 0.3975727 0.5017493), wk = 0.0035714 k( 79) = ( -0.2970829 0.3858794 0.4869919), wk = 0.0035714 k( 80) = ( -0.2880804 0.3741861 0.4722346), wk = 0.0035714 k( 81) = ( -0.2790779 0.3624928 0.4574773), wk = 0.0035714 k( 82) = ( -0.2700754 0.3507994 0.4427200), wk = 0.0035714 k( 83) = ( -0.2610729 0.3391061 0.4279626), wk = 0.0035714 k( 84) = ( -0.2520703 0.3274128 0.4132053), wk = 0.0035714 k( 85) = ( -0.2430678 0.3157195 0.3984480), wk = 0.0035714 k( 86) = ( -0.2340653 0.3040262 0.3836906), wk = 0.0035714 k( 87) = ( -0.2250628 0.2923329 0.3689333), wk = 0.0035714 k( 88) = ( -0.2160603 0.2806396 0.3541760), wk = 0.0035714 k( 89) = ( -0.2070578 0.2689462 0.3394186), wk = 0.0035714 k( 90) = ( -0.1980553 0.2572529 0.3246613), wk = 0.0035714 k( 91) = ( -0.1890528 0.2455596 0.3099040), wk = 0.0035714 k( 92) = ( -0.1800502 0.2338663 0.2951466), wk = 0.0035714 k( 93) = ( -0.1710477 0.2221730 0.2803893), wk = 0.0035714 k( 94) = ( -0.1620452 0.2104797 0.2656320), wk = 0.0035714 k( 95) = ( -0.1530427 0.1987864 0.2508746), wk = 0.0035714 k( 96) = ( -0.1440402 0.1870930 0.2361173), wk = 0.0035714 k( 97) = ( -0.1350377 0.1753997 0.2213600), wk = 0.0035714 k( 98) = ( -0.1260352 0.1637064 0.2066026), wk = 0.0035714 k( 99) = ( -0.1170327 0.1520131 0.1918453), wk = 0.0035714 k( 100) = ( -0.1080302 0.1403198 0.1770880), wk = 0.0035714 k( 101) = ( -0.0990276 0.1286265 0.1623306), wk = 0.0035714 k( 102) = ( -0.0900251 0.1169331 0.1475733), wk = 0.0035714 k( 103) = ( -0.0810226 0.1052398 0.1328160), wk = 0.0035714 k( 104) = ( -0.0720201 0.0935465 0.1180587), wk = 0.0035714 k( 105) = ( -0.0630176 0.0818532 0.1033013), wk = 0.0035714 k( 106) = ( -0.0540151 0.0701599 0.0885440), wk = 0.0035714 k( 107) = ( -0.0450126 0.0584666 0.0737867), wk = 0.0035714 k( 108) = ( -0.0360101 0.0467733 0.0590293), wk = 0.0035714 k( 109) = ( -0.0270075 0.0350799 0.0442720), wk = 0.0035714 k( 110) = ( -0.0180050 0.0233866 0.0295147), wk = 0.0035714 k( 111) = ( -0.0090025 0.0116933 0.0147573), wk = 0.0035714 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 114) = ( 0.0161290 0.0124175 0.0000000), wk = 0.0035714 k( 115) = ( 0.0322581 0.0248350 0.0000000), wk = 0.0035714 k( 116) = ( 0.0483871 0.0372525 0.0000000), wk = 0.0035714 k( 117) = ( 0.0645161 0.0496700 0.0000000), wk = 0.0035714 k( 118) = ( 0.0806452 0.0620875 0.0000000), wk = 0.0035714 k( 119) = ( 0.0967742 0.0745050 0.0000000), wk = 0.0035714 k( 120) = ( 0.1129032 0.0869225 0.0000000), wk = 0.0035714 k( 121) = ( 0.1290323 0.0993401 0.0000000), wk = 0.0035714 k( 122) = ( 0.1451613 0.1117576 0.0000000), wk = 0.0035714 k( 123) = ( 0.1612903 0.1241751 0.0000000), wk = 0.0035714 k( 124) = ( 0.1774194 0.1365926 0.0000000), wk = 0.0035714 k( 125) = ( 0.1935484 0.1490101 0.0000000), wk = 0.0035714 k( 126) = ( 0.2096774 0.1614276 0.0000000), wk = 0.0035714 k( 127) = ( 0.2258064 0.1738451 0.0000000), wk = 0.0035714 k( 128) = ( 0.2419355 0.1862626 0.0000000), wk = 0.0035714 k( 129) = ( 0.2580645 0.1986801 0.0000000), wk = 0.0035714 k( 130) = ( 0.2741936 0.2110976 0.0000000), wk = 0.0035714 k( 131) = ( 0.2903226 0.2235151 0.0000000), wk = 0.0035714 k( 132) = ( 0.3064516 0.2359326 0.0000000), wk = 0.0035714 k( 133) = ( 0.3225807 0.2483501 0.0000000), wk = 0.0035714 k( 134) = ( 0.3387097 0.2607676 0.0000000), wk = 0.0035714 k( 135) = ( 0.3548387 0.2731851 0.0000000), wk = 0.0035714 k( 136) = ( 0.3709677 0.2856026 0.0000000), wk = 0.0035714 k( 137) = ( 0.3870968 0.2980201 0.0000000), wk = 0.0035714 k( 138) = ( 0.4032258 0.3104377 0.0000000), wk = 0.0035714 k( 139) = ( 0.4193548 0.3228552 0.0000000), wk = 0.0035714 k( 140) = ( 0.4354839 0.3352727 0.0000000), wk = 0.0035714 k( 141) = ( 0.4516129 0.3476902 0.0000000), wk = 0.0035714 k( 142) = ( 0.4677419 0.3601077 0.0000000), wk = 0.0035714 k( 143) = ( 0.4838710 0.3725252 0.0000000), wk = 0.0035714 k( 144) = ( 0.5000000 0.3849427 0.0000000), wk = 0.0035714 k( 145) = ( 0.5000000 0.3849427 0.0000000), wk = 0.0035714 k( 146) = ( 0.4912045 0.3963671 0.0144180), wk = 0.0035714 k( 147) = ( 0.4824090 0.4077915 0.0288359), wk = 0.0035714 k( 148) = ( 0.4736136 0.4192159 0.0432538), wk = 0.0035714 k( 149) = ( 0.4648181 0.4306403 0.0576718), wk = 0.0035714 k( 150) = ( 0.4560226 0.4420647 0.0720898), wk = 0.0035714 k( 151) = ( 0.4472271 0.4534891 0.0865077), wk = 0.0035714 k( 152) = ( 0.4384317 0.4649135 0.1009257), wk = 0.0035714 k( 153) = ( 0.4296362 0.4763379 0.1153436), wk = 0.0035714 k( 154) = ( 0.4208407 0.4877623 0.1297616), wk = 0.0035714 k( 155) = ( 0.4120452 0.4991867 0.1441795), wk = 0.0035714 k( 156) = ( 0.4032497 0.5106111 0.1585975), wk = 0.0035714 k( 157) = ( 0.3944543 0.5220355 0.1730154), wk = 0.0035714 k( 158) = ( 0.3856588 0.5334599 0.1874334), wk = 0.0035714 k( 159) = ( 0.3768633 0.5448843 0.2018513), wk = 0.0035714 k( 160) = ( 0.3680678 0.5563087 0.2162693), wk = 0.0035714 k( 161) = ( 0.3592724 0.5677331 0.2306872), wk = 0.0035714 k( 162) = ( 0.3504769 0.5791575 0.2451052), wk = 0.0035714 k( 163) = ( 0.3416814 0.5905819 0.2595231), wk = 0.0035714 k( 164) = ( 0.3328859 0.6020063 0.2739411), wk = 0.0035714 k( 165) = ( 0.3240904 0.6134307 0.2883590), wk = 0.0035714 k( 166) = ( 0.3240904 0.6134307 0.2883590), wk = 0.0035714 k( 167) = ( 0.3060854 0.6080843 0.2951064), wk = 0.0035714 k( 168) = ( 0.2880804 0.6027378 0.3018537), wk = 0.0035714 k( 169) = ( 0.2700754 0.5973914 0.3086011), wk = 0.0035714 k( 170) = ( 0.2520703 0.5920450 0.3153485), wk = 0.0035714 k( 171) = ( 0.2340653 0.5866985 0.3220958), wk = 0.0035714 k( 172) = ( 0.2160603 0.5813521 0.3288432), wk = 0.0035714 k( 173) = ( 0.1980553 0.5760057 0.3355905), wk = 0.0035714 k( 174) = ( 0.1800502 0.5706593 0.3423379), wk = 0.0035714 k( 175) = ( 0.1620452 0.5653128 0.3490853), wk = 0.0035714 k( 176) = ( 0.1440402 0.5599664 0.3558326), wk = 0.0035714 k( 177) = ( 0.1260352 0.5546200 0.3625800), wk = 0.0035714 k( 178) = ( 0.1080302 0.5492736 0.3693273), wk = 0.0035714 k( 179) = ( 0.0900251 0.5439271 0.3760747), wk = 0.0035714 k( 180) = ( 0.0720201 0.5385807 0.3828220), wk = 0.0035714 k( 181) = ( 0.0540151 0.5332343 0.3895694), wk = 0.0035714 k( 182) = ( 0.0360101 0.5278879 0.3963168), wk = 0.0035714 k( 183) = ( 0.0180050 0.5225414 0.4030641), wk = 0.0035714 k( 184) = ( 0.0000000 0.5171950 0.4098115), wk = 0.0035714 k( 185) = ( 0.0000000 0.5171950 0.4098115), wk = 0.0035714 k( 186) = ( 0.0089286 0.5055977 0.4244476), wk = 0.0035714 k( 187) = ( 0.0178571 0.4940005 0.4390837), wk = 0.0035714 k( 188) = ( 0.0267857 0.4824032 0.4537199), wk = 0.0035714 k( 189) = ( 0.0357143 0.4708059 0.4683560), wk = 0.0035714 k( 190) = ( 0.0446429 0.4592086 0.4829921), wk = 0.0035714 k( 191) = ( 0.0535714 0.4476114 0.4976282), wk = 0.0035714 k( 192) = ( 0.0625000 0.4360141 0.5122644), wk = 0.0035714 k( 193) = ( 0.0714286 0.4244168 0.5269005), wk = 0.0035714 k( 194) = ( 0.0803571 0.4128195 0.5415366), wk = 0.0035714 k( 195) = ( 0.0892857 0.4012223 0.5561727), wk = 0.0035714 k( 196) = ( 0.0982143 0.3896250 0.5708089), wk = 0.0035714 k( 197) = ( 0.1071429 0.3780277 0.5854450), wk = 0.0035714 k( 198) = ( 0.1160714 0.3664304 0.6000811), wk = 0.0035714 k( 199) = ( 0.1250000 0.3548332 0.6147172), wk = 0.0035714 k( 200) = ( 0.1339286 0.3432359 0.6293534), wk = 0.0035714 k( 201) = ( 0.1428571 0.3316386 0.6439895), wk = 0.0035714 k( 202) = ( 0.1517857 0.3200414 0.6586256), wk = 0.0035714 k( 203) = ( 0.1607143 0.3084441 0.6732617), wk = 0.0035714 k( 204) = ( 0.1696429 0.2968468 0.6878979), wk = 0.0035714 k( 205) = ( 0.1785714 0.2852495 0.7025340), wk = 0.0035714 k( 206) = ( 0.1875000 0.2736523 0.7171701), wk = 0.0035714 k( 207) = ( 0.1964286 0.2620550 0.7318062), wk = 0.0035714 k( 208) = ( 0.2053571 0.2504577 0.7464423), wk = 0.0035714 k( 209) = ( 0.2142857 0.2388604 0.7610785), wk = 0.0035714 k( 210) = ( 0.2232143 0.2272632 0.7757146), wk = 0.0035714 k( 211) = ( 0.2321429 0.2156659 0.7903507), wk = 0.0035714 k( 212) = ( 0.2410714 0.2040686 0.8049869), wk = 0.0035714 k( 213) = ( 0.2500000 0.1924713 0.8196230), wk = 0.0035714 k( 214) = ( 0.2500000 0.1924713 0.8196230), wk = 0.0035714 k( 215) = ( 0.2625000 0.2020949 0.8074777), wk = 0.0035714 k( 216) = ( 0.2750000 0.2117185 0.7953325), wk = 0.0035714 k( 217) = ( 0.2875000 0.2213420 0.7831872), wk = 0.0035714 k( 218) = ( 0.3000000 0.2309656 0.7710420), wk = 0.0035714 k( 219) = ( 0.3125000 0.2405892 0.7588967), wk = 0.0035714 k( 220) = ( 0.3250000 0.2502128 0.7467515), wk = 0.0035714 k( 221) = ( 0.3375000 0.2598363 0.7346063), wk = 0.0035714 k( 222) = ( 0.3500000 0.2694599 0.7224610), wk = 0.0035714 k( 223) = ( 0.3625000 0.2790835 0.7103158), wk = 0.0035714 k( 224) = ( 0.3750000 0.2887070 0.6981705), wk = 0.0035714 k( 225) = ( 0.3875000 0.2983306 0.6860253), wk = 0.0035714 k( 226) = ( 0.4000000 0.3079542 0.6738800), wk = 0.0035714 k( 227) = ( 0.4125000 0.3175777 0.6617348), wk = 0.0035714 k( 228) = ( 0.4250000 0.3272013 0.6495895), wk = 0.0035714 k( 229) = ( 0.4375000 0.3368249 0.6374443), wk = 0.0035714 k( 230) = ( 0.4500000 0.3464484 0.6252991), wk = 0.0035714 k( 231) = ( 0.4625000 0.3560720 0.6131538), wk = 0.0035714 k( 232) = ( 0.4750000 0.3656956 0.6010086), wk = 0.0035714 k( 233) = ( 0.4875000 0.3753191 0.5888633), wk = 0.0035714 k( 234) = ( 0.5000000 0.3849427 0.5767181), wk = 0.0035714 k( 235) = ( 0.5000000 0.3849427 0.5767181), wk = 0.0035714 k( 236) = ( 0.5000000 0.3849427 0.5561210), wk = 0.0035714 k( 237) = ( 0.5000000 0.3849427 0.5355239), wk = 0.0035714 k( 238) = ( 0.5000000 0.3849427 0.5149269), wk = 0.0035714 k( 239) = ( 0.5000000 0.3849427 0.4943298), wk = 0.0035714 k( 240) = ( 0.5000000 0.3849427 0.4737327), wk = 0.0035714 k( 241) = ( 0.5000000 0.3849427 0.4531356), wk = 0.0035714 k( 242) = ( 0.5000000 0.3849427 0.4325385), wk = 0.0035714 k( 243) = ( 0.5000000 0.3849427 0.4119415), wk = 0.0035714 k( 244) = ( 0.5000000 0.3849427 0.3913444), wk = 0.0035714 k( 245) = ( 0.5000000 0.3849427 0.3707473), wk = 0.0035714 k( 246) = ( 0.5000000 0.3849427 0.3501503), wk = 0.0035714 k( 247) = ( 0.5000000 0.3849427 0.3295532), wk = 0.0035714 k( 248) = ( 0.5000000 0.3849427 0.3089561), wk = 0.0035714 k( 249) = ( 0.5000000 0.3849427 0.2883590), wk = 0.0035714 k( 250) = ( 0.5000000 0.3849427 0.2677620), wk = 0.0035714 k( 251) = ( 0.5000000 0.3849427 0.2471649), wk = 0.0035714 k( 252) = ( 0.5000000 0.3849427 0.2265678), wk = 0.0035714 k( 253) = ( 0.5000000 0.3849427 0.2059707), wk = 0.0035714 k( 254) = ( 0.5000000 0.3849427 0.1853737), wk = 0.0035714 k( 255) = ( 0.5000000 0.3849427 0.1647766), wk = 0.0035714 k( 256) = ( 0.5000000 0.3849427 0.1441795), wk = 0.0035714 k( 257) = ( 0.5000000 0.3849427 0.1235824), wk = 0.0035714 k( 258) = ( 0.5000000 0.3849427 0.1029854), wk = 0.0035714 k( 259) = ( 0.5000000 0.3849427 0.0823883), wk = 0.0035714 k( 260) = ( 0.5000000 0.3849427 0.0617912), wk = 0.0035714 k( 261) = ( 0.5000000 0.3849427 0.0411942), wk = 0.0035714 k( 262) = ( 0.5000000 0.3849427 0.0205971), wk = 0.0035714 k( 263) = ( 0.5000000 0.3849427 0.0000000), wk = 0.0035714 k( 264) = ( 0.0000000 0.0000000 0.8196230), wk = 0.0035714 k( 265) = ( 0.0156250 0.0120295 0.8196230), wk = 0.0035714 k( 266) = ( 0.0312500 0.0240589 0.8196230), wk = 0.0035714 k( 267) = ( 0.0468750 0.0360884 0.8196230), wk = 0.0035714 k( 268) = ( 0.0625000 0.0481178 0.8196230), wk = 0.0035714 k( 269) = ( 0.0781250 0.0601473 0.8196230), wk = 0.0035714 k( 270) = ( 0.0937500 0.0721768 0.8196230), wk = 0.0035714 k( 271) = ( 0.1093750 0.0842062 0.8196230), wk = 0.0035714 k( 272) = ( 0.1250000 0.0962357 0.8196230), wk = 0.0035714 k( 273) = ( 0.1406250 0.1082651 0.8196230), wk = 0.0035714 k( 274) = ( 0.1562500 0.1202946 0.8196230), wk = 0.0035714 k( 275) = ( 0.1718750 0.1323241 0.8196230), wk = 0.0035714 k( 276) = ( 0.1875000 0.1443535 0.8196230), wk = 0.0035714 k( 277) = ( 0.2031250 0.1563830 0.8196230), wk = 0.0035714 k( 278) = ( 0.2187500 0.1684124 0.8196230), wk = 0.0035714 k( 279) = ( 0.2343750 0.1804419 0.8196230), wk = 0.0035714 k( 280) = ( 0.2500000 0.1924713 0.8196230), wk = 0.0035714 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 2) = ( 0.0000000 0.0000000 0.0125000), wk = 0.0035714 k( 3) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0035714 k( 4) = ( 0.0000000 0.0000000 0.0375000), wk = 0.0035714 k( 5) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0035714 k( 6) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0035714 k( 7) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0035714 k( 8) = ( 0.0000000 0.0000000 0.0875000), wk = 0.0035714 k( 9) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0035714 k( 10) = ( 0.0000000 0.0000000 0.1125000), wk = 0.0035714 k( 11) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0035714 k( 12) = ( 0.0000000 0.0000000 0.1375000), wk = 0.0035714 k( 13) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0035714 k( 14) = ( 0.0000000 0.0000000 0.1625000), wk = 0.0035714 k( 15) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0035714 k( 16) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0035714 k( 17) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0035714 k( 18) = ( 0.0000000 0.0000000 0.2125000), wk = 0.0035714 k( 19) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0035714 k( 20) = ( 0.0000000 0.0000000 0.2375000), wk = 0.0035714 k( 21) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0035714 k( 22) = ( 0.0000000 0.0000000 0.2625000), wk = 0.0035714 k( 23) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0035714 k( 24) = ( 0.0000000 0.0000000 0.2875000), wk = 0.0035714 k( 25) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0035714 k( 26) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0035714 k( 27) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0035714 k( 28) = ( 0.0000000 0.0000000 0.3375000), wk = 0.0035714 k( 29) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0035714 k( 30) = ( 0.0000000 0.0000000 0.3625000), wk = 0.0035714 k( 31) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0035714 k( 32) = ( 0.0000000 0.0000000 0.3875000), wk = 0.0035714 k( 33) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0035714 k( 34) = ( 0.0000000 0.0000000 0.4125000), wk = 0.0035714 k( 35) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0035714 k( 36) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0035714 k( 37) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0035714 k( 38) = ( 0.0000000 0.0000000 0.4625000), wk = 0.0035714 k( 39) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0035714 k( 40) = ( 0.0000000 0.0000000 0.4875000), wk = 0.0035714 k( 41) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035714 k( 42) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035714 k( 43) = ( -0.0123484 0.0123484 0.5000000), wk = 0.0035714 k( 44) = ( -0.0246968 0.0246968 0.5000000), wk = 0.0035714 k( 45) = ( -0.0370452 0.0370452 0.5000000), wk = 0.0035714 k( 46) = ( -0.0493936 0.0493936 0.5000000), wk = 0.0035714 k( 47) = ( -0.0617420 0.0617420 0.5000000), wk = 0.0035714 k( 48) = ( -0.0740904 0.0740904 0.5000000), wk = 0.0035714 k( 49) = ( -0.0864388 0.0864388 0.5000000), wk = 0.0035714 k( 50) = ( -0.0987872 0.0987872 0.5000000), wk = 0.0035714 k( 51) = ( -0.1111357 0.1111357 0.5000000), wk = 0.0035714 k( 52) = ( -0.1234841 0.1234841 0.5000000), wk = 0.0035714 k( 53) = ( -0.1358325 0.1358325 0.5000000), wk = 0.0035714 k( 54) = ( -0.1481809 0.1481809 0.5000000), wk = 0.0035714 k( 55) = ( -0.1481809 0.1481809 0.5000000), wk = 0.0035714 k( 56) = ( -0.1569764 0.1569764 0.4912045), wk = 0.0035714 k( 57) = ( -0.1657718 0.1657718 0.4824090), wk = 0.0035714 k( 58) = ( -0.1745673 0.1745673 0.4736136), wk = 0.0035714 k( 59) = ( -0.1833628 0.1833628 0.4648181), wk = 0.0035714 k( 60) = ( -0.1921583 0.1921583 0.4560226), wk = 0.0035714 k( 61) = ( -0.2009537 0.2009537 0.4472271), wk = 0.0035714 k( 62) = ( -0.2097492 0.2097492 0.4384316), wk = 0.0035714 k( 63) = ( -0.2185447 0.2185447 0.4296362), wk = 0.0035714 k( 64) = ( -0.2273402 0.2273402 0.4208407), wk = 0.0035714 k( 65) = ( -0.2361357 0.2361357 0.4120452), wk = 0.0035714 k( 66) = ( -0.2449311 0.2449311 0.4032497), wk = 0.0035714 k( 67) = ( -0.2537266 0.2537266 0.3944543), wk = 0.0035714 k( 68) = ( -0.2625221 0.2625221 0.3856588), wk = 0.0035714 k( 69) = ( -0.2713176 0.2713176 0.3768633), wk = 0.0035714 k( 70) = ( -0.2801130 0.2801130 0.3680678), wk = 0.0035714 k( 71) = ( -0.2889085 0.2889085 0.3592724), wk = 0.0035714 k( 72) = ( -0.2977040 0.2977040 0.3504769), wk = 0.0035714 k( 73) = ( -0.3064995 0.3064995 0.3416814), wk = 0.0035714 k( 74) = ( -0.3152950 0.3152950 0.3328859), wk = 0.0035714 k( 75) = ( -0.3240904 0.3240904 0.3240904), wk = 0.0035714 k( 76) = ( -0.3240904 0.3240904 0.3240904), wk = 0.0035714 k( 77) = ( -0.3150879 0.3150879 0.3150879), wk = 0.0035714 k( 78) = ( -0.3060854 0.3060854 0.3060854), wk = 0.0035714 k( 79) = ( -0.2970829 0.2970829 0.2970829), wk = 0.0035714 k( 80) = ( -0.2880804 0.2880804 0.2880804), wk = 0.0035714 k( 81) = ( -0.2790779 0.2790779 0.2790779), wk = 0.0035714 k( 82) = ( -0.2700754 0.2700754 0.2700754), wk = 0.0035714 k( 83) = ( -0.2610729 0.2610728 0.2610729), wk = 0.0035714 k( 84) = ( -0.2520703 0.2520703 0.2520703), wk = 0.0035714 k( 85) = ( -0.2430678 0.2430678 0.2430678), wk = 0.0035714 k( 86) = ( -0.2340653 0.2340653 0.2340653), wk = 0.0035714 k( 87) = ( -0.2250628 0.2250628 0.2250628), wk = 0.0035714 k( 88) = ( -0.2160603 0.2160603 0.2160603), wk = 0.0035714 k( 89) = ( -0.2070578 0.2070578 0.2070578), wk = 0.0035714 k( 90) = ( -0.1980553 0.1980553 0.1980553), wk = 0.0035714 k( 91) = ( -0.1890528 0.1890528 0.1890528), wk = 0.0035714 k( 92) = ( -0.1800502 0.1800502 0.1800502), wk = 0.0035714 k( 93) = ( -0.1710477 0.1710477 0.1710477), wk = 0.0035714 k( 94) = ( -0.1620452 0.1620452 0.1620452), wk = 0.0035714 k( 95) = ( -0.1530427 0.1530427 0.1530427), wk = 0.0035714 k( 96) = ( -0.1440402 0.1440402 0.1440402), wk = 0.0035714 k( 97) = ( -0.1350377 0.1350377 0.1350377), wk = 0.0035714 k( 98) = ( -0.1260352 0.1260352 0.1260352), wk = 0.0035714 k( 99) = ( -0.1170327 0.1170327 0.1170327), wk = 0.0035714 k( 100) = ( -0.1080302 0.1080302 0.1080301), wk = 0.0035714 k( 101) = ( -0.0990276 0.0990276 0.0990276), wk = 0.0035714 k( 102) = ( -0.0900251 0.0900251 0.0900251), wk = 0.0035714 k( 103) = ( -0.0810226 0.0810226 0.0810226), wk = 0.0035714 k( 104) = ( -0.0720201 0.0720201 0.0720201), wk = 0.0035714 k( 105) = ( -0.0630176 0.0630176 0.0630176), wk = 0.0035714 k( 106) = ( -0.0540151 0.0540151 0.0540151), wk = 0.0035714 k( 107) = ( -0.0450126 0.0450126 0.0450126), wk = 0.0035714 k( 108) = ( -0.0360101 0.0360101 0.0360101), wk = 0.0035714 k( 109) = ( -0.0270075 0.0270075 0.0270075), wk = 0.0035714 k( 110) = ( -0.0180050 0.0180050 0.0180050), wk = 0.0035714 k( 111) = ( -0.0090025 0.0090025 0.0090025), wk = 0.0035714 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 114) = ( 0.0161290 0.0161290 -0.0161290), wk = 0.0035714 k( 115) = ( 0.0322581 0.0322581 -0.0322581), wk = 0.0035714 k( 116) = ( 0.0483871 0.0483871 -0.0483871), wk = 0.0035714 k( 117) = ( 0.0645161 0.0645161 -0.0645161), wk = 0.0035714 k( 118) = ( 0.0806452 0.0806452 -0.0806452), wk = 0.0035714 k( 119) = ( 0.0967742 0.0967742 -0.0967742), wk = 0.0035714 k( 120) = ( 0.1129032 0.1129032 -0.1129032), wk = 0.0035714 k( 121) = ( 0.1290323 0.1290323 -0.1290323), wk = 0.0035714 k( 122) = ( 0.1451613 0.1451613 -0.1451613), wk = 0.0035714 k( 123) = ( 0.1612903 0.1612903 -0.1612903), wk = 0.0035714 k( 124) = ( 0.1774194 0.1774194 -0.1774194), wk = 0.0035714 k( 125) = ( 0.1935484 0.1935484 -0.1935484), wk = 0.0035714 k( 126) = ( 0.2096774 0.2096774 -0.2096774), wk = 0.0035714 k( 127) = ( 0.2258064 0.2258064 -0.2258065), wk = 0.0035714 k( 128) = ( 0.2419355 0.2419355 -0.2419355), wk = 0.0035714 k( 129) = ( 0.2580645 0.2580645 -0.2580645), wk = 0.0035714 k( 130) = ( 0.2741936 0.2741936 -0.2741936), wk = 0.0035714 k( 131) = ( 0.2903226 0.2903226 -0.2903226), wk = 0.0035714 k( 132) = ( 0.3064516 0.3064516 -0.3064516), wk = 0.0035714 k( 133) = ( 0.3225807 0.3225807 -0.3225807), wk = 0.0035714 k( 134) = ( 0.3387097 0.3387097 -0.3387097), wk = 0.0035714 k( 135) = ( 0.3548387 0.3548387 -0.3548387), wk = 0.0035714 k( 136) = ( 0.3709677 0.3709677 -0.3709677), wk = 0.0035714 k( 137) = ( 0.3870968 0.3870968 -0.3870968), wk = 0.0035714 k( 138) = ( 0.4032258 0.4032258 -0.4032258), wk = 0.0035714 k( 139) = ( 0.4193548 0.4193548 -0.4193548), wk = 0.0035714 k( 140) = ( 0.4354839 0.4354839 -0.4354839), wk = 0.0035714 k( 141) = ( 0.4516129 0.4516129 -0.4516129), wk = 0.0035714 k( 142) = ( 0.4677419 0.4677419 -0.4677419), wk = 0.0035714 k( 143) = ( 0.4838710 0.4838710 -0.4838710), wk = 0.0035714 k( 144) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0035714 k( 145) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0035714 k( 146) = ( 0.4912045 0.5087955 -0.4912045), wk = 0.0035714 k( 147) = ( 0.4824090 0.5175910 -0.4824090), wk = 0.0035714 k( 148) = ( 0.4736136 0.5263864 -0.4736136), wk = 0.0035714 k( 149) = ( 0.4648181 0.5351819 -0.4648181), wk = 0.0035714 k( 150) = ( 0.4560226 0.5439774 -0.4560226), wk = 0.0035714 k( 151) = ( 0.4472271 0.5527729 -0.4472271), wk = 0.0035714 k( 152) = ( 0.4384317 0.5615684 -0.4384317), wk = 0.0035714 k( 153) = ( 0.4296362 0.5703638 -0.4296362), wk = 0.0035714 k( 154) = ( 0.4208407 0.5791593 -0.4208407), wk = 0.0035714 k( 155) = ( 0.4120452 0.5879548 -0.4120452), wk = 0.0035714 k( 156) = ( 0.4032497 0.5967503 -0.4032497), wk = 0.0035714 k( 157) = ( 0.3944543 0.6055457 -0.3944543), wk = 0.0035714 k( 158) = ( 0.3856588 0.6143412 -0.3856588), wk = 0.0035714 k( 159) = ( 0.3768633 0.6231367 -0.3768633), wk = 0.0035714 k( 160) = ( 0.3680678 0.6319322 -0.3680678), wk = 0.0035714 k( 161) = ( 0.3592724 0.6407276 -0.3592724), wk = 0.0035714 k( 162) = ( 0.3504769 0.6495231 -0.3504769), wk = 0.0035714 k( 163) = ( 0.3416814 0.6583186 -0.3416814), wk = 0.0035714 k( 164) = ( 0.3328859 0.6671141 -0.3328859), wk = 0.0035714 k( 165) = ( 0.3240904 0.6759096 -0.3240904), wk = 0.0035714 k( 166) = ( 0.3240904 0.6759096 -0.3240904), wk = 0.0035714 k( 167) = ( 0.3060854 0.6661368 -0.3060854), wk = 0.0035714 k( 168) = ( 0.2880804 0.6563640 -0.2880804), wk = 0.0035714 k( 169) = ( 0.2700754 0.6465913 -0.2700754), wk = 0.0035714 k( 170) = ( 0.2520703 0.6368185 -0.2520703), wk = 0.0035714 k( 171) = ( 0.2340653 0.6270458 -0.2340653), wk = 0.0035714 k( 172) = ( 0.2160603 0.6172730 -0.2160603), wk = 0.0035714 k( 173) = ( 0.1980553 0.6075003 -0.1980553), wk = 0.0035714 k( 174) = ( 0.1800502 0.5977275 -0.1800502), wk = 0.0035714 k( 175) = ( 0.1620452 0.5879548 -0.1620452), wk = 0.0035714 k( 176) = ( 0.1440402 0.5781820 -0.1440402), wk = 0.0035714 k( 177) = ( 0.1260352 0.5684093 -0.1260352), wk = 0.0035714 k( 178) = ( 0.1080302 0.5586365 -0.1080301), wk = 0.0035714 k( 179) = ( 0.0900251 0.5488638 -0.0900251), wk = 0.0035714 k( 180) = ( 0.0720201 0.5390910 -0.0720201), wk = 0.0035714 k( 181) = ( 0.0540151 0.5293183 -0.0540151), wk = 0.0035714 k( 182) = ( 0.0360101 0.5195455 -0.0360101), wk = 0.0035714 k( 183) = ( 0.0180050 0.5097727 -0.0180050), wk = 0.0035714 k( 184) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035714 k( 185) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035714 k( 186) = ( 0.0089286 0.4910714 0.0089286), wk = 0.0035714 k( 187) = ( 0.0178571 0.4821429 0.0178571), wk = 0.0035714 k( 188) = ( 0.0267857 0.4732143 0.0267857), wk = 0.0035714 k( 189) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0035714 k( 190) = ( 0.0446429 0.4553571 0.0446429), wk = 0.0035714 k( 191) = ( 0.0535714 0.4464286 0.0535714), wk = 0.0035714 k( 192) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0035714 k( 193) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0035714 k( 194) = ( 0.0803571 0.4196429 0.0803571), wk = 0.0035714 k( 195) = ( 0.0892857 0.4107143 0.0892857), wk = 0.0035714 k( 196) = ( 0.0982143 0.4017857 0.0982143), wk = 0.0035714 k( 197) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0035714 k( 198) = ( 0.1160714 0.3839286 0.1160714), wk = 0.0035714 k( 199) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0035714 k( 200) = ( 0.1339286 0.3660714 0.1339286), wk = 0.0035714 k( 201) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0035714 k( 202) = ( 0.1517857 0.3482143 0.1517857), wk = 0.0035714 k( 203) = ( 0.1607143 0.3392857 0.1607143), wk = 0.0035714 k( 204) = ( 0.1696429 0.3303571 0.1696429), wk = 0.0035714 k( 205) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0035714 k( 206) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0035714 k( 207) = ( 0.1964286 0.3035714 0.1964286), wk = 0.0035714 k( 208) = ( 0.2053571 0.2946429 0.2053571), wk = 0.0035714 k( 209) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0035714 k( 210) = ( 0.2232143 0.2767857 0.2232143), wk = 0.0035714 k( 211) = ( 0.2321429 0.2678571 0.2321429), wk = 0.0035714 k( 212) = ( 0.2410714 0.2589286 0.2410714), wk = 0.0035714 k( 213) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035714 k( 214) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035714 k( 215) = ( 0.2625000 0.2625000 0.2300910), wk = 0.0035714 k( 216) = ( 0.2750000 0.2750000 0.2101819), wk = 0.0035714 k( 217) = ( 0.2875000 0.2875000 0.1902729), wk = 0.0035714 k( 218) = ( 0.3000000 0.3000000 0.1703638), wk = 0.0035714 k( 219) = ( 0.3125000 0.3125000 0.1504548), wk = 0.0035714 k( 220) = ( 0.3250000 0.3250000 0.1305457), wk = 0.0035714 k( 221) = ( 0.3375000 0.3375000 0.1106367), wk = 0.0035714 k( 222) = ( 0.3500000 0.3500000 0.0907276), wk = 0.0035714 k( 223) = ( 0.3625000 0.3625000 0.0708186), wk = 0.0035714 k( 224) = ( 0.3750000 0.3750000 0.0509096), wk = 0.0035714 k( 225) = ( 0.3875000 0.3875000 0.0310005), wk = 0.0035714 k( 226) = ( 0.4000000 0.4000000 0.0110915), wk = 0.0035714 k( 227) = ( 0.4125000 0.4125000 -0.0088176), wk = 0.0035714 k( 228) = ( 0.4250000 0.4250000 -0.0287266), wk = 0.0035714 k( 229) = ( 0.4375000 0.4375000 -0.0486357), wk = 0.0035714 k( 230) = ( 0.4500000 0.4500000 -0.0685447), wk = 0.0035714 k( 231) = ( 0.4625000 0.4625000 -0.0884538), wk = 0.0035714 k( 232) = ( 0.4750000 0.4750000 -0.1083628), wk = 0.0035714 k( 233) = ( 0.4875000 0.4875000 -0.1282718), wk = 0.0035714 k( 234) = ( 0.5000000 0.5000000 -0.1481809), wk = 0.0035714 k( 235) = ( 0.5000000 0.5000000 -0.1481809), wk = 0.0035714 k( 236) = ( 0.5000000 0.5000000 -0.1607458), wk = 0.0035714 k( 237) = ( 0.5000000 0.5000000 -0.1733108), wk = 0.0035714 k( 238) = ( 0.5000000 0.5000000 -0.1858758), wk = 0.0035714 k( 239) = ( 0.5000000 0.5000000 -0.1984407), wk = 0.0035714 k( 240) = ( 0.5000000 0.5000000 -0.2110057), wk = 0.0035714 k( 241) = ( 0.5000000 0.5000000 -0.2235707), wk = 0.0035714 k( 242) = ( 0.5000000 0.5000000 -0.2361357), wk = 0.0035714 k( 243) = ( 0.5000000 0.5000000 -0.2487006), wk = 0.0035714 k( 244) = ( 0.5000000 0.5000000 -0.2612656), wk = 0.0035714 k( 245) = ( 0.5000000 0.5000000 -0.2738306), wk = 0.0035714 k( 246) = ( 0.5000000 0.5000000 -0.2863955), wk = 0.0035714 k( 247) = ( 0.5000000 0.5000000 -0.2989605), wk = 0.0035714 k( 248) = ( 0.5000000 0.5000000 -0.3115255), wk = 0.0035714 k( 249) = ( 0.5000000 0.5000000 -0.3240904), wk = 0.0035714 k( 250) = ( 0.5000000 0.5000000 -0.3366554), wk = 0.0035714 k( 251) = ( 0.5000000 0.5000000 -0.3492204), wk = 0.0035714 k( 252) = ( 0.5000000 0.5000000 -0.3617853), wk = 0.0035714 k( 253) = ( 0.5000000 0.5000000 -0.3743503), wk = 0.0035714 k( 254) = ( 0.5000000 0.5000000 -0.3869153), wk = 0.0035714 k( 255) = ( 0.5000000 0.5000000 -0.3994802), wk = 0.0035714 k( 256) = ( 0.5000000 0.5000000 -0.4120452), wk = 0.0035714 k( 257) = ( 0.5000000 0.5000000 -0.4246102), wk = 0.0035714 k( 258) = ( 0.5000000 0.5000000 -0.4371752), wk = 0.0035714 k( 259) = ( 0.5000000 0.5000000 -0.4497401), wk = 0.0035714 k( 260) = ( 0.5000000 0.5000000 -0.4623051), wk = 0.0035714 k( 261) = ( 0.5000000 0.5000000 -0.4748701), wk = 0.0035714 k( 262) = ( 0.5000000 0.5000000 -0.4874350), wk = 0.0035714 k( 263) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0035714 k( 264) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035714 k( 265) = ( 0.0156250 0.0156250 0.4843750), wk = 0.0035714 k( 266) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0035714 k( 267) = ( 0.0468750 0.0468750 0.4531250), wk = 0.0035714 k( 268) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0035714 k( 269) = ( 0.0781250 0.0781250 0.4218750), wk = 0.0035714 k( 270) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0035714 k( 271) = ( 0.1093750 0.1093750 0.3906250), wk = 0.0035714 k( 272) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0035714 k( 273) = ( 0.1406250 0.1406250 0.3593750), wk = 0.0035714 k( 274) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0035714 k( 275) = ( 0.1718750 0.1718750 0.3281250), wk = 0.0035714 k( 276) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0035714 k( 277) = ( 0.2031250 0.2031250 0.2968750), wk = 0.0035714 k( 278) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0035714 k( 279) = ( 0.2343750 0.2343750 0.2656250), wk = 0.0035714 k( 280) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035714 Dense grid: 309211 G-vectors FFT dimensions: ( 108, 108, 108) Smooth grid: 44845 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.23 Mb ( 240, 62) NL pseudopotentials 0.50 Mb ( 120, 272) Each V/rho on FFT grid 0.53 Mb ( 34992) Each G-vector array 0.05 Mb ( 6442) G-vector shells 0.02 Mb ( 2969) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.91 Mb ( 240, 248) Each subspace H/S matrix 0.94 Mb ( 248, 248) Each matrix 0.51 Mb ( 272, 2, 62) The potential is recalculated from file : ./CdSiP2.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 48.1 secs Computing kpt #: 2 total cpu time spent up to now is 53.5 secs Computing kpt #: 3 total cpu time spent up to now is 58.5 secs Computing kpt #: 4 total cpu time spent up to now is 63.2 secs Computing kpt #: 5 total cpu time spent up to now is 68.1 secs Computing kpt #: 6 total cpu time spent up to now is 73.0 secs Computing kpt #: 7 total cpu time spent up to now is 78.0 secs Computing kpt #: 8 total cpu time spent up to now is 83.5 secs Computing kpt #: 9 total cpu time spent up to now is 88.2 secs Computing kpt #: 10 total cpu time spent up to now is 92.8 secs Computing kpt #: 11 total cpu time spent up to now is 97.8 secs Computing kpt #: 12 total cpu time spent up to now is 102.5 secs Computing kpt #: 13 total cpu time spent up to now is 107.6 secs Computing kpt #: 14 total cpu time spent up to now is 113.4 secs Computing kpt #: 15 total cpu time spent up to now is 119.0 secs Computing kpt #: 16 total cpu time spent up to now is 124.6 secs Computing kpt #: 17 total cpu time spent up to now is 130.8 secs Computing kpt #: 18 total cpu time spent up to now is 138.4 secs Computing kpt #: 19 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 148.3 secs Computing kpt #: 20 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 157.6 secs Computing kpt #: 21 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 169.4 secs Computing kpt #: 22 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 179.2 secs Computing kpt #: 23 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 191.3 secs Computing kpt #: 24 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 201.3 secs Computing kpt #: 25 total cpu time spent up to now is 212.2 secs Computing kpt #: 26 total cpu time spent up to now is 220.2 secs Computing kpt #: 27 total cpu time spent up to now is 227.8 secs Computing kpt #: 28 total cpu time spent up to now is 238.2 secs Computing kpt #: 29 total cpu time spent up to now is 245.1 secs Computing kpt #: 30 total cpu time spent up to now is 253.0 secs Computing kpt #: 31 total cpu time spent up to now is 262.6 secs Computing kpt #: 32 total cpu time spent up to now is 270.0 secs Computing kpt #: 33 total cpu time spent up to now is 280.2 secs Computing kpt #: 34 total cpu time spent up to now is 288.2 secs Computing kpt #: 35 total cpu time spent up to now is 299.3 secs Computing kpt #: 36 total cpu time spent up to now is 308.0 secs Computing kpt #: 37 total cpu time spent up to now is 319.8 secs Computing kpt #: 38 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 329.4 secs Computing kpt #: 39 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 342.0 secs Computing kpt #: 40 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 351.1 secs Computing kpt #: 41 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 362.3 secs Computing kpt #: 42 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 371.1 secs Computing kpt #: 43 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 383.9 secs Computing kpt #: 44 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 392.9 secs Computing kpt #: 45 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 404.6 secs Computing kpt #: 46 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 413.5 secs Computing kpt #: 47 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 425.9 secs Computing kpt #: 48 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 434.8 secs Computing kpt #: 49 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 447.3 secs Computing kpt #: 50 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 456.4 secs Computing kpt #: 51 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 468.3 secs Computing kpt #: 52 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 477.2 secs Computing kpt #: 53 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 490.0 secs Computing kpt #: 54 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 499.5 secs Computing kpt #: 55 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 512.7 secs Computing kpt #: 56 total cpu time spent up to now is 521.8 secs Computing kpt #: 57 total cpu time spent up to now is 528.9 secs Computing kpt #: 58 total cpu time spent up to now is 539.1 secs Computing kpt #: 59 total cpu time spent up to now is 545.8 secs Computing kpt #: 60 total cpu time spent up to now is 552.4 secs Computing kpt #: 61 total cpu time spent up to now is 561.0 secs Computing kpt #: 62 total cpu time spent up to now is 566.8 secs Computing kpt #: 63 total cpu time spent up to now is 575.5 secs Computing kpt #: 64 total cpu time spent up to now is 582.9 secs Computing kpt #: 65 total cpu time spent up to now is 588.9 secs Computing kpt #: 66 total cpu time spent up to now is 598.4 secs Computing kpt #: 67 total cpu time spent up to now is 606.0 secs Computing kpt #: 68 total cpu time spent up to now is 614.3 secs Computing kpt #: 69 total cpu time spent up to now is 625.2 secs Computing kpt #: 70 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 634.4 secs Computing kpt #: 71 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 647.5 secs Computing kpt #: 72 total cpu time spent up to now is 656.5 secs Computing kpt #: 73 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 668.8 secs Computing kpt #: 74 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 678.0 secs Computing kpt #: 75 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 691.3 secs Computing kpt #: 76 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 700.3 secs Computing kpt #: 77 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 713.1 secs Computing kpt #: 78 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 722.3 secs Computing kpt #: 79 total cpu time spent up to now is 730.7 secs Computing kpt #: 80 total cpu time spent up to now is 741.7 secs Computing kpt #: 81 total cpu time spent up to now is 749.1 secs Computing kpt #: 82 total cpu time spent up to now is 756.2 secs Computing kpt #: 83 total cpu time spent up to now is 763.5 secs Computing kpt #: 84 total cpu time spent up to now is 770.8 secs Computing kpt #: 85 total cpu time spent up to now is 777.9 secs Computing kpt #: 86 total cpu time spent up to now is 784.8 secs Computing kpt #: 87 total cpu time spent up to now is 790.9 secs Computing kpt #: 88 total cpu time spent up to now is 797.5 secs Computing kpt #: 89 total cpu time spent up to now is 804.5 secs Computing kpt #: 90 total cpu time spent up to now is 809.8 secs Computing kpt #: 91 total cpu time spent up to now is 815.6 secs Computing kpt #: 92 total cpu time spent up to now is 822.3 secs Computing kpt #: 93 total cpu time spent up to now is 830.0 secs Computing kpt #: 94 total cpu time spent up to now is 836.9 secs Computing kpt #: 95 total cpu time spent up to now is 844.0 secs Computing kpt #: 96 total cpu time spent up to now is 851.6 secs Computing kpt #: 97 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 860.8 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 869.8 secs Computing kpt #: 99 total cpu time spent up to now is 878.1 secs Computing kpt #: 100 total cpu time spent up to now is 884.5 secs Computing kpt #: 101 total cpu time spent up to now is 890.4 secs Computing kpt #: 102 total cpu time spent up to now is 895.7 secs Computing kpt #: 103 total cpu time spent up to now is 901.0 secs Computing kpt #: 104 total cpu time spent up to now is 906.4 secs Computing kpt #: 105 total cpu time spent up to now is 911.7 secs Computing kpt #: 106 total cpu time spent up to now is 916.5 secs Computing kpt #: 107 total cpu time spent up to now is 921.6 secs Computing kpt #: 108 total cpu time spent up to now is 926.3 secs Computing kpt #: 109 total cpu time spent up to now is 931.3 secs Computing kpt #: 110 total cpu time spent up to now is 936.2 secs Computing kpt #: 111 total cpu time spent up to now is 941.5 secs Computing kpt #: 112 total cpu time spent up to now is 946.7 secs Computing kpt #: 113 total cpu time spent up to now is 952.0 secs Computing kpt #: 114 total cpu time spent up to now is 956.9 secs Computing kpt #: 115 total cpu time spent up to now is 961.7 secs Computing kpt #: 116 total cpu time spent up to now is 967.7 secs Computing kpt #: 117 total cpu time spent up to now is 973.4 secs Computing kpt #: 118 total cpu time spent up to now is 979.4 secs Computing kpt #: 119 total cpu time spent up to now is 985.9 secs Computing kpt #: 120 total cpu time spent up to now is 991.9 secs Computing kpt #: 121 total cpu time spent up to now is 997.9 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1006.8 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1015.7 secs Computing kpt #: 124 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1024.6 secs Computing kpt #: 125 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1033.7 secs Computing kpt #: 126 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1042.8 secs Computing kpt #: 127 total cpu time spent up to now is 1050.7 secs Computing kpt #: 128 total cpu time spent up to now is 1057.1 secs Computing kpt #: 129 total cpu time spent up to now is 1062.7 secs Computing kpt #: 130 total cpu time spent up to now is 1067.7 secs Computing kpt #: 131 total cpu time spent up to now is 1072.8 secs Computing kpt #: 132 total cpu time spent up to now is 1078.1 secs Computing kpt #: 133 total cpu time spent up to now is 1083.4 secs Computing kpt #: 134 total cpu time spent up to now is 1088.5 secs Computing kpt #: 135 total cpu time spent up to now is 1094.0 secs Computing kpt #: 136 total cpu time spent up to now is 1099.0 secs Computing kpt #: 137 total cpu time spent up to now is 1105.9 secs Computing kpt #: 138 total cpu time spent up to now is 1111.5 secs Computing kpt #: 139 total cpu time spent up to now is 1116.6 secs Computing kpt #: 140 total cpu time spent up to now is 1122.1 secs Computing kpt #: 141 total cpu time spent up to now is 1127.6 secs Computing kpt #: 142 total cpu time spent up to now is 1133.5 secs Computing kpt #: 143 total cpu time spent up to now is 1141.1 secs Computing kpt #: 144 total cpu time spent up to now is 1146.0 secs Computing kpt #: 145 total cpu time spent up to now is 1150.8 secs Computing kpt #: 146 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1160.1 secs Computing kpt #: 147 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1169.1 secs Computing kpt #: 148 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1178.2 secs Computing kpt #: 149 total cpu time spent up to now is 1186.6 secs Computing kpt #: 150 total cpu time spent up to now is 1193.3 secs Computing kpt #: 151 total cpu time spent up to now is 1200.2 secs Computing kpt #: 152 total cpu time spent up to now is 1207.6 secs Computing kpt #: 153 total cpu time spent up to now is 1214.3 secs Computing kpt #: 154 total cpu time spent up to now is 1220.8 secs Computing kpt #: 155 total cpu time spent up to now is 1227.3 secs Computing kpt #: 156 total cpu time spent up to now is 1234.8 secs Computing kpt #: 157 total cpu time spent up to now is 1243.3 secs Computing kpt #: 158 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1252.5 secs Computing kpt #: 159 total cpu time spent up to now is 1260.9 secs Computing kpt #: 160 total cpu time spent up to now is 1268.5 secs Computing kpt #: 161 total cpu time spent up to now is 1275.1 secs Computing kpt #: 162 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1284.2 secs Computing kpt #: 163 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1293.1 secs Computing kpt #: 164 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1302.0 secs Computing kpt #: 165 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1311.1 secs Computing kpt #: 166 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1320.3 secs Computing kpt #: 167 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1329.5 secs Computing kpt #: 168 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1338.6 secs Computing kpt #: 169 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1347.7 secs Computing kpt #: 170 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1356.7 secs Computing kpt #: 171 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1365.8 secs Computing kpt #: 172 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1374.9 secs Computing kpt #: 173 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1383.8 secs Computing kpt #: 174 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1392.9 secs Computing kpt #: 175 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1402.6 secs Computing kpt #: 176 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1412.2 secs Computing kpt #: 177 total cpu time spent up to now is 1420.9 secs Computing kpt #: 178 total cpu time spent up to now is 1428.3 secs Computing kpt #: 179 total cpu time spent up to now is 1436.5 secs Computing kpt #: 180 total cpu time spent up to now is 1445.2 secs Computing kpt #: 181 total cpu time spent up to now is 1452.9 secs Computing kpt #: 182 total cpu time spent up to now is 1460.1 secs Computing kpt #: 183 total cpu time spent up to now is 1467.7 secs Computing kpt #: 184 total cpu time spent up to now is 1474.5 secs Computing kpt #: 185 total cpu time spent up to now is 1481.6 secs Computing kpt #: 186 total cpu time spent up to now is 1488.7 secs Computing kpt #: 187 total cpu time spent up to now is 1495.8 secs Computing kpt #: 188 total cpu time spent up to now is 1502.5 secs Computing kpt #: 189 total cpu time spent up to now is 1509.3 secs Computing kpt #: 190 total cpu time spent up to now is 1516.2 secs Computing kpt #: 191 total cpu time spent up to now is 1523.2 secs Computing kpt #: 192 total cpu time spent up to now is 1530.6 secs Computing kpt #: 193 total cpu time spent up to now is 1539.6 secs Computing kpt #: 194 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1549.0 secs Computing kpt #: 195 total cpu time spent up to now is 1557.8 secs Computing kpt #: 196 total cpu time spent up to now is 1564.0 secs Computing kpt #: 197 total cpu time spent up to now is 1569.9 secs Computing kpt #: 198 total cpu time spent up to now is 1575.7 secs Computing kpt #: 199 total cpu time spent up to now is 1582.5 secs Computing kpt #: 200 total cpu time spent up to now is 1588.2 secs Computing kpt #: 201 total cpu time spent up to now is 1594.0 secs Computing kpt #: 202 total cpu time spent up to now is 1599.8 secs Computing kpt #: 203 total cpu time spent up to now is 1605.7 secs Computing kpt #: 204 total cpu time spent up to now is 1611.8 secs Computing kpt #: 205 total cpu time spent up to now is 1617.9 secs Computing kpt #: 206 total cpu time spent up to now is 1623.9 secs Computing kpt #: 207 total cpu time spent up to now is 1630.2 secs Computing kpt #: 208 total cpu time spent up to now is 1636.7 secs Computing kpt #: 209 total cpu time spent up to now is 1643.2 secs Computing kpt #: 210 total cpu time spent up to now is 1649.8 secs Computing kpt #: 211 total cpu time spent up to now is 1657.7 secs Computing kpt #: 212 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1666.8 secs Computing kpt #: 213 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1675.8 secs Computing kpt #: 214 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1684.9 secs Computing kpt #: 215 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1694.4 secs Computing kpt #: 216 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1704.5 secs Computing kpt #: 217 total cpu time spent up to now is 1714.5 secs Computing kpt #: 218 total cpu time spent up to now is 1722.0 secs Computing kpt #: 219 total cpu time spent up to now is 1729.5 secs Computing kpt #: 220 total cpu time spent up to now is 1737.4 secs Computing kpt #: 221 total cpu time spent up to now is 1744.2 secs Computing kpt #: 222 total cpu time spent up to now is 1750.8 secs Computing kpt #: 223 total cpu time spent up to now is 1757.4 secs Computing kpt #: 224 total cpu time spent up to now is 1764.0 secs Computing kpt #: 225 total cpu time spent up to now is 1770.3 secs Computing kpt #: 226 total cpu time spent up to now is 1776.7 secs Computing kpt #: 227 total cpu time spent up to now is 1782.3 secs Computing kpt #: 228 total cpu time spent up to now is 1788.0 secs Computing kpt #: 229 total cpu time spent up to now is 1793.8 secs Computing kpt #: 230 total cpu time spent up to now is 1799.9 secs Computing kpt #: 231 total cpu time spent up to now is 1806.1 secs Computing kpt #: 232 total cpu time spent up to now is 1811.9 secs Computing kpt #: 233 total cpu time spent up to now is 1818.7 secs Computing kpt #: 234 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1827.6 secs Computing kpt #: 235 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1836.5 secs Computing kpt #: 236 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1845.5 secs Computing kpt #: 237 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1854.8 secs Computing kpt #: 238 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1863.8 secs Computing kpt #: 239 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1872.4 secs Computing kpt #: 240 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1881.7 secs Computing kpt #: 241 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1891.1 secs Computing kpt #: 242 total cpu time spent up to now is 1898.2 secs Computing kpt #: 243 total cpu time spent up to now is 1906.2 secs Computing kpt #: 244 total cpu time spent up to now is 1913.9 secs Computing kpt #: 245 total cpu time spent up to now is 1922.5 secs Computing kpt #: 246 total cpu time spent up to now is 1931.0 secs Computing kpt #: 247 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1939.7 secs Computing kpt #: 248 total cpu time spent up to now is 1947.2 secs Computing kpt #: 249 total cpu time spent up to now is 1953.8 secs Computing kpt #: 250 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1962.6 secs Computing kpt #: 251 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1972.0 secs Computing kpt #: 252 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1981.3 secs Computing kpt #: 253 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1990.2 secs Computing kpt #: 254 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1999.1 secs Computing kpt #: 255 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2010.5 secs Computing kpt #: 256 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2019.6 secs Computing kpt #: 257 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2028.3 secs Computing kpt #: 258 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2037.2 secs Computing kpt #: 259 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2046.1 secs Computing kpt #: 260 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2055.2 secs Computing kpt #: 261 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2063.9 secs Computing kpt #: 262 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2072.8 secs Computing kpt #: 263 total cpu time spent up to now is 2077.8 secs Computing kpt #: 264 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2086.4 secs Computing kpt #: 265 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2096.2 secs Computing kpt #: 266 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2105.3 secs Computing kpt #: 267 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2114.4 secs Computing kpt #: 268 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2123.9 secs Computing kpt #: 269 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2133.8 secs Computing kpt #: 270 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2142.9 secs Computing kpt #: 271 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2151.9 secs Computing kpt #: 272 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2161.1 secs Computing kpt #: 273 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2170.5 secs Computing kpt #: 274 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2179.5 secs Computing kpt #: 275 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2188.9 secs Computing kpt #: 276 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2198.6 secs Computing kpt #: 277 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2207.6 secs Computing kpt #: 278 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2216.9 secs Computing kpt #: 279 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2226.2 secs Computing kpt #: 280 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2235.3 secs ethr = 1.92E-11, avg # of iterations = 83.7 total cpu time spent up to now is 2235.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5609 PWs) bands (ev): -5.9427 -5.9427 -3.3536 -3.3536 -3.3299 -3.3299 -3.3031 -3.3031 -1.9869 -1.9869 -1.5492 -1.5492 -1.5139 -1.5139 -1.3403 -1.3403 -1.2324 -1.2324 -0.9425 -0.9425 -0.8746 -0.8746 -0.7844 -0.7844 -0.6268 -0.6268 -0.6108 -0.6108 -0.5507 -0.5507 1.2265 1.2265 2.4278 2.4278 2.4357 2.4357 2.8347 2.8347 3.1885 3.1885 3.8871 3.8871 4.9427 4.9427 5.0079 5.0079 6.5274 6.5274 6.5823 6.5823 6.8097 6.8097 8.2074 8.2074 8.8089 8.8089 8.9093 8.9093 10.1708 10.1708 10.2446 10.2446 k = 0.0000 0.0000 0.0205 ( 5612 PWs) bands (ev): -5.9418 -5.9418 -3.3551 -3.3525 -3.3318 -3.3311 -3.3049 -3.3042 -1.9900 -1.9802 -1.5524 -1.5463 -1.5145 -1.5137 -1.3434 -1.3375 -1.2441 -1.2196 -0.9448 -0.9402 -0.8749 -0.8748 -0.7868 -0.7827 -0.6347 -0.6220 -0.6120 -0.6075 -0.5497 -0.5496 1.2250 1.2261 2.4284 2.4284 2.4366 2.4373 2.8369 2.8375 3.1891 3.1903 3.8837 3.8878 4.9378 4.9470 5.0075 5.0079 6.5207 6.5220 6.5765 6.5774 6.8055 6.8075 8.2104 8.2148 8.8149 8.8151 8.9180 8.9185 10.1702 10.1716 10.2441 10.2449 k = 0.0000 0.0000 0.0410 ( 5596 PWs) bands (ev): -5.9393 -5.9392 -3.3572 -3.3518 -3.3365 -3.3362 -3.3086 -3.3080 -1.9896 -1.9701 -1.5557 -1.5435 -1.5154 -1.5138 -1.3467 -1.3351 -1.2545 -1.2058 -0.9470 -0.9378 -0.8755 -0.8752 -0.7897 -0.7814 -0.6430 -0.6235 -0.6091 -0.6035 -0.5476 -0.5454 1.2216 1.2237 2.4277 2.4293 2.4408 2.4436 2.8439 2.8450 3.1922 3.1944 3.8779 3.8859 4.9311 4.9507 5.0067 5.0092 6.4975 6.4997 6.5654 6.5672 6.7951 6.7986 8.2235 8.2318 8.8334 8.8341 8.9439 8.9448 10.1701 10.1727 10.2434 10.2448 k = 0.0000 0.0000 0.0615 ( 5590 PWs) bands (ev): -5.9350 -5.9349 -3.3606 -3.3516 -3.3465 -3.3439 -3.3139 -3.3127 -1.9860 -1.9565 -1.5592 -1.5410 -1.5167 -1.5144 -1.3501 -1.3332 -1.2635 -1.1912 -0.9491 -0.9352 -0.8765 -0.8759 -0.7933 -0.7806 -0.6510 -0.6279 -0.6062 -0.5991 -0.5451 -0.5375 1.2162 1.2192 2.4253 2.4285 2.4507 2.4554 2.8556 2.8570 3.1973 3.2006 3.8694 3.8809 4.9218 4.9527 5.0077 5.0139 6.4528 6.4547 6.5565 6.5587 6.7785 6.7828 8.2455 8.2568 8.8648 8.8665 8.9852 8.9863 10.1706 10.1738 10.2427 10.2446 k = 0.0000 0.0000 0.0820 ( 5594 PWs) bands (ev): -5.9290 -5.9288 -3.3683 -3.3627 -3.3519 -3.3514 -3.3207 -3.3166 -1.9792 -1.9398 -1.5628 -1.5389 -1.5182 -1.5154 -1.3538 -1.3321 -1.2708 -1.1761 -0.9513 -0.9327 -0.8780 -0.8769 -0.7973 -0.7804 -0.6583 -0.6335 -0.6047 -0.5943 -0.5425 -0.5266 1.2088 1.2124 2.4221 2.4264 2.4664 2.4722 2.8718 2.8734 3.2041 3.2084 3.8581 3.8726 4.9103 4.9512 5.0133 5.0229 6.3889 6.3898 6.5499 6.5520 6.7557 6.7601 8.2744 8.2875 8.9099 8.9131 9.0389 9.0402 10.1721 10.1753 10.2423 10.2445 k = 0.0000 0.0000 0.1025 ( 5598 PWs) bands (ev): -5.9214 -5.9211 -3.3841 -3.3836 -3.3570 -3.3520 -3.3277 -3.3206 -1.9695 -1.9202 -1.5666 -1.5375 -1.5195 -1.5166 -1.3575 -1.3321 -1.2762 -1.1606 -0.9534 -0.9300 -0.8799 -0.8781 -0.8018 -0.7805 -0.6647 -0.6401 -0.6042 -0.5889 -0.5401 -0.5133 1.1992 1.2032 2.4183 2.4236 2.4877 2.4941 2.8922 2.8937 3.2117 3.2169 3.8442 3.8609 4.8986 4.9469 5.0245 5.0362 6.3099 6.3101 6.5438 6.5458 6.7268 6.7307 8.3079 8.3217 8.9693 8.9746 9.1020 9.1031 10.1751 10.1772 10.2425 10.2449 k = 0.0000 0.0000 0.1229 ( 5596 PWs) bands (ev): -5.9120 -5.9117 -3.4089 -3.4065 -3.3604 -3.3531 -3.3348 -3.3248 -1.9573 -1.8979 -1.5704 -1.5369 -1.5204 -1.5181 -1.3612 -1.3333 -1.2794 -1.1449 -0.9555 -0.9272 -0.8823 -0.8795 -0.8064 -0.7810 -0.6703 -0.6472 -0.6040 -0.5827 -0.5380 -0.4987 1.1873 1.1916 2.4143 2.4204 2.5147 2.5213 2.9165 2.9176 3.2191 3.2250 3.8282 3.8461 4.8890 4.9421 5.0404 5.0531 6.2188 6.2199 6.5373 6.5390 6.6919 6.6952 8.3441 8.3573 9.0433 9.0511 9.1707 9.1718 10.1798 10.1799 10.2436 10.2463 k = 0.0000 0.0000 0.1434 ( 5592 PWs) bands (ev): -5.9010 -5.9007 -3.4378 -3.4336 -3.3634 -3.3549 -3.3421 -3.3292 -1.9428 -1.8733 -1.5743 -1.5375 -1.5204 -1.5198 -1.3650 -1.3357 -1.2806 -1.1294 -0.9576 -0.9243 -0.8850 -0.8809 -0.8111 -0.7818 -0.6751 -0.6548 -0.6039 -0.5756 -0.5363 -0.4833 1.1732 1.1774 2.4104 2.4172 2.5476 2.5537 2.9444 2.9450 3.2245 3.2308 3.8115 3.8296 4.8835 4.9394 5.0595 5.0729 6.1197 6.1215 6.5299 6.5313 6.6515 6.6542 8.3813 8.3930 9.1312 9.1416 9.2417 9.2430 10.1838 10.1872 10.2462 10.2491 k = 0.0000 0.0000 0.1639 ( 5588 PWs) bands (ev): -5.8883 -5.8880 -3.4700 -3.4646 -3.3665 -3.3577 -3.3495 -3.3336 -1.9263 -1.8469 -1.5782 -1.5393 -1.5216 -1.5196 -1.3688 -1.3392 -1.2800 -1.1141 -0.9597 -0.9213 -0.8881 -0.8824 -0.8157 -0.7830 -0.6793 -0.6627 -0.6038 -0.5675 -0.5348 -0.4676 1.1568 1.1606 2.4070 2.4143 2.5864 2.5915 2.9754 2.9757 3.2255 3.2320 3.7963 3.8135 4.8836 4.9407 5.0803 5.0943 6.0155 6.0178 6.5212 6.5219 6.6063 6.6088 8.4187 8.4283 9.2315 9.2443 9.3118 9.3134 10.1896 10.1974 10.2511 10.2541 k = 0.0000 0.0000 0.1844 ( 5594 PWs) bands (ev): -5.8741 -5.8737 -3.5050 -3.4988 -3.3703 -3.3617 -3.3568 -3.3377 -1.9082 -1.8189 -1.5822 -1.5419 -1.5235 -1.5181 -1.3726 -1.3434 -1.2778 -1.0994 -0.9617 -0.9184 -0.8914 -0.8839 -0.8202 -0.7845 -0.6832 -0.6705 -0.6035 -0.5584 -0.5338 -0.4521 1.1381 1.1414 2.4042 2.4119 2.6306 2.6344 3.0086 3.0101 3.2193 3.2257 3.7858 3.8010 4.8899 4.9470 5.1012 5.1158 5.9095 5.9117 6.5082 6.5097 6.5582 6.5620 8.4558 8.4632 9.3418 9.3563 9.3780 9.3804 10.1980 10.2111 10.2593 10.2621 k = 0.0000 0.0000 0.2049 ( 5584 PWs) bands (ev): -5.8582 -5.8578 -3.5424 -3.5357 -3.3754 -3.3670 -3.3631 -3.3415 -1.8885 -1.7899 -1.5859 -1.5451 -1.5254 -1.5162 -1.3763 -1.3481 -1.2744 -1.0855 -0.9636 -0.9155 -0.8946 -0.8854 -0.8244 -0.7861 -0.6868 -0.6782 -0.6031 -0.5484 -0.5327 -0.4368 1.1173 1.1198 2.4025 2.4104 2.6800 2.6820 3.0447 3.0475 3.2031 3.2090 3.7834 3.7961 4.9028 4.9588 5.1195 5.1349 5.8052 5.8069 6.4791 6.4848 6.5185 6.5256 8.4928 8.4978 9.4378 9.4410 9.4592 9.4743 10.2104 10.2291 10.2721 10.2742 k = 0.0000 0.0000 0.2254 ( 5576 PWs) bands (ev): -5.8408 -5.8404 -3.5818 -3.5748 -3.3823 -3.3737 -3.3681 -3.3449 -1.8677 -1.7603 -1.5895 -1.5485 -1.5274 -1.5139 -1.3799 -1.3530 -1.2698 -1.0726 -0.9653 -0.9132 -0.8972 -0.8867 -0.8282 -0.7881 -0.6903 -0.6856 -0.6027 -0.5397 -0.5296 -0.4221 1.0944 1.0961 2.4020 2.4100 2.7338 2.7340 3.0836 3.0880 3.1747 3.1802 3.7918 3.8017 4.9217 4.9759 5.1310 5.1475 5.7078 5.7086 6.4278 6.4336 6.5005 6.5069 8.5300 8.5325 9.4899 9.4948 9.5773 9.5923 10.2286 10.2533 10.2907 10.2916 k = 0.0000 0.0000 0.2459 ( 5578 PWs) bands (ev): -5.8218 -5.8214 -3.6230 -3.6159 -3.3907 -3.3814 -3.3720 -3.3480 -1.8460 -1.7305 -1.5930 -1.5523 -1.5293 -1.5114 -1.3834 -1.3580 -1.2642 -1.0609 -0.9670 -0.9125 -0.8982 -0.8880 -0.8317 -0.7903 -0.6938 -0.6925 -0.6023 -0.5374 -0.5193 -0.4081 1.0698 1.0704 2.4030 2.4110 2.7890 2.7916 3.1243 3.1317 3.1339 3.1402 3.8123 3.8194 4.9460 4.9981 5.1284 5.1461 5.6249 5.6252 6.3675 6.3733 6.4879 6.4934 8.5675 8.5677 9.5332 9.5397 9.6903 9.7036 10.2556 10.2874 10.3157 10.3162 k = 0.0000 0.0000 0.2664 ( 5590 PWs) bands (ev): -5.8014 -5.8010 -3.6655 -3.6586 -3.3999 -3.3900 -3.3754 -3.3512 -1.8236 -1.7012 -1.5963 -1.5561 -1.5312 -1.5086 -1.3867 -1.3631 -1.2574 -1.0505 -0.9685 -0.9140 -0.8969 -0.8893 -0.8348 -0.7928 -0.6990 -0.6974 -0.6021 -0.5384 -0.5050 -0.3947 1.0431 1.0436 2.4057 2.4136 2.8466 2.8517 3.0819 3.0865 3.1713 3.1789 3.8444 3.8493 4.9745 5.0245 5.1026 5.1213 5.5662 5.5673 6.3035 6.3097 6.4756 6.4808 8.6038 8.6058 9.5676 9.5756 9.7885 9.7990 10.2925 10.3306 10.3531 10.3533 k = 0.0000 0.0000 0.2869 ( 5586 PWs) bands (ev): -5.7795 -5.7791 -3.7092 -3.7025 -3.4094 -3.3991 -3.3786 -3.3543 -1.8006 -1.6730 -1.5992 -1.5598 -1.5329 -1.5054 -1.3896 -1.3681 -1.2494 -1.0414 -0.9696 -0.9169 -0.8939 -0.8903 -0.8375 -0.7954 -0.7048 -0.7010 -0.6021 -0.5405 -0.4887 -0.3821 1.0143 1.0160 2.4104 2.4181 2.9053 2.9127 3.0212 3.0261 3.2203 3.2299 3.8871 3.8902 5.0033 5.0452 5.0575 5.0700 5.5386 5.5397 6.2377 6.2443 6.4631 6.4681 8.6409 8.6450 9.5938 9.6028 9.8632 9.8706 10.3319 10.3659 10.4144 10.4244 k = 0.0000 0.0000 0.3074 ( 5590 PWs) bands (ev): -5.7562 -5.7558 -3.7539 -3.7476 -3.4192 -3.4087 -3.3818 -3.3576 -1.7774 -1.6467 -1.6018 -1.5632 -1.5346 -1.5018 -1.3922 -1.3729 -1.2398 -1.0337 -0.9705 -0.9202 -0.8913 -0.8902 -0.8398 -0.7982 -0.7101 -0.7048 -0.6023 -0.5436 -0.4708 -0.3701 0.9844 0.9872 2.4170 2.4244 2.9535 2.9583 2.9644 2.9742 3.2740 3.2853 3.9389 3.9407 4.9687 4.9758 5.0532 5.0883 5.5374 5.5380 6.1715 6.1783 6.4502 6.4551 8.6793 8.6853 9.6128 9.6224 9.9117 9.9166 10.3665 10.3966 10.5052 10.5217 k = 0.0000 0.0000 0.3278 ( 5590 PWs) bands (ev): -5.7315 -5.7312 -3.7993 -3.7934 -3.4290 -3.4185 -3.3851 -3.3612 -1.7542 -1.6235 -1.6040 -1.5658 -1.5361 -1.4975 -1.3944 -1.3777 -1.2285 -1.0275 -0.9710 -0.9235 -0.8921 -0.8860 -0.8418 -0.8012 -0.7149 -0.7087 -0.6029 -0.5477 -0.4514 -0.3586 0.9535 0.9575 2.4256 2.4329 2.8831 2.8884 3.0202 3.0313 3.3328 3.3452 3.9987 3.9996 4.8757 4.8845 5.0875 5.1233 5.5520 5.5524 6.1065 6.1134 6.4370 6.4419 8.7190 8.7269 9.6256 9.6353 9.9383 9.9418 10.3971 10.4247 10.6140 10.6323 k = 0.0000 0.0000 0.3483 ( 5584 PWs) bands (ev): -5.7056 -5.7052 -3.8452 -3.8399 -3.4387 -3.4285 -3.3884 -3.3650 -1.7312 -1.6057 -1.6053 -1.5661 -1.5373 -1.4926 -1.3962 -1.3822 -1.2152 -1.0228 -0.9712 -0.9264 -0.8926 -0.8815 -0.8434 -0.8042 -0.7191 -0.7128 -0.6039 -0.5526 -0.4308 -0.3476 0.9219 0.9270 2.4363 2.4435 2.8103 2.8156 3.0733 3.0850 3.3969 3.4097 4.0654 4.0657 4.7765 4.7841 5.1262 5.1595 5.5730 5.5739 6.0453 6.0518 6.4238 6.4285 8.7602 8.7699 9.6333 9.6428 9.9495 9.9522 10.4239 10.4491 10.7254 10.7429 k = 0.0000 0.0000 0.3688 ( 5580 PWs) bands (ev): -5.6783 -5.6780 -3.8915 -3.8868 -3.4482 -3.4384 -3.3918 -3.3690 -1.7086 -1.6069 -1.5953 -1.5615 -1.5384 -1.4869 -1.3973 -1.3866 -1.1997 -1.0194 -0.9708 -0.9290 -0.8931 -0.8770 -0.8447 -0.8073 -0.7228 -0.7170 -0.6054 -0.5583 -0.4088 -0.3367 0.8898 0.8960 2.4487 2.4561 2.7374 2.7424 3.1217 3.1332 3.4656 3.4779 4.1380 4.1382 4.6768 4.6830 5.1660 5.1961 5.5928 5.5954 5.9914 5.9968 6.4106 6.4152 8.8029 8.8142 9.6369 9.6456 9.9502 9.9525 10.4465 10.4688 10.8246 10.8401 k = 0.0000 0.0000 0.3893 ( 5584 PWs) bands (ev): -5.6498 -5.6496 -3.9381 -3.9339 -3.4575 -3.4483 -3.3953 -3.3733 -1.6869 -1.6077 -1.5932 -1.5524 -1.5393 -1.4808 -1.3979 -1.3908 -1.1821 -1.0174 -0.9700 -0.9311 -0.8935 -0.8725 -0.8457 -0.8105 -0.7261 -0.7214 -0.6076 -0.5650 -0.3857 -0.3257 0.8574 0.8646 2.4620 2.4703 2.6667 2.6706 3.1644 3.1747 3.5372 3.5482 4.2160 4.2165 4.5814 4.5861 5.2057 5.2324 5.6037 5.6094 5.9510 5.9542 6.3977 6.4021 8.8470 8.8599 9.6369 9.6447 9.9434 9.9454 10.4642 10.4831 10.8965 10.9003 k = 0.0000 0.0000 0.4098 ( 5594 PWs) bands (ev): -5.6202 -5.6200 -3.9848 -3.9813 -3.4664 -3.4579 -3.3989 -3.3780 -1.6663 -1.6080 -1.5949 -1.5429 -1.5399 -1.4744 -1.3978 -1.3949 -1.1624 -1.0166 -0.9687 -0.9328 -0.8938 -0.8680 -0.8463 -0.8136 -0.7291 -0.7259 -0.6104 -0.5725 -0.3616 -0.3145 0.8247 0.8329 2.4726 2.4841 2.6027 2.6031 3.2003 3.2088 3.6085 3.6175 4.2987 4.2996 4.4949 4.4982 5.2444 5.2675 5.5983 5.6080 5.9305 5.9309 6.3855 6.3896 8.8925 8.9069 9.6339 9.6405 9.9305 9.9323 10.4764 10.4919 10.8936 10.9045 k = 0.0000 0.0000 0.4303 ( 5580 PWs) bands (ev): -5.5895 -5.5894 -4.0316 -4.0287 -3.4748 -3.4672 -3.4027 -3.3829 -1.6472 -1.6075 -1.5977 -1.5400 -1.5346 -1.4685 -1.3988 -1.3968 -1.1409 -1.0166 -0.9667 -0.9339 -0.8938 -0.8634 -0.8465 -0.8167 -0.7317 -0.7305 -0.6138 -0.5806 -0.3364 -0.3025 0.7920 0.8011 2.4661 2.4845 2.5539 2.5607 3.2280 3.2342 3.6751 3.6812 4.3853 4.3863 4.4234 4.4258 5.2815 5.3007 5.5740 5.5875 5.9303 5.9323 6.3742 6.3780 8.9393 8.9551 9.6282 9.6334 9.9123 9.9138 10.4832 10.4956 10.8863 10.8941 k = 0.0000 0.0000 0.4508 ( 5588 PWs) bands (ev): -5.5577 -5.5577 -4.0783 -4.0760 -3.4827 -3.4761 -3.4066 -3.3881 -1.6303 -1.6063 -1.6008 -1.5397 -1.5278 -1.4636 -1.4027 -1.3950 -1.1183 -1.0175 -0.9641 -0.9347 -0.8938 -0.8592 -0.8462 -0.8197 -0.7353 -0.7340 -0.6179 -0.5895 -0.3105 -0.2897 0.7593 0.7692 2.4250 2.4428 2.5526 2.5589 3.2458 3.2494 3.7306 3.7329 4.3720 4.3749 4.4767 4.4787 5.3163 5.3314 5.5358 5.5522 5.9485 5.9518 6.3641 6.3676 8.9872 9.0043 9.6199 9.6235 9.8887 9.8900 10.4848 10.4943 10.8709 10.8747 k = 0.0000 0.0000 0.4713 ( 5580 PWs) bands (ev): -5.5251 -5.5250 -4.1249 -4.1232 -3.4901 -3.4844 -3.4107 -3.3936 -1.6170 -1.6039 -1.6031 -1.5386 -1.5222 -1.4599 -1.4065 -1.3924 -1.0952 -1.0188 -0.9605 -0.9352 -0.8937 -0.8554 -0.8452 -0.8227 -0.7401 -0.7361 -0.6225 -0.5988 -0.2837 -0.2758 0.7268 0.7374 2.3696 2.3852 2.5734 2.5779 3.2513 3.2524 3.7660 3.7686 4.3514 4.3558 4.5700 4.5728 5.3483 5.3588 5.4911 5.5098 5.9785 5.9820 6.3557 6.3589 9.0361 9.0544 9.6086 9.6106 9.8594 9.8605 10.4815 10.4883 10.8446 10.8449 k = 0.0000 0.0000 0.4918 ( 5584 PWs) bands (ev): -5.4915 -5.4913 -4.1713 -4.1702 -3.4967 -3.4922 -3.4150 -3.3994 -1.6097 -1.6067 -1.5959 -1.5367 -1.5174 -1.4577 -1.4104 -1.3890 -1.0724 -1.0204 -0.9561 -0.9357 -0.8935 -0.8525 -0.8431 -0.8255 -0.7450 -0.7381 -0.6276 -0.6086 -0.2604 -0.2563 0.6946 0.7057 2.3138 2.3283 2.6003 2.6040 3.2410 3.2420 3.7788 3.7864 4.3637 4.3703 4.6654 4.6695 5.3772 5.3825 5.4460 5.4669 6.0147 6.0180 6.3493 6.3520 9.0856 9.1051 9.5942 9.5943 9.8238 9.8246 10.4731 10.4773 10.8039 10.8074 k = 0.0000 0.0000 0.5123 ( 5578 PWs) bands (ev): -5.4571 -5.4568 -4.2174 -4.2169 -3.5027 -3.4993 -3.4194 -3.4054 -1.6092 -1.6063 -1.5872 -1.5336 -1.5132 -1.4568 -1.4144 -1.3850 -1.0509 -1.0220 -0.9505 -0.9360 -0.8930 -0.8505 -0.8399 -0.8281 -0.7500 -0.7400 -0.6331 -0.6186 -0.2432 -0.2283 0.6626 0.6741 2.2610 2.2751 2.6308 2.6343 3.2139 3.2162 3.7771 3.7885 4.4039 4.4128 4.7616 4.7677 5.4012 5.4028 5.4049 5.4292 6.0539 6.0566 6.3450 6.3474 9.1354 9.1560 9.5741 9.5759 9.7810 9.7816 10.4591 10.4603 10.7559 10.7605 k = 0.0000 0.0000 0.5328 ( 5578 PWs) bands (ev): -5.4219 -5.4215 -4.2633 -4.2633 -3.5079 -3.5056 -3.4240 -3.4117 -1.6112 -1.6037 -1.5800 -1.5293 -1.5094 -1.4572 -1.4186 -1.3807 -1.0314 -1.0234 -0.9435 -0.9365 -0.8923 -0.8490 -0.8360 -0.8306 -0.7550 -0.7417 -0.6389 -0.6288 -0.2243 -0.1997 0.6309 0.6427 2.2127 2.2267 2.6643 2.6677 3.1715 3.1739 3.7691 3.7827 4.4618 4.4726 4.8572 4.8662 5.3715 5.3929 5.4226 5.4259 6.0941 6.0961 6.3432 6.3451 9.1850 9.2066 9.5490 9.5529 9.7305 9.7308 10.4356 10.4380 10.7055 10.7091 k = 0.0000 0.0000 0.5532 ( 5572 PWs) bands (ev): -5.3860 -5.3854 -4.3094 -4.3089 -3.5123 -3.5112 -3.4288 -3.4183 -1.6126 -1.6011 -1.5750 -1.5240 -1.5059 -1.4588 -1.4229 -1.3764 -1.0245 -1.0147 -0.9371 -0.9353 -0.8911 -0.8478 -0.8329 -0.8318 -0.7599 -0.7434 -0.6448 -0.6391 -0.2033 -0.1706 0.5996 0.6114 2.1696 2.1837 2.7004 2.7039 3.1158 3.1174 3.7598 3.7741 4.5273 4.5396 4.9498 4.9631 5.3495 5.3738 5.4356 5.4474 6.1341 6.1351 6.3437 6.3454 9.2334 9.2562 9.5180 9.5241 9.6722 9.6722 10.4010 10.4076 10.6590 10.6596 k = 0.0000 0.0000 0.5737 ( 5580 PWs) bands (ev): -5.3495 -5.3487 -4.3552 -4.3542 -3.5159 -3.5159 -3.4338 -3.4250 -1.6134 -1.5985 -1.5716 -1.5180 -1.5026 -1.4617 -1.4272 -1.3725 -1.0250 -1.0011 -0.9381 -0.9266 -0.8891 -0.8466 -0.8351 -0.8275 -0.7647 -0.7450 -0.6507 -0.6493 -0.1802 -0.1412 0.5687 0.5803 2.1322 2.1465 2.7389 2.7425 3.0499 3.0501 3.7503 3.7642 4.5927 4.6060 5.0362 5.0553 5.3425 5.3682 5.4494 5.4700 6.1729 6.1730 6.3464 6.3479 9.2787 9.3029 9.4800 9.4884 9.6075 9.6076 10.3561 10.3667 10.6181 10.6212 k = 0.0000 0.0000 0.5942 ( 5576 PWs) bands (ev): -5.3123 -5.3114 -4.4005 -4.3991 -3.5198 -3.5187 -3.4390 -3.4319 -1.6134 -1.5958 -1.5695 -1.5114 -1.4996 -1.4657 -1.4315 -1.3694 -1.0249 -0.9901 -0.9393 -0.9186 -0.8855 -0.8454 -0.8371 -0.8233 -0.7691 -0.7463 -0.6592 -0.6565 -0.1551 -0.1114 0.5381 0.5494 2.1008 2.1155 2.7798 2.7833 2.9755 2.9773 3.7396 3.7524 4.6526 4.6662 5.1112 5.1376 5.3536 5.3797 5.4679 5.4980 6.2090 6.2100 6.3511 6.3526 9.3155 9.3416 9.4340 9.4448 9.5420 9.5428 10.3033 10.3170 10.5869 10.5934 k = 0.0000 0.0000 0.6147 ( 5572 PWs) bands (ev): -5.2746 -5.2734 -4.4455 -4.4437 -3.5228 -3.5206 -3.4443 -3.4390 -1.6127 -1.5932 -1.5682 -1.5045 -1.4968 -1.4708 -1.4355 -1.3672 -1.0240 -0.9811 -0.9410 -0.9130 -0.8799 -0.8440 -0.8388 -0.8195 -0.7730 -0.7471 -0.6689 -0.6621 -0.1279 -0.0815 0.5079 0.5185 2.0757 2.0909 2.8225 2.8259 2.8972 2.9011 3.7260 3.7374 4.7041 4.7169 5.1687 5.2013 5.3845 5.4095 5.4988 5.5368 6.2428 6.2449 6.3573 6.3589 9.3258 9.3512 9.3799 9.3925 9.4969 9.4975 10.2475 10.2629 10.5651 10.5741 k = 0.0000 0.0000 0.6352 ( 5560 PWs) bands (ev): -5.2363 -5.2350 -4.4901 -4.4880 -3.5249 -3.5217 -3.4498 -3.4461 -1.6113 -1.5906 -1.5675 -1.4973 -1.4944 -1.4766 -1.4391 -1.3664 -1.0224 -0.9735 -0.9431 -0.9099 -0.8729 -0.8425 -0.8404 -0.8162 -0.7760 -0.7473 -0.6781 -0.6675 -0.0990 -0.0513 0.4781 0.4877 2.0572 2.0730 2.8142 2.8202 2.8701 2.8733 3.7081 3.7181 4.7468 4.7578 5.2043 5.2387 5.4341 5.4569 5.5488 5.5897 6.2740 6.2772 6.3646 6.3664 9.2844 9.3029 9.3178 9.3316 9.4975 9.5050 10.1927 10.2090 10.5505 10.5612 k = 0.0000 0.0000 0.6557 ( 5576 PWs) bands (ev): -5.1977 -5.1961 -4.5343 -4.5319 -3.5261 -3.5220 -3.4554 -3.4533 -1.6091 -1.5881 -1.5672 -1.4935 -1.4899 -1.4821 -1.4427 -1.3671 -1.0201 -0.9670 -0.9458 -0.9089 -0.8659 -0.8417 -0.8410 -0.8140 -0.7778 -0.7470 -0.6872 -0.6728 -0.0684 -0.0211 0.4485 0.4568 2.0455 2.0619 2.7341 2.7424 2.9163 2.9196 3.6851 3.6936 4.7826 4.7913 5.2191 5.2507 5.4987 5.5186 5.6156 5.6547 6.3021 6.3065 6.3722 6.3743 9.2101 9.2248 9.2477 9.2631 9.5283 9.5400 10.1418 10.1582 10.5412 10.5534 k = 0.0000 0.0000 0.6762 ( 5568 PWs) bands (ev): -5.1586 -5.1568 -4.5781 -4.5755 -3.5264 -3.5215 -3.4611 -3.4605 -1.6059 -1.5857 -1.5672 -1.4971 -1.4838 -1.4820 -1.4459 -1.3693 -1.0169 -0.9609 -0.9489 -0.9089 -0.8598 -0.8428 -0.8394 -0.8129 -0.7779 -0.7455 -0.6958 -0.6779 -0.0365 0.0092 0.4192 0.4259 2.0407 2.0578 2.6546 2.6650 2.9652 2.9683 3.6565 3.6636 4.8143 4.8204 5.2180 5.2450 5.5731 5.5896 5.6909 5.7260 6.3270 6.3324 6.3798 6.3821 9.1271 9.1399 9.1729 9.1893 9.5679 9.5813 10.0954 10.1117 10.5362 10.5496 k = 0.0000 0.0000 0.6967 ( 5580 PWs) bands (ev): -5.1191 -5.1171 -4.6216 -4.6188 -3.5258 -3.5203 -3.4677 -3.4668 -1.6018 -1.5834 -1.5675 -1.5049 -1.4823 -1.4738 -1.4491 -1.3730 -1.0132 -0.9554 -0.9526 -0.9099 -0.8552 -0.8437 -0.8378 -0.8132 -0.7762 -0.7431 -0.7040 -0.6830 -0.0036 0.0394 0.3902 0.3948 2.0428 2.0606 2.5773 2.5897 3.0158 3.0186 3.6226 3.6283 4.8444 4.8480 5.2058 5.2284 5.6521 5.6651 5.7668 5.7976 6.3485 6.3548 6.3868 6.3892 9.0451 9.0564 9.0965 9.1132 9.6096 9.6237 10.0535 10.0695 10.5348 10.5495 k = 0.0000 0.0000 0.7172 ( 5586 PWs) bands (ev): -5.0792 -5.0771 -4.6647 -4.6618 -3.5244 -3.5183 -3.4748 -3.4726 -1.5970 -1.5814 -1.5680 -1.5139 -1.4799 -1.4652 -1.4521 -1.3781 -1.0089 -0.9567 -0.9501 -0.9114 -0.8520 -0.8443 -0.8360 -0.8146 -0.7731 -0.7398 -0.7119 -0.6881 0.0301 0.0694 0.3612 0.3634 2.0520 2.0705 2.5032 2.5173 3.0678 3.0703 3.5836 3.5882 4.8745 4.8759 5.1860 5.2049 5.7314 5.7405 5.8377 5.8643 6.3663 6.3733 6.3929 6.3952 8.9694 8.9791 9.0218 9.0381 9.6512 9.6655 10.0150 10.0306 10.5367 10.5526 k = 0.0000 0.0000 0.7377 ( 5586 PWs) bands (ev): -5.0391 -5.0368 -4.7075 -4.7045 -3.5221 -3.5157 -3.4816 -3.4783 -1.5913 -1.5794 -1.5687 -1.5234 -1.4772 -1.4561 -1.4550 -1.3844 -1.0041 -0.9613 -0.9450 -0.9136 -0.8500 -0.8448 -0.8342 -0.8166 -0.7688 -0.7356 -0.7194 -0.6932 0.0642 0.0994 0.3318 0.3324 2.0683 2.0873 2.4330 2.4486 3.1210 3.1231 3.5404 3.5438 4.9050 4.9056 5.1609 5.1767 5.8067 5.8120 5.8993 5.9221 6.3804 6.3878 6.3981 6.3997 8.9041 8.9116 8.9525 8.9676 9.6918 9.7061 9.9790 9.9942 10.5416 10.5588 k = 0.0000 0.0000 0.7582 ( 5592 PWs) bands (ev): -4.9986 -4.9962 -4.7499 -4.7470 -3.5191 -3.5125 -3.4883 -3.4840 -1.5848 -1.5776 -1.5696 -1.5330 -1.4745 -1.4578 -1.4468 -1.3918 -0.9990 -0.9662 -0.9401 -0.9163 -0.8488 -0.8453 -0.8322 -0.8188 -0.7639 -0.7308 -0.7266 -0.6984 0.0986 0.1291 0.2997 0.3037 2.0916 2.1109 2.3673 2.3842 3.1751 3.1768 3.4936 3.4960 4.9356 4.9381 5.1322 5.1454 5.8746 5.8759 5.9480 5.9673 6.3909 6.3979 6.4025 6.4027 8.8522 8.8572 8.8921 8.9054 9.7313 9.7455 9.9445 9.9592 10.5493 10.5677 k = 0.0000 0.0000 0.7786 ( 5588 PWs) bands (ev): -4.9579 -4.9553 -4.7921 -4.7891 -3.5154 -3.5087 -3.4946 -3.4895 -1.5775 -1.5759 -1.5706 -1.5426 -1.4718 -1.4606 -1.4372 -1.4000 -0.9936 -0.9714 -0.9354 -0.9194 -0.8480 -0.8457 -0.8302 -0.8212 -0.7585 -0.7335 -0.7256 -0.7037 0.1329 0.1586 0.2672 0.2749 2.1217 2.1412 2.3065 2.3245 3.2298 3.2309 3.4439 3.4455 4.9677 4.9718 5.1009 5.1119 5.9290 5.9315 5.9808 5.9968 6.3979 6.4038 6.4044 6.4064 8.8165 8.8185 8.8438 8.8547 9.7694 9.7835 9.9105 9.9249 10.5595 10.5791 k = 0.0000 0.0000 0.7991 ( 5580 PWs) bands (ev): -4.9168 -4.9141 -4.8339 -4.8310 -3.5110 -3.5044 -3.5005 -3.4947 -1.5744 -1.5717 -1.5695 -1.5519 -1.4690 -1.4634 -1.4276 -1.4088 -0.9880 -0.9768 -0.9309 -0.9229 -0.8473 -0.8462 -0.8280 -0.8235 -0.7527 -0.7401 -0.7201 -0.7091 0.1671 0.1880 0.2343 0.2461 2.1585 2.1780 2.2512 2.2700 3.2846 3.2852 3.3922 3.3930 5.0008 5.0066 5.0681 5.0772 5.9683 5.9744 5.9954 6.0082 6.4022 6.4050 6.4070 6.4088 8.7974 8.7986 8.8107 8.8186 9.8062 9.8202 9.8764 9.8906 10.5718 10.5931 k = 0.0000 0.0000 0.8196 ( 5572 PWs) bands (ev): -4.8755 -4.8755 -4.8727 -4.8727 -3.5060 -3.5060 -3.4998 -3.4998 -1.5729 -1.5729 -1.5609 -1.5609 -1.4662 -1.4662 -1.4180 -1.4180 -0.9824 -0.9824 -0.9267 -0.9267 -0.8468 -0.8468 -0.8258 -0.8258 -0.7465 -0.7465 -0.7146 -0.7146 0.2009 0.2009 0.2171 0.2171 2.2018 2.2018 2.2211 2.2211 3.3391 3.3391 3.3392 3.3392 5.0345 5.0345 5.0419 5.0419 5.9910 5.9910 6.0006 6.0006 6.4043 6.4043 6.4088 6.4088 8.7948 8.7948 8.7995 8.7995 9.8418 9.8418 9.8559 9.8559 10.5862 10.5862 k = 0.0000 0.0000 0.8196 ( 5572 PWs) bands (ev): -4.8755 -4.8755 -4.8727 -4.8727 -3.5060 -3.5060 -3.4998 -3.4998 -1.5729 -1.5729 -1.5609 -1.5609 -1.4662 -1.4662 -1.4180 -1.4180 -0.9824 -0.9824 -0.9267 -0.9267 -0.8468 -0.8468 -0.8258 -0.8258 -0.7465 -0.7465 -0.7146 -0.7146 0.2009 0.2009 0.2171 0.2171 2.2018 2.2018 2.2211 2.2211 3.3391 3.3391 3.3392 3.3392 5.0345 5.0345 5.0419 5.0419 5.9910 5.9910 6.0006 6.0006 6.4043 6.4043 6.4088 6.4088 8.7948 8.7948 8.7995 8.7995 9.8418 9.8418 9.8559 9.8559 10.5862 10.5862 k =-0.0123 0.0160 0.8196 ( 5574 PWs) bands (ev): -4.8756 -4.8756 -4.8728 -4.8728 -3.5062 -3.5062 -3.4999 -3.4999 -1.5734 -1.5734 -1.5606 -1.5606 -1.4678 -1.4678 -1.4172 -1.4172 -0.9831 -0.9831 -0.9264 -0.9264 -0.8487 -0.8487 -0.8240 -0.8240 -0.7478 -0.7478 -0.7139 -0.7139 0.2037 0.2037 0.2201 0.2201 2.2021 2.2021 2.2213 2.2213 3.3389 3.3389 3.3396 3.3396 5.0312 5.0312 5.0385 5.0385 5.9901 5.9901 5.9997 5.9997 6.4018 6.4018 6.4076 6.4076 8.7964 8.7964 8.8013 8.8013 9.8470 9.8470 9.8612 9.8612 10.5855 10.5855 k =-0.0247 0.0321 0.8196 ( 5578 PWs) bands (ev): -4.8758 -4.8758 -4.8730 -4.8730 -3.5069 -3.5069 -3.5003 -3.5003 -1.5748 -1.5748 -1.5596 -1.5596 -1.4723 -1.4723 -1.4151 -1.4151 -0.9854 -0.9854 -0.9256 -0.9256 -0.8530 -0.8530 -0.8198 -0.8198 -0.7511 -0.7511 -0.7121 -0.7121 0.2122 0.2122 0.2292 0.2292 2.2030 2.2030 2.2221 2.2221 3.3387 3.3387 3.3401 3.3401 5.0213 5.0213 5.0283 5.0283 5.9874 5.9874 5.9970 5.9970 6.3948 6.3948 6.4035 6.4035 8.8012 8.8012 8.8068 8.8068 9.8625 9.8625 9.8767 9.8767 10.5832 10.5832 k =-0.0370 0.0481 0.8196 ( 5582 PWs) bands (ev): -4.8761 -4.8761 -4.8733 -4.8733 -3.5079 -3.5079 -3.5009 -3.5009 -1.5767 -1.5767 -1.5584 -1.5584 -1.4787 -1.4787 -1.4125 -1.4125 -0.9889 -0.9889 -0.9245 -0.9245 -0.8582 -0.8582 -0.8149 -0.8149 -0.7558 -0.7558 -0.7100 -0.7100 0.2262 0.2262 0.2439 0.2439 2.2045 2.2045 2.2235 2.2235 3.3387 3.3387 3.3407 3.3407 5.0051 5.0051 5.0116 5.0116 5.9828 5.9828 5.9926 5.9926 6.3841 6.3841 6.3958 6.3958 8.8096 8.8096 8.8159 8.8159 9.8871 9.8871 9.9013 9.9013 10.5790 10.5790 k =-0.0494 0.0642 0.8196 ( 5584 PWs) bands (ev): -4.8766 -4.8766 -4.8738 -4.8738 -3.5091 -3.5091 -3.5017 -3.5017 -1.5790 -1.5790 -1.5570 -1.5570 -1.4864 -1.4864 -1.4101 -1.4101 -0.9934 -0.9934 -0.9230 -0.9230 -0.8633 -0.8633 -0.8101 -0.8101 -0.7611 -0.7611 -0.7080 -0.7080 0.2454 0.2454 0.2639 0.2639 2.2066 2.2066 2.2254 2.2254 3.3387 3.3387 3.3414 3.3414 4.9831 4.9831 4.9890 4.9890 5.9766 5.9766 5.9865 5.9865 6.3700 6.3700 6.3847 6.3847 8.8216 8.8216 8.8288 8.8288 9.9195 9.9195 9.9334 9.9334 10.5721 10.5721 k =-0.0617 0.0802 0.8196 ( 5586 PWs) bands (ev): -4.8773 -4.8773 -4.8745 -4.8745 -3.5106 -3.5106 -3.5027 -3.5027 -1.5816 -1.5816 -1.5556 -1.5556 -1.4946 -1.4946 -1.4084 -1.4084 -0.9984 -0.9984 -0.9216 -0.9216 -0.8681 -0.8681 -0.8059 -0.8059 -0.7663 -0.7663 -0.7065 -0.7065 0.2696 0.2696 0.2886 0.2886 2.2094 2.2094 2.2279 2.2279 3.3388 3.3388 3.3421 3.3421 4.9558 4.9558 4.9609 4.9609 5.9687 5.9687 5.9789 5.9789 6.3529 6.3529 6.3704 6.3704 8.8375 8.8375 8.8455 8.8455 9.9573 9.9573 9.9704 9.9704 10.5620 10.5620 k =-0.0741 0.0962 0.8196 ( 5574 PWs) bands (ev): -4.8782 -4.8782 -4.8754 -4.8754 -3.5121 -3.5121 -3.5039 -3.5039 -1.5843 -1.5843 -1.5544 -1.5544 -1.5028 -1.5028 -1.4076 -1.4076 -1.0036 -1.0036 -0.9201 -0.9201 -0.8723 -0.8723 -0.8026 -0.8026 -0.7709 -0.7709 -0.7055 -0.7055 0.2981 0.2981 0.3175 0.3175 2.2129 2.2129 2.2310 2.2310 3.3389 3.3389 3.3428 3.3428 4.9239 4.9239 4.9280 4.9280 5.9593 5.9593 5.9699 5.9699 6.3332 6.3332 6.3531 6.3531 8.8571 8.8571 8.8659 8.8659 9.9981 9.9981 10.0098 10.0098 10.5483 10.5483 k =-0.0864 0.1123 0.8196 ( 5574 PWs) bands (ev): -4.8793 -4.8793 -4.8766 -4.8766 -3.5137 -3.5137 -3.5051 -3.5051 -1.5874 -1.5874 -1.5535 -1.5535 -1.5109 -1.5109 -1.4078 -1.4078 -1.0089 -1.0089 -0.9189 -0.9189 -0.8758 -0.8758 -0.8010 -0.8010 -0.7742 -0.7742 -0.7051 -0.7051 0.3304 0.3304 0.3500 0.3500 2.2171 2.2171 2.2348 2.2348 3.3390 3.3390 3.3435 3.3435 4.8881 4.8881 4.8914 4.8914 5.9484 5.9484 5.9594 5.9594 6.3111 6.3111 6.3333 6.3333 8.8805 8.8805 8.8898 8.8898 10.0390 10.0390 10.0487 10.0487 10.5307 10.5307 k =-0.0988 0.1283 0.8196 ( 5574 PWs) bands (ev): -4.8807 -4.8807 -4.8781 -4.8781 -3.5151 -3.5151 -3.5063 -3.5063 -1.5906 -1.5906 -1.5531 -1.5531 -1.5182 -1.5182 -1.4090 -1.4090 -1.0138 -1.0138 -0.9181 -0.9181 -0.8785 -0.8785 -0.8016 -0.8016 -0.7754 -0.7754 -0.7052 -0.7052 0.3657 0.3657 0.3853 0.3853 2.2221 2.2221 2.2393 2.2393 3.3390 3.3390 3.3440 3.3440 4.8493 4.8493 4.8518 4.8518 5.9360 5.9360 5.9477 5.9477 6.2872 6.2872 6.3115 6.3115 8.9070 8.9070 8.9168 8.9168 10.0769 10.0769 10.0839 10.0839 10.5100 10.5100 k =-0.1111 0.1444 0.8196 ( 5578 PWs) bands (ev): -4.8824 -4.8824 -4.8798 -4.8798 -3.5162 -3.5162 -3.5073 -3.5073 -1.5939 -1.5939 -1.5537 -1.5537 -1.5243 -1.5243 -1.4111 -1.4111 -1.0183 -1.0183 -0.9178 -0.9178 -0.8803 -0.8803 -0.8043 -0.8043 -0.7748 -0.7748 -0.7057 -0.7057 0.4033 0.4033 0.4228 0.4228 2.2281 2.2281 2.2447 2.2447 3.3389 3.3389 3.3443 3.3443 4.8082 4.8082 4.8103 4.8103 5.9224 5.9224 5.9348 5.9348 6.2618 6.2618 6.2881 6.2881 8.9362 8.9362 8.9462 8.9462 10.1085 10.1085 10.1131 10.1131 10.4870 10.4870 k =-0.1235 0.1604 0.8196 ( 5580 PWs) bands (ev): -4.8845 -4.8845 -4.8820 -4.8820 -3.5170 -3.5170 -3.5082 -3.5082 -1.5974 -1.5974 -1.5557 -1.5557 -1.5285 -1.5285 -1.4139 -1.4139 -1.0221 -1.0221 -0.9180 -0.9180 -0.8812 -0.8812 -0.8080 -0.8080 -0.7731 -0.7731 -0.7065 -0.7065 0.4425 0.4425 0.4618 0.4618 2.2351 2.2351 2.2510 2.2510 3.3385 3.3385 3.3444 3.3444 4.7655 4.7655 4.7681 4.7681 5.9074 5.9074 5.9206 5.9206 6.2355 6.2355 6.2638 6.2638 8.9671 8.9671 8.9773 8.9773 10.1299 10.1299 10.1353 10.1353 10.4629 10.4629 k =-0.1358 0.1764 0.8196 ( 5586 PWs) bands (ev): -4.8870 -4.8870 -4.8846 -4.8846 -3.5173 -3.5173 -3.5086 -3.5086 -1.6011 -1.6011 -1.5592 -1.5592 -1.5308 -1.5308 -1.4174 -1.4174 -1.0253 -1.0253 -0.9189 -0.9189 -0.8813 -0.8813 -0.8123 -0.8123 -0.7710 -0.7710 -0.7075 -0.7075 0.4822 0.4822 0.5015 0.5015 2.2433 2.2433 2.2583 2.2583 3.3379 3.3379 3.3442 3.3442 4.7224 4.7224 4.7259 4.7259 5.8911 5.8911 5.9052 5.9052 6.2087 6.2087 6.2392 6.2392 8.9987 8.9987 9.0089 9.0089 10.1400 10.1400 10.1492 10.1492 10.4384 10.4384 k =-0.1482 0.1925 0.8196 ( 5586 PWs) bands (ev): -4.8898 -4.8898 -4.8875 -4.8875 -3.5171 -3.5171 -3.5086 -3.5086 -1.6047 -1.6047 -1.5636 -1.5636 -1.5314 -1.5314 -1.4211 -1.4211 -1.0278 -1.0278 -0.9203 -0.9203 -0.8805 -0.8805 -0.8166 -0.8166 -0.7688 -0.7688 -0.7086 -0.7086 0.5218 0.5218 0.5412 0.5412 2.2528 2.2528 2.2670 2.2670 3.3370 3.3370 3.3437 3.3437 4.6799 4.6799 4.6844 4.6844 5.8733 5.8733 5.8885 5.8885 6.1821 6.1821 6.2148 6.2148 9.0296 9.0296 9.0397 9.0397 10.1401 10.1401 10.1537 10.1537 10.4138 10.4138 k =-0.1482 0.1925 0.8196 ( 5586 PWs) bands (ev): -4.8898 -4.8898 -4.8875 -4.8875 -3.5171 -3.5171 -3.5086 -3.5086 -1.6047 -1.6047 -1.5636 -1.5636 -1.5314 -1.5314 -1.4211 -1.4211 -1.0278 -1.0278 -0.9203 -0.9203 -0.8805 -0.8805 -0.8166 -0.8166 -0.7688 -0.7688 -0.7086 -0.7086 0.5218 0.5218 0.5412 0.5412 2.2528 2.2528 2.2670 2.2670 3.3370 3.3370 3.3437 3.3437 4.6799 4.6799 4.6844 4.6844 5.8733 5.8733 5.8885 5.8885 6.1821 6.1821 6.2148 6.2148 9.0296 9.0296 9.0397 9.0397 10.1401 10.1401 10.1537 10.1537 10.4138 10.4138 k =-0.1570 0.2039 0.8052 ( 5588 PWs) bands (ev): -4.9158 -4.9136 -4.8684 -4.8663 -3.5221 -3.5180 -3.5064 -3.5029 -1.6102 -1.6047 -1.5696 -1.5649 -1.5343 -1.5277 -1.4281 -1.4195 -1.0312 -1.0274 -0.9244 -0.9187 -0.8810 -0.8784 -0.8218 -0.8170 -0.7688 -0.7657 -0.7110 -0.7075 0.5184 0.5318 0.5877 0.5979 2.2427 2.2557 2.2818 2.2954 3.3044 3.3113 3.3671 3.3739 4.6322 4.6380 4.6690 4.6736 5.8360 5.8435 5.8809 5.8845 6.1433 6.1634 6.1998 6.2290 9.0477 9.0561 9.0592 9.0690 10.1244 10.1376 10.1486 10.1600 10.3768 10.3843 k =-0.1658 0.2153 0.7908 ( 5586 PWs) bands (ev): -4.9407 -4.9386 -4.8483 -4.8463 -3.5280 -3.5236 -3.4985 -3.4954 -1.6160 -1.6046 -1.5758 -1.5662 -1.5370 -1.5230 -1.4349 -1.4176 -1.0343 -1.0267 -0.9285 -0.9175 -0.8815 -0.8763 -0.8263 -0.8168 -0.7687 -0.7628 -0.7127 -0.7062 0.5087 0.5243 0.6491 0.6581 2.2394 2.2512 2.3115 2.3246 3.2722 3.2794 3.3944 3.4015 4.5872 4.5944 4.6579 4.6626 5.7837 5.7921 5.8654 5.8698 6.1108 6.1258 6.2183 6.2523 9.0653 9.0732 9.0935 9.1044 10.0990 10.1158 10.1505 10.1641 10.3484 10.3536 k =-0.1746 0.2267 0.7764 ( 5586 PWs) bands (ev): -4.9646 -4.9625 -4.8295 -4.8276 -3.5340 -3.5298 -3.4894 -3.4867 -1.6220 -1.6048 -1.5814 -1.5677 -1.5395 -1.5181 -1.4413 -1.4153 -1.0371 -1.0261 -0.9327 -0.9165 -0.8820 -0.8745 -0.8300 -0.8160 -0.7685 -0.7600 -0.7138 -0.7046 0.4952 0.5128 0.7113 0.7193 2.2432 2.2536 2.3417 2.3544 3.2407 3.2482 3.4186 3.4259 4.5452 4.5538 4.6467 4.6514 5.7233 5.7316 5.8300 5.8402 6.0894 6.0973 6.2437 6.2803 9.0801 9.0867 9.1331 9.1442 10.0648 10.0825 10.1512 10.1657 10.3326 10.3377 k =-0.1834 0.2382 0.7620 ( 5586 PWs) bands (ev): -4.9873 -4.9853 -4.8121 -4.8104 -3.5400 -3.5360 -3.4797 -3.4768 -1.6282 -1.6057 -1.5856 -1.5694 -1.5417 -1.5134 -1.4473 -1.4122 -1.0398 -1.0254 -0.9367 -0.9158 -0.8826 -0.8729 -0.8330 -0.8146 -0.7684 -0.7574 -0.7141 -0.7026 0.4780 0.4975 0.7738 0.7808 2.2538 2.2628 2.3723 2.3845 3.2099 3.2177 3.4394 3.4470 4.5063 4.5163 4.6353 4.6400 5.6577 5.6656 5.7789 5.7943 6.0772 6.0805 6.2726 6.3111 9.0896 9.0949 9.1759 9.1869 10.0258 10.0428 10.1491 10.1645 10.3291 10.3360 k =-0.1922 0.2496 0.7475 ( 5587 PWs) bands (ev): -5.0089 -5.0070 -4.7961 -4.7945 -3.5459 -3.5422 -3.4698 -3.4659 -1.6345 -1.6077 -1.5879 -1.5714 -1.5437 -1.5093 -1.4528 -1.4082 -1.0424 -1.0249 -0.9404 -0.9154 -0.8833 -0.8717 -0.8354 -0.8127 -0.7685 -0.7544 -0.7137 -0.7000 0.4575 0.4787 0.8361 0.8423 2.2709 2.2785 2.4030 2.4147 3.1800 3.1880 3.4567 3.4645 4.4702 4.4815 4.6239 4.6284 5.5891 5.5965 5.7180 5.7368 6.0689 6.0736 6.3036 6.3434 9.0916 9.0953 9.2204 9.2308 9.9866 10.0019 10.1437 10.1602 10.3362 10.3463 k =-0.2010 0.2610 0.7331 ( 5583 PWs) bands (ev): -5.0293 -5.0274 -4.7815 -4.7801 -3.5517 -3.5482 -3.4596 -3.4541 -1.6408 -1.6109 -1.5882 -1.5737 -1.5454 -1.5060 -1.4577 -1.4029 -1.0449 -1.0245 -0.9439 -0.9151 -0.8840 -0.8709 -0.8371 -0.8103 -0.7688 -0.7509 -0.7129 -0.6967 0.4338 0.4565 0.8979 0.9035 2.2941 2.3004 2.4336 2.4450 3.1510 3.1591 3.4704 3.4785 4.4365 4.4490 4.6125 4.6169 5.5192 5.5261 5.6522 5.6728 6.0636 6.0706 6.3357 6.3765 9.0842 9.0864 9.2653 9.2745 9.9510 9.9642 10.1351 10.1528 10.3525 10.3664 k =-0.2097 0.2724 0.7187 ( 5589 PWs) bands (ev): -5.0484 -5.0465 -4.7683 -4.7669 -3.5573 -3.5540 -3.4492 -3.4418 -1.6471 -1.6146 -1.5873 -1.5761 -1.5470 -1.5038 -1.4619 -1.3965 -1.0474 -1.0245 -0.9470 -0.9150 -0.8849 -0.8704 -0.8384 -0.8078 -0.7696 -0.7463 -0.7118 -0.6926 0.4075 0.4313 0.9588 0.9638 2.3225 2.3279 2.4640 2.4751 3.1230 3.1312 3.4810 3.4893 4.4042 4.4176 4.6014 4.6056 5.4494 5.4558 5.5851 5.6066 6.0599 6.0683 6.3685 6.4100 9.0661 9.0674 9.3090 9.3168 9.9213 9.9320 10.1239 10.1426 10.3771 10.3952 k =-0.2185 0.2839 0.7043 ( 5587 PWs) bands (ev): -5.0662 -5.0644 -4.7565 -4.7550 -3.5627 -3.5596 -3.4386 -3.4293 -1.6533 -1.6184 -1.5858 -1.5782 -1.5483 -1.5026 -1.4656 -1.3887 -1.0499 -1.0247 -0.9496 -0.9149 -0.8857 -0.8702 -0.8393 -0.8052 -0.7706 -0.7406 -0.7104 -0.6875 0.3792 0.4037 1.0184 1.0230 2.3554 2.3604 2.4941 2.5049 3.0959 3.1042 3.4889 3.4974 4.3719 4.3859 4.5909 4.5948 5.3810 5.3868 5.5193 5.5411 6.0565 6.0658 6.4015 6.4434 9.0372 9.0390 9.3503 9.3563 9.8985 9.9063 10.1109 10.1301 10.4094 10.4321 k =-0.2273 0.2953 0.6899 ( 5584 PWs) bands (ev): -5.0827 -5.0810 -4.7460 -4.7444 -3.5678 -3.5649 -3.4282 -3.4167 -1.6591 -1.6220 -1.5854 -1.5789 -1.5495 -1.5022 -1.4687 -1.3797 -1.0524 -1.0253 -0.9517 -0.9149 -0.8867 -0.8701 -0.8400 -0.8029 -0.7719 -0.7339 -0.7087 -0.6817 0.3495 0.3742 1.0762 1.0805 2.3917 2.3969 2.5238 2.5344 3.0699 3.0782 3.4949 3.5034 4.3381 4.3523 4.5814 4.5847 5.3149 5.3204 5.4567 5.4785 6.0527 6.0627 6.4345 6.4765 8.9990 9.0022 9.3879 9.3924 9.8821 9.8867 10.0967 10.1159 10.4488 10.4764 k =-0.2361 0.3067 0.6754 ( 5584 PWs) bands (ev): -5.0979 -5.0962 -4.7368 -4.7349 -3.5727 -3.5699 -3.4179 -3.4043 -1.6647 -1.6254 -1.5870 -1.5773 -1.5506 -1.5025 -1.4715 -1.3698 -1.0550 -1.0261 -0.9534 -0.9149 -0.8877 -0.8702 -0.8407 -0.8008 -0.7734 -0.7267 -0.7063 -0.6751 0.3190 0.3435 1.1317 1.1357 2.4304 2.4364 2.5531 2.5636 3.0449 3.0532 3.5000 3.5084 4.3013 4.3152 4.5730 4.5758 5.2523 5.2574 5.3990 5.4205 6.0485 6.0588 6.4670 6.5090 8.9542 8.9588 9.4205 9.4246 9.8713 9.8726 10.0821 10.1008 10.4948 10.5279 k =-0.2449 0.3181 0.6610 ( 5582 PWs) bands (ev): -5.1117 -5.1100 -4.7287 -4.7266 -3.5772 -3.5746 -3.4080 -3.3923 -1.6699 -1.6285 -1.5895 -1.5745 -1.5516 -1.5032 -1.4741 -1.3591 -1.0576 -1.0271 -0.9547 -0.9148 -0.8888 -0.8702 -0.8412 -0.7990 -0.7749 -0.7203 -0.7023 -0.6678 0.2884 0.3121 1.1845 1.1883 2.4702 2.4775 2.5822 2.5925 3.0209 3.0291 3.5053 3.5135 4.2602 4.2734 4.5659 4.5681 5.1939 5.1987 5.3473 5.3684 6.0436 6.0542 6.4989 6.5405 8.9052 8.9109 9.4474 9.4525 9.8629 9.8650 10.0676 10.0853 10.5470 10.5857 k =-0.2537 0.3296 0.6466 ( 5584 PWs) bands (ev): -5.1241 -5.1225 -4.7217 -4.7194 -3.5813 -3.5788 -3.3986 -3.3808 -1.6747 -1.6312 -1.5922 -1.5715 -1.5525 -1.5041 -1.4766 -1.3481 -1.0604 -1.0283 -0.9558 -0.9147 -0.8902 -0.8702 -0.8418 -0.7974 -0.7764 -0.7159 -0.6958 -0.6599 0.2583 0.2808 1.2339 1.2375 2.5100 2.5188 2.6110 2.6212 2.9980 3.0061 3.5119 3.5199 4.2140 4.2262 4.5595 4.5619 5.1406 5.1451 5.3023 5.3229 6.0384 6.0491 6.5297 6.5706 8.8545 8.8611 9.4689 9.4755 9.8569 9.8620 10.0536 10.0699 10.6048 10.6490 k =-0.2625 0.3410 0.6322 ( 5589 PWs) bands (ev): -5.1351 -5.1335 -4.7157 -4.7132 -3.5850 -3.5826 -3.3900 -3.3702 -1.6790 -1.6336 -1.5948 -1.5684 -1.5532 -1.5049 -1.4791 -1.3371 -1.0632 -1.0294 -0.9565 -0.9145 -0.8917 -0.8701 -0.8424 -0.7960 -0.7780 -0.7135 -0.6875 -0.6515 0.2297 0.2504 1.2794 1.2829 2.5481 2.5585 2.6399 2.6497 2.9762 2.9841 3.5212 3.5290 4.1627 4.1736 4.5535 4.5570 5.0930 5.0973 5.2644 5.2845 6.0329 6.0437 6.5588 6.5989 8.8044 8.8115 9.4854 9.4936 9.8540 9.8615 10.0405 10.0551 10.6675 10.7168 k =-0.2713 0.3524 0.6178 ( 5593 PWs) bands (ev): -5.1446 -5.1431 -4.7107 -4.7080 -3.5883 -3.5860 -3.3821 -3.3606 -1.6827 -1.6357 -1.5972 -1.5655 -1.5537 -1.5057 -1.4815 -1.3264 -1.0659 -1.0305 -0.9571 -0.9141 -0.8933 -0.8701 -0.8429 -0.7947 -0.7795 -0.7121 -0.6787 -0.6426 0.2030 0.2215 1.3204 1.3237 2.5831 2.5951 2.6687 2.6780 2.9555 2.9632 3.5345 3.5419 4.1068 4.1165 4.5477 4.5527 5.0517 5.0558 5.2332 5.2529 6.0274 6.0382 6.5860 6.6250 8.7568 8.7640 9.4974 9.5069 9.8535 9.8627 10.0285 10.0412 10.7339 10.7877 k =-0.2801 0.3638 0.6034 ( 5597 PWs) bands (ev): -5.1528 -5.1513 -4.7066 -4.7036 -3.5912 -3.5889 -3.3753 -3.3521 -1.6860 -1.6374 -1.5994 -1.5629 -1.5540 -1.5062 -1.4839 -1.3164 -1.0686 -1.0315 -0.9575 -0.9135 -0.8951 -0.8700 -0.8434 -0.7935 -0.7809 -0.7112 -0.6704 -0.6336 0.1791 0.1951 1.3563 1.3596 2.6141 2.6276 2.6968 2.7056 2.9362 2.9437 3.5529 3.5598 4.0472 4.0558 4.5421 4.5486 5.0171 5.0211 5.2085 5.2277 6.0222 6.0330 6.6105 6.6483 8.7136 8.7205 9.5057 9.5163 9.8547 9.8650 10.0179 10.0285 10.8027 10.8600 k =-0.2889 0.3753 0.5889 ( 5592 PWs) bands (ev): -5.1594 -5.1580 -4.7033 -4.7002 -3.5935 -3.5913 -3.3695 -3.3450 -1.6886 -1.6388 -1.6012 -1.5608 -1.5540 -1.5064 -1.4860 -1.3074 -1.0711 -1.0324 -0.9577 -0.9127 -0.8969 -0.8699 -0.8438 -0.7923 -0.7822 -0.7106 -0.6631 -0.6250 0.1585 0.1718 1.3866 1.3898 2.6404 2.6552 2.7228 2.7312 2.9186 2.9259 3.5774 3.5839 3.9853 3.9930 4.5366 4.5446 4.9892 4.9932 5.1895 5.2084 6.0175 6.0284 6.6317 6.6683 8.6763 8.6824 9.5111 9.5225 9.8570 9.8679 10.0087 10.0173 10.8718 10.9314 k =-0.2977 0.3867 0.5745 ( 5590 PWs) bands (ev): -5.1646 -5.1632 -4.7008 -4.6975 -3.5954 -3.5932 -3.3649 -3.3393 -1.6907 -1.6399 -1.6026 -1.5595 -1.5535 -1.5065 -1.4880 -1.3000 -1.0733 -1.0330 -0.9579 -0.9118 -0.8988 -0.8698 -0.8440 -0.7912 -0.7835 -0.7102 -0.6572 -0.6173 0.1421 0.1525 1.4108 1.4139 2.6619 2.6778 2.7450 2.7532 2.9032 2.9103 3.6086 3.6146 3.9226 3.9296 4.5316 4.5409 4.9681 4.9721 5.1756 5.1942 6.0135 6.0244 6.6491 6.6845 8.6460 8.6510 9.5144 9.5263 9.8599 9.8707 10.0014 10.0079 10.9383 10.9986 k =-0.3065 0.3981 0.5601 ( 5588 PWs) bands (ev): -5.1683 -5.1669 -4.6990 -4.6956 -3.5967 -3.5945 -3.3616 -3.3351 -1.6921 -1.6407 -1.6036 -1.5589 -1.5528 -1.5064 -1.4896 -1.2944 -1.0749 -1.0335 -0.9580 -0.9107 -0.9006 -0.8697 -0.8443 -0.7902 -0.7846 -0.7099 -0.6529 -0.6113 0.1302 0.1378 1.4285 1.4314 2.6782 2.6951 2.7617 2.7700 2.8909 2.8979 3.6468 3.6523 3.8606 3.8673 4.5275 4.5377 4.9534 4.9574 5.1662 5.1846 6.0105 6.0215 6.6621 6.6964 8.6240 8.6275 9.5162 9.5285 9.8626 9.8732 9.9960 10.0007 10.9983 11.0569 k =-0.3153 0.4095 0.5457 ( 5590 PWs) bands (ev): -5.1706 -5.1691 -4.6980 -4.6945 -3.5976 -3.5953 -3.3595 -3.3326 -1.6931 -1.6412 -1.6043 -1.5587 -1.5522 -1.5062 -1.4907 -1.2909 -1.0760 -1.0338 -0.9580 -0.9098 -0.9019 -0.8696 -0.8444 -0.7894 -0.7855 -0.7098 -0.6503 -0.6074 0.1231 0.1284 1.4392 1.4421 2.6886 2.7062 2.7721 2.7805 2.8828 2.8899 3.6913 3.6960 3.8012 3.8083 4.5248 4.5355 4.9447 4.9488 5.1607 5.1790 6.0087 6.0196 6.6700 6.7037 8.6108 8.6127 9.5171 9.5296 9.8645 9.8748 9.9928 9.9960 11.0460 11.0934 k =-0.3241 0.4210 0.5313 ( 5593 PWs) bands (ev): -5.1713 -5.1699 -4.6977 -4.6942 -3.5978 -3.5956 -3.3589 -3.3317 -1.6934 -1.6414 -1.6045 -1.5586 -1.5520 -1.5062 -1.4911 -1.2897 -1.0764 -1.0339 -0.9581 -0.9094 -0.9025 -0.8696 -0.8445 -0.7891 -0.7859 -0.7097 -0.6494 -0.6060 0.1209 0.1251 1.4428 1.4456 2.6922 2.7101 2.7755 2.7840 2.8800 2.8870 3.7325 3.7330 3.7552 3.7658 4.5238 4.5348 4.9419 4.9460 5.1589 5.1772 6.0081 6.0190 6.6727 6.7062 8.6069 8.6071 9.5174 9.5299 9.8652 9.8753 9.9918 9.9943 11.0687 11.0955 k =-0.3241 0.4210 0.5313 ( 5593 PWs) bands (ev): -5.1713 -5.1699 -4.6977 -4.6942 -3.5978 -3.5956 -3.3589 -3.3317 -1.6934 -1.6414 -1.6045 -1.5586 -1.5520 -1.5062 -1.4911 -1.2897 -1.0764 -1.0339 -0.9581 -0.9094 -0.9025 -0.8696 -0.8445 -0.7891 -0.7859 -0.7097 -0.6494 -0.6060 0.1209 0.1251 1.4428 1.4456 2.6922 2.7101 2.7755 2.7840 2.8800 2.8870 3.7325 3.7330 3.7552 3.7658 4.5238 4.5348 4.9419 4.9460 5.1589 5.1772 6.0081 6.0190 6.6727 6.7062 8.6069 8.6071 9.5174 9.5299 9.8652 9.8753 9.9918 9.9943 11.0687 11.0954 k =-0.3151 0.4093 0.5165 ( 5585 PWs) bands (ev): -5.1915 -5.1903 -4.6630 -4.6593 -3.6059 -3.6049 -3.3599 -3.3324 -1.6935 -1.6444 -1.6055 -1.5580 -1.5479 -1.5101 -1.4925 -1.2845 -1.0805 -1.0350 -0.9595 -0.9155 -0.9001 -0.8713 -0.8434 -0.7886 -0.7878 -0.7081 -0.6420 -0.5958 0.0919 0.1030 1.4666 1.4681 2.6897 2.7071 2.8196 2.8281 2.8561 2.8643 3.7126 3.7229 3.7478 3.7479 4.4540 4.4660 4.9645 4.9694 5.1061 5.1251 6.0428 6.0525 6.6823 6.7123 8.6431 8.6433 9.5799 9.5915 9.8864 9.8980 10.0139 10.0164 11.1383 11.1622 k =-0.3061 0.3976 0.5017 ( 5591 PWs) bands (ev): -5.2135 -5.2124 -4.6269 -4.6229 -3.6120 -3.6119 -3.3608 -3.3332 -1.6930 -1.6466 -1.6068 -1.5603 -1.5414 -1.5138 -1.4925 -1.2798 -1.0853 -1.0357 -0.9610 -0.9228 -0.8979 -0.8722 -0.8423 -0.7917 -0.7864 -0.7066 -0.6347 -0.5860 0.0617 0.0805 1.4798 1.4801 2.6881 2.7045 2.8321 2.8387 2.8790 2.8899 3.6737 3.6840 3.7588 3.7592 4.3822 4.3952 4.9912 4.9969 5.0578 5.0774 6.0722 6.0804 6.6858 6.7123 8.6811 8.6818 9.6383 9.6481 9.9053 9.9184 10.0321 10.0390 11.1750 11.2465 k =-0.2971 0.3859 0.4870 ( 5601 PWs) bands (ev): -5.2370 -5.2362 -4.5894 -4.5852 -3.6169 -3.6156 -3.3615 -3.3339 -1.6918 -1.6481 -1.6085 -1.5627 -1.5359 -1.5175 -1.4902 -1.2757 -1.0910 -1.0362 -0.9625 -0.9308 -0.8958 -0.8724 -0.8410 -0.7951 -0.7847 -0.7051 -0.6277 -0.5767 0.0304 0.0576 1.4830 1.4835 2.6856 2.7003 2.8137 2.8202 2.9488 2.9596 3.6388 3.6491 3.7658 3.7663 4.3089 4.3227 5.0132 5.0208 5.0295 5.0356 6.0959 6.1023 6.6835 6.7061 8.7207 8.7219 9.6901 9.6970 9.9241 9.9388 10.0534 10.0630 11.1998 11.2541 k =-0.2881 0.3742 0.4722 ( 5601 PWs) bands (ev): -5.2620 -5.2614 -4.5507 -4.5463 -3.6197 -3.6173 -3.3621 -3.3345 -1.6900 -1.6489 -1.6106 -1.5649 -1.5321 -1.5208 -1.4851 -1.2721 -1.0979 -1.0362 -0.9640 -0.9390 -0.8939 -0.8722 -0.8396 -0.7987 -0.7825 -0.7036 -0.6209 -0.5680 -0.0019 0.0346 1.4781 1.4792 2.6800 2.6916 2.8021 2.8068 3.0290 3.0402 3.6082 3.6187 3.7683 3.7690 4.2345 4.2492 4.9754 4.9957 5.0573 5.0643 6.1133 6.1177 6.6754 6.6941 8.7613 8.7628 9.7334 9.7359 9.9449 9.9611 10.0821 10.0923 11.2058 11.2417 k =-0.2791 0.3625 0.4575 ( 5601 PWs) bands (ev): -5.2884 -5.2879 -4.5107 -4.5060 -3.6203 -3.6168 -3.3626 -3.3352 -1.6877 -1.6491 -1.6133 -1.5670 -1.5302 -1.5237 -1.4774 -1.2690 -1.1063 -1.0360 -0.9655 -0.9470 -0.8922 -0.8718 -0.8382 -0.8026 -0.7799 -0.7023 -0.6144 -0.5599 -0.0350 0.0115 1.4670 1.4686 2.6691 2.6765 2.7994 2.8014 3.1171 3.1289 3.5824 3.5932 3.7662 3.7669 4.1596 4.1750 4.9423 4.9631 5.0954 5.1034 6.1243 6.1262 6.6619 6.6767 8.8021 8.8041 9.7651 9.7679 9.9690 9.9868 10.1199 10.1287 11.1887 11.2093 k =-0.2701 0.3508 0.4427 ( 5609 PWs) bands (ev): -5.3160 -5.3157 -4.4695 -4.4646 -3.6189 -3.6143 -3.3630 -3.3358 -1.6850 -1.6487 -1.6165 -1.5689 -1.5295 -1.5263 -1.4678 -1.2666 -1.1164 -1.0354 -0.9670 -0.9544 -0.8909 -0.8711 -0.8371 -0.8066 -0.7768 -0.7012 -0.6084 -0.5525 -0.0686 -0.0117 1.4513 1.4531 2.6523 2.6558 2.8044 2.8049 3.2101 3.2228 3.5623 3.5740 3.7593 3.7600 4.0847 4.1010 4.9144 4.9353 5.1372 5.1460 6.1277 6.1285 6.6437 6.6546 8.8426 8.8450 9.7875 9.7955 9.9974 10.0166 10.1653 10.1717 11.1479 11.1569 k =-0.2611 0.3391 0.4280 ( 5601 PWs) bands (ev): -5.3445 -5.3444 -4.4272 -4.4220 -3.6155 -3.6099 -3.3632 -3.3364 -1.6817 -1.6481 -1.6200 -1.5705 -1.5296 -1.5284 -1.4568 -1.2647 -1.1286 -1.0344 -0.9683 -0.9608 -0.8897 -0.8703 -0.8361 -0.8106 -0.7730 -0.7002 -0.6028 -0.5460 -0.1026 -0.0347 1.4321 1.4341 2.6314 2.6318 2.8143 2.8164 3.3031 3.3176 3.5507 3.5640 3.7479 3.7483 4.0107 4.0278 4.8913 4.9124 5.1823 5.1920 6.1219 6.1258 6.6217 6.6287 8.8824 8.8850 9.8075 9.8197 10.0306 10.0510 10.2148 10.2187 11.0861 11.0862 k =-0.2521 0.3274 0.4132 ( 5605 PWs) bands (ev): -5.3739 -5.3739 -4.3839 -4.3785 -3.6102 -3.6037 -3.3632 -3.3370 -1.6782 -1.6480 -1.6235 -1.5719 -1.5300 -1.5300 -1.4451 -1.2633 -1.1429 -1.0332 -0.9696 -0.9661 -0.8889 -0.8694 -0.8356 -0.8147 -0.7687 -0.6994 -0.5978 -0.5402 -0.1369 -0.0575 1.4107 1.4127 2.6061 2.6082 2.8292 2.8322 3.3851 3.4017 3.5566 3.5715 3.7322 3.7323 3.9391 3.9571 4.8728 4.8937 5.2305 5.2410 6.1090 6.1161 6.5967 6.6000 8.9211 8.9237 9.8290 9.8441 10.0689 10.0902 10.2647 10.2663 11.0004 11.0074 k =-0.2431 0.3157 0.3984 ( 5601 PWs) bands (ev): -5.4041 -5.4040 -4.3396 -4.3339 -3.6033 -3.5960 -3.3631 -3.3375 -1.6744 -1.6494 -1.6258 -1.5732 -1.5310 -1.5304 -1.4331 -1.2625 -1.1592 -1.0318 -0.9708 -0.9699 -0.8883 -0.8685 -0.8356 -0.8187 -0.7637 -0.6987 -0.5933 -0.5353 -0.1711 -0.0801 1.3878 1.3898 2.5801 2.5839 2.8476 2.8509 3.4360 3.4500 3.5990 3.6110 3.7127 3.7129 3.8747 3.8936 4.8581 4.8788 5.2815 5.2929 6.0891 6.0996 6.5697 6.5699 8.9585 8.9611 9.8547 9.8715 10.1121 10.1340 10.3104 10.3108 10.9035 10.9166 k =-0.2341 0.3040 0.3837 ( 5609 PWs) bands (ev): -5.4347 -5.4345 -4.2944 -4.2885 -3.5949 -3.5868 -3.3629 -3.3379 -1.6705 -1.6535 -1.6260 -1.5742 -1.5316 -1.5307 -1.4212 -1.2622 -1.1775 -1.0301 -0.9724 -0.9718 -0.8879 -0.8677 -0.8361 -0.8224 -0.7582 -0.6982 -0.5894 -0.5313 -0.2051 -0.1025 1.3643 1.3662 2.5542 2.5596 2.8685 2.8718 3.4547 3.4643 3.6535 3.6614 3.6918 3.6926 3.8388 3.8562 4.8464 4.8668 5.3351 5.3475 6.0624 6.0766 6.5389 6.5424 8.9947 8.9971 9.8861 9.9035 10.1600 10.1820 10.3459 10.3484 10.8014 10.8194 k =-0.2251 0.2923 0.3689 ( 5609 PWs) bands (ev): -5.4656 -5.4652 -4.2484 -4.2423 -3.5851 -3.5765 -3.3625 -3.3384 -1.6664 -1.6603 -1.6240 -1.5750 -1.5317 -1.5309 -1.4098 -1.2624 -1.1972 -1.0283 -0.9734 -0.9728 -0.8877 -0.8672 -0.8371 -0.8256 -0.7523 -0.6978 -0.5860 -0.5282 -0.2386 -0.1245 1.3408 1.3425 2.5291 2.5358 2.8910 2.8942 3.4603 3.4685 3.6467 3.6530 3.6666 3.6742 3.8829 3.8933 4.8370 4.8569 5.3912 5.4044 6.0295 6.0473 6.5088 6.5154 9.0300 9.0322 9.9236 9.9410 10.2120 10.2336 10.3643 10.3698 10.7033 10.7243 k =-0.2161 0.2806 0.3542 ( 5601 PWs) bands (ev): -5.4965 -5.4960 -4.2018 -4.1954 -3.5741 -3.5650 -3.3619 -3.3387 -1.6692 -1.6624 -1.6206 -1.5756 -1.5315 -1.5308 -1.3994 -1.2630 -1.2178 -1.0263 -0.9736 -0.9731 -0.8876 -0.8670 -0.8386 -0.8282 -0.7460 -0.6974 -0.5831 -0.5259 -0.2713 -0.1462 1.3176 1.3193 2.5051 2.5128 2.9144 2.9173 3.4616 3.4711 3.5962 3.6126 3.6360 3.6382 3.9822 3.9888 4.8292 4.8484 5.4493 5.4635 5.9909 6.0125 6.4805 6.4901 9.0648 9.0666 9.9670 9.9837 10.2675 10.2878 10.3498 10.3607 10.6260 10.6461 k =-0.2071 0.2689 0.3394 ( 5585 PWs) bands (ev): -5.5272 -5.5267 -4.1545 -4.1479 -3.5621 -3.5527 -3.3612 -3.3391 -1.6795 -1.6586 -1.6162 -1.5759 -1.5308 -1.5305 -1.3906 -1.2640 -1.2385 -1.0243 -0.9742 -0.9716 -0.8875 -0.8674 -0.8405 -0.8298 -0.7395 -0.6971 -0.5808 -0.5244 -0.3030 -0.1676 1.2954 1.2968 2.4823 2.4911 2.9381 2.9407 3.4575 3.4711 3.5367 3.5603 3.6059 3.6063 4.0972 4.1024 4.8222 4.8407 5.5093 5.5245 5.9475 5.9727 6.4552 6.4674 9.0993 9.1008 10.0154 10.0310 10.2841 10.3056 10.3264 10.3470 10.5848 10.6005 k =-0.1981 0.2573 0.3247 ( 5593 PWs) bands (ev): -5.5577 -5.5572 -4.1067 -4.0999 -3.5493 -3.5397 -3.3604 -3.3394 -1.6912 -1.6551 -1.6113 -1.5761 -1.5301 -1.5300 -1.3846 -1.2655 -1.2580 -1.0224 -0.9749 -0.9690 -0.8876 -0.8687 -0.8429 -0.8303 -0.7330 -0.6969 -0.5792 -0.5239 -0.3336 -0.1887 1.2742 1.2754 2.4611 2.4707 2.9612 2.9636 3.4341 3.4427 3.5050 3.5244 3.5748 3.5764 4.2176 4.2225 4.8156 4.8334 5.5709 5.5871 5.9002 5.9287 6.4337 6.4484 9.1338 9.1349 10.0671 10.0812 10.1856 10.2140 10.3861 10.4043 10.5683 10.5802 k =-0.1891 0.2456 0.3099 ( 5583 PWs) bands (ev): -5.5878 -5.5872 -4.0586 -4.0516 -3.5358 -3.5262 -3.3594 -3.3397 -1.7040 -1.6522 -1.6058 -1.5762 -1.5295 -1.5290 -1.3826 -1.2744 -1.2673 -1.0205 -0.9754 -0.9653 -0.8877 -0.8707 -0.8455 -0.8296 -0.7265 -0.6966 -0.5780 -0.5240 -0.3626 -0.2095 1.2546 1.2555 2.4416 2.4519 2.9832 2.9853 3.3807 3.3826 3.5093 3.5176 3.5444 3.5466 4.3403 4.3453 4.8091 4.8261 5.6335 5.6510 5.8500 5.8816 6.4166 6.4336 9.1680 9.1688 10.0685 10.0999 10.1244 10.1351 10.4467 10.4624 10.5574 10.5672 k =-0.1801 0.2339 0.2951 ( 5583 PWs) bands (ev): -5.6173 -5.6167 -4.0102 -4.0030 -3.5218 -3.5124 -3.3583 -3.3400 -1.7179 -1.6501 -1.6001 -1.5764 -1.5291 -1.5280 -1.3861 -1.2859 -1.2694 -1.0190 -0.9760 -0.9608 -0.8877 -0.8736 -0.8483 -0.8277 -0.7203 -0.6961 -0.5772 -0.5249 -0.3899 -0.2301 1.2367 1.2372 2.4238 2.4349 3.0032 3.0052 3.3135 3.3198 3.5114 3.5144 3.5251 3.5282 4.4636 4.4692 4.8027 4.8189 5.6963 5.7160 5.7989 5.8323 6.4047 6.4237 9.2012 9.2016 9.9499 9.9872 10.1731 10.1841 10.5064 10.5186 10.5444 10.5526 k =-0.1710 0.2222 0.2804 ( 5587 PWs) bands (ev): -5.6461 -5.6455 -3.9618 -3.9544 -3.5075 -3.4984 -3.3570 -3.3402 -1.7327 -1.6491 -1.5943 -1.5768 -1.5289 -1.5270 -1.3948 -1.2917 -1.2719 -1.0181 -0.9766 -0.9555 -0.8877 -0.8769 -0.8510 -0.8249 -0.7144 -0.6955 -0.5770 -0.5265 -0.4152 -0.2504 1.2206 1.2208 2.4080 2.4196 3.0205 3.0224 3.2460 3.2544 3.4832 3.4875 3.5404 3.5409 4.5862 4.5928 4.7967 4.8120 5.7353 5.7719 5.7811 5.7827 6.3981 6.4190 9.2312 9.2315 9.8332 9.8732 10.2171 10.2257 10.5296 10.5347 10.5482 10.5499 k =-0.1620 0.2105 0.2656 ( 5589 PWs) bands (ev): -5.6740 -5.6734 -3.9133 -3.9059 -3.4929 -3.4843 -3.3556 -3.3405 -1.7484 -1.6499 -1.5883 -1.5777 -1.5293 -1.5259 -1.4064 -1.2932 -1.2746 -1.0181 -0.9770 -0.9496 -0.8877 -0.8805 -0.8534 -0.8213 -0.7089 -0.6946 -0.5774 -0.5288 -0.4383 -0.2706 1.2064 1.2067 2.3943 2.4064 3.0343 3.0362 3.1794 3.1888 3.4554 3.4604 3.5581 3.5602 4.7061 4.7146 4.7915 4.8063 5.6906 5.7328 5.8303 5.8476 6.3969 6.4195 9.2531 9.2541 9.7262 9.7674 10.2432 10.2484 10.4100 10.4107 10.5254 10.5279 k =-0.1530 0.1988 0.2509 ( 5597 PWs) bands (ev): -5.7010 -5.7004 -3.8651 -3.8576 -3.4782 -3.4705 -3.3541 -3.3407 -1.7649 -1.6532 -1.5822 -1.5793 -1.5302 -1.5249 -1.4175 -1.2923 -1.2777 -1.0194 -0.9773 -0.9434 -0.8876 -0.8844 -0.8553 -0.8171 -0.7040 -0.6934 -0.5783 -0.5316 -0.4588 -0.2905 1.1941 1.1949 2.3827 2.3951 3.0439 3.0459 3.1140 3.1240 3.4291 3.4350 3.5780 3.5825 4.7861 4.7944 4.8292 4.8343 5.6437 5.6863 5.8946 5.9136 6.4012 6.4253 9.2568 9.2607 9.6403 9.6797 10.2375 10.2398 10.2690 10.2703 10.5392 10.5403 k =-0.1440 0.1871 0.2361 ( 5591 PWs) bands (ev): -5.7269 -5.7263 -3.8172 -3.8097 -3.4637 -3.4570 -3.3523 -3.3410 -1.7820 -1.6601 -1.5814 -1.5761 -1.5315 -1.5241 -1.4257 -1.2903 -1.2809 -1.0224 -0.9771 -0.9369 -0.8883 -0.8873 -0.8562 -0.8125 -0.6996 -0.6916 -0.5798 -0.5349 -0.4765 -0.3103 1.1841 1.1854 2.3732 2.3859 3.0468 3.0511 3.0521 3.0603 3.4047 3.4114 3.6000 3.6067 4.7840 4.7946 4.9342 4.9461 5.6042 5.6459 5.9590 5.9790 6.4107 6.4360 9.2273 9.2385 9.5907 9.6237 10.1293 10.1301 10.2000 10.2025 10.5734 10.5769 k =-0.1350 0.1754 0.2214 ( 5581 PWs) bands (ev): -5.7517 -5.7511 -3.7698 -3.7624 -3.4492 -3.4439 -3.3504 -3.3412 -1.7998 -1.6718 -1.5836 -1.5701 -1.5326 -1.5233 -1.4299 -1.2884 -1.2844 -1.0276 -0.9762 -0.9304 -0.8920 -0.8870 -0.8560 -0.8077 -0.6959 -0.6892 -0.5821 -0.5386 -0.4914 -0.3298 1.1763 1.1782 2.3659 2.3787 2.9874 2.9981 3.0493 3.0516 3.3822 3.3896 3.6235 3.6324 4.7840 4.7936 5.0290 5.0468 5.5787 5.6172 6.0225 6.0435 6.4250 6.4513 9.1610 9.1811 9.5805 9.6050 9.9938 9.9945 10.1392 10.1430 10.6221 10.6266 k =-0.1260 0.1637 0.2066 ( 5577 PWs) bands (ev): -5.7752 -5.7747 -3.7233 -3.7159 -3.4351 -3.4315 -3.3482 -3.3415 -1.8180 -1.6886 -1.5851 -1.5643 -1.5332 -1.5227 -1.4303 -1.2881 -1.2866 -1.0349 -0.9748 -0.9242 -0.8956 -0.8866 -0.8546 -0.8029 -0.6928 -0.6860 -0.5851 -0.5427 -0.5033 -0.3493 1.1709 1.1733 2.3608 2.3737 2.9270 2.9377 3.0447 3.0472 3.3615 3.3695 3.6481 3.6591 4.7867 4.7951 5.1006 5.1274 5.5776 5.6090 6.0847 6.1063 6.4438 6.4709 9.0722 9.0986 9.5942 9.6119 9.8620 9.8629 10.0680 10.0728 10.6772 10.6822 k =-0.1170 0.1520 0.1918 ( 5573 PWs) bands (ev): -5.7974 -5.7969 -3.6777 -3.6706 -3.4214 -3.4198 -3.3458 -3.3417 -1.8366 -1.7099 -1.5856 -1.5586 -1.5331 -1.5223 -1.4276 -1.2920 -1.2852 -1.0443 -0.9730 -0.9187 -0.8987 -0.8861 -0.8518 -0.7982 -0.6902 -0.6820 -0.5889 -0.5471 -0.5125 -0.3686 1.1677 1.1707 2.3579 2.3707 2.8686 2.8792 3.0358 3.0385 3.3421 3.3507 3.6732 3.6863 4.7927 4.7997 5.1393 5.1772 5.6105 5.6322 6.1449 6.1668 6.4667 6.4942 8.9746 9.0046 9.6134 9.6264 9.7348 9.7358 9.9961 10.0020 10.6726 10.6728 k =-0.1080 0.1403 0.1771 ( 5577 PWs) bands (ev): -5.8183 -5.8177 -3.6334 -3.6265 -3.4091 -3.4082 -3.3431 -3.3421 -1.8553 -1.7346 -1.5851 -1.5533 -1.5324 -1.5221 -1.4226 -1.2961 -1.2842 -1.0556 -0.9708 -0.9149 -0.9004 -0.8856 -0.8479 -0.7940 -0.6881 -0.6772 -0.5931 -0.5518 -0.5193 -0.3877 1.1667 1.1702 2.3572 2.3697 2.8124 2.8228 3.0230 3.0260 3.3238 3.3327 3.6984 3.7135 4.8019 4.8074 5.1466 5.1933 5.6762 5.6898 6.2025 6.2245 6.4934 6.5208 8.8756 8.9074 9.6118 9.6124 9.6232 9.6306 9.9371 9.9445 10.6342 10.6387 k =-0.0990 0.1286 0.1623 ( 5583 PWs) bands (ev): -5.8376 -5.8372 -3.5906 -3.5841 -3.3994 -3.3955 -3.3424 -3.3401 -1.8740 -1.7614 -1.5837 -1.5484 -1.5312 -1.5219 -1.4160 -1.3004 -1.2837 -1.0684 -0.9684 -0.9139 -0.8995 -0.8849 -0.8429 -0.7902 -0.6862 -0.6716 -0.5975 -0.5566 -0.5243 -0.4067 1.1677 1.1718 2.3585 2.3707 2.7587 2.7689 3.0073 3.0103 3.3062 3.3152 3.7233 3.7402 4.8142 4.8181 5.1337 5.1851 5.7635 5.7721 6.2569 6.2784 6.5233 6.5501 8.7789 8.8111 9.4966 9.4975 9.5987 9.6043 9.9086 9.9175 10.5880 10.5961 k =-0.0900 0.1169 0.1476 ( 5579 PWs) bands (ev): -5.8555 -5.8550 -3.5497 -3.5436 -3.3908 -3.3835 -3.3428 -3.3368 -1.8924 -1.7892 -1.5817 -1.5441 -1.5296 -1.5218 -1.4081 -1.3046 -1.2832 -1.0823 -0.9659 -0.9155 -0.8963 -0.8840 -0.8370 -0.7870 -0.6843 -0.6652 -0.6017 -0.5616 -0.5280 -0.4253 1.1707 1.1751 2.3618 2.3736 2.7078 2.7176 2.9892 2.9923 3.2891 3.2980 3.7475 3.7658 4.8294 4.8314 5.1116 5.1642 5.8613 5.8674 6.3076 6.3280 6.5560 6.5814 8.6866 8.7184 9.3871 9.3881 9.5405 9.5444 9.9156 9.9250 10.5380 10.5487 k =-0.0810 0.1052 0.1328 ( 5583 PWs) bands (ev): -5.8718 -5.8714 -3.5109 -3.5054 -3.3834 -3.3722 -3.3431 -3.3331 -1.9102 -1.8171 -1.5792 -1.5405 -1.5279 -1.5216 -1.3995 -1.3089 -1.2828 -1.0971 -0.9634 -0.9181 -0.8925 -0.8830 -0.8305 -0.7845 -0.6822 -0.6583 -0.6055 -0.5666 -0.5309 -0.4437 1.1752 1.1800 2.3669 2.3781 2.6599 2.6693 2.9695 2.9726 3.2726 3.2811 3.7705 3.7898 4.8468 4.8468 5.0868 5.1383 5.9628 5.9674 6.3542 6.3729 6.5906 6.6141 8.6000 8.6307 9.2849 9.2859 9.4609 9.4640 9.9446 9.9535 10.4870 10.4991 k =-0.0720 0.0935 0.1181 ( 5581 PWs) bands (ev): -5.8865 -5.8861 -3.4747 -3.4699 -3.3771 -3.3617 -3.3435 -3.3293 -1.9272 -1.8446 -1.5763 -1.5379 -1.5259 -1.5210 -1.3905 -1.3131 -1.2822 -1.1125 -0.9609 -0.9210 -0.8888 -0.8818 -0.8237 -0.7826 -0.6796 -0.6509 -0.6087 -0.5716 -0.5334 -0.4617 1.1812 1.1861 2.3735 2.3840 2.6154 2.6242 2.9489 2.9518 3.2567 3.2647 3.7921 3.8118 4.8633 4.8657 5.0629 5.1113 6.0635 6.0675 6.3962 6.4128 6.6263 6.6473 8.5202 8.5492 9.1906 9.1917 9.3728 9.3756 9.9831 9.9912 10.4371 10.4495 k =-0.0630 0.0819 0.1033 ( 5585 PWs) bands (ev): -5.8995 -5.8992 -3.4414 -3.4376 -3.3718 -3.3522 -3.3436 -3.3253 -1.9429 -1.8710 -1.5731 -1.5366 -1.5240 -1.5200 -1.3815 -1.3173 -1.2810 -1.1282 -0.9585 -0.9240 -0.8855 -0.8806 -0.8169 -0.7812 -0.6763 -0.6436 -0.6112 -0.5765 -0.5357 -0.4791 1.1880 1.1930 2.3815 2.3911 2.5747 2.5829 2.9280 2.9308 3.2418 3.2492 3.8118 3.8314 4.8800 4.8851 5.0422 5.0854 6.1607 6.1641 6.4337 6.4478 6.6619 6.6800 8.4481 8.4748 9.1052 9.1062 9.2835 9.2861 10.0244 10.0314 10.3898 10.4016 k =-0.0540 0.0702 0.0885 ( 5575 PWs) bands (ev): -5.9109 -5.9106 -3.4116 -3.4090 -3.3674 -3.3461 -3.3409 -3.3214 -1.9570 -1.8958 -1.5697 -1.5364 -1.5220 -1.5186 -1.3728 -1.3212 -1.2788 -1.1440 -0.9561 -0.9269 -0.8825 -0.8793 -0.8102 -0.7803 -0.6720 -0.6366 -0.6130 -0.5813 -0.5379 -0.4956 1.1955 1.2003 2.3903 2.3990 2.5383 2.5456 2.9075 2.9100 3.2282 3.2347 3.8296 3.8483 4.8956 4.9040 5.0257 5.0621 6.2517 6.2548 6.4666 6.4781 6.6959 6.7111 8.3843 8.4083 9.0292 9.0302 9.1974 9.1998 10.0647 10.0706 10.3466 10.3571 k =-0.0450 0.0585 0.0738 ( 5573 PWs) bands (ev): -5.9206 -5.9203 -3.3859 -3.3847 -3.3636 -3.3455 -3.3332 -3.3176 -1.9691 -1.9184 -1.5662 -1.5372 -1.5201 -1.5170 -1.3648 -1.3248 -1.2754 -1.1598 -0.9537 -0.9297 -0.8800 -0.8780 -0.8041 -0.7799 -0.6667 -0.6302 -0.6142 -0.5860 -0.5403 -0.5111 1.2030 1.2074 2.3996 2.4073 2.5065 2.5129 2.8880 2.8903 3.2162 3.2218 3.8452 3.8622 4.9091 4.9212 5.0143 5.0419 6.3341 6.3369 6.4951 6.5041 6.7273 6.7395 8.3296 8.3503 8.9635 8.9644 9.1177 9.1199 10.1016 10.1061 10.3091 10.3176 k =-0.0360 0.0468 0.0590 ( 5571 PWs) bands (ev): -5.9285 -5.9283 -3.3660 -3.3660 -3.3590 -3.3451 -3.3251 -3.3140 -1.9788 -1.9385 -1.5627 -1.5388 -1.5183 -1.5156 -1.3578 -1.3283 -1.2703 -1.1754 -0.9514 -0.9324 -0.8780 -0.8768 -0.7986 -0.7799 -0.6601 -0.6249 -0.6147 -0.5907 -0.5429 -0.5250 1.2102 1.2140 2.4088 2.4152 2.4798 2.4852 2.8704 2.8723 3.2060 3.2106 3.8584 3.8731 4.9197 4.9353 5.0081 5.0259 6.4051 6.4076 6.5197 6.5263 6.7547 6.7642 8.2844 8.3015 8.9087 8.9094 9.0474 9.0493 10.1328 10.1355 10.2789 10.2848 k =-0.0270 0.0351 0.0443 ( 5585 PWs) bands (ev): -5.9347 -5.9346 -3.3595 -3.3550 -3.3467 -3.3423 -3.3171 -3.3105 -1.9857 -1.9557 -1.5592 -1.5409 -1.5168 -1.5145 -1.3520 -1.3315 -1.2635 -1.1907 -0.9492 -0.9351 -0.8765 -0.8759 -0.7939 -0.7804 -0.6525 -0.6214 -0.6147 -0.5958 -0.5455 -0.5365 1.2165 1.2196 2.4171 2.4221 2.4588 2.4631 2.8554 2.8570 3.1980 3.2015 3.8693 3.8810 4.9274 4.9447 5.0061 5.0149 6.4614 6.4638 6.5413 6.5456 6.7774 6.7843 8.2493 8.2624 8.8653 8.8659 8.9892 8.9906 10.1558 10.1563 10.2580 10.2609 k =-0.0180 0.0234 0.0295 ( 5601 PWs) bands (ev): -5.9391 -5.9390 -3.3570 -3.3523 -3.3364 -3.3364 -3.3101 -3.3070 -1.9896 -1.9696 -1.5558 -1.5434 -1.5155 -1.5139 -1.3473 -1.3345 -1.2547 -1.2053 -0.9471 -0.9377 -0.8755 -0.8752 -0.7900 -0.7813 -0.6439 -0.6199 -0.6141 -0.6014 -0.5480 -0.5448 1.2216 1.2237 2.4238 2.4271 2.4441 2.4469 2.8440 2.8452 3.1924 3.1947 3.8777 3.8858 4.9331 4.9482 5.0065 5.0093 6.5000 6.5020 6.5607 6.5630 6.7944 6.7989 8.2246 8.2335 8.8340 8.8344 8.9454 8.9464 10.1670 10.1682 10.2476 10.2479 k =-0.0090 0.0117 0.0148 ( 5611 PWs) bands (ev): -5.9418 -5.9417 -3.3551 -3.3526 -3.3318 -3.3311 -3.3051 -3.3040 -1.9900 -1.9801 -1.5525 -1.5462 -1.5145 -1.5137 -1.3436 -1.3374 -1.2443 -1.2193 -0.9449 -0.9402 -0.8749 -0.8748 -0.7869 -0.7826 -0.6350 -0.6214 -0.6129 -0.6069 -0.5499 -0.5493 1.2250 1.2261 2.4274 2.4287 2.4369 2.4378 2.8370 2.8375 3.1892 3.1904 3.8837 3.8878 4.9380 4.9467 5.0075 5.0079 6.5208 6.5220 6.5760 6.5769 6.8053 6.8075 8.2106 8.2151 8.8151 8.8153 8.9183 8.9189 10.1701 10.1713 10.2445 10.2450 k = 0.0000 0.0000 0.0000 ( 5609 PWs) bands (ev): -5.9427 -5.9427 -3.3536 -3.3536 -3.3299 -3.3299 -3.3031 -3.3031 -1.9869 -1.9869 -1.5492 -1.5492 -1.5139 -1.5139 -1.3403 -1.3403 -1.2324 -1.2324 -0.9425 -0.9425 -0.8746 -0.8746 -0.7844 -0.7844 -0.6268 -0.6268 -0.6108 -0.6108 -0.5507 -0.5507 1.2265 1.2265 2.4278 2.4278 2.4357 2.4357 2.8347 2.8347 3.1885 3.1885 3.8871 3.8871 4.9427 4.9427 5.0079 5.0079 6.5274 6.5274 6.5823 6.5823 6.8097 6.8097 8.2074 8.2074 8.8089 8.8089 8.9093 8.9093 10.1708 10.1708 10.2446 10.2446 k = 0.0000 0.0000 0.0000 ( 5609 PWs) bands (ev): -5.9427 -5.9427 -3.3536 -3.3536 -3.3299 -3.3299 -3.3031 -3.3031 -1.9869 -1.9869 -1.5492 -1.5492 -1.5139 -1.5139 -1.3403 -1.3403 -1.2324 -1.2324 -0.9425 -0.9425 -0.8746 -0.8746 -0.7844 -0.7844 -0.6268 -0.6268 -0.6108 -0.6108 -0.5507 -0.5507 1.2265 1.2265 2.4278 2.4278 2.4357 2.4357 2.8347 2.8347 3.1885 3.1885 3.8871 3.8871 4.9427 4.9427 5.0079 5.0079 6.5274 6.5274 6.5823 6.5823 6.8097 6.8097 8.2074 8.2074 8.8089 8.8089 8.9093 8.9093 10.1708 10.1708 10.2446 10.2446 k = 0.0161 0.0124 0.0000 ( 5617 PWs) bands (ev): -5.9417 -5.9417 -3.3579 -3.3579 -3.3299 -3.3299 -3.3035 -3.3035 -1.9843 -1.9843 -1.5490 -1.5490 -1.5138 -1.5138 -1.3401 -1.3401 -1.2319 -1.2319 -0.9420 -0.9420 -0.8747 -0.8747 -0.7845 -0.7845 -0.6271 -0.6271 -0.6106 -0.6106 -0.5508 -0.5508 1.2246 1.2246 2.4291 2.4291 2.4371 2.4371 2.8377 2.8377 3.1842 3.1842 3.8929 3.8929 4.9442 4.9442 5.0092 5.0092 6.5241 6.5241 6.5788 6.5788 6.8005 6.8005 8.2098 8.2098 8.8107 8.8107 8.9193 8.9193 10.1732 10.1732 10.2466 10.2466 k = 0.0323 0.0248 0.0000 ( 5609 PWs) bands (ev): -5.9387 -5.9387 -3.3709 -3.3709 -3.3299 -3.3299 -3.3043 -3.3043 -1.9768 -1.9768 -1.5484 -1.5484 -1.5134 -1.5134 -1.3392 -1.3392 -1.2303 -1.2303 -0.9405 -0.9405 -0.8749 -0.8749 -0.7845 -0.7845 -0.6279 -0.6279 -0.6101 -0.6101 -0.5511 -0.5511 1.2189 1.2189 2.4331 2.4331 2.4411 2.4411 2.8463 2.8463 3.1718 3.1718 3.9099 3.9099 4.9484 4.9484 5.0134 5.0134 6.5142 6.5142 6.5687 6.5687 6.7736 6.7736 8.2169 8.2169 8.8161 8.8161 8.9488 8.9488 10.1803 10.1803 10.2523 10.2523 k = 0.0484 0.0373 0.0000 ( 5601 PWs) bands (ev): -5.9338 -5.9338 -3.3924 -3.3924 -3.3300 -3.3300 -3.3052 -3.3052 -1.9648 -1.9648 -1.5474 -1.5474 -1.5128 -1.5128 -1.3380 -1.3380 -1.2276 -1.2276 -0.9380 -0.9380 -0.8752 -0.8752 -0.7846 -0.7846 -0.6292 -0.6292 -0.6092 -0.6092 -0.5515 -0.5515 1.2096 1.2096 2.4396 2.4396 2.4477 2.4477 2.8606 2.8606 3.1527 3.1527 3.9367 3.9367 4.9555 4.9555 5.0201 5.0201 6.4978 6.4978 6.5520 6.5520 6.7305 6.7305 8.2287 8.2287 8.8251 8.8251 8.9961 8.9961 10.1912 10.1912 10.2610 10.2610 k = 0.0645 0.0497 0.0000 ( 5597 PWs) bands (ev): -5.9269 -5.9269 -3.4218 -3.4218 -3.3301 -3.3301 -3.3060 -3.3060 -1.9492 -1.9492 -1.5461 -1.5461 -1.5120 -1.5120 -1.3364 -1.3364 -1.2236 -1.2236 -0.9344 -0.9344 -0.8756 -0.8756 -0.7847 -0.7847 -0.6310 -0.6310 -0.6081 -0.6081 -0.5517 -0.5517 1.1969 1.1969 2.4487 2.4487 2.4569 2.4569 2.8800 2.8800 3.1284 3.1284 3.9717 3.9717 4.9652 4.9652 5.0295 5.0295 6.4753 6.4753 6.5292 6.5292 6.6735 6.6735 8.2451 8.2451 8.8378 8.8378 9.0590 9.0590 10.2044 10.2044 10.2716 10.2716 k = 0.0806 0.0621 0.0000 ( 5601 PWs) bands (ev): -5.9181 -5.9181 -3.4584 -3.4584 -3.3302 -3.3302 -3.3068 -3.3068 -1.9308 -1.9308 -1.5446 -1.5446 -1.5110 -1.5110 -1.3347 -1.3347 -1.2183 -1.2182 -0.9300 -0.9300 -0.8761 -0.8761 -0.7849 -0.7849 -0.6333 -0.6333 -0.6070 -0.6070 -0.5513 -0.5513 1.1811 1.1811 2.4603 2.4603 2.4687 2.4687 2.9044 2.9044 3.1007 3.1007 4.0132 4.0132 4.9775 4.9775 5.0413 5.0413 6.4470 6.4470 6.5008 6.5008 6.6052 6.6052 8.2662 8.2662 8.8541 8.8541 9.1349 9.1349 10.2162 10.2162 10.2821 10.2821 k = 0.0968 0.0745 0.0000 ( 5585 PWs) bands (ev): -5.9073 -5.9073 -3.5011 -3.5011 -3.3304 -3.3304 -3.3075 -3.3075 -1.9107 -1.9107 -1.5430 -1.5430 -1.5097 -1.5097 -1.3330 -1.3330 -1.2115 -1.2115 -0.9248 -0.9248 -0.8764 -0.8764 -0.7851 -0.7851 -0.6360 -0.6360 -0.6063 -0.6063 -0.5495 -0.5495 1.1625 1.1625 2.4744 2.4744 2.4830 2.4830 2.9331 2.9331 3.0711 3.0711 4.0595 4.0595 4.9922 4.9922 5.0554 5.0554 6.4131 6.4131 6.4673 6.4673 6.5284 6.5284 8.2919 8.2919 8.8742 8.8742 9.2214 9.2214 10.2012 10.2012 10.2624 10.2624 k = 0.1129 0.0869 0.0000 ( 5601 PWs) bands (ev): -5.8946 -5.8946 -3.5491 -3.5491 -3.3306 -3.3306 -3.3083 -3.3083 -1.8898 -1.8898 -1.5413 -1.5413 -1.5083 -1.5083 -1.3316 -1.3316 -1.2034 -1.2034 -0.9190 -0.9190 -0.8766 -0.8766 -0.7855 -0.7855 -0.6393 -0.6393 -0.6065 -0.6065 -0.5456 -0.5456 1.1414 1.1414 2.4910 2.4910 2.4997 2.4997 2.9656 2.9656 3.0409 3.0409 4.1095 4.1095 5.0091 5.0091 5.0715 5.0715 6.3729 6.3729 6.4293 6.4293 6.4467 6.4467 8.3220 8.3220 8.8980 8.8980 9.3158 9.3158 10.1252 10.1252 10.2600 10.2600 k = 0.1290 0.0993 0.0000 ( 5597 PWs) bands (ev): -5.8799 -5.8799 -3.6014 -3.6014 -3.3308 -3.3308 -3.3090 -3.3090 -1.8687 -1.8687 -1.5398 -1.5398 -1.5067 -1.5067 -1.3306 -1.3306 -1.1939 -1.1939 -0.9131 -0.9131 -0.8762 -0.8762 -0.7861 -0.7861 -0.6428 -0.6428 -0.6078 -0.6078 -0.5385 -0.5385 1.1182 1.1182 2.5098 2.5098 2.5188 2.5188 3.0013 3.0013 3.0111 3.0111 4.1620 4.1620 5.0278 5.0278 5.0892 5.0892 6.3207 6.3207 6.3672 6.3672 6.3888 6.3888 8.3565 8.3565 8.9256 8.9256 9.4160 9.4160 10.0367 10.0367 10.2630 10.2630 k = 0.1452 0.1118 0.0000 ( 5593 PWs) bands (ev): -5.8633 -5.8633 -3.6573 -3.6573 -3.3310 -3.3310 -3.3098 -3.3098 -1.8482 -1.8482 -1.5384 -1.5384 -1.5049 -1.5049 -1.3300 -1.3300 -1.1834 -1.1834 -0.9077 -0.9077 -0.8748 -0.8748 -0.7867 -0.7867 -0.6466 -0.6466 -0.6106 -0.6106 -0.5275 -0.5275 1.0932 1.0932 2.5310 2.5310 2.5401 2.5401 2.9820 2.9820 3.0400 3.0400 4.2162 4.2162 5.0479 5.0479 5.1082 5.1082 6.2435 6.2435 6.3074 6.3074 6.3449 6.3449 8.3952 8.3952 8.9571 8.9571 9.5190 9.5190 9.9480 9.9480 10.2576 10.2576 k = 0.1613 0.1242 0.0000 ( 5593 PWs) bands (ev): -5.8447 -5.8447 -3.7160 -3.7160 -3.3312 -3.3312 -3.3107 -3.3107 -1.8286 -1.8286 -1.5373 -1.5373 -1.5029 -1.5029 -1.3300 -1.3300 -1.1722 -1.1722 -0.9037 -0.9037 -0.8719 -0.8719 -0.7875 -0.7875 -0.6509 -0.6509 -0.6147 -0.6147 -0.5123 -0.5123 1.0667 1.0667 2.5543 2.5543 2.5635 2.5635 2.9550 2.9550 3.0804 3.0804 4.2714 4.2714 5.0691 5.0691 5.1281 5.1281 6.1521 6.1521 6.2578 6.2578 6.2995 6.2995 8.4379 8.4379 8.9925 8.9925 9.6197 9.6197 9.8649 9.8649 10.2393 10.2393 k = 0.1774 0.1366 0.0000 ( 5593 PWs) bands (ev): -5.8243 -5.8243 -3.7771 -3.7771 -3.3315 -3.3315 -3.3116 -3.3116 -1.8102 -1.8102 -1.5365 -1.5365 -1.5007 -1.5007 -1.3305 -1.3305 -1.1606 -1.1606 -0.9014 -0.9014 -0.8673 -0.8673 -0.7885 -0.7885 -0.6554 -0.6554 -0.6199 -0.6199 -0.4926 -0.4926 1.0389 1.0389 2.5796 2.5796 2.5890 2.5890 2.9302 2.9302 3.1222 3.1222 4.3270 4.3270 5.0907 5.0907 5.1480 5.1480 6.0569 6.0569 6.2101 6.2101 6.2536 6.2536 8.4844 8.4844 9.0320 9.0320 9.6881 9.6881 9.8167 9.8167 10.2050 10.2051 k = 0.1935 0.1490 0.0000 ( 5605 PWs) bands (ev): -5.8019 -5.8019 -3.8400 -3.8400 -3.3317 -3.3317 -3.3125 -3.3125 -1.7930 -1.7930 -1.5362 -1.5362 -1.4983 -1.4983 -1.3316 -1.3316 -1.1490 -1.1490 -0.9008 -0.9008 -0.8618 -0.8618 -0.7896 -0.7896 -0.6601 -0.6601 -0.6262 -0.6262 -0.4683 -0.4683 1.0102 1.0102 2.6068 2.6068 2.6163 2.6163 2.9081 2.9081 3.1646 3.1646 4.3824 4.3824 5.1119 5.1119 5.1674 5.1674 5.9610 5.9610 6.1636 6.1636 6.2084 6.2084 8.5346 8.5346 9.0754 9.0754 9.6491 9.6491 9.8775 9.8775 10.1519 10.1519 k = 0.2097 0.1614 0.0000 ( 5605 PWs) bands (ev): -5.7777 -5.7777 -3.9042 -3.9042 -3.3320 -3.3320 -3.3135 -3.3135 -1.7772 -1.7772 -1.5363 -1.5363 -1.4957 -1.4957 -1.3331 -1.3331 -1.1376 -1.1376 -0.9014 -0.9014 -0.8559 -0.8559 -0.7907 -0.7907 -0.6650 -0.6650 -0.6330 -0.6330 -0.4393 -0.4393 0.9806 0.9806 2.6357 2.6357 2.6453 2.6453 2.8891 2.8891 3.2069 3.2069 4.4374 4.4374 5.1320 5.1320 5.1853 5.1853 5.8660 5.8660 6.1190 6.1190 6.1651 6.1651 8.5881 8.5881 9.1228 9.1228 9.5730 9.5730 9.9756 9.9756 10.0843 10.0843 k = 0.2258 0.1738 0.0000 ( 5597 PWs) bands (ev): -5.7516 -5.7516 -3.9695 -3.9695 -3.3322 -3.3322 -3.3145 -3.3145 -1.7625 -1.7625 -1.5368 -1.5368 -1.4928 -1.4928 -1.3351 -1.3351 -1.1265 -1.1265 -0.9026 -0.9026 -0.8504 -0.8504 -0.7919 -0.7919 -0.6700 -0.6700 -0.6403 -0.6403 -0.4059 -0.4059 0.9504 0.9504 2.6662 2.6662 2.6759 2.6759 2.8735 2.8735 3.2483 3.2483 4.4914 4.4914 5.1497 5.1497 5.2006 5.2006 5.7729 5.7729 6.0775 6.0775 6.1252 6.1252 8.6446 8.6446 9.1741 9.1741 9.4938 9.4938 10.0027 10.0027 10.0227 10.0227 k = 0.2419 0.1863 0.0000 ( 5601 PWs) bands (ev): -5.7236 -5.7236 -4.0355 -4.0355 -3.3324 -3.3324 -3.3155 -3.3155 -1.7490 -1.7490 -1.5379 -1.5379 -1.4896 -1.4896 -1.3375 -1.3375 -1.1160 -1.1160 -0.9045 -0.9045 -0.8456 -0.8456 -0.7931 -0.7931 -0.6752 -0.6752 -0.6480 -0.6480 -0.3685 -0.3685 0.9197 0.9197 2.6981 2.6981 2.7077 2.7077 2.8616 2.8616 3.2880 3.2880 4.5440 4.5440 5.1639 5.1639 5.2120 5.2120 5.6826 5.6826 6.0405 6.0405 6.0900 6.0900 8.7038 8.7038 9.2291 9.2291 9.4164 9.4164 9.9175 9.9175 9.9403 9.9403 k = 0.2581 0.1987 0.0000 ( 5593 PWs) bands (ev): -5.6938 -5.6938 -4.1019 -4.1019 -3.3326 -3.3326 -3.3165 -3.3165 -1.7365 -1.7365 -1.5395 -1.5395 -1.4862 -1.4862 -1.3402 -1.3402 -1.1060 -1.1060 -0.9067 -0.9067 -0.8418 -0.8418 -0.7942 -0.7942 -0.6804 -0.6804 -0.6559 -0.6559 -0.3276 -0.3276 0.8885 0.8885 2.7311 2.7311 2.7407 2.7407 2.8534 2.8534 3.3252 3.3252 4.5951 4.5951 5.1734 5.1734 5.2184 5.2184 5.5962 5.5962 6.0097 6.0097 6.0611 6.0611 8.7653 8.7653 9.2871 9.2871 9.3422 9.3422 9.8263 9.8263 9.8518 9.8518 k = 0.2742 0.2111 0.0000 ( 5589 PWs) bands (ev): -5.6622 -5.6622 -4.1685 -4.1685 -3.3328 -3.3328 -3.3176 -3.3176 -1.7249 -1.7249 -1.5415 -1.5415 -1.4826 -1.4826 -1.3433 -1.3432 -1.0964 -1.0964 -0.9092 -0.9092 -0.8389 -0.8389 -0.7951 -0.7951 -0.6857 -0.6857 -0.6639 -0.6639 -0.2839 -0.2839 0.8570 0.8570 2.7649 2.7649 2.7746 2.7746 2.8494 2.8494 3.3589 3.3589 4.6442 4.6442 5.1769 5.1769 5.2186 5.2186 5.5143 5.5143 5.9864 5.9864 6.0395 6.0395 8.8287 8.8287 9.2712 9.2712 9.3477 9.3477 9.7324 9.7324 9.7599 9.7599 k = 0.2903 0.2235 0.0000 ( 5581 PWs) bands (ev): -5.6288 -5.6288 -4.2352 -4.2352 -3.3329 -3.3329 -3.3187 -3.3187 -1.7141 -1.7141 -1.5439 -1.5439 -1.4786 -1.4786 -1.3466 -1.3466 -1.0873 -1.0873 -0.9121 -0.9121 -0.8369 -0.8369 -0.7957 -0.7957 -0.6910 -0.6910 -0.6720 -0.6720 -0.2378 -0.2378 0.8252 0.8252 2.7993 2.7993 2.8089 2.8089 2.8496 2.8496 3.3882 3.3882 4.6911 4.6911 5.1738 5.1738 5.2119 5.2119 5.4379 5.4379 5.9718 5.9718 6.0260 6.0260 8.8934 8.8934 9.2050 9.2050 9.4077 9.4077 9.6375 9.6375 9.6666 9.6666 k = 0.3065 0.2359 0.0000 ( 5581 PWs) bands (ev): -5.5935 -5.5935 -4.3016 -4.3016 -3.3330 -3.3330 -3.3197 -3.3197 -1.7039 -1.7039 -1.5469 -1.5469 -1.4744 -1.4744 -1.3503 -1.3503 -1.0786 -1.0786 -0.9153 -0.9153 -0.8357 -0.8357 -0.7961 -0.7961 -0.6964 -0.6964 -0.6799 -0.6799 -0.1901 -0.1901 0.7931 0.7931 2.8334 2.8334 2.8434 2.8434 2.8548 2.8548 3.4123 3.4123 4.7355 4.7355 5.1637 5.1637 5.1981 5.1981 5.3678 5.3678 5.9661 5.9661 6.0208 6.0208 8.9587 8.9587 9.1434 9.1434 9.4626 9.4626 9.5436 9.5436 9.5737 9.5737 k = 0.3226 0.2484 0.0000 ( 5585 PWs) bands (ev): -5.5566 -5.5566 -4.3677 -4.3677 -3.3331 -3.3331 -3.3208 -3.3208 -1.6943 -1.6943 -1.5503 -1.5503 -1.4700 -1.4700 -1.3543 -1.3543 -1.0702 -1.0702 -0.9189 -0.9189 -0.8351 -0.8351 -0.7965 -0.7965 -0.7018 -0.7018 -0.6875 -0.6875 -0.1413 -0.1413 0.7607 0.7607 2.8590 2.8590 2.8721 2.8721 2.8784 2.8784 3.4302 3.4302 4.7773 4.7773 5.1471 5.1471 5.1778 5.1778 5.3046 5.3046 5.9690 5.9690 6.0233 6.0233 9.0236 9.0236 9.0871 9.0871 9.4509 9.4509 9.4777 9.4777 9.5087 9.5087 k = 0.3387 0.2608 0.0000 ( 5573 PWs) bands (ev): -5.5179 -5.5179 -4.4333 -4.4333 -3.3331 -3.3331 -3.3219 -3.3219 -1.6852 -1.6852 -1.5540 -1.5540 -1.4653 -1.4653 -1.3584 -1.3584 -1.0620 -1.0620 -0.9229 -0.9229 -0.8347 -0.8347 -0.7966 -0.7966 -0.7070 -0.7070 -0.6946 -0.6946 -0.0918 -0.0918 0.7279 0.7279 2.8736 2.8736 2.9050 2.9050 2.9124 2.9124 3.4412 3.4412 4.8160 4.8160 5.1251 5.1251 5.1522 5.1522 5.2490 5.2490 5.9796 5.9796 6.0325 6.0325 9.0355 9.0355 9.0866 9.0866 9.3628 9.3628 9.3916 9.3916 9.5179 9.5179 k = 0.3548 0.2732 0.0000 ( 5577 PWs) bands (ev): -5.4774 -5.4774 -4.4984 -4.4984 -3.3331 -3.3331 -3.3229 -3.3229 -1.6764 -1.6764 -1.5582 -1.5582 -1.4604 -1.4604 -1.3629 -1.3629 -1.0540 -1.0540 -0.9274 -0.9274 -0.8344 -0.8344 -0.7970 -0.7970 -0.7124 -0.7124 -0.7012 -0.7012 -0.0422 -0.0422 0.6949 0.6949 2.8909 2.8909 2.9384 2.9384 2.9455 2.9455 3.4448 3.4448 4.8517 4.8517 5.0992 5.0992 5.1228 5.1228 5.2011 5.2011 5.9962 5.9962 6.0468 6.0468 8.9906 8.9906 9.1415 9.1415 9.2797 9.2797 9.3074 9.3074 9.4978 9.4978 k = 0.3710 0.2856 0.0000 ( 5581 PWs) bands (ev): -5.4353 -5.4353 -4.5627 -4.5627 -3.3331 -3.3331 -3.3239 -3.3239 -1.6680 -1.6680 -1.5628 -1.5628 -1.4554 -1.4554 -1.3675 -1.3675 -1.0462 -1.0462 -0.9324 -0.9324 -0.8340 -0.8340 -0.7975 -0.7975 -0.7175 -0.7175 -0.7071 -0.7071 0.0071 0.0071 0.6613 0.6613 2.9122 2.9122 2.9706 2.9706 2.9772 2.9772 3.4408 3.4408 4.8840 4.8840 5.0710 5.0710 5.0912 5.0912 5.1610 5.1610 6.0172 6.0172 6.0645 6.0645 8.9518 8.9518 9.1702 9.1702 9.2083 9.2083 9.2321 9.2321 9.4697 9.4697 k = 0.3871 0.2980 0.0000 ( 5573 PWs) bands (ev): -5.3915 -5.3915 -4.6262 -4.6262 -3.3329 -3.3329 -3.3249 -3.3249 -1.6599 -1.6599 -1.5676 -1.5676 -1.4501 -1.4501 -1.3723 -1.3723 -1.0384 -1.0384 -0.9377 -0.9377 -0.8332 -0.8332 -0.7983 -0.7983 -0.7224 -0.7224 -0.7124 -0.7124 0.0559 0.0559 0.6274 0.6274 2.9374 2.9374 3.0010 3.0010 3.0071 3.0071 3.4292 3.4292 4.9129 4.9129 5.0421 5.0421 5.0592 5.0592 5.1284 5.1284 6.0408 6.0408 6.0842 6.0842 8.9195 8.9195 9.1215 9.1215 9.1481 9.1481 9.2025 9.2025 9.4666 9.4666 k = 0.4032 0.3104 0.0000 ( 5573 PWs) bands (ev): -5.3462 -5.3462 -4.6888 -4.6888 -3.3328 -3.3328 -3.3258 -3.3258 -1.6521 -1.6521 -1.5728 -1.5728 -1.4447 -1.4447 -1.3774 -1.3774 -1.0307 -1.0307 -0.9435 -0.9435 -0.8321 -0.8321 -0.7996 -0.7996 -0.7266 -0.7266 -0.7171 -0.7171 0.1040 0.1040 0.5928 0.5928 2.9663 2.9663 3.0292 3.0292 3.0344 3.0344 3.4105 3.4105 4.9381 4.9381 5.0142 5.0142 5.0282 5.0282 5.1025 5.1025 6.0655 6.0655 6.1042 6.1042 8.8943 8.8943 9.0589 9.0589 9.0824 9.0824 9.1703 9.1703 9.5006 9.5006 k = 0.4194 0.3229 0.0000 ( 5580 PWs) bands (ev): -5.2992 -5.2992 -4.7505 -4.7505 -3.3325 -3.3325 -3.3267 -3.3267 -1.6445 -1.6445 -1.5783 -1.5783 -1.4392 -1.4392 -1.3826 -1.3826 -1.0230 -1.0230 -0.9497 -0.9497 -0.8305 -0.8305 -0.8014 -0.8014 -0.7302 -0.7302 -0.7212 -0.7212 0.1510 0.1510 0.5576 0.5576 2.9986 2.9986 3.0544 3.0544 3.0588 3.0588 3.3852 3.3852 4.9587 4.9587 4.9893 4.9893 4.9998 4.9998 5.0824 5.0824 6.0898 6.0898 6.1232 6.1232 8.8762 8.8762 9.0033 9.0033 9.0234 9.0234 9.1220 9.1220 9.5580 9.5580 k = 0.4355 0.3353 0.0000 ( 5580 PWs) bands (ev): -5.2506 -5.2506 -4.8111 -4.8111 -3.3322 -3.3322 -3.3276 -3.3276 -1.6370 -1.6370 -1.5841 -1.5841 -1.4335 -1.4335 -1.3880 -1.3880 -1.0154 -1.0154 -0.9563 -0.9563 -0.8285 -0.8285 -0.8037 -0.8037 -0.7328 -0.7328 -0.7248 -0.7248 0.1970 0.1970 0.5217 0.5217 3.0339 3.0339 3.0763 3.0763 3.0797 3.0797 3.3544 3.3544 4.9610 4.9610 4.9722 4.9722 4.9853 4.9853 5.0672 5.0672 6.1123 6.1123 6.1398 6.1398 8.8657 8.8657 8.9568 8.9568 8.9730 8.9730 9.0700 9.0700 9.6264 9.6264 k = 0.4516 0.3477 0.0000 ( 5588 PWs) bands (ev): -5.2006 -5.2006 -4.8706 -4.8706 -3.3319 -3.3319 -3.3284 -3.3284 -1.6298 -1.6298 -1.5900 -1.5900 -1.4279 -1.4279 -1.3935 -1.3935 -1.0077 -1.0077 -0.9632 -0.9632 -0.8260 -0.8260 -0.8065 -0.8065 -0.7345 -0.7345 -0.7281 -0.7281 0.2418 0.2418 0.4849 0.4849 3.0710 3.0710 3.0946 3.0946 3.0967 3.0967 3.3191 3.3191 4.9446 4.9446 4.9522 4.9522 4.9978 4.9978 5.0555 5.0555 6.1320 6.1320 6.1531 6.1531 8.8626 8.8626 8.9206 8.9206 8.9322 8.9322 9.0205 9.0205 9.7002 9.7002 k = 0.4677 0.3601 0.0000 ( 5616 PWs) bands (ev): -5.1490 -5.1490 -4.9288 -4.9288 -3.3315 -3.3315 -3.3291 -3.3291 -1.6228 -1.6228 -1.5963 -1.5963 -1.4222 -1.4222 -1.3992 -1.3992 -1.0001 -1.0001 -0.9704 -0.9704 -0.8233 -0.8233 -0.8098 -0.8098 -0.7354 -0.7354 -0.7308 -0.7308 0.2853 0.2853 0.4472 0.4472 3.1021 3.1021 3.1079 3.1079 3.1177 3.1177 3.2805 3.2805 4.9315 4.9315 4.9364 4.9364 5.0103 5.0103 5.0462 5.0462 6.1478 6.1478 6.1621 6.1621 8.8659 8.8659 8.8960 8.8960 8.9025 8.9025 8.9764 8.9764 9.7772 9.7772 k = 0.4839 0.3725 0.0000 ( 5620 PWs) bands (ev): -5.0960 -5.0960 -4.9859 -4.9859 -3.3310 -3.3310 -3.3298 -3.3298 -1.6160 -1.6160 -1.6027 -1.6027 -1.4164 -1.4164 -1.4049 -1.4049 -0.9926 -0.9926 -0.9776 -0.9776 -0.8200 -0.8200 -0.8132 -0.8132 -0.7353 -0.7353 -0.7329 -0.7329 0.3275 0.3275 0.4084 0.4084 3.1134 3.1134 3.1151 3.1151 3.1561 3.1561 3.2397 3.2397 4.9237 4.9237 4.9261 4.9261 5.0208 5.0208 5.0380 5.0380 6.1591 6.1591 6.1663 6.1663 8.8695 8.8695 8.8798 8.8798 8.8939 8.8939 8.9393 8.9393 9.8559 9.8559 k = 0.5000 0.3849 0.0000 ( 5620 PWs) bands (ev): -5.0416 -5.0416 -5.0416 -5.0416 -3.3304 -3.3304 -3.3304 -3.3304 -1.6092 -1.6092 -1.6092 -1.6092 -1.4106 -1.4106 -1.4106 -1.4106 -0.9851 -0.9851 -0.9851 -0.9851 -0.8167 -0.8167 -0.8167 -0.8167 -0.7345 -0.7345 -0.7345 -0.7345 0.3686 0.3686 0.3686 0.3686 3.1171 3.1171 3.1171 3.1171 3.1979 3.1979 3.1979 3.1979 4.9219 4.9219 4.9219 4.9219 5.0298 5.0298 5.0298 5.0298 6.1653 6.1653 6.1653 6.1653 8.8709 8.8709 8.8709 8.8709 8.9107 8.9107 8.9107 8.9107 9.9356 9.9356 k = 0.5000 0.3849 0.0000 ( 5620 PWs) bands (ev): -5.0416 -5.0416 -5.0416 -5.0416 -3.3304 -3.3304 -3.3304 -3.3304 -1.6092 -1.6092 -1.6092 -1.6092 -1.4106 -1.4106 -1.4106 -1.4106 -0.9851 -0.9851 -0.9851 -0.9851 -0.8167 -0.8167 -0.8167 -0.8167 -0.7345 -0.7345 -0.7345 -0.7345 0.3686 0.3686 0.3686 0.3686 3.1171 3.1171 3.1171 3.1171 3.1979 3.1979 3.1979 3.1979 4.9219 4.9219 4.9219 4.9219 5.0298 5.0298 5.0298 5.0298 6.1653 6.1653 6.1653 6.1653 8.8709 8.8709 8.8709 8.8709 8.9107 8.9107 8.9107 8.9107 9.9356 9.9356 k = 0.4912 0.3964 0.0144 ( 5608 PWs) bands (ev): -5.0419 -5.0416 -5.0408 -5.0407 -3.3324 -3.3314 -3.3310 -3.3294 -1.6132 -1.6101 -1.6083 -1.6053 -1.4178 -1.4128 -1.4095 -1.4040 -0.9912 -0.9904 -0.9792 -0.9791 -0.8207 -0.8187 -0.8153 -0.8127 -0.7455 -0.7345 -0.7338 -0.7247 0.3665 0.3694 0.3715 0.3767 3.1017 3.1094 3.1169 3.1169 3.1939 3.1940 3.2060 3.2126 4.8891 4.9011 4.9236 4.9246 5.0276 5.0289 5.0487 5.0607 6.1603 6.1613 6.1650 6.1714 8.8267 8.8313 8.8742 8.8768 8.9114 8.9115 8.9491 8.9568 9.9411 9.9419 k = 0.4824 0.4078 0.0288 ( 5608 PWs) bands (ev): -5.0423 -5.0418 -5.0382 -5.0379 -3.3367 -3.3339 -3.3325 -3.3286 -1.6175 -1.6109 -1.6075 -1.6018 -1.4257 -1.4158 -1.4097 -1.3978 -0.9976 -0.9953 -0.9734 -0.9731 -0.8251 -0.8217 -0.8145 -0.8088 -0.7568 -0.7341 -0.7328 -0.7167 0.3634 0.3691 0.3853 0.3953 3.0755 3.0864 3.1155 3.1157 3.1828 3.1829 3.2295 3.2381 4.8351 4.8498 4.9295 4.9314 5.0225 5.0248 5.0943 5.1089 6.1465 6.1488 6.1699 6.1828 8.7733 8.7766 8.8756 8.8795 8.9243 8.9261 9.0040 9.0136 9.9586 9.9602 k = 0.4736 0.4192 0.0433 ( 5604 PWs) bands (ev): -5.0431 -5.0423 -5.0338 -5.0333 -3.3433 -3.3392 -3.3338 -3.3279 -1.6219 -1.6116 -1.6066 -1.5985 -1.4343 -1.4194 -1.4113 -1.3919 -1.0039 -0.9997 -0.9682 -0.9666 -0.8306 -0.8252 -0.8143 -0.8050 -0.7674 -0.7330 -0.7314 -0.7108 0.3591 0.3676 0.4096 0.4239 3.0459 3.0584 3.1132 3.1136 3.1648 3.1651 3.2582 3.2670 4.7750 4.7903 4.9385 4.9415 5.0149 5.0178 5.1447 5.1599 6.1244 6.1277 6.1804 6.1993 8.7208 8.7225 8.8786 8.8838 8.9466 8.9498 9.0608 9.0713 9.9880 9.9902 k = 0.4648 0.4306 0.0577 ( 5596 PWs) bands (ev): -5.0441 -5.0431 -5.0276 -5.0270 -3.3521 -3.3468 -3.3351 -3.3273 -1.6265 -1.6122 -1.6059 -1.5957 -1.4434 -1.4234 -1.4144 -1.3862 -1.0102 -1.0035 -0.9634 -0.9600 -0.8382 -0.8286 -0.8145 -0.8014 -0.7760 -0.7313 -0.7296 -0.7069 0.3538 0.3649 0.4440 0.4615 3.0153 3.0287 3.1100 3.1101 3.1406 3.1415 3.2885 3.2971 4.7121 4.7275 4.9491 4.9536 5.0055 5.0082 5.1956 5.2108 6.0943 6.0988 6.1960 6.2205 8.6709 8.6712 8.8837 8.8902 8.9776 8.9820 9.1185 9.1291 10.0286 10.0314 k = 0.4560 0.4421 0.0721 ( 5596 PWs) bands (ev): -5.0454 -5.0443 -5.0197 -5.0189 -3.3629 -3.3565 -3.3365 -3.3269 -1.6314 -1.6125 -1.6052 -1.5935 -1.4530 -1.4278 -1.4188 -1.3807 -1.0163 -1.0068 -0.9592 -0.9533 -0.8478 -0.8317 -0.8152 -0.7980 -0.7824 -0.7288 -0.7275 -0.7047 0.3474 0.3609 0.4875 0.5073 2.9845 2.9987 3.1017 3.1040 3.1129 3.1164 3.3195 3.3276 4.6475 4.6628 4.9586 4.9660 4.9958 4.9965 5.2464 5.2613 6.0571 6.0626 6.2164 6.2458 8.6239 8.6248 8.8917 8.8994 9.0169 9.0224 9.1770 9.1873 10.0799 10.0831 k = 0.4472 0.4535 0.0865 ( 5596 PWs) bands (ev): -5.0472 -5.0458 -5.0099 -5.0090 -3.3756 -3.3683 -3.3380 -3.3266 -1.6364 -1.6126 -1.6047 -1.5920 -1.4628 -1.4323 -1.4245 -1.3751 -1.0221 -1.0096 -0.9557 -0.9466 -0.8588 -0.8345 -0.8163 -0.7949 -0.7868 -0.7255 -0.7250 -0.7038 0.3400 0.3556 0.5390 0.5603 2.9540 2.9688 3.0741 3.0755 3.1021 3.1052 3.3507 3.3583 4.5819 4.5970 4.9619 4.9765 4.9836 4.9898 5.2971 5.3118 6.0133 6.0199 6.2412 6.2749 8.5816 8.5833 8.9031 8.9118 9.0638 9.0701 9.2366 9.2460 10.1412 10.1446 k = 0.4384 0.4649 0.1009 ( 5606 PWs) bands (ev): -5.0495 -5.0479 -4.9985 -4.9974 -3.3900 -3.3820 -3.3396 -3.3264 -1.6417 -1.6123 -1.6043 -1.5912 -1.4727 -1.4370 -1.4312 -1.3695 -1.0277 -1.0120 -0.9528 -0.9401 -0.8699 -0.8369 -0.8179 -0.7921 -0.7897 -0.7221 -0.7216 -0.7039 0.3314 0.3489 0.5976 0.6195 2.9241 2.9395 3.0377 3.0383 3.0955 3.0983 3.3819 3.3890 4.5158 4.5306 4.9547 4.9683 4.9851 4.9904 5.3482 5.3627 5.9640 5.9715 6.2697 6.3070 8.5449 8.5473 8.9185 8.9281 9.1176 9.1246 9.2976 9.3055 10.2117 10.2149 k = 0.4296 0.4763 0.1153 ( 5600 PWs) bands (ev): -5.0523 -5.0506 -4.9853 -4.9840 -3.4057 -3.3972 -3.3412 -3.3263 -1.6470 -1.6115 -1.6039 -1.5913 -1.4823 -1.4417 -1.4384 -1.3638 -1.0329 -1.0139 -0.9505 -0.9338 -0.8803 -0.8390 -0.8200 -0.7915 -0.7895 -0.7188 -0.7171 -0.7043 0.3217 0.3408 0.6620 0.6839 2.8950 2.9110 2.9984 2.9986 3.0880 3.0908 3.4130 3.4195 4.4495 4.4639 4.9425 4.9537 4.9877 4.9913 5.4001 5.4144 5.9099 5.9183 6.3014 6.3416 8.5143 8.5171 8.9383 8.9487 9.1775 9.1847 9.3598 9.3658 10.2904 10.2930 k = 0.4208 0.4878 0.1298 ( 5614 PWs) bands (ev): -5.0558 -5.0539 -4.9703 -4.9689 -3.4227 -3.4138 -3.3428 -3.3263 -1.6526 -1.6104 -1.6037 -1.5924 -1.4915 -1.4466 -1.4460 -1.3579 -1.0378 -1.0157 -0.9490 -0.9279 -0.8894 -0.8408 -0.8225 -0.7927 -0.7873 -0.7151 -0.7132 -0.7036 0.3109 0.3313 0.7312 0.7525 2.8672 2.8836 2.9576 2.9578 3.0791 3.0821 3.4440 3.4499 4.3834 4.3975 4.9294 4.9392 4.9844 4.9878 5.4529 5.4671 5.8518 5.8612 6.3355 6.3781 8.4902 8.4932 8.9628 8.9739 9.2426 9.2497 9.4233 9.4270 10.3765 10.3777 k = 0.4120 0.4992 0.1442 ( 5612 PWs) bands (ev): -5.0601 -5.0581 -4.9536 -4.9521 -3.4404 -3.4314 -3.3444 -3.3265 -1.6581 -1.6086 -1.6036 -1.5945 -1.5002 -1.4535 -1.4513 -1.3518 -1.0423 -1.0173 -0.9481 -0.9224 -0.8970 -0.8423 -0.8256 -0.7934 -0.7852 -0.7118 -0.7110 -0.6997 0.2990 0.3202 0.8040 0.8244 2.8407 2.8575 2.9165 2.9170 3.0687 3.0719 3.4747 3.4800 4.3179 4.3316 4.9166 4.9256 4.9742 4.9782 5.5067 5.5209 5.7908 5.8009 6.3715 6.4158 8.4727 8.4757 8.9923 9.0039 9.3116 9.3183 9.4877 9.4888 10.4674 10.4687 k = 0.4032 0.5106 0.1586 ( 5612 PWs) bands (ev): -5.0652 -5.0632 -4.9353 -4.9335 -3.4588 -3.4498 -3.3461 -3.3267 -1.6636 -1.6062 -1.6037 -1.5974 -1.5082 -1.4607 -1.4561 -1.3456 -1.0465 -1.0188 -0.9480 -0.9173 -0.9027 -0.8436 -0.8292 -0.7937 -0.7835 -0.7123 -0.7064 -0.6930 0.2860 0.3075 0.8794 0.8984 2.8158 2.8329 2.8763 2.8772 3.0568 3.0603 3.5050 3.5098 4.2533 4.2666 4.9048 4.9135 4.9567 4.9622 5.5610 5.5753 5.7276 5.7385 6.4086 6.4541 8.4617 8.4647 9.0268 9.0389 9.3834 9.3893 9.5509 9.5526 10.5597 10.5655 k = 0.3945 0.5220 0.1730 ( 5608 PWs) bands (ev): -5.0715 -5.0694 -4.9152 -4.9133 -3.4773 -3.4686 -3.3477 -3.3270 -1.6689 -1.6046 -1.6031 -1.6004 -1.5156 -1.4674 -1.4608 -1.3393 -1.0503 -1.0204 -0.9484 -0.9129 -0.9066 -0.8446 -0.8333 -0.7938 -0.7819 -0.7132 -0.7014 -0.6851 0.2719 0.2933 0.9560 0.9736 2.7928 2.8099 2.8384 2.8395 3.0433 3.0470 3.5349 3.5392 4.1898 4.2027 4.8941 4.9032 4.9322 4.9400 5.6136 5.6287 5.6649 5.6760 6.4461 6.4922 8.4571 8.4599 9.0662 9.0788 9.4564 9.4610 9.6127 9.6173 10.6496 10.6622 k = 0.3857 0.5335 0.1874 ( 5614 PWs) bands (ev): -5.0788 -5.0767 -4.8935 -4.8915 -3.4958 -3.4874 -3.3493 -3.3274 -1.6739 -1.6078 -1.6019 -1.5995 -1.5223 -1.4737 -1.4654 -1.3329 -1.0539 -1.0221 -0.9493 -0.9091 -0.9091 -0.8453 -0.8378 -0.7937 -0.7808 -0.7140 -0.6961 -0.6764 0.2568 0.2774 1.0327 1.0486 2.7719 2.7884 2.8043 2.8053 3.0280 3.0320 3.5642 3.5679 4.1278 4.1403 4.8820 4.8932 4.9029 4.9149 5.5931 5.6067 5.6745 5.6877 6.4833 6.5294 8.4586 8.4612 9.1106 9.1234 9.5289 9.5319 9.6735 9.6809 10.7278 10.7361 k = 0.3769 0.5449 0.2019 ( 5616 PWs) bands (ev): -5.0875 -5.0854 -4.8702 -4.8679 -3.5139 -3.5060 -3.3509 -3.3279 -1.6785 -1.6126 -1.6023 -1.5952 -1.5283 -1.4794 -1.4699 -1.3264 -1.0573 -1.0239 -0.9505 -0.9103 -0.9060 -0.8459 -0.8427 -0.7934 -0.7800 -0.7145 -0.6903 -0.6671 0.2406 0.2599 1.1081 1.1221 2.7531 2.7670 2.7758 2.7769 3.0111 3.0154 3.5927 3.5959 4.0674 4.0796 4.8580 4.8603 4.8927 4.8979 5.5280 5.5420 5.7276 5.7413 6.5194 6.5650 8.4658 8.4682 9.1595 9.1726 9.5989 9.6000 9.7325 9.7423 10.7669 10.7843 k = 0.3681 0.5563 0.2163 ( 5610 PWs) bands (ev): -5.0975 -5.0954 -4.8453 -4.8428 -3.5312 -3.5241 -3.3524 -3.3285 -1.6825 -1.6180 -1.6025 -1.5903 -1.5337 -1.4846 -1.4742 -1.3199 -1.0604 -1.0257 -0.9517 -0.9104 -0.9036 -0.8479 -0.8461 -0.7930 -0.7797 -0.7145 -0.6841 -0.6573 0.2235 0.2407 1.1806 1.1928 2.7366 2.7457 2.7525 2.7578 2.9924 2.9971 3.6202 3.6229 4.0091 4.0209 4.8161 4.8189 4.8911 4.8935 5.4624 5.4770 5.7806 5.7942 6.5536 6.5983 8.4784 8.4805 9.2127 9.2259 9.6632 9.6643 9.7885 9.8002 10.7909 10.8256 k = 0.3593 0.5677 0.2307 ( 5604 PWs) bands (ev): -5.1090 -5.1070 -4.8188 -4.8161 -3.5475 -3.5412 -3.3539 -3.3291 -1.6860 -1.6234 -1.6027 -1.5846 -1.5386 -1.4894 -1.4783 -1.3133 -1.0635 -1.0276 -0.9529 -0.9097 -0.9021 -0.8531 -0.8462 -0.7924 -0.7799 -0.7142 -0.6775 -0.6472 0.2054 0.2198 1.2487 1.2589 2.7227 2.7299 2.7371 2.7434 2.9722 2.9772 3.6465 3.6487 3.9530 3.9645 4.7661 4.7715 4.8934 4.8953 5.3975 5.4129 5.8319 5.8454 6.5853 6.6285 8.4960 8.4978 9.2695 9.2828 9.7197 9.7230 9.8406 9.8531 10.8219 10.8655 k = 0.3505 0.5792 0.2451 ( 5600 PWs) bands (ev): -5.1221 -5.1202 -4.7907 -4.7879 -3.5626 -3.5572 -3.3552 -3.3297 -1.6889 -1.6286 -1.6030 -1.5784 -1.5429 -1.4939 -1.4822 -1.3070 -1.0665 -1.0294 -0.9542 -0.9084 -0.9017 -0.8583 -0.8461 -0.7918 -0.7806 -0.7135 -0.6707 -0.6370 0.1865 0.1974 1.3105 1.3187 2.7114 2.7224 2.7310 2.7327 2.9506 2.9560 3.6712 3.6729 3.8993 3.9105 4.7113 4.7184 4.8996 4.9017 5.3341 5.3502 5.8809 5.8940 6.6137 6.6551 8.5181 8.5195 9.3293 9.3426 9.7682 9.7735 9.8875 9.8996 10.8640 10.9121 k = 0.3417 0.5906 0.2595 ( 5596 PWs) bands (ev): -5.1368 -5.1351 -4.7612 -4.7581 -3.5761 -3.5717 -3.3565 -3.3304 -1.6911 -1.6334 -1.6034 -1.5717 -1.5467 -1.4981 -1.4857 -1.3009 -1.0696 -1.0311 -0.9554 -0.9067 -0.9026 -0.8630 -0.8458 -0.7910 -0.7819 -0.7124 -0.6637 -0.6266 0.1667 0.1733 1.3643 1.3706 2.7027 2.7196 2.7306 2.7360 2.9278 2.9337 3.6941 3.6953 3.8483 3.8592 4.6522 4.6608 4.9096 4.9124 5.2729 5.2897 5.9270 5.9396 6.6381 6.6772 8.5442 8.5453 9.3913 9.4045 9.8081 9.8152 9.9286 9.9387 10.9191 10.9689 k = 0.3329 0.6020 0.2739 ( 5585 PWs) bands (ev): -5.1532 -5.1516 -4.7301 -4.7269 -3.5879 -3.5846 -3.3577 -3.3310 -1.6925 -1.6377 -1.6038 -1.5647 -1.5500 -1.5022 -1.4887 -1.2951 -1.0728 -1.0326 -0.9567 -0.9051 -0.9047 -0.8668 -0.8452 -0.7901 -0.7836 -0.7111 -0.6565 -0.6162 0.1462 0.1478 1.4087 1.4132 2.6964 2.7143 2.7459 2.7535 2.9041 2.9105 3.7147 3.7155 3.8002 3.8109 4.5895 4.5993 4.9237 4.9271 5.2143 5.2318 5.9695 5.9814 6.6579 6.6944 8.5740 8.5747 9.4544 9.4674 9.8400 9.8487 9.9632 9.9700 10.9877 11.0362 k = 0.3241 0.6134 0.2884 ( 5593 PWs) bands (ev): -5.1713 -5.1699 -4.6977 -4.6942 -3.5978 -3.5956 -3.3589 -3.3317 -1.6934 -1.6414 -1.6045 -1.5586 -1.5520 -1.5062 -1.4911 -1.2897 -1.0764 -1.0339 -0.9581 -0.9094 -0.9025 -0.8696 -0.8445 -0.7891 -0.7859 -0.7097 -0.6494 -0.6060 0.1209 0.1251 1.4428 1.4456 2.6922 2.7101 2.7755 2.7840 2.8800 2.8870 3.7325 3.7330 3.7552 3.7658 4.5238 4.5348 4.9419 4.9460 5.1589 5.1772 6.0081 6.0190 6.6727 6.7062 8.6069 8.6071 9.5174 9.5299 9.8652 9.8753 9.9918 9.9943 11.0687 11.0954 k = 0.3241 0.6134 0.2884 ( 5593 PWs) bands (ev): -5.1713 -5.1699 -4.6977 -4.6942 -3.5978 -3.5956 -3.3589 -3.3317 -1.6934 -1.6414 -1.6045 -1.5586 -1.5520 -1.5062 -1.4911 -1.2897 -1.0764 -1.0339 -0.9581 -0.9094 -0.9025 -0.8696 -0.8445 -0.7891 -0.7859 -0.7097 -0.6494 -0.6060 0.1209 0.1251 1.4428 1.4456 2.6922 2.7101 2.7755 2.7840 2.8800 2.8870 3.7325 3.7330 3.7552 3.7658 4.5238 4.5348 4.9419 4.9460 5.1589 5.1772 6.0081 6.0190 6.6727 6.7062 8.6069 8.6071 9.5174 9.5299 9.8652 9.8753 9.9918 9.9943 11.0687 11.0954 k = 0.3061 0.6081 0.2951 ( 5589 PWs) bands (ev): -5.1821 -5.1807 -4.6800 -4.6764 -3.6013 -3.5996 -3.3595 -3.3322 -1.6935 -1.6428 -1.6047 -1.5576 -1.5511 -1.5078 -1.4919 -1.2874 -1.0781 -1.0344 -0.9587 -0.9128 -0.9010 -0.8705 -0.8439 -0.7897 -0.7859 -0.7090 -0.6461 -0.6015 0.1060 0.1140 1.4564 1.4591 2.6871 2.7045 2.7979 2.8069 2.8673 2.8749 3.7212 3.7265 3.7540 3.7599 4.4901 4.5015 4.9494 4.9552 5.1389 5.1574 6.0242 6.0349 6.6765 6.7083 8.6258 8.6275 9.5415 9.5535 9.8699 9.8799 10.0154 10.0170 11.1057 11.1222 k = 0.2881 0.6027 0.3019 ( 5592 PWs) bands (ev): -5.1957 -5.1945 -4.6592 -4.6555 -3.6032 -3.6019 -3.3603 -3.3330 -1.6933 -1.6441 -1.6046 -1.5578 -1.5493 -1.5091 -1.4925 -1.2857 -1.0797 -1.0347 -0.9594 -0.9171 -0.8995 -0.8712 -0.8432 -0.7918 -0.7846 -0.7084 -0.6431 -0.5976 0.0881 0.1003 1.4710 1.4745 2.6792 2.6962 2.8236 2.8340 2.8527 2.8629 3.6985 3.7055 3.7642 3.7683 4.4536 4.4654 4.9541 4.9628 5.1283 5.1467 6.0384 6.0492 6.6760 6.7059 8.6519 8.6550 9.5557 9.5669 9.8633 9.8714 10.0619 10.0653 11.1277 11.1693 k = 0.2701 0.5974 0.3086 ( 5598 PWs) bands (ev): -5.2113 -5.2101 -4.6364 -4.6327 -3.6036 -3.6025 -3.3615 -3.3341 -1.6929 -1.6452 -1.6042 -1.5583 -1.5476 -1.5100 -1.4930 -1.2847 -1.0811 -1.0348 -0.9601 -0.9221 -0.8983 -0.8717 -0.8424 -0.7943 -0.7829 -0.7078 -0.6406 -0.5945 0.0681 0.0845 1.4872 1.4917 2.6711 2.6877 2.8288 2.8371 2.8607 2.8713 3.6759 3.6834 3.7730 3.7763 4.4177 4.4296 4.9566 4.9690 5.1253 5.1434 6.0506 6.0617 6.6711 6.6989 8.6848 8.6894 9.5616 9.5719 9.8501 9.8558 10.1273 10.1329 11.1472 11.2247 k = 0.2521 0.5920 0.3153 ( 5596 PWs) bands (ev): -5.2278 -5.2267 -4.6128 -4.6090 -3.6024 -3.6011 -3.3630 -3.3355 -1.6920 -1.6461 -1.6036 -1.5587 -1.5465 -1.5105 -1.4931 -1.2843 -1.0822 -1.0346 -0.9608 -0.9275 -0.8975 -0.8719 -0.8415 -0.7972 -0.7811 -0.7073 -0.6385 -0.5924 0.0465 0.0670 1.5054 1.5111 2.6629 2.6793 2.8130 2.8201 2.8887 2.8975 3.6524 3.6601 3.7805 3.7829 4.3851 4.3970 4.9574 4.9738 5.1283 5.1462 6.0606 6.0722 6.6616 6.6871 8.7241 8.7300 9.5615 9.5710 9.8348 9.8382 10.2064 10.2141 11.1666 11.2514 k = 0.2341 0.5867 0.3221 ( 5590 PWs) bands (ev): -5.2446 -5.2437 -4.5892 -4.5854 -3.5996 -3.5977 -3.3649 -3.3375 -1.6907 -1.6467 -1.6026 -1.5589 -1.5458 -1.5109 -1.4929 -1.2850 -1.0828 -1.0341 -0.9617 -0.9334 -0.8969 -0.8719 -0.8408 -0.8002 -0.7791 -0.7070 -0.6369 -0.5916 0.0244 0.0486 1.5261 1.5328 2.6540 2.6699 2.7955 2.8026 2.9159 2.9238 3.6260 3.6340 3.7883 3.7895 4.3580 4.3696 4.9571 4.9778 5.1360 5.1536 6.0682 6.0803 6.6475 6.6705 8.7693 8.7763 9.5575 9.5664 9.8200 9.8219 10.2958 10.3055 11.1856 11.2679 k = 0.2161 0.5814 0.3288 ( 5595 PWs) bands (ev): -5.2613 -5.2604 -4.5663 -4.5625 -3.5951 -3.5924 -3.3673 -3.3399 -1.6890 -1.6470 -1.6015 -1.5590 -1.5455 -1.5114 -1.4922 -1.2868 -1.0830 -1.0334 -0.9629 -0.9396 -0.8967 -0.8717 -0.8403 -0.8036 -0.7771 -0.7070 -0.6361 -0.5922 0.0023 0.0297 1.5491 1.5566 2.6436 2.6589 2.7790 2.7860 2.9408 2.9479 3.5954 3.6038 3.7970 3.7980 4.3368 4.3482 4.9567 4.9816 5.1471 5.1646 6.0734 6.0859 6.6290 6.6495 8.8196 8.8275 9.5515 9.5598 9.8071 9.8092 10.3932 10.4048 11.2032 11.2817 k = 0.1981 0.5760 0.3356 ( 5603 PWs) bands (ev): -5.2774 -5.2766 -4.5445 -4.5408 -3.5889 -3.5852 -3.3701 -3.3429 -1.6868 -1.6472 -1.6002 -1.5591 -1.5454 -1.5122 -1.4908 -1.2899 -1.0825 -1.0323 -0.9644 -0.9460 -0.8966 -0.8714 -0.8402 -0.8073 -0.7749 -0.7073 -0.6358 -0.5944 -0.0188 0.0109 1.5745 1.5826 2.6310 2.6455 2.7641 2.7710 2.9628 2.9693 3.5607 3.5692 3.8077 3.8099 4.3211 4.3322 4.9570 4.9861 5.1605 5.1781 6.0761 6.0889 6.6064 6.6245 8.8742 8.8827 9.5448 9.5528 9.7975 9.8009 10.4968 10.5102 11.2176 11.2910 k = 0.1801 0.5707 0.3423 ( 5608 PWs) bands (ev): -5.2926 -5.2919 -4.5242 -4.5206 -3.5810 -3.5763 -3.3735 -3.3465 -1.6841 -1.6471 -1.5988 -1.5592 -1.5452 -1.5134 -1.4887 -1.2944 -1.0813 -1.0310 -0.9666 -0.9523 -0.8966 -0.8709 -0.8405 -0.8111 -0.7727 -0.7078 -0.6362 -0.5981 -0.0383 -0.0071 1.6020 1.6105 2.6164 2.6301 2.7505 2.7574 2.9817 2.9879 3.5228 3.5311 3.8216 3.8251 4.3092 4.3204 4.9591 4.9921 5.1754 5.1933 6.0763 6.0892 6.5803 6.5961 8.9319 8.9407 9.5390 9.5467 9.7920 9.7968 10.6052 10.6201 11.2259 11.2929 k = 0.1620 0.5653 0.3491 ( 5600 PWs) bands (ev): -5.3068 -5.3062 -4.5057 -4.5023 -3.5717 -3.5658 -3.3774 -3.3507 -1.6810 -1.6470 -1.5972 -1.5593 -1.5448 -1.5150 -1.4858 -1.3004 -1.0794 -1.0292 -0.9698 -0.9580 -0.8965 -0.8702 -0.8412 -0.8151 -0.7703 -0.7088 -0.6370 -0.6030 -0.0558 -0.0239 1.6313 1.6399 2.6005 2.6135 2.7371 2.7443 2.9977 3.0039 3.4834 3.4912 3.8389 3.8435 4.2994 4.3111 4.9642 5.0004 5.1908 5.2091 6.0742 6.0871 6.5515 6.5650 8.9914 9.0002 9.5354 9.5427 9.7907 9.7968 10.7166 10.7330 11.2238 11.2839 k = 0.1440 0.5600 0.3558 ( 5600 PWs) bands (ev): -5.3198 -5.3192 -4.4891 -4.4860 -3.5611 -3.5540 -3.3819 -3.3557 -1.6776 -1.6467 -1.5954 -1.5596 -1.5444 -1.5171 -1.4820 -1.3080 -1.0767 -1.0272 -0.9748 -0.9626 -0.8963 -0.8694 -0.8425 -0.8191 -0.7678 -0.7104 -0.6382 -0.6090 -0.0708 -0.0394 1.6618 1.6704 2.5843 2.5968 2.7225 2.7303 3.0111 3.0180 3.4442 3.4512 3.8595 3.8649 4.2900 4.3022 4.9729 5.0118 5.2058 5.2248 6.0701 6.0826 6.5207 6.5322 9.0508 9.0593 9.5352 9.5422 9.7931 9.8006 10.8290 10.8470 11.2066 11.2599 k = 0.1260 0.5546 0.3626 ( 5612 PWs) bands (ev): -5.3315 -5.3310 -4.4746 -4.4717 -3.5495 -3.5411 -3.3871 -3.3615 -1.6739 -1.6465 -1.5935 -1.5601 -1.5437 -1.5195 -1.4772 -1.3171 -1.0733 -1.0247 -0.9814 -0.9663 -0.8959 -0.8686 -0.8443 -0.8233 -0.7653 -0.7126 -0.6397 -0.6156 -0.0832 -0.0534 1.6929 1.7013 2.5688 2.5813 2.7057 2.7144 3.0229 3.0306 3.4066 3.4127 3.8828 3.8889 4.2794 4.2922 4.9858 5.0263 5.2197 5.2394 6.0644 6.0762 6.4891 6.4988 9.1080 9.1159 9.5398 9.5465 9.7984 9.8072 10.9389 10.9587 11.1719 11.2174 k = 0.1080 0.5493 0.3693 ( 5611 PWs) bands (ev): -5.3417 -5.3413 -4.4621 -4.4595 -3.5371 -3.5275 -3.3928 -3.3680 -1.6700 -1.6463 -1.5914 -1.5609 -1.5429 -1.5222 -1.4711 -1.3277 -1.0691 -1.0218 -0.9887 -0.9697 -0.8952 -0.8679 -0.8466 -0.8273 -0.7625 -0.7154 -0.6412 -0.6222 -0.0930 -0.0657 1.7238 1.7318 2.5550 2.5678 2.6860 2.6958 3.0339 3.0423 3.3715 3.3770 3.9083 3.9148 4.2670 4.2799 5.0028 5.0439 5.2317 5.2522 6.0575 6.0684 6.4579 6.4659 9.1603 9.1673 9.5505 9.5568 9.8055 9.8158 11.0352 11.0607 11.1274 11.1602 k = 0.0900 0.5439 0.3761 ( 5606 PWs) bands (ev): -5.3505 -5.3502 -4.4515 -4.4494 -3.5243 -3.5135 -3.3992 -3.3754 -1.6661 -1.6462 -1.5890 -1.5619 -1.5421 -1.5251 -1.4637 -1.3395 -1.0642 -1.0184 -0.9964 -0.9732 -0.8940 -0.8677 -0.8488 -0.8311 -0.7596 -0.7189 -0.6427 -0.6283 -0.1002 -0.0763 1.7536 1.7608 2.5440 2.5571 2.6636 2.6748 3.0447 3.0535 3.3397 3.3450 3.9352 3.9420 4.2522 4.2649 5.0234 5.0636 5.2411 5.2621 6.0502 6.0599 6.4284 6.4349 9.2051 9.2111 9.5685 9.5740 9.8133 9.8250 11.0427 11.0839 11.1445 11.1502 k = 0.0720 0.5386 0.3828 ( 5612 PWs) bands (ev): -5.3578 -5.3575 -4.4430 -4.4412 -3.5115 -3.4998 -3.4059 -3.3836 -1.6623 -1.6464 -1.5864 -1.5633 -1.5412 -1.5280 -1.4550 -1.3524 -1.0589 -1.0146 -1.0041 -0.9770 -0.8924 -0.8683 -0.8506 -0.8348 -0.7565 -0.7231 -0.6440 -0.6336 -0.1053 -0.0853 1.7810 1.7873 2.5363 2.5501 2.6395 2.6518 3.0555 3.0642 3.3119 3.3171 3.9626 3.9696 4.2353 4.2474 5.0463 5.0841 5.2477 5.2687 6.0431 6.0512 6.4018 6.4070 9.2405 9.2452 9.5931 9.5975 9.8207 9.8332 10.9878 11.0205 11.1853 11.1889 k = 0.0540 0.5332 0.3896 ( 5614 PWs) bands (ev): -5.3634 -5.3632 -4.4364 -4.4351 -3.4989 -3.4869 -3.4126 -3.3925 -1.6587 -1.6468 -1.5835 -1.5652 -1.5403 -1.5308 -1.4449 -1.3660 -1.0530 -1.0117 -1.0104 -0.9813 -0.8903 -0.8703 -0.8512 -0.8383 -0.7532 -0.7276 -0.6450 -0.6379 -0.1082 -0.0928 1.8047 1.8097 2.5330 2.5474 2.6148 2.6282 3.0661 3.0740 3.2887 3.2936 3.9895 3.9963 4.2173 4.2281 5.0699 5.1030 5.2518 5.2715 6.0369 6.0433 6.3797 6.3835 9.2661 9.2696 9.6215 9.6250 9.8266 9.8391 10.9351 10.9606 11.1993 11.2013 k = 0.0360 0.5279 0.3963 ( 5618 PWs) bands (ev): -5.3675 -5.3673 -4.4317 -4.4308 -3.4873 -3.4763 -3.4182 -3.4017 -1.6555 -1.6476 -1.5804 -1.5676 -1.5394 -1.5332 -1.4336 -1.3800 -1.0468 -1.0192 -1.0058 -0.9859 -0.8876 -0.8733 -0.8507 -0.8415 -0.7496 -0.7323 -0.6456 -0.6412 -0.1094 -0.0989 1.8233 1.8269 2.5344 2.5493 2.5912 2.6055 3.0759 3.0820 3.2711 3.2751 4.0140 4.0199 4.2001 4.2088 5.0921 5.1175 5.2545 5.2706 6.0323 6.0367 6.3630 6.3656 9.2829 9.2852 9.6489 9.6516 9.8308 9.8415 10.8940 10.9119 11.2020 11.2033 k = 0.0180 0.5225 0.4031 ( 5622 PWs) bands (ev): -5.3699 -5.3698 -4.4288 -4.4283 -3.4774 -3.4702 -3.4207 -3.4107 -1.6527 -1.6488 -1.5771 -1.5705 -1.5383 -1.5353 -1.4213 -1.3942 -1.0403 -1.0265 -1.0009 -0.9908 -0.8845 -0.8770 -0.8492 -0.8444 -0.7456 -0.7370 -0.6456 -0.6435 -0.1089 -0.1036 1.8355 1.8373 2.5410 2.5560 2.5705 2.5853 3.0835 3.0869 3.2603 3.2627 4.0331 4.0368 4.1874 4.1925 5.1104 5.1245 5.2576 5.2669 6.0298 6.0320 6.3529 6.3542 9.2924 9.2935 9.6694 9.6711 9.8340 9.8404 10.8693 10.8786 11.2020 11.2027 k = 0.0000 0.5172 0.4098 ( 5618 PWs) bands (ev): -5.3707 -5.3707 -4.4276 -4.4276 -3.4708 -3.4708 -3.4178 -3.4178 -1.6505 -1.6505 -1.5737 -1.5737 -1.5369 -1.5369 -1.4080 -1.4080 -1.0335 -1.0335 -0.9958 -0.9958 -0.8809 -0.8809 -0.8470 -0.8470 -0.7414 -0.7414 -0.6449 -0.6449 -0.1069 -0.1069 1.8403 1.8403 2.5528 2.5528 2.5689 2.5689 3.0875 3.0875 3.2574 3.2574 4.0419 4.0419 4.1842 4.1842 5.1220 5.1220 5.2619 5.2619 6.0297 6.0297 6.3499 6.3499 9.2958 9.2958 9.6777 9.6777 9.8373 9.8373 10.8639 10.8639 11.2020 11.2020 k = 0.0000 0.5172 0.4098 ( 5618 PWs) bands (ev): -5.3707 -5.3707 -4.4276 -4.4276 -3.4708 -3.4708 -3.4178 -3.4178 -1.6505 -1.6505 -1.5737 -1.5737 -1.5369 -1.5369 -1.4080 -1.4080 -1.0335 -1.0335 -0.9958 -0.9958 -0.8809 -0.8809 -0.8470 -0.8470 -0.7414 -0.7414 -0.6449 -0.6449 -0.1069 -0.1069 1.8403 1.8403 2.5528 2.5528 2.5689 2.5689 3.0875 3.0875 3.2574 3.2574 4.0419 4.0419 4.1842 4.1842 5.1220 5.1220 5.2619 5.2619 6.0297 6.0297 6.3499 6.3499 9.2958 9.2958 9.6777 9.6777 9.8373 9.8373 10.8639 10.8639 11.2020 11.2020 k = 0.0089 0.5056 0.4244 ( 5614 PWs) bands (ev): -5.3700 -5.3699 -4.4281 -4.4280 -3.4721 -3.4706 -3.4180 -3.4179 -1.6521 -1.6484 -1.5749 -1.5724 -1.5421 -1.5317 -1.4082 -1.4070 -1.0344 -1.0327 -0.9985 -0.9923 -0.8818 -0.8798 -0.8503 -0.8434 -0.7431 -0.7397 -0.6468 -0.6432 -0.1076 -0.1075 1.8323 1.8342 2.5503 2.5526 2.5675 2.5685 3.0930 3.0938 3.2536 3.2546 4.0448 4.0458 4.1888 4.1895 5.1236 5.1241 5.2633 5.2635 6.0294 6.0315 6.3486 6.3513 9.2962 9.2965 9.6717 9.6723 9.8374 9.8382 10.8692 10.8707 11.1915 11.1946 k = 0.0179 0.4940 0.4391 ( 5610 PWs) bands (ev): -5.3678 -5.3676 -4.4294 -4.4292 -3.4743 -3.4715 -3.4185 -3.4181 -1.6533 -1.6459 -1.5760 -1.5712 -1.5468 -1.5265 -1.4078 -1.4052 -1.0357 -1.0318 -1.0000 -0.9882 -0.8826 -0.8787 -0.8530 -0.8395 -0.7445 -0.7378 -0.6491 -0.6417 -0.1095 -0.1092 1.8108 1.8144 2.5435 2.5482 2.5655 2.5672 3.1101 3.1115 3.2438 3.2458 4.0545 4.0565 4.2030 4.2043 5.1289 5.1300 5.2676 5.2681 6.0304 6.0347 6.3476 6.3530 9.2977 9.2983 9.6549 9.6560 9.8385 9.8400 10.8856 10.8887 11.1640 11.1698 k = 0.0268 0.4824 0.4537 ( 5614 PWs) bands (ev): -5.3641 -5.3639 -4.4317 -4.4313 -3.4775 -3.4733 -3.4191 -3.4185 -1.6540 -1.6430 -1.5769 -1.5703 -1.5508 -1.5215 -1.4067 -1.4028 -1.0376 -1.0305 -1.0003 -0.9837 -0.8832 -0.8777 -0.8552 -0.8355 -0.7460 -0.7358 -0.6517 -0.6406 -0.1123 -0.1120 1.7776 1.7826 2.5305 2.5371 2.5636 2.5662 3.1378 3.1397 3.2298 3.2330 4.0710 4.0739 4.2254 4.2273 5.1377 5.1394 5.2750 5.2756 6.0330 6.0392 6.3465 6.3547 9.3003 9.3012 9.6290 9.6305 9.8406 9.8428 10.9113 10.9159 11.1218 11.1294 k = 0.0357 0.4708 0.4684 ( 5614 PWs) bands (ev): -5.3590 -5.3587 -4.4348 -4.4344 -3.4815 -3.4760 -3.4199 -3.4191 -1.6542 -1.6398 -1.5775 -1.5703 -1.5533 -1.5168 -1.4050 -1.3998 -1.0401 -1.0288 -0.9993 -0.9790 -0.8837 -0.8768 -0.8564 -0.8313 -0.7472 -0.7338 -0.6545 -0.6398 -0.1160 -0.1156 1.7348 1.7410 2.5107 2.5185 2.5607 2.5644 3.1746 3.1765 3.2145 3.2191 4.0943 4.0979 4.2543 4.2566 5.1499 5.1522 5.2856 5.2862 6.0369 6.0452 6.3453 6.3563 9.3040 9.3053 9.5963 9.5979 9.8435 9.8464 10.9431 10.9490 11.0677 11.0763 k = 0.0446 0.4592 0.4830 ( 5606 PWs) bands (ev): -5.3524 -5.3520 -4.4388 -4.4384 -3.4863 -3.4795 -3.4210 -3.4200 -1.6539 -1.6362 -1.5778 -1.5713 -1.5542 -1.5125 -1.4028 -1.3964 -1.0431 -1.0264 -0.9971 -0.9742 -0.8841 -0.8764 -0.8566 -0.8272 -0.7484 -0.7317 -0.6576 -0.6392 -0.1201 -0.1198 1.6848 1.6919 2.4844 2.4929 2.5551 2.5599 3.1990 3.2028 3.2204 3.2244 4.1243 4.1285 4.2878 4.2902 5.1650 5.1680 5.2994 5.3000 6.0424 6.0525 6.3437 6.3577 9.3088 9.3104 9.5591 9.5609 9.8473 9.8507 10.9743 10.9768 11.0123 11.0166 k = 0.0536 0.4476 0.4976 ( 5604 PWs) bands (ev): -5.3444 -5.3439 -4.4439 -4.4434 -3.4917 -3.4838 -3.4223 -3.4210 -1.6532 -1.6325 -1.5778 -1.5730 -1.5536 -1.5086 -1.4004 -1.3928 -1.0464 -1.0234 -0.9940 -0.9694 -0.8843 -0.8763 -0.8556 -0.8232 -0.7495 -0.7297 -0.6610 -0.6389 -0.1244 -0.1244 1.6297 1.6373 2.4521 2.4612 2.5447 2.5506 3.1903 3.1962 3.2689 3.2720 4.1610 4.1657 4.3239 4.3263 5.1827 5.1865 5.3167 5.3170 6.0493 6.0611 6.3414 6.3584 9.3146 9.3165 9.5199 9.5215 9.8517 9.8556 10.9246 10.9355 11.0194 11.0293 k = 0.0625 0.4360 0.5123 ( 5600 PWs) bands (ev): -5.3349 -5.3343 -4.4501 -4.4496 -3.4975 -3.4886 -3.4237 -3.4222 -1.6520 -1.6287 -1.5775 -1.5749 -1.5521 -1.5051 -1.3976 -1.3893 -1.0497 -1.0198 -0.9901 -0.9647 -0.8843 -0.8766 -0.8535 -0.8194 -0.7505 -0.7279 -0.6646 -0.6388 -0.1288 -0.1284 1.5710 1.5791 2.4146 2.4242 2.5283 2.5349 3.1883 3.1952 3.3208 3.3238 4.2044 4.2095 4.3611 4.3633 5.2026 5.2072 5.3374 5.3374 6.0576 6.0710 6.3381 6.3582 9.3213 9.3236 9.4806 9.4820 9.8565 9.8609 10.8475 10.8590 11.0512 11.0626 k = 0.0714 0.4244 0.5269 ( 5604 PWs) bands (ev): -5.3240 -5.3233 -4.4574 -4.4569 -3.5036 -3.4939 -3.4254 -3.4236 -1.6505 -1.6249 -1.5770 -1.5763 -1.5501 -1.5018 -1.3949 -1.3862 -1.0530 -1.0156 -0.9857 -0.9601 -0.8843 -0.8772 -0.8504 -0.8159 -0.7515 -0.7265 -0.6684 -0.6392 -0.1327 -0.1316 1.5102 1.5184 2.3728 2.3828 2.5049 2.5120 3.1952 3.2027 3.3737 3.3767 4.2544 4.2596 4.3979 4.3997 5.2243 5.2298 5.3611 5.3616 6.0673 6.0821 6.3334 6.3568 9.3289 9.3316 9.4430 9.4440 9.8615 9.8663 10.7652 10.7772 11.0791 11.0913 k = 0.0804 0.4128 0.5415 ( 5602 PWs) bands (ev): -5.3117 -5.3110 -4.4660 -4.4655 -3.5098 -3.4994 -3.4272 -3.4253 -1.6485 -1.6213 -1.5771 -1.5761 -1.5478 -1.4988 -1.3922 -1.3835 -1.0561 -1.0109 -0.9807 -0.9558 -0.8840 -0.8777 -0.8465 -0.8126 -0.7525 -0.7255 -0.6725 -0.6399 -0.1357 -0.1335 1.4482 1.4565 2.3276 2.3380 2.4746 2.4819 3.2115 3.2194 3.4260 3.4290 4.3108 4.3161 4.4334 4.4346 5.2472 5.2538 5.3880 5.3893 6.0784 6.0943 6.3271 6.3537 9.3373 9.3403 9.4084 9.4090 9.8663 9.8714 10.6798 10.6922 11.0999 11.1108 k = 0.0893 0.4012 0.5562 ( 5596 PWs) bands (ev): -5.2981 -5.2973 -4.4759 -4.4754 -3.5159 -3.5049 -3.4293 -3.4272 -1.6460 -1.6179 -1.5768 -1.5748 -1.5454 -1.4960 -1.3897 -1.3816 -1.0589 -1.0057 -0.9753 -0.9516 -0.8836 -0.8782 -0.8421 -0.8097 -0.7535 -0.7251 -0.6767 -0.6410 -0.1371 -0.1335 1.3859 1.3941 2.2800 2.2907 2.4382 2.4453 3.2369 3.2449 3.4766 3.4794 4.3731 4.3783 4.4667 4.4673 5.2711 5.2787 5.4181 5.4202 6.0907 6.1075 6.3188 6.3487 9.3461 9.3497 9.3779 9.3783 9.8703 9.8757 10.5926 10.6051 11.0651 11.0702 k = 0.0982 0.3896 0.5708 ( 5594 PWs) bands (ev): -5.2831 -5.2822 -4.4871 -4.4867 -3.5218 -3.5104 -3.4316 -3.4293 -1.6433 -1.6149 -1.5755 -1.5733 -1.5429 -1.4934 -1.3875 -1.3805 -1.0613 -1.0003 -0.9696 -0.9476 -0.8831 -0.8787 -0.8373 -0.8072 -0.7547 -0.7255 -0.6811 -0.6427 -0.1365 -0.1311 1.3238 1.3318 2.2307 2.2418 2.3967 2.4036 3.2703 3.2782 3.5245 3.5274 4.4401 4.4456 4.4977 4.4981 5.2955 5.3042 5.4511 5.4540 6.1041 6.1214 6.3084 6.3414 9.3494 9.3519 9.3584 9.3599 9.8730 9.8785 10.5043 10.5170 10.9770 10.9801 k = 0.1071 0.3780 0.5854 ( 5594 PWs) bands (ev): -5.2668 -5.2659 -4.4998 -4.4995 -3.5272 -3.5155 -3.4341 -3.4317 -1.6402 -1.6124 -1.5732 -1.5716 -1.5404 -1.4909 -1.3858 -1.3803 -1.0633 -0.9948 -0.9637 -0.9438 -0.8825 -0.8790 -0.8324 -0.8051 -0.7561 -0.7267 -0.6856 -0.6452 -0.1334 -0.1258 1.2624 1.2699 2.1807 2.1921 2.3516 2.3580 3.3104 3.3180 3.5695 3.5723 4.5053 4.5131 4.5300 4.5323 5.3201 5.3299 5.4865 5.4904 6.1184 6.1360 6.2959 6.3317 9.3304 9.3318 9.3663 9.3697 9.8734 9.8791 10.4157 10.4286 10.8906 10.8910 k = 0.1161 0.3664 0.6001 ( 5596 PWs) bands (ev): -5.2493 -5.2482 -4.5139 -4.5138 -3.5320 -3.5202 -3.4368 -3.4344 -1.6369 -1.6102 -1.5700 -1.5696 -1.5378 -1.4884 -1.3846 -1.3810 -1.0648 -0.9894 -0.9576 -0.9400 -0.8818 -0.8793 -0.8275 -0.8033 -0.7577 -0.7288 -0.6903 -0.6485 -0.1274 -0.1173 1.2019 1.2089 2.1306 2.1423 2.3039 2.3099 3.3558 3.3632 3.6113 3.6141 4.5416 4.5473 4.5961 4.5961 5.3448 5.3556 5.5239 5.5288 6.1334 6.1507 6.2812 6.3196 9.3155 9.3170 9.3760 9.3797 9.8704 9.8761 10.3276 10.3403 10.8068 10.8085 k = 0.1250 0.3548 0.6147 ( 5588 PWs) bands (ev): -5.2306 -5.2294 -4.5296 -4.5295 -3.5360 -3.5244 -3.4398 -3.4374 -1.6333 -1.6082 -1.5673 -1.5661 -1.5351 -1.4859 -1.3841 -1.3827 -1.0656 -0.9842 -0.9513 -0.9361 -0.8809 -0.8796 -0.8228 -0.8019 -0.7596 -0.7318 -0.6951 -0.6527 -0.1179 -0.1051 1.1425 1.1487 2.0813 2.0932 2.2549 2.2604 3.4051 3.4123 3.6501 3.6529 4.5644 4.5702 4.6728 4.6729 5.3696 5.3813 5.5627 5.5685 6.1486 6.1652 6.2648 6.3050 9.3061 9.3078 9.3856 9.3893 9.8628 9.8684 10.2404 10.2529 10.7299 10.7330 k = 0.1339 0.3432 0.6294 ( 5594 PWs) bands (ev): -5.2106 -5.2094 -4.5468 -4.5466 -3.5393 -3.5278 -3.4431 -3.4407 -1.6294 -1.6064 -1.5650 -1.5617 -1.5324 -1.4836 -1.3851 -1.3844 -1.0659 -0.9794 -0.9450 -0.9321 -0.8800 -0.8799 -0.8186 -0.8008 -0.7620 -0.7357 -0.7000 -0.6580 -0.1047 -0.0892 1.0843 1.0895 2.0333 2.0453 2.2054 2.2104 3.4572 3.4642 3.6858 3.6887 4.5839 4.5904 4.7501 4.7511 5.3948 5.4070 5.6023 5.6090 6.1638 6.1784 6.2475 6.2883 9.3022 9.3038 9.3947 9.3983 9.8491 9.8545 10.1547 10.1668 10.6627 10.6667 k = 0.1429 0.3316 0.6440 ( 5596 PWs) bands (ev): -5.1896 -5.1883 -4.5656 -4.5652 -3.5417 -3.5305 -3.4466 -3.4443 -1.6254 -1.6046 -1.5625 -1.5570 -1.5295 -1.4812 -1.3883 -1.3855 -1.0655 -0.9749 -0.9387 -0.9278 -0.8802 -0.8791 -0.8149 -0.8001 -0.7647 -0.7403 -0.7051 -0.6643 -0.0876 -0.0694 1.0272 1.0313 1.9873 1.9994 2.1561 2.1608 3.5108 3.5178 3.7189 3.7217 4.6015 4.6090 4.8253 4.8276 5.4211 5.4334 5.6421 5.6495 6.1783 6.1878 6.2320 6.2698 9.3032 9.3046 9.4032 9.4063 9.8282 9.8331 10.0710 10.0825 10.6074 10.6116 k = 0.1518 0.3200 0.6586 ( 5600 PWs) bands (ev): -5.1675 -5.1661 -4.5858 -4.5853 -3.5432 -3.5324 -3.4504 -3.4483 -1.6213 -1.6028 -1.5599 -1.5523 -1.5263 -1.4789 -1.3922 -1.3875 -1.0646 -0.9710 -0.9324 -0.9232 -0.8806 -0.8781 -0.8120 -0.7995 -0.7678 -0.7455 -0.7102 -0.6716 -0.0665 -0.0458 0.9713 0.9741 1.9440 1.9559 2.1077 2.1121 3.5648 3.5718 3.7494 3.7523 4.6182 4.6266 4.8956 4.8996 5.4497 5.4616 5.6816 5.6894 6.1864 6.1914 6.2253 6.2502 9.3086 9.3095 9.4107 9.4132 9.7996 9.8038 9.9898 10.0007 10.5654 10.5694 k = 0.1607 0.3084 0.6733 ( 5590 PWs) bands (ev): -5.1444 -5.1429 -4.6074 -4.6067 -3.5437 -3.5334 -3.4544 -3.4525 -1.6170 -1.6008 -1.5573 -1.5478 -1.5226 -1.4765 -1.3965 -1.3903 -1.0630 -0.9676 -0.9261 -0.9183 -0.8810 -0.8770 -0.8097 -0.7991 -0.7710 -0.7510 -0.7155 -0.6796 -0.0413 -0.0185 0.9164 0.9176 1.9039 1.9156 2.0608 2.0649 3.6181 3.6252 3.7775 3.7805 4.6347 4.6439 4.9578 4.9638 5.4822 5.4931 5.7201 5.7282 6.1722 6.2010 6.2295 6.2316 9.3175 9.3179 9.4171 9.4187 9.7638 9.7670 9.9118 9.9218 10.5371 10.5407 k = 0.1696 0.2968 0.6879 ( 5590 PWs) bands (ev): -5.1203 -5.1187 -4.6303 -4.6293 -3.5433 -3.5336 -3.4587 -3.4570 -1.6127 -1.5989 -1.5547 -1.5437 -1.5184 -1.4743 -1.4012 -1.3940 -1.0609 -0.9647 -0.9200 -0.9131 -0.8815 -0.8760 -0.8082 -0.7989 -0.7744 -0.7568 -0.7209 -0.6882 -0.0122 0.0122 0.8619 0.8623 1.8674 1.8789 2.0158 2.0197 3.6695 3.6768 3.8035 3.8065 4.6520 4.6619 5.0087 5.0165 5.5206 5.5300 5.7573 5.7652 6.1541 6.1984 6.2226 6.2357 9.3288 9.3291 9.4223 9.4227 9.7223 9.7244 9.8375 9.8464 10.5219 10.5247 k = 0.1786 0.2852 0.7025 ( 5586 PWs) bands (ev): -5.0953 -5.0937 -4.6543 -4.6532 -3.5421 -3.5330 -3.4633 -3.4618 -1.6084 -1.5970 -1.5521 -1.5403 -1.5134 -1.4721 -1.4060 -1.3984 -1.0583 -0.9623 -0.9141 -0.9077 -0.8821 -0.8750 -0.8077 -0.7988 -0.7777 -0.7627 -0.7262 -0.6972 0.0206 0.0460 0.8066 0.8090 1.8351 1.8461 1.9732 1.9769 3.7181 3.7256 3.8273 3.8303 4.6708 4.6813 5.0456 5.0549 5.5660 5.5739 5.7927 5.8001 6.1358 6.1813 6.2253 6.2402 9.3414 9.3425 9.4252 9.4263 9.6776 9.6784 9.7675 9.7753 10.5182 10.5201 k = 0.1875 0.2737 0.7172 ( 5586 PWs) bands (ev): -5.0696 -5.0679 -4.6795 -4.6782 -3.5400 -3.5315 -3.4680 -3.4669 -1.6043 -1.5951 -1.5497 -1.5375 -1.5078 -1.4702 -1.4109 -1.4036 -1.0555 -0.9602 -0.9087 -0.9023 -0.8826 -0.8740 -0.8081 -0.7986 -0.7806 -0.7683 -0.7314 -0.7065 0.0567 0.0827 0.7518 0.7563 1.8073 1.8178 1.9332 1.9369 3.7626 3.7706 3.8490 3.8521 4.6920 4.7028 5.0675 5.0773 5.6183 5.6249 5.8260 5.8326 6.1188 6.1621 6.2274 6.2413 9.3549 9.3566 9.4262 9.4291 9.6317 9.6322 9.7026 9.7090 10.5240 10.5251 k = 0.1964 0.2621 0.7318 ( 5582 PWs) bands (ev): -5.0431 -5.0413 -4.7055 -4.7041 -3.5371 -3.5293 -3.4729 -3.4721 -1.6004 -1.5933 -1.5474 -1.5352 -1.5015 -1.4684 -1.4157 -1.4094 -1.0525 -0.9585 -0.9037 -0.8971 -0.8828 -0.8731 -0.8094 -0.7984 -0.7831 -0.7734 -0.7363 -0.7157 0.0960 0.1220 0.6974 0.7040 1.7843 1.7943 1.8963 1.9000 3.8022 3.8106 3.8685 3.8716 4.7162 4.7271 5.0750 5.0844 5.6757 5.6816 5.8570 5.8622 6.1038 6.1435 6.2256 6.2380 9.3685 9.3708 9.4259 9.4307 9.5870 9.5887 9.6433 9.6483 10.5376 10.5378 k = 0.2054 0.2505 0.7464 ( 5588 PWs) bands (ev): -5.0159 -5.0141 -4.7324 -4.7308 -3.5336 -3.5265 -3.4780 -3.4776 -1.5968 -1.5917 -1.5454 -1.5336 -1.4948 -1.4669 -1.4201 -1.4158 -1.0495 -0.9572 -0.8994 -0.8930 -0.8822 -0.8721 -0.8117 -0.7982 -0.7851 -0.7779 -0.7408 -0.7246 0.1380 0.1635 0.6432 0.6521 1.7663 1.7757 1.8628 1.8665 3.8361 3.8451 3.8859 3.8888 4.7438 4.7545 5.0699 5.0780 5.7354 5.7411 5.8856 5.8891 6.0911 6.1264 6.2190 6.2298 9.3817 9.3843 9.4245 9.4312 9.5464 9.5494 9.5906 9.5939 10.5566 10.5572 k = 0.2143 0.2389 0.7611 ( 5588 PWs) bands (ev): -4.9883 -4.9864 -4.7599 -4.7583 -3.5296 -3.5230 -3.4832 -3.4832 -1.5937 -1.5902 -1.5435 -1.5323 -1.4878 -1.4658 -1.4240 -1.4226 -1.0466 -0.9561 -0.8959 -0.8907 -0.8798 -0.8712 -0.8146 -0.7978 -0.7865 -0.7814 -0.7447 -0.7330 0.1824 0.2070 0.5893 0.6007 1.7535 1.7622 1.8329 1.8368 3.8637 3.8734 3.9009 3.9034 4.7750 4.7851 5.0544 5.0604 5.7940 5.7997 5.9118 5.9131 6.0811 6.1115 6.2071 6.2162 9.3941 9.3965 9.4223 9.4307 9.5120 9.5158 9.5450 9.5467 10.5801 10.5814 k = 0.2232 0.2273 0.7757 ( 5580 PWs) bands (ev): -4.9601 -4.9583 -4.7880 -4.7863 -3.5251 -3.5191 -3.4888 -3.4884 -1.5910 -1.5890 -1.5420 -1.5313 -1.4805 -1.4649 -1.4296 -1.4271 -1.0441 -0.9552 -0.8933 -0.8901 -0.8760 -0.8703 -0.8177 -0.7974 -0.7875 -0.7838 -0.7478 -0.7404 0.2290 0.2521 0.5357 0.5497 1.7458 1.7540 1.8070 1.8111 3.8847 3.8953 3.9135 3.9153 4.8096 4.8186 5.0308 5.0344 5.8473 5.8529 5.9348 5.9356 6.0747 6.0996 6.1901 6.1973 9.4053 9.4072 9.4204 9.4296 9.4848 9.4885 9.5075 9.5075 10.6070 10.6089 k = 0.2321 0.2157 0.7904 ( 5576 PWs) bands (ev): -4.9316 -4.9298 -4.8165 -4.8147 -3.5205 -3.5149 -3.4942 -3.4936 -1.5890 -1.5881 -1.5408 -1.5306 -1.4734 -1.4643 -1.4366 -1.4294 -1.0421 -0.9545 -0.8916 -0.8901 -0.8723 -0.8695 -0.8207 -0.7971 -0.7882 -0.7851 -0.7501 -0.7464 0.2772 0.2983 0.4825 0.4993 1.7433 1.7510 1.7854 1.7896 3.8992 3.9107 3.9231 3.9240 4.8470 4.8546 5.0010 5.0020 5.8904 5.8946 5.9549 5.9571 6.0737 6.0925 6.1690 6.1738 9.4140 9.4156 9.4211 9.4290 9.4651 9.4667 9.4777 9.4788 10.6363 10.6385 k = 0.2411 0.2041 0.8050 ( 5572 PWs) bands (ev): -4.9029 -4.9010 -4.8452 -4.8433 -3.5162 -3.5106 -3.4990 -3.4984 -1.5878 -1.5876 -1.5401 -1.5302 -1.4670 -1.4640 -1.4429 -1.4308 -1.0409 -0.9541 -0.8907 -0.8903 -0.8696 -0.8689 -0.8228 -0.7970 -0.7885 -0.7854 -0.7514 -0.7504 0.3270 0.3447 0.4299 0.4506 1.7455 1.7532 1.7687 1.7727 3.9075 3.9199 3.9292 3.9294 4.8862 4.8919 4.9653 4.9670 5.9176 5.9191 5.9717 5.9741 6.0803 6.0927 6.1470 6.1491 9.4188 9.4207 9.4269 9.4305 9.4493 9.4528 9.4588 9.4596 10.6670 10.6692 k = 0.2500 0.1925 0.8196 ( 5564 PWs) bands (ev): -4.8746 -4.8735 -4.8735 -4.8708 -3.5140 -3.5079 -3.5013 -3.5013 -1.5874 -1.5873 -1.5398 -1.5300 -1.4639 -1.4639 -1.4459 -1.4312 -1.0404 -0.9540 -0.8903 -0.8903 -0.8686 -0.8686 -0.8236 -0.7970 -0.7887 -0.7854 -0.7519 -0.7519 0.3776 0.3784 0.3784 0.4161 1.7493 1.7600 1.7600 1.7610 3.9103 3.9229 3.9313 3.9313 4.9253 4.9253 4.9270 4.9347 5.9267 5.9267 5.9785 5.9809 6.0877 6.0963 6.1351 6.1351 9.4223 9.4223 9.4291 9.4321 9.4433 9.4503 9.4503 9.4503 10.6945 10.6951 k = 0.2500 0.1925 0.8196 ( 5564 PWs) bands (ev): -4.8746 -4.8735 -4.8735 -4.8708 -3.5140 -3.5079 -3.5013 -3.5013 -1.5874 -1.5873 -1.5398 -1.5300 -1.4639 -1.4639 -1.4459 -1.4312 -1.0404 -0.9540 -0.8903 -0.8903 -0.8686 -0.8686 -0.8236 -0.7970 -0.7887 -0.7854 -0.7519 -0.7519 0.3776 0.3784 0.3784 0.4161 1.7493 1.7600 1.7600 1.7610 3.9103 3.9229 3.9313 3.9313 4.9253 4.9253 4.9270 4.9347 5.9267 5.9267 5.9785 5.9809 6.0877 6.0963 6.1351 6.1351 9.4223 9.4223 9.4291 9.4321 9.4433 9.4503 9.4503 9.4503 10.6945 10.6947 k = 0.2625 0.2021 0.8075 ( 5568 PWs) bands (ev): -4.8903 -4.8885 -4.8578 -4.8560 -3.5148 -3.5090 -3.5004 -3.5002 -1.5881 -1.5867 -1.5400 -1.5303 -1.4662 -1.4630 -1.4446 -1.4310 -1.0404 -0.9539 -0.8943 -0.8866 -0.8719 -0.8658 -0.8236 -0.7976 -0.7880 -0.7849 -0.7530 -0.7498 0.3464 0.3616 0.4071 0.4311 1.7506 1.7600 1.7638 1.7689 3.9052 3.9172 3.9271 3.9286 4.9017 4.9057 4.9530 4.9554 5.9249 5.9252 5.9760 5.9786 6.0870 6.0974 6.1402 6.1408 9.3884 9.3899 9.3991 9.4007 9.4745 9.4748 9.4865 9.4875 10.6793 10.6801 k = 0.2750 0.2117 0.7953 ( 5566 PWs) bands (ev): -4.9050 -4.9033 -4.8430 -4.8413 -3.5166 -3.5112 -3.4982 -3.4979 -1.5890 -1.5860 -1.5405 -1.5311 -1.4689 -1.4643 -1.4403 -1.4303 -1.0404 -0.9538 -0.8987 -0.8832 -0.8749 -0.8642 -0.8233 -0.7987 -0.7866 -0.7836 -0.7530 -0.7465 0.3134 0.3318 0.4345 0.4552 1.7580 1.7678 1.7742 1.7813 3.8880 3.8983 3.9187 3.9226 4.8753 4.8800 4.9840 4.9843 5.9209 5.9210 5.9692 5.9719 6.0902 6.1043 6.1503 6.1528 9.3400 9.3412 9.3645 9.3674 9.5098 9.5104 9.5349 9.5363 10.6591 10.6598 k = 0.2875 0.2213 0.7832 ( 5573 PWs) bands (ev): -4.9183 -4.9166 -4.8298 -4.8283 -3.5187 -3.5135 -3.4959 -3.4952 -1.5900 -1.5853 -1.5413 -1.5323 -1.4718 -1.4671 -1.4343 -1.4296 -1.0403 -0.9536 -0.9035 -0.8810 -0.8771 -0.8637 -0.8228 -0.7997 -0.7852 -0.7818 -0.7519 -0.7419 0.2801 0.2996 0.4597 0.4790 1.7725 1.7829 1.7891 1.7977 3.8591 3.8686 3.9071 3.9125 4.8482 4.8533 5.0143 5.0158 5.9142 5.9154 5.9606 5.9628 6.1005 6.1186 6.1616 6.1662 9.2885 9.2894 9.3314 9.3352 9.5460 9.5473 9.5847 9.5866 10.6386 10.6391 k = 0.3000 0.2310 0.7710 ( 5577 PWs) bands (ev): -4.9300 -4.9285 -4.8182 -4.8169 -3.5209 -3.5158 -3.4938 -3.4924 -1.5910 -1.5846 -1.5425 -1.5338 -1.4749 -1.4706 -1.4289 -1.4273 -1.0403 -0.9534 -0.9086 -0.8822 -0.8761 -0.8643 -0.8220 -0.8003 -0.7841 -0.7799 -0.7495 -0.7359 0.2481 0.2674 0.4828 0.5010 1.7933 1.8041 1.8081 1.8180 3.8218 3.8311 3.8912 3.8974 4.8217 4.8268 5.0421 5.0450 5.9051 5.9077 5.9532 5.9545 6.1173 6.1387 6.1731 6.1795 9.2352 9.2356 9.2999 9.3045 9.5829 9.5845 9.6351 9.6376 10.6187 10.6191 k = 0.3125 0.2406 0.7589 ( 5571 PWs) bands (ev): -4.9402 -4.9387 -4.8083 -4.8071 -3.5229 -3.5179 -3.4919 -3.4898 -1.5919 -1.5840 -1.5438 -1.5354 -1.4782 -1.4746 -1.4283 -1.4201 -1.0402 -0.9532 -0.9140 -0.8847 -0.8742 -0.8657 -0.8209 -0.8005 -0.7832 -0.7781 -0.7458 -0.7289 0.2187 0.2368 0.5034 0.5208 1.8196 1.8304 1.8310 1.8422 3.7786 3.7879 3.8703 3.8769 4.7967 4.8018 5.0652 5.0691 5.8940 5.8976 5.9485 5.9492 6.1383 6.1607 6.1867 6.1928 9.1808 9.1810 9.2701 9.2754 9.6202 9.6219 9.6860 9.6890 10.6001 10.6004 k = 0.3250 0.2502 0.7468 ( 5571 PWs) bands (ev): -4.9488 -4.9474 -4.8002 -4.7991 -3.5248 -3.5197 -3.4905 -3.4876 -1.5928 -1.5835 -1.5453 -1.5373 -1.4818 -1.4788 -1.4280 -1.4129 -1.0400 -0.9534 -0.9195 -0.8873 -0.8727 -0.8677 -0.8196 -0.8002 -0.7828 -0.7768 -0.7411 -0.7210 0.1931 0.2093 0.5215 0.5382 1.8502 1.8576 1.8604 1.8703 3.7314 3.7409 3.8441 3.8509 4.7740 4.7790 5.0817 5.0862 5.8821 5.8862 5.9464 5.9471 6.1598 6.1758 6.2085 6.2096 9.1261 9.1269 9.2421 9.2480 9.6576 9.6593 9.7371 9.7403 10.5832 10.5833 k = 0.3375 0.2598 0.7346 ( 5568 PWs) bands (ev): -4.9557 -4.9544 -4.7938 -4.7929 -3.5264 -3.5212 -3.4895 -3.4859 -1.5936 -1.5832 -1.5469 -1.5391 -1.4856 -1.4831 -1.4278 -1.4062 -1.0399 -0.9541 -0.9247 -0.8897 -0.8719 -0.8700 -0.8182 -0.7994 -0.7826 -0.7758 -0.7360 -0.7130 0.1726 0.1863 0.5372 0.5531 1.8837 1.8880 1.8930 1.9022 3.6820 3.6917 3.8130 3.8198 4.7542 4.7589 5.0907 5.0953 5.8705 5.8748 5.9462 5.9472 6.1761 6.1828 6.2307 6.2415 9.0728 9.0742 9.2157 9.2223 9.6949 9.6965 9.7881 9.7915 10.5677 10.5680 k = 0.3500 0.2695 0.7225 ( 5575 PWs) bands (ev): -4.9610 -4.9597 -4.7892 -4.7885 -3.5277 -3.5225 -3.4890 -3.4847 -1.5944 -1.5831 -1.5487 -1.5408 -1.4897 -1.4875 -1.4279 -1.4003 -1.0397 -0.9559 -0.9291 -0.8921 -0.8724 -0.8717 -0.8168 -0.7984 -0.7827 -0.7751 -0.7309 -0.7052 0.1582 0.1689 0.5503 0.5655 1.9181 1.9228 1.9272 1.9373 3.6316 3.6414 3.7774 3.7842 4.7374 4.7417 5.0918 5.0961 5.8599 5.8642 5.9473 5.9488 6.1848 6.1856 6.2599 6.2766 9.0223 9.0245 9.1911 9.1982 9.7322 9.7334 9.8388 9.8422 10.5532 10.5543 k = 0.3625 0.2791 0.7103 ( 5572 PWs) bands (ev): -4.9646 -4.9634 -4.7865 -4.7860 -3.5287 -3.5234 -3.4891 -3.4841 -1.5950 -1.5833 -1.5505 -1.5423 -1.4941 -1.4919 -1.4280 -1.3953 -1.0394 -0.9594 -0.9321 -0.8943 -0.8748 -0.8719 -0.8153 -0.7972 -0.7829 -0.7745 -0.7263 -0.6983 0.1507 0.1583 0.5609 0.5754 1.9532 1.9607 1.9628 1.9744 3.5814 3.5914 3.7383 3.7447 4.7235 4.7274 5.0852 5.0889 5.8508 5.8550 5.9496 5.9514 6.1855 6.1879 6.2920 6.3116 8.9764 8.9792 9.1682 9.1759 9.7692 9.7699 9.8888 9.8920 10.5395 10.5416 k = 0.3750 0.2887 0.6982 ( 5574 PWs) bands (ev): -4.9665 -4.9654 -4.7858 -4.7854 -3.5294 -3.5241 -3.4897 -3.4841 -1.5956 -1.5839 -1.5523 -1.5435 -1.4989 -1.4963 -1.4281 -1.3915 -1.0390 -0.9646 -0.9335 -0.8964 -0.8770 -0.8724 -0.8140 -0.7961 -0.7831 -0.7740 -0.7223 -0.6927 0.1508 0.1552 0.5691 0.5828 1.9895 1.9995 1.9996 2.0125 3.5325 3.5427 3.6965 3.7024 4.7123 4.7157 5.0715 5.0743 5.8436 5.8476 5.9527 5.9548 6.1828 6.1873 6.3231 6.3438 8.9365 8.9401 9.1471 9.1552 9.8059 9.8060 9.9379 9.9407 10.5257 10.5292 k = 0.3875 0.2983 0.6860 ( 5582 PWs) bands (ev): -4.9667 -4.9657 -4.7869 -4.7867 -3.5298 -3.5244 -3.4909 -3.4848 -1.5961 -1.5849 -1.5542 -1.5445 -1.5041 -1.5007 -1.4282 -1.3891 -1.0385 -0.9712 -0.9336 -0.8985 -0.8790 -0.8733 -0.8128 -0.7953 -0.7832 -0.7736 -0.7192 -0.6890 0.1588 0.1602 0.5749 0.5878 2.0265 2.0365 2.0386 2.0505 3.4861 3.4964 3.6531 3.6583 4.7034 4.7062 5.0512 5.0531 5.8383 5.8422 5.9562 5.9585 6.1779 6.1839 6.3500 6.3709 8.9043 8.9088 9.1277 9.1362 9.8416 9.8423 9.9855 9.9878 10.5110 10.5162 k = 0.4000 0.3080 0.6739 ( 5583 PWs) bands (ev): -4.9651 -4.9642 -4.7901 -4.7899 -3.5297 -3.5243 -3.4927 -3.4862 -1.5965 -1.5863 -1.5560 -1.5450 -1.5095 -1.5049 -1.4282 -1.3881 -1.0378 -0.9783 -0.9330 -0.9006 -0.8807 -0.8742 -0.8118 -0.7952 -0.7828 -0.7732 -0.7169 -0.6870 0.1736 0.1747 0.5785 0.5905 2.0633 2.0731 2.0768 2.0876 3.4431 3.4535 3.6093 3.6136 4.6965 4.6987 5.0252 5.0260 5.8352 5.8389 5.9600 5.9621 6.1714 6.1785 6.3703 6.3908 8.8811 8.8865 9.1100 9.1189 9.8769 9.8784 10.0312 10.0329 10.4944 10.5016 k = 0.4125 0.3176 0.6617 ( 5583 PWs) bands (ev): -4.9618 -4.9610 -4.7952 -4.7952 -3.5293 -3.5239 -3.4948 -3.4881 -1.5970 -1.5881 -1.5577 -1.5452 -1.5151 -1.5090 -1.4281 -1.3885 -1.0371 -0.9858 -0.9318 -0.9026 -0.8820 -0.8752 -0.8111 -0.7960 -0.7819 -0.7728 -0.7153 -0.6869 0.1953 0.1984 0.5799 0.5910 2.0991 2.1084 2.1132 2.1229 3.4047 3.4150 3.5660 3.5693 4.6911 4.6927 4.9939 4.9942 5.8344 5.8378 5.9633 5.9651 6.1638 6.1721 6.3820 6.4016 8.8680 8.8744 9.0941 9.1032 9.9117 9.9142 10.0744 10.0755 10.4751 10.4846 k = 0.4250 0.3272 0.6496 ( 5582 PWs) bands (ev): -4.9567 -4.9560 -4.8024 -4.8024 -3.5286 -3.5231 -3.4974 -3.4905 -1.5974 -1.5902 -1.5593 -1.5452 -1.5208 -1.5130 -1.4277 -1.3903 -1.0361 -0.9931 -0.9303 -0.9047 -0.8831 -0.8762 -0.8108 -0.7976 -0.7805 -0.7723 -0.7143 -0.6883 0.2250 0.2294 0.5790 0.5892 2.1329 2.1413 2.1473 2.1558 3.3719 3.3820 3.5244 3.5265 4.6871 4.6880 4.9575 4.9587 5.8358 5.8391 5.9651 5.9663 6.1565 6.1657 6.3838 6.4023 8.8656 8.8729 9.0798 9.0891 9.9462 9.9496 10.1144 10.1148 10.4528 10.4645 k = 0.4375 0.3368 0.6374 ( 5583 PWs) bands (ev): -4.9498 -4.9492 -4.8117 -4.8116 -3.5274 -3.5220 -3.5002 -3.4934 -1.5979 -1.5925 -1.5608 -1.5454 -1.5261 -1.5168 -1.4272 -1.3934 -1.0350 -1.0002 -0.9286 -0.9069 -0.8837 -0.8771 -0.8109 -0.7999 -0.7787 -0.7718 -0.7135 -0.6910 0.2620 0.2672 0.5761 0.5854 2.1636 2.1709 2.1781 2.1855 3.3457 3.3556 3.4852 3.4859 4.6843 4.6844 4.9174 4.9194 5.8395 5.8425 5.9642 5.9646 6.1508 6.1610 6.3751 6.3922 8.8739 8.8820 9.0672 9.0768 9.9803 9.9847 10.1496 10.1498 10.4282 10.4421 k = 0.4500 0.3464 0.6253 ( 5581 PWs) bands (ev): -4.9412 -4.9407 -4.8231 -4.8229 -3.5259 -3.5206 -3.5032 -3.4965 -1.5986 -1.5950 -1.5619 -1.5462 -1.5306 -1.5203 -1.4264 -1.3976 -1.0338 -1.0068 -0.9268 -0.9092 -0.8839 -0.8780 -0.8114 -0.8027 -0.7768 -0.7713 -0.7128 -0.6944 0.3055 0.3112 0.5711 0.5794 2.1906 2.1964 2.2051 2.2113 3.3271 3.3366 3.4485 3.4492 4.6817 4.6825 4.8742 4.8769 5.8452 5.8480 5.9584 5.9589 6.1486 6.1596 6.3556 6.3714 8.8921 8.9010 9.0563 9.0660 10.0139 10.0195 10.1775 10.1785 10.4040 10.4195 k = 0.4625 0.3561 0.6132 ( 5587 PWs) bands (ev): -4.9308 -4.9303 -4.8365 -4.8362 -3.5240 -3.5190 -3.5061 -3.4998 -1.5997 -1.5975 -1.5628 -1.5486 -1.5332 -1.5236 -1.4254 -1.4028 -1.0324 -1.0129 -0.9250 -0.9116 -0.8837 -0.8788 -0.8123 -0.8060 -0.7748 -0.7707 -0.7121 -0.6982 0.3549 0.3606 0.5640 0.5713 2.2132 2.2174 2.2277 2.2326 3.3168 3.3257 3.4146 3.4169 4.6800 4.6816 4.8284 4.8317 5.8527 5.8554 5.9468 5.9480 6.1513 6.1628 6.3263 6.3408 8.9188 8.9283 9.0471 9.0569 10.0470 10.0538 10.1936 10.1963 10.3858 10.4017 k = 0.4750 0.3657 0.6010 ( 5587 PWs) bands (ev): -4.9186 -4.9182 -4.8519 -4.8517 -3.5219 -3.5173 -3.5085 -3.5031 -1.6010 -1.6001 -1.5634 -1.5528 -1.5338 -1.5266 -1.4242 -1.4086 -1.0310 -1.0184 -0.9233 -0.9143 -0.8831 -0.8795 -0.8135 -0.8095 -0.7727 -0.7701 -0.7112 -0.7019 0.4090 0.4145 0.5549 0.5612 2.2310 2.2336 2.2455 2.2490 3.3151 3.3233 3.3848 3.3885 4.6792 4.6816 4.7805 4.7842 5.8614 5.8639 5.9297 5.9314 6.1594 6.1709 6.2886 6.3017 8.9523 8.9622 9.0396 9.0495 10.0795 10.0875 10.1920 10.1975 10.3814 10.3960 k = 0.4875 0.3753 0.5889 ( 5586 PWs) bands (ev): -4.9046 -4.9043 -4.8693 -4.8691 -3.5194 -3.5164 -3.5098 -3.5062 -1.6026 -1.6025 -1.5636 -1.5580 -1.5330 -1.5293 -1.4227 -1.4148 -1.0294 -1.0234 -0.9217 -0.9172 -0.8820 -0.8800 -0.8150 -0.8131 -0.7707 -0.7695 -0.7100 -0.7055 0.4668 0.4718 0.5440 0.5494 2.2441 2.2452 2.2584 2.2603 3.3220 3.3294 3.3590 3.3642 4.6792 4.6825 4.7309 4.7349 5.8701 5.8724 5.9079 5.9098 6.1720 6.1826 6.2454 6.2567 8.9902 9.0002 9.0338 9.0437 10.1110 10.1205 10.1723 10.1810 10.3932 10.4054 k = 0.5000 0.3849 0.5767 ( 5586 PWs) bands (ev): -4.8898 -4.8898 -4.8875 -4.8875 -3.5171 -3.5171 -3.5086 -3.5086 -1.6047 -1.6047 -1.5636 -1.5636 -1.5314 -1.5314 -1.4211 -1.4211 -1.0278 -1.0278 -0.9203 -0.9203 -0.8805 -0.8805 -0.8166 -0.8166 -0.7688 -0.7688 -0.7086 -0.7086 0.5218 0.5218 0.5412 0.5412 2.2528 2.2528 2.2670 2.2670 3.3370 3.3370 3.3437 3.3437 4.6799 4.6799 4.6844 4.6844 5.8733 5.8733 5.8885 5.8885 6.1821 6.1821 6.2148 6.2148 9.0296 9.0296 9.0397 9.0397 10.1401 10.1401 10.1537 10.1537 10.4138 10.4138 k = 0.5000 0.3849 0.5767 ( 5586 PWs) bands (ev): -4.8898 -4.8898 -4.8875 -4.8875 -3.5171 -3.5171 -3.5086 -3.5086 -1.6047 -1.6047 -1.5636 -1.5636 -1.5314 -1.5314 -1.4211 -1.4211 -1.0278 -1.0278 -0.9203 -0.9203 -0.8805 -0.8805 -0.8166 -0.8166 -0.7688 -0.7688 -0.7086 -0.7086 0.5218 0.5218 0.5412 0.5412 2.2528 2.2528 2.2670 2.2670 3.3370 3.3370 3.3437 3.3437 4.6799 4.6799 4.6844 4.6844 5.8733 5.8733 5.8885 5.8885 6.1821 6.1821 6.2148 6.2148 9.0296 9.0296 9.0397 9.0397 10.1401 10.1401 10.1537 10.1537 10.4138 10.4138 k = 0.5000 0.3849 0.5561 ( 5586 PWs) bands (ev): -4.8933 -4.8933 -4.8910 -4.8910 -3.5162 -3.5162 -3.5080 -3.5080 -1.6085 -1.6085 -1.5685 -1.5685 -1.5310 -1.5310 -1.4251 -1.4251 -1.0297 -1.0297 -0.9221 -0.9221 -0.8791 -0.8791 -0.8208 -0.8208 -0.7667 -0.7667 -0.7098 -0.7098 0.5610 0.5610 0.5807 0.5807 2.2642 2.2642 2.2774 2.2774 3.3357 3.3357 3.3427 3.3427 4.6381 4.6381 4.6437 4.6437 5.8538 5.8538 5.8701 5.8701 6.1557 6.1557 6.1907 6.1907 9.0588 9.0588 9.0688 9.0688 10.1322 10.1322 10.1499 10.1499 10.3877 10.3877 k = 0.5000 0.3849 0.5355 ( 5578 PWs) bands (ev): -4.8972 -4.8972 -4.8950 -4.8950 -3.5146 -3.5146 -3.5067 -3.5067 -1.6122 -1.6122 -1.5732 -1.5732 -1.5300 -1.5300 -1.4289 -1.4289 -1.0310 -1.0310 -0.9242 -0.9242 -0.8772 -0.8772 -0.8248 -0.8248 -0.7649 -0.7649 -0.7108 -0.7108 0.5982 0.5982 0.6183 0.6183 2.2776 2.2776 2.2897 2.2897 3.3341 3.3341 3.3412 3.3412 4.5988 4.5988 4.6054 4.6054 5.8326 5.8326 5.8503 5.8503 6.1306 6.1306 6.1680 6.1680 9.0839 9.0839 9.0938 9.0938 10.1196 10.1196 10.1403 10.1403 10.3591 10.3591 k = 0.5000 0.3849 0.5149 ( 5584 PWs) bands (ev): -4.9016 -4.9016 -4.8995 -4.8995 -3.5121 -3.5121 -3.5046 -3.5046 -1.6160 -1.6160 -1.5775 -1.5775 -1.5288 -1.5288 -1.4325 -1.4325 -1.0318 -1.0318 -0.9264 -0.9264 -0.8750 -0.8750 -0.8285 -0.8285 -0.7634 -0.7634 -0.7118 -0.7118 0.6325 0.6325 0.6533 0.6533 2.2932 2.2932 2.3042 2.3042 3.3320 3.3320 3.3394 3.3394 4.5625 4.5625 4.5701 4.5701 5.8098 5.8098 5.8287 5.8287 6.1074 6.1074 6.1472 6.1472 9.1031 9.1031 9.1130 9.1130 10.1055 10.1055 10.1273 10.1273 10.3274 10.3274 k = 0.5000 0.3849 0.4943 ( 5590 PWs) bands (ev): -4.9065 -4.9065 -4.9045 -4.9045 -3.5089 -3.5089 -3.5016 -3.5016 -1.6197 -1.6197 -1.5813 -1.5813 -1.5273 -1.5273 -1.4357 -1.4357 -1.0322 -1.0322 -0.9287 -0.9287 -0.8726 -0.8726 -0.8318 -0.8318 -0.7624 -0.7624 -0.7125 -0.7125 0.6631 0.6631 0.6847 0.6847 2.3113 2.3113 2.3212 2.3212 3.3296 3.3296 3.3371 3.3371 4.5299 4.5299 4.5385 4.5385 5.7853 5.7853 5.8055 5.8055 6.0865 6.0865 6.1285 6.1285 9.1147 9.1147 9.1248 9.1248 10.0917 10.0917 10.1123 10.1123 10.2933 10.2933 k = 0.5000 0.3849 0.4737 ( 5584 PWs) bands (ev): -4.9119 -4.9119 -4.9100 -4.9100 -3.5048 -3.5048 -3.4976 -3.4976 -1.6232 -1.6232 -1.5843 -1.5843 -1.5256 -1.5256 -1.4382 -1.4382 -1.0322 -1.0322 -0.9309 -0.9309 -0.8701 -0.8701 -0.8346 -0.8346 -0.7618 -0.7618 -0.7129 -0.7129 0.6891 0.6891 0.7118 0.7118 2.3321 2.3321 2.3412 2.3412 3.3269 3.3269 3.3344 3.3344 4.5016 4.5016 4.5110 4.5110 5.7592 5.7592 5.7804 5.7804 6.0685 6.0685 6.1122 6.1122 9.1176 9.1176 9.1279 9.1279 10.0781 10.0781 10.0936 10.0936 10.2592 10.2592 k = 0.5000 0.3849 0.4531 ( 5584 PWs) bands (ev): -4.9179 -4.9179 -4.9160 -4.9160 -3.4999 -3.4999 -3.4926 -3.4926 -1.6266 -1.6266 -1.5866 -1.5866 -1.5239 -1.5239 -1.4401 -1.4401 -1.0320 -1.0320 -0.9330 -0.9330 -0.8677 -0.8677 -0.8369 -0.8369 -0.7617 -0.7617 -0.7129 -0.7129 0.7100 0.7100 0.7338 0.7338 2.3559 2.3559 2.3643 2.3643 3.3238 3.3238 3.3315 3.3315 4.4779 4.4779 4.4880 4.4880 5.7317 5.7317 5.7536 5.7536 6.0535 6.0535 6.0987 6.0987 9.1113 9.1113 9.1217 9.1217 10.0601 10.0601 10.0669 10.0669 10.2304 10.2304 k = 0.5000 0.3849 0.4325 ( 5590 PWs) bands (ev): -4.9242 -4.9242 -4.9224 -4.9224 -3.4942 -3.4942 -3.4866 -3.4866 -1.6299 -1.6299 -1.5883 -1.5883 -1.5220 -1.5220 -1.4412 -1.4412 -1.0317 -1.0317 -0.9349 -0.9349 -0.8656 -0.8656 -0.8386 -0.8386 -0.7620 -0.7620 -0.7127 -0.7127 0.7252 0.7252 0.7502 0.7502 2.3827 2.3827 2.3909 2.3909 3.3207 3.3207 3.3283 3.3283 4.4590 4.4590 4.4699 4.4699 5.7028 5.7028 5.7253 5.7253 6.0416 6.0416 6.0878 6.0878 9.0962 9.0962 9.1066 9.1066 10.0267 10.0267 10.0329 10.0329 10.2154 10.2154 k = 0.5000 0.3849 0.4119 ( 5588 PWs) bands (ev): -4.9310 -4.9310 -4.9291 -4.9291 -3.4877 -3.4877 -3.4796 -3.4796 -1.6328 -1.6328 -1.5892 -1.5892 -1.5200 -1.5200 -1.4415 -1.4415 -1.0312 -1.0312 -0.9365 -0.9365 -0.8639 -0.8639 -0.8396 -0.8396 -0.7627 -0.7627 -0.7121 -0.7121 0.7344 0.7344 0.7605 0.7605 2.4127 2.4127 2.4210 2.4210 3.3174 3.3174 3.3250 3.3250 4.4453 4.4453 4.4567 4.4567 5.6727 5.6727 5.6955 5.6955 6.0328 6.0328 6.0797 6.0797 9.0734 9.0734 9.0834 9.0834 9.9777 9.9777 9.9898 9.9898 10.2175 10.2175 k = 0.5000 0.3849 0.3913 ( 5588 PWs) bands (ev): -4.9382 -4.9382 -4.9362 -4.9362 -3.4805 -3.4805 -3.4717 -3.4717 -1.6354 -1.6354 -1.5897 -1.5897 -1.5178 -1.5178 -1.4409 -1.4409 -1.0307 -1.0307 -0.9378 -0.9378 -0.8629 -0.8629 -0.8396 -0.8396 -0.7638 -0.7638 -0.7112 -0.7112 0.7374 0.7374 0.7647 0.7647 2.4456 2.4456 2.4545 2.4545 3.3140 3.3140 3.3217 3.3217 4.4366 4.4366 4.4485 4.4485 5.6417 5.6417 5.6645 5.6645 6.0270 6.0270 6.0742 6.0742 9.0443 9.0443 9.0537 9.0537 9.9212 9.9212 9.9364 9.9364 10.2328 10.2328 k = 0.5000 0.3849 0.3707 ( 5596 PWs) bands (ev): -4.9456 -4.9456 -4.9436 -4.9436 -3.4725 -3.4725 -3.4630 -3.4630 -1.6377 -1.6377 -1.5898 -1.5898 -1.5155 -1.5155 -1.4396 -1.4396 -1.0302 -1.0302 -0.9387 -0.9387 -0.8625 -0.8625 -0.8387 -0.8387 -0.7652 -0.7652 -0.7101 -0.7101 0.7344 0.7344 0.7627 0.7627 2.4814 2.4814 2.4911 2.4911 3.3107 3.3107 3.3184 3.3184 4.4330 4.4330 4.4454 4.4454 5.6100 5.6100 5.6326 5.6326 6.0242 6.0242 6.0712 6.0712 9.0106 9.0106 9.0191 9.0191 9.8604 9.8604 9.8770 9.8770 10.2560 10.2560 k = 0.5000 0.3849 0.3502 ( 5596 PWs) bands (ev): -4.9532 -4.9532 -4.9513 -4.9513 -3.4638 -3.4638 -3.4537 -3.4537 -1.6394 -1.6394 -1.5896 -1.5896 -1.5127 -1.5127 -1.4374 -1.4374 -1.0298 -1.0298 -0.9393 -0.9393 -0.8627 -0.8627 -0.8369 -0.8369 -0.7667 -0.7667 -0.7088 -0.7088 0.7256 0.7256 0.7548 0.7548 2.5198 2.5198 2.5305 2.5305 3.3075 3.3075 3.3152 3.3152 4.4344 4.4344 4.4473 4.4473 5.5777 5.5777 5.6001 5.6001 6.0240 6.0240 6.0707 6.0707 8.9739 8.9739 8.9816 8.9816 9.7974 9.7974 9.8143 9.8143 10.2831 10.2831 k = 0.5000 0.3849 0.3296 ( 5604 PWs) bands (ev): -4.9610 -4.9610 -4.9590 -4.9590 -3.4546 -3.4546 -3.4437 -3.4437 -1.6407 -1.6407 -1.5893 -1.5893 -1.5096 -1.5096 -1.4346 -1.4346 -1.0294 -1.0294 -0.9395 -0.9395 -0.8633 -0.8633 -0.8345 -0.8345 -0.7685 -0.7685 -0.7074 -0.7074 0.7115 0.7115 0.7415 0.7415 2.5604 2.5604 2.5720 2.5720 3.3043 3.3043 3.3121 3.3121 4.4407 4.4407 4.4539 4.4539 5.5449 5.5449 5.5669 5.5669 6.0263 6.0263 6.0724 6.0724 8.9358 8.9358 8.9427 8.9427 9.7335 9.7335 9.7503 9.7503 10.3110 10.3110 k = 0.5000 0.3849 0.3090 ( 5598 PWs) bands (ev): -4.9688 -4.9688 -4.9669 -4.9669 -3.4449 -3.4449 -3.4334 -3.4334 -1.6414 -1.6414 -1.5888 -1.5888 -1.5060 -1.5060 -1.4312 -1.4312 -1.0289 -1.0289 -0.9394 -0.9394 -0.8639 -0.8639 -0.8316 -0.8316 -0.7703 -0.7703 -0.7060 -0.7060 0.6927 0.6927 0.7232 0.7232 2.6027 2.6027 2.6152 2.6152 3.3011 3.3011 3.3090 3.3090 4.4517 4.4517 4.4653 4.4653 5.5118 5.5118 5.5334 5.5334 6.0308 6.0308 6.0760 6.0760 8.8977 8.8977 8.9039 8.9039 9.6697 9.6697 9.6861 9.6861 10.3374 10.3374 k = 0.5000 0.3849 0.2884 ( 5608 PWs) bands (ev): -4.9766 -4.9766 -4.9747 -4.9747 -3.4348 -3.4348 -3.4228 -3.4228 -1.6417 -1.6417 -1.5886 -1.5886 -1.5020 -1.5020 -1.4273 -1.4273 -1.0285 -1.0285 -0.9392 -0.9392 -0.8643 -0.8643 -0.8285 -0.8285 -0.7722 -0.7722 -0.7045 -0.7045 0.6699 0.6699 0.7007 0.7007 2.6461 2.6461 2.6594 2.6594 3.2979 3.2979 3.3059 3.3059 4.4671 4.4671 4.4810 4.4810 5.4785 5.4785 5.4996 5.4996 6.0372 6.0372 6.0815 6.0815 8.8606 8.8606 8.8667 8.8667 9.6067 9.6067 9.6226 9.6226 10.3601 10.3601 k = 0.5000 0.3849 0.2678 ( 5620 PWs) bands (ev): -4.9843 -4.9843 -4.9824 -4.9824 -3.4245 -3.4245 -3.4121 -3.4121 -1.6414 -1.6414 -1.5885 -1.5885 -1.4973 -1.4973 -1.4231 -1.4231 -1.0280 -1.0280 -0.9390 -0.9390 -0.8643 -0.8643 -0.8253 -0.8253 -0.7741 -0.7741 -0.7032 -0.7032 0.6438 0.6438 0.6747 0.6747 2.6901 2.6901 2.7040 2.7040 3.2944 3.2944 3.3026 3.3026 4.4868 4.4868 4.5009 4.5009 5.4450 5.4450 5.4657 5.4657 6.0454 6.0454 6.0884 6.0884 8.8258 8.8258 8.8322 8.8322 9.5449 9.5449 9.5602 9.5602 10.3772 10.3772 k = 0.5000 0.3849 0.2472 ( 5624 PWs) bands (ev): -4.9918 -4.9918 -4.9899 -4.9899 -3.4141 -3.4141 -3.4015 -3.4015 -1.6406 -1.6406 -1.5886 -1.5886 -1.4921 -1.4921 -1.4187 -1.4187 -1.0274 -1.0274 -0.9389 -0.9389 -0.8637 -0.8637 -0.8219 -0.8219 -0.7758 -0.7758 -0.7019 -0.7019 0.6153 0.6153 0.6461 0.6461 2.7341 2.7341 2.7486 2.7486 3.2907 3.2907 3.2991 3.2991 4.5103 4.5103 4.5247 4.5247 5.4113 5.4113 5.4315 5.4315 6.0549 6.0549 6.0964 6.0964 8.7943 8.7943 8.8015 8.8015 9.4848 9.4848 9.4996 9.4996 10.3864 10.3864 k = 0.5000 0.3849 0.2266 ( 5620 PWs) bands (ev): -4.9990 -4.9990 -4.9972 -4.9972 -3.4037 -3.4037 -3.3911 -3.3911 -1.6393 -1.6393 -1.5889 -1.5889 -1.4863 -1.4863 -1.4143 -1.4143 -1.0264 -1.0264 -0.9393 -0.9393 -0.8623 -0.8623 -0.8186 -0.8186 -0.7772 -0.7772 -0.7009 -0.7009 0.5852 0.5852 0.6156 0.6156 2.7776 2.7776 2.7925 2.7925 3.2864 3.2864 3.2951 3.2951 4.5374 4.5374 4.5521 4.5521 5.3775 5.3775 5.3972 5.3972 6.0656 6.0656 6.1053 6.1053 8.7670 8.7670 8.7753 8.7753 9.4265 9.4265 9.4408 9.4408 10.3853 10.3853 k = 0.5000 0.3849 0.2060 ( 5602 PWs) bands (ev): -5.0058 -5.0058 -5.0041 -5.0041 -3.3935 -3.3935 -3.3810 -3.3810 -1.6375 -1.6375 -1.5894 -1.5894 -1.4800 -1.4800 -1.4100 -1.4100 -1.0251 -1.0251 -0.9403 -0.9403 -0.8599 -0.8599 -0.8153 -0.8153 -0.7783 -0.7783 -0.7002 -0.7002 0.5544 0.5544 0.5841 0.5841 2.8201 2.8201 2.8353 2.8353 3.2815 3.2815 3.2906 3.2906 4.5678 4.5678 4.5827 4.5827 5.3435 5.3435 5.3627 5.3627 6.0770 6.0770 6.1147 6.1147 8.7448 8.7448 8.7545 8.7545 9.3701 9.3701 9.3841 9.3841 10.3711 10.3711 k = 0.5000 0.3849 0.1854 ( 5610 PWs) bands (ev): -5.0123 -5.0123 -5.0107 -5.0107 -3.3836 -3.3836 -3.3716 -3.3716 -1.6354 -1.6354 -1.5903 -1.5903 -1.4733 -1.4733 -1.4061 -1.4061 -1.0234 -1.0234 -0.9421 -0.9421 -0.8567 -0.8567 -0.8123 -0.8123 -0.7790 -0.7790 -0.7001 -0.7001 0.5237 0.5237 0.5523 0.5523 2.8613 2.8613 2.8767 2.8767 3.2758 3.2758 3.2852 3.2852 4.6009 4.6009 4.6161 4.6161 5.3092 5.3092 5.3280 5.3280 6.0887 6.0887 6.1242 6.1242 8.7284 8.7284 8.7396 8.7396 9.3156 9.3156 9.3294 9.3294 10.3418 10.3418 k = 0.5000 0.3849 0.1648 ( 5620 PWs) bands (ev): -5.0182 -5.0182 -5.0167 -5.0167 -3.3742 -3.3742 -3.3628 -3.3628 -1.6330 -1.6330 -1.5916 -1.5916 -1.4662 -1.4662 -1.4028 -1.4028 -1.0212 -1.0212 -0.9447 -0.9447 -0.8526 -0.8526 -0.8098 -0.8098 -0.7788 -0.7788 -0.7005 -0.7005 0.4939 0.4939 0.5211 0.5211 2.9009 2.9009 2.9163 2.9163 3.2692 3.2692 3.2789 3.2789 4.6364 4.6364 4.6519 4.6519 5.2747 5.2747 5.2931 5.2931 6.1006 6.1006 6.1335 6.1335 8.7184 8.7184 8.7311 8.7311 9.2629 9.2629 9.2767 9.2767 10.2970 10.2970 k = 0.5000 0.3849 0.1442 ( 5624 PWs) bands (ev): -5.0235 -5.0235 -5.0222 -5.0222 -3.3655 -3.3655 -3.3549 -3.3549 -1.6304 -1.6304 -1.5930 -1.5930 -1.4588 -1.4588 -1.4002 -1.4002 -1.0184 -1.0184 -0.9480 -0.9480 -0.8479 -0.8479 -0.8079 -0.8079 -0.7773 -0.7773 -0.7016 -0.7016 0.4658 0.4658 0.4911 0.4911 2.9385 2.9385 2.9537 2.9537 3.2614 3.2614 3.2715 3.2715 4.6739 4.6739 4.6895 4.6895 5.2399 5.2399 5.2578 5.2578 6.1122 6.1122 6.1421 6.1421 8.7153 8.7153 8.7294 8.7294 9.2118 9.2118 9.2257 9.2257 10.2398 10.2398 k = 0.5000 0.3849 0.1236 ( 5620 PWs) bands (ev): -5.0283 -5.0283 -5.0271 -5.0271 -3.3574 -3.3574 -3.3479 -3.3479 -1.6275 -1.6275 -1.5947 -1.5947 -1.4513 -1.4513 -1.3985 -1.3985 -1.0151 -1.0151 -0.9521 -0.9521 -0.8428 -0.8428 -0.8070 -0.8070 -0.7744 -0.7744 -0.7035 -0.7035 0.4402 0.4402 0.4631 0.4631 2.9739 2.9739 2.9889 2.9889 3.2525 3.2525 3.2629 3.2629 4.7127 4.7127 4.7285 4.7285 5.2048 5.2048 5.2223 5.2223 6.1232 6.1232 6.1498 6.1498 8.7194 8.7194 8.7348 8.7348 9.1620 9.1620 9.1763 9.1763 10.1757 10.1757 k = 0.5000 0.3849 0.1030 ( 5618 PWs) bands (ev): -5.0324 -5.0324 -5.0314 -5.0314 -3.3502 -3.3502 -3.3419 -3.3419 -1.6245 -1.6245 -1.5966 -1.5966 -1.4437 -1.4437 -1.3978 -1.3978 -1.0112 -1.0112 -0.9567 -0.9567 -0.8376 -0.8376 -0.8070 -0.8070 -0.7700 -0.7700 -0.7063 -0.7063 0.4176 0.4176 0.4377 0.4377 3.0069 3.0069 3.0215 3.0215 3.2424 3.2424 3.2530 3.2530 4.7525 4.7525 4.7683 4.7683 5.1693 5.1693 5.1864 5.1864 6.1334 6.1334 6.1564 6.1564 8.7306 8.7306 8.7470 8.7470 9.1132 9.1132 9.1280 9.1280 10.1112 10.1112 k = 0.5000 0.3849 0.0824 ( 5598 PWs) bands (ev): -5.0357 -5.0357 -5.0349 -5.0349 -3.3439 -3.3439 -3.3371 -3.3371 -1.6213 -1.6213 -1.5987 -1.5987 -1.4362 -1.4362 -1.3982 -1.3982 -1.0067 -1.0067 -0.9618 -0.9618 -0.8326 -0.8326 -0.8077 -0.8077 -0.7642 -0.7642 -0.7100 -0.7100 0.3988 0.3988 0.4156 0.4156 3.0374 3.0374 3.0513 3.0513 3.2312 3.2312 3.2419 3.2419 4.7925 4.7925 4.8083 4.8083 5.1338 5.1338 5.1504 5.1504 6.1426 6.1426 6.1615 6.1615 8.7488 8.7488 8.7661 8.7661 9.0653 9.0653 9.0807 9.0807 10.0518 10.0519 k = 0.5000 0.3849 0.0618 ( 5594 PWs) bands (ev): -5.0384 -5.0384 -5.0378 -5.0378 -3.3388 -3.3388 -3.3335 -3.3335 -1.6182 -1.6182 -1.6010 -1.6010 -1.4290 -1.4290 -1.3997 -1.3997 -1.0018 -1.0018 -0.9673 -0.9673 -0.8279 -0.8279 -0.8092 -0.8092 -0.7573 -0.7573 -0.7148 -0.7148 0.3841 0.3841 0.3972 0.3972 3.0648 3.0648 3.0776 3.0776 3.2193 3.2193 3.2296 3.2296 4.8321 4.8321 4.8474 4.8474 5.0985 5.0985 5.1144 5.1144 6.1505 6.1505 6.1650 6.1650 8.7735 8.7735 8.7913 8.7913 9.0182 9.0182 9.0342 9.0342 10.0020 10.0020 k = 0.5000 0.3849 0.0412 ( 5594 PWs) bands (ev): -5.0402 -5.0402 -5.0398 -5.0398 -3.3348 -3.3348 -3.3312 -3.3312 -1.6151 -1.6151 -1.6036 -1.6036 -1.4222 -1.4222 -1.4023 -1.4023 -0.9965 -0.9965 -0.9731 -0.9731 -0.8237 -0.8237 -0.8112 -0.8112 -0.7498 -0.7498 -0.7205 -0.7205 0.3740 0.3740 0.3830 0.3830 3.0886 3.0886 3.0995 3.0995 3.2077 3.2077 3.2169 3.2169 4.8699 4.8699 4.8840 4.8840 5.0650 5.0650 5.0795 5.0795 6.1570 6.1570 6.1669 6.1669 8.8039 8.8039 8.8218 8.8218 8.9723 8.9723 8.9888 8.9888 9.9649 9.9649 k = 0.5000 0.3849 0.0206 ( 5618 PWs) bands (ev): -5.0413 -5.0413 -5.0411 -5.0411 -3.3320 -3.3320 -3.3302 -3.3302 -1.6122 -1.6122 -1.6064 -1.6064 -1.4161 -1.4161 -1.4060 -1.4060 -0.9909 -0.9909 -0.9791 -0.9791 -0.8200 -0.8200 -0.8138 -0.8138 -0.7421 -0.7421 -0.7272 -0.7272 0.3688 0.3688 0.3733 0.3733 3.1072 3.1072 3.1141 3.1141 3.1991 3.1991 3.2052 3.2052 4.9029 4.9029 4.9131 4.9131 5.0379 5.0379 5.0483 5.0483 6.1620 6.1620 6.1670 6.1670 8.8386 8.8386 8.8554 8.8554 8.9294 8.9294 8.9455 8.9455 9.9423 9.9426 k = 0.5000 0.3849 0.0000 ( 5620 PWs) bands (ev): -5.0416 -5.0416 -5.0416 -5.0416 -3.3304 -3.3304 -3.3304 -3.3304 -1.6092 -1.6092 -1.6092 -1.6092 -1.4106 -1.4106 -1.4106 -1.4106 -0.9851 -0.9851 -0.9851 -0.9851 -0.8167 -0.8167 -0.8167 -0.8167 -0.7345 -0.7345 -0.7345 -0.7345 0.3686 0.3686 0.3686 0.3686 3.1171 3.1171 3.1171 3.1171 3.1979 3.1979 3.1979 3.1979 4.9219 4.9219 4.9219 4.9219 5.0298 5.0298 5.0298 5.0298 6.1653 6.1653 6.1653 6.1653 8.8709 8.8709 8.8709 8.8709 8.9107 8.9107 8.9107 8.9107 9.9356 9.9356 k = 0.0000 0.0000 0.8196 ( 5572 PWs) bands (ev): -4.8755 -4.8755 -4.8727 -4.8727 -3.5060 -3.5060 -3.4998 -3.4998 -1.5729 -1.5729 -1.5609 -1.5609 -1.4662 -1.4662 -1.4180 -1.4180 -0.9824 -0.9824 -0.9267 -0.9267 -0.8468 -0.8468 -0.8258 -0.8258 -0.7465 -0.7465 -0.7146 -0.7146 0.2009 0.2009 0.2171 0.2171 2.2018 2.2018 2.2211 2.2211 3.3391 3.3391 3.3392 3.3392 5.0345 5.0345 5.0419 5.0419 5.9910 5.9910 6.0006 6.0006 6.4043 6.4043 6.4088 6.4088 8.7948 8.7948 8.7995 8.7995 9.8418 9.8418 9.8559 9.8559 10.5862 10.5862 k = 0.0156 0.0120 0.8196 ( 5576 PWs) bands (ev): -4.8755 -4.8755 -4.8728 -4.8726 -3.5066 -3.5055 -3.5002 -3.4994 -1.5755 -1.5702 -1.5630 -1.5590 -1.4678 -1.4644 -1.4196 -1.4169 -0.9883 -0.9763 -0.9294 -0.9239 -0.8481 -0.8455 -0.8272 -0.8244 -0.7474 -0.7461 -0.7170 -0.7131 0.2023 0.2025 0.2165 0.2207 2.1952 2.1974 2.2140 2.2168 3.3441 3.3452 3.3462 3.3470 5.0336 5.0342 5.0411 5.0414 5.9907 5.9910 6.0000 6.0008 6.4006 6.4017 6.4047 6.4067 8.7983 8.7992 8.8030 8.8038 9.8404 9.8408 9.8544 9.8548 10.5859 10.5866 k = 0.0312 0.0241 0.8196 ( 5580 PWs) bands (ev): -4.8755 -4.8754 -4.8729 -4.8725 -3.5072 -3.5051 -3.5007 -3.4991 -1.5778 -1.5673 -1.5650 -1.5570 -1.4694 -1.4626 -1.4216 -1.4162 -0.9942 -0.9702 -0.9321 -0.9210 -0.8495 -0.8442 -0.8287 -0.8231 -0.7489 -0.7462 -0.7203 -0.7127 0.2069 0.2073 0.2189 0.2273 2.1784 2.1826 2.1963 2.2017 3.3614 3.3638 3.3656 3.3670 5.0315 5.0326 5.0391 5.0398 5.9901 5.9904 5.9989 6.0007 6.3907 6.3930 6.3945 6.3983 8.8095 8.8114 8.8142 8.8158 9.8367 9.8374 9.8503 9.8511 10.5861 10.5874 k = 0.0469 0.0361 0.8196 ( 5576 PWs) bands (ev): -4.8755 -4.8754 -4.8729 -4.8723 -3.5078 -3.5046 -3.5013 -3.4989 -1.5800 -1.5670 -1.5642 -1.5550 -1.4708 -1.4607 -1.4239 -1.4158 -0.9998 -0.9641 -0.9346 -0.9180 -0.8510 -0.8429 -0.8301 -0.8216 -0.7508 -0.7466 -0.7245 -0.7132 0.2143 0.2150 0.2243 0.2368 2.1526 2.1585 2.1693 2.1770 3.3899 3.3937 3.3961 3.3979 5.0281 5.0297 5.0358 5.0369 5.9892 5.9894 5.9972 6.0002 6.3750 6.3786 6.3788 6.3841 8.8282 8.8309 8.8329 8.8351 9.8305 9.8315 9.8434 9.8446 10.5867 10.5888 k = 0.0625 0.0481 0.8196 ( 5588 PWs) bands (ev): -4.8754 -4.8753 -4.8730 -4.8722 -3.5085 -3.5043 -3.5020 -3.4988 -1.5819 -1.5690 -1.5610 -1.5532 -1.4720 -1.4589 -1.4265 -1.4160 -1.0053 -0.9580 -0.9371 -0.9149 -0.8526 -0.8416 -0.8318 -0.8202 -0.7531 -0.7476 -0.7293 -0.7145 0.2245 0.2254 0.2324 0.2488 2.1197 2.1270 2.1348 2.1447 3.4276 3.4329 3.4355 3.4378 5.0235 5.0256 5.0313 5.0327 5.9878 5.9880 5.9950 5.9993 6.3542 6.3583 6.3594 6.3647 8.8539 8.8572 8.8584 8.8613 9.8215 9.8227 9.8335 9.8351 10.5883 10.5910 k = 0.0781 0.0601 0.8196 ( 5582 PWs) bands (ev): -4.8754 -4.8751 -4.8730 -4.8720 -3.5091 -3.5039 -3.5027 -3.4987 -1.5836 -1.5709 -1.5577 -1.5514 -1.4730 -1.4571 -1.4293 -1.4165 -1.0105 -0.9519 -0.9394 -0.9117 -0.8543 -0.8402 -0.8336 -0.8186 -0.7557 -0.7487 -0.7347 -0.7166 0.2370 0.2382 0.2430 0.2630 2.0816 2.0899 2.0951 2.1066 3.4725 3.4794 3.4819 3.4846 5.0176 5.0202 5.0255 5.0272 5.9854 5.9868 5.9921 5.9983 6.3291 6.3341 6.3362 6.3408 8.8859 8.8897 8.8902 8.8938 9.8095 9.8109 9.8204 9.8224 10.5911 10.5944 k = 0.0938 0.0722 0.8196 ( 5580 PWs) bands (ev): -4.8753 -4.8750 -4.8730 -4.8719 -3.5098 -3.5037 -3.5033 -3.4987 -1.5850 -1.5729 -1.5542 -1.5496 -1.4737 -1.4553 -1.4324 -1.4174 -1.0154 -0.9458 -0.9416 -0.9083 -0.8563 -0.8388 -0.8356 -0.8169 -0.7587 -0.7500 -0.7405 -0.7193 0.2515 0.2530 0.2558 0.2792 2.0403 2.0493 2.0520 2.0649 3.5225 3.5309 3.5331 3.5363 5.0104 5.0134 5.0183 5.0204 5.9823 5.9854 5.9883 5.9970 6.3008 6.3073 6.3102 6.3136 8.9235 8.9275 8.9276 8.9316 9.7942 9.7956 9.8037 9.8061 10.5955 10.5994 k = 0.1094 0.0842 0.8196 ( 5574 PWs) bands (ev): -4.8752 -4.8749 -4.8731 -4.8717 -3.5105 -3.5040 -3.5034 -3.4989 -1.5863 -1.5747 -1.5508 -1.5479 -1.4741 -1.4536 -1.4356 -1.4187 -1.0199 -0.9437 -0.9398 -0.9048 -0.8585 -0.8378 -0.8372 -0.8152 -0.7618 -0.7514 -0.7465 -0.7225 0.2674 0.2692 0.2703 0.2968 1.9976 2.0069 2.0072 2.0212 3.5756 3.5856 3.5871 3.5909 5.0020 5.0053 5.0099 5.0123 5.9782 5.9837 5.9840 5.9955 6.2705 6.2793 6.2827 6.2841 8.9659 8.9694 8.9701 8.9740 9.7753 9.7766 9.7833 9.7861 10.6017 10.6062 k = 0.1250 0.0962 0.8196 ( 5582 PWs) bands (ev): -4.8751 -4.8747 -4.8731 -4.8716 -3.5111 -3.5047 -3.5032 -3.4990 -1.5873 -1.5765 -1.5474 -1.5464 -1.4743 -1.4522 -1.4389 -1.4202 -1.0241 -0.9457 -0.9339 -0.9012 -0.8609 -0.8403 -0.8356 -0.8134 -0.7652 -0.7528 -0.7527 -0.7261 0.2844 0.2860 0.2864 0.3152 1.9549 1.9625 1.9644 1.9773 3.6300 3.6415 3.6421 3.6466 4.9924 4.9960 5.0001 5.0030 5.9732 5.9781 5.9827 5.9939 6.2394 6.2513 6.2535 6.2550 9.0123 9.0152 9.0164 9.0202 9.7526 9.7537 9.7589 9.7620 10.6100 10.6153 k = 0.1406 0.1083 0.8196 ( 5586 PWs) bands (ev): -4.8750 -4.8745 -4.8731 -4.8714 -3.5117 -3.5054 -3.5029 -3.4992 -1.5881 -1.5783 -1.5450 -1.5441 -1.4741 -1.4508 -1.4423 -1.4220 -1.0278 -0.9475 -0.9280 -0.8975 -0.8635 -0.8430 -0.8339 -0.8114 -0.7687 -0.7588 -0.7540 -0.7299 0.3016 0.3023 0.3039 0.3340 1.9138 1.9192 1.9231 1.9346 3.6840 3.6965 3.6969 3.7018 4.9819 4.9856 4.9893 4.9927 5.9671 5.9715 5.9815 5.9921 6.2086 6.2229 6.2247 6.2285 9.0618 9.0641 9.0656 9.0695 9.7260 9.7267 9.7306 9.7339 10.6203 10.6264 k = 0.1562 0.1203 0.8196 ( 5578 PWs) bands (ev): -4.8749 -4.8744 -4.8731 -4.8713 -3.5123 -3.5060 -3.5027 -3.4995 -1.5886 -1.5799 -1.5437 -1.5409 -1.4736 -1.4495 -1.4457 -1.4238 -1.0311 -0.9491 -0.9222 -0.8936 -0.8664 -0.8460 -0.8321 -0.8093 -0.7721 -0.7646 -0.7549 -0.7337 0.3186 0.3186 0.3210 0.3523 1.8755 1.8786 1.8843 1.8943 3.7358 3.7485 3.7501 3.7546 4.9707 4.9744 4.9776 4.9816 5.9601 5.9640 5.9804 5.9902 6.1794 6.1935 6.2005 6.2042 9.1137 9.1153 9.1171 9.1209 9.6954 9.6958 9.6984 9.7018 10.6323 10.6394 k = 0.1719 0.1323 0.8196 ( 5566 PWs) bands (ev): -4.8748 -4.8742 -4.8732 -4.8711 -3.5128 -3.5065 -3.5025 -3.4998 -1.5889 -1.5814 -1.5425 -1.5379 -1.4728 -1.4490 -1.4484 -1.4257 -1.0339 -0.9505 -0.9165 -0.8896 -0.8696 -0.8492 -0.8301 -0.8070 -0.7755 -0.7701 -0.7555 -0.7374 0.3342 0.3346 0.3370 0.3696 1.8412 1.8419 1.8492 1.8575 3.7838 3.7966 3.7995 3.8035 4.9593 4.9630 4.9656 4.9703 5.9523 5.9558 5.9796 5.9882 6.1529 6.1664 6.1798 6.1831 9.1672 9.1680 9.1701 9.1738 9.6609 9.6610 9.6624 9.6658 10.6455 10.6540 k = 0.1875 0.1444 0.8196 ( 5558 PWs) bands (ev): -4.8747 -4.8740 -4.8732 -4.8710 -3.5132 -3.5070 -3.5023 -3.5001 -1.5889 -1.5829 -1.5416 -1.5352 -1.4716 -1.4523 -1.4475 -1.4274 -1.0362 -0.9517 -0.9109 -0.8856 -0.8730 -0.8528 -0.8283 -0.8047 -0.7789 -0.7750 -0.7556 -0.7409 0.3484 0.3490 0.3513 0.3851 1.8101 1.8118 1.8189 1.8254 3.8262 3.8391 3.8433 3.8467 4.9483 4.9520 4.9537 4.9593 5.9445 5.9474 5.9790 5.9862 6.1301 6.1427 6.1630 6.1658 9.2217 9.2217 9.2239 9.2276 9.6224 9.6229 9.6229 9.6262 10.6592 10.6687 k = 0.2031 0.1564 0.8196 ( 5570 PWs) bands (ev): -4.8747 -4.8739 -4.8733 -4.8710 -3.5136 -3.5074 -3.5021 -3.5004 -1.5889 -1.5843 -1.5408 -1.5331 -1.4702 -1.4555 -1.4468 -1.4290 -1.0381 -0.9527 -0.9055 -0.8819 -0.8765 -0.8566 -0.8265 -0.8024 -0.7822 -0.7793 -0.7554 -0.7443 0.3605 0.3610 0.3630 0.3981 1.7842 1.7884 1.7942 1.7989 3.8615 3.8744 3.8799 3.8826 4.9386 4.9420 4.9429 4.9495 5.9372 5.9395 5.9787 5.9842 6.1118 6.1231 6.1502 6.1524 9.2757 9.2766 9.2780 9.2815 9.5803 9.5806 9.5815 9.5832 10.6722 10.6815 k = 0.2188 0.1684 0.8196 ( 5566 PWs) bands (ev): -4.8746 -4.8738 -4.8733 -4.8709 -3.5138 -3.5077 -3.5018 -3.5007 -1.5886 -1.5854 -1.5403 -1.5314 -1.4684 -1.4585 -1.4463 -1.4302 -1.0394 -0.9534 -0.9003 -0.8818 -0.8766 -0.8605 -0.8250 -0.8000 -0.7851 -0.7825 -0.7547 -0.7472 0.3699 0.3700 0.3717 0.4079 1.7651 1.7716 1.7760 1.7788 3.8881 3.9009 3.9076 3.9094 4.9310 4.9340 4.9340 4.9416 5.9314 5.9330 5.9785 5.9825 6.0985 6.1084 6.1415 6.1429 9.3293 9.3311 9.3315 9.3350 9.5349 9.5358 9.5371 9.5373 10.6830 10.6912 k = 0.2344 0.1804 0.8196 ( 5568 PWs) bands (ev): -4.8746 -4.8736 -4.8734 -4.8708 -3.5140 -3.5078 -3.5016 -3.5010 -1.5881 -1.5865 -1.5400 -1.5304 -1.4663 -1.4614 -1.4460 -1.4310 -1.0402 -0.9538 -0.8952 -0.8858 -0.8728 -0.8645 -0.8240 -0.7980 -0.7876 -0.7847 -0.7535 -0.7498 0.3757 0.3759 0.3769 0.4140 1.7533 1.7620 1.7648 1.7657 3.9046 3.9174 3.9250 3.9260 4.9264 4.9279 4.9288 4.9365 5.9277 5.9285 5.9785 5.9813 6.0904 6.0994 6.1365 6.1372 9.3816 9.3836 9.3848 9.3872 9.4876 9.4888 9.4890 9.4904 10.6908 10.6976 k = 0.2500 0.1925 0.8196 ( 5564 PWs) bands (ev): -4.8746 -4.8735 -4.8735 -4.8708 -3.5140 -3.5079 -3.5013 -3.5013 -1.5874 -1.5873 -1.5398 -1.5300 -1.4639 -1.4639 -1.4459 -1.4312 -1.0404 -0.9540 -0.8903 -0.8903 -0.8686 -0.8686 -0.8236 -0.7970 -0.7887 -0.7854 -0.7519 -0.7519 0.3776 0.3784 0.3784 0.4161 1.7493 1.7600 1.7600 1.7610 3.9103 3.9229 3.9313 3.9313 4.9253 4.9253 4.9270 4.9347 5.9267 5.9267 5.9785 5.9809 6.0877 6.0963 6.1351 6.1351 9.4223 9.4223 9.4291 9.4321 9.4433 9.4503 9.4503 9.4503 10.6945 10.6956 Writing output data file CdSiP2.save init_run : 5.29s CPU 14.17s WALL ( 1 calls) electrons : 2181.89s CPU 2195.38s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.51s CPU 1.83s WALL ( 1 calls) Called by electrons: c_bands : 2181.84s CPU 2194.96s WALL ( 1 calls) v_of_rho : 0.16s CPU 1.01s WALL ( 1 calls) v_h : 0.01s CPU 0.06s WALL ( 1 calls) v_xc : 0.15s CPU 0.56s WALL ( 1 calls) newd : 1.73s CPU 1.82s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.16s WALL ( 280 calls) cegterg : 2072.08s CPU 2082.18s WALL ( 1265 calls) Called by sum_band: Called by *egterg: h_psi : 1073.36s CPU 1090.16s WALL ( 24968 calls) s_psi : 113.54s CPU 114.37s WALL ( 24968 calls) g_psi : 1.28s CPU 1.35s WALL ( 23423 calls) cdiaghg : 700.08s CPU 694.61s WALL ( 23703 calls) cegterg:over : 111.73s CPU 106.24s WALL ( 23423 calls) cegterg:upda : 30.12s CPU 37.14s WALL ( 23423 calls) cegterg:last : 19.06s CPU 19.89s WALL ( 2420 calls) Called by h_psi: h_psi:vloc : 856.22s CPU 870.09s WALL ( 24968 calls) h_psi:vnl : 216.37s CPU 218.35s WALL ( 24968 calls) add_vuspsi : 87.87s CPU 95.94s WALL ( 24968 calls) General routines calbec : 128.38s CPU 122.17s WALL ( 24968 calls) fft : 0.32s CPU 1.14s WALL ( 19 calls) ffts : 0.01s CPU 0.06s WALL ( 4 calls) fftw : 697.93s CPU 701.38s WALL ( 1834764 calls) interpolate : 0.05s CPU 0.11s WALL ( 4 calls) davcio : 0.01s CPU 2.83s WALL ( 560 calls) Parallel routines fft_scatter : 411.37s CPU 406.85s WALL ( 1834787 calls) PWSCF : 37m46.98s CPU 42m19.44s WALL This run was terminated on: 1:18:19 15Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=