Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 6:35:30 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./MgxClO3x2.save/ file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 53 33 9 2582 1226 180 Max 54 34 10 2587 1251 183 Sum 3885 2381 661 186137 88949 13083 bravais-lattice index = 14 lattice parameter (alat) = 11.5386 a.u. unit-cell volume = 1453.3773 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 3 number of electrons = 60.00 number of Kohn-Sham states= 72 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 386.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.538650 celldm(2)= 1.000000 celldm(3)= 0.999019 celldm(4)= 0.056550 celldm(5)= 0.056550 celldm(6)= 0.314402 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.314402 0.949290 0.000000 ) a(3) = ( 0.056495 0.040802 0.996585 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.331197 -0.043129 ) b(2) = ( 0.000000 1.053419 -0.043129 ) b(3) = ( 0.000000 0.000000 1.003426 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cl read from file: /users/gautes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 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 Mg read from file: /users/gautes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1129 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Cl 7.00 35.45300 Cl( 1.00) Mg 10.00 24.30500 Mg( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 255 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039216 k( 2) = ( 0.0156250 0.0112847 -0.0013478), wk = 0.0039216 k( 3) = ( 0.0312500 0.0225694 -0.0026955), wk = 0.0039216 k( 4) = ( 0.0468750 0.0338542 -0.0040433), wk = 0.0039216 k( 5) = ( 0.0625000 0.0451389 -0.0053911), wk = 0.0039216 k( 6) = ( 0.0781250 0.0564236 -0.0067388), wk = 0.0039216 k( 7) = ( 0.0937500 0.0677083 -0.0080866), wk = 0.0039216 k( 8) = ( 0.1093750 0.0789931 -0.0094344), wk = 0.0039216 k( 9) = ( 0.1250000 0.0902778 -0.0107821), wk = 0.0039216 k( 10) = ( 0.1406250 0.1015625 -0.0121299), wk = 0.0039216 k( 11) = ( 0.1562500 0.1128472 -0.0134777), wk = 0.0039216 k( 12) = ( 0.1718750 0.1241319 -0.0148254), wk = 0.0039216 k( 13) = ( 0.1875000 0.1354167 -0.0161732), wk = 0.0039216 k( 14) = ( 0.2031250 0.1467014 -0.0175210), wk = 0.0039216 k( 15) = ( 0.2187500 0.1579861 -0.0188687), wk = 0.0039216 k( 16) = ( 0.2343750 0.1692708 -0.0202165), wk = 0.0039216 k( 17) = ( 0.2500000 0.1805556 -0.0215643), wk = 0.0039216 k( 18) = ( 0.2656250 0.1918403 -0.0229120), wk = 0.0039216 k( 19) = ( 0.2812500 0.2031250 -0.0242598), wk = 0.0039216 k( 20) = ( 0.2968750 0.2144097 -0.0256076), wk = 0.0039216 k( 21) = ( 0.3125000 0.2256944 -0.0269553), wk = 0.0039216 k( 22) = ( 0.3281250 0.2369792 -0.0283031), wk = 0.0039216 k( 23) = ( 0.3437500 0.2482639 -0.0296509), wk = 0.0039216 k( 24) = ( 0.3593750 0.2595486 -0.0309986), wk = 0.0039216 k( 25) = ( 0.3750000 0.2708333 -0.0323464), wk = 0.0039216 k( 26) = ( 0.3906250 0.2821181 -0.0336942), wk = 0.0039216 k( 27) = ( 0.4062500 0.2934028 -0.0350419), wk = 0.0039216 k( 28) = ( 0.4218750 0.3046875 -0.0363897), wk = 0.0039216 k( 29) = ( 0.4375000 0.3159722 -0.0377375), wk = 0.0039216 k( 30) = ( 0.4531250 0.3272569 -0.0390852), wk = 0.0039216 k( 31) = ( 0.4687500 0.3385417 -0.0404330), wk = 0.0039216 k( 32) = ( 0.4843750 0.3498264 -0.0417808), wk = 0.0039216 k( 33) = ( 0.5000000 0.3611111 -0.0431285), wk = 0.0039216 k( 34) = ( 0.5000000 0.3611111 -0.0431285), wk = 0.0039216 k( 35) = ( 0.5010832 0.3618934 -0.0240208), wk = 0.0039216 k( 36) = ( 0.5021664 0.3626757 -0.0049131), wk = 0.0039216 k( 37) = ( 0.5032495 0.3634580 0.0141946), wk = 0.0039216 k( 38) = ( 0.5043327 0.3642403 0.0333022), wk = 0.0039216 k( 39) = ( 0.5054159 0.3650226 0.0524099), wk = 0.0039216 k( 40) = ( 0.5064991 0.3658049 0.0715176), wk = 0.0039216 k( 41) = ( 0.5075823 0.3665872 0.0906253), wk = 0.0039216 k( 42) = ( 0.5086654 0.3673695 0.1097330), wk = 0.0039216 k( 43) = ( 0.5097486 0.3681518 0.1288407), wk = 0.0039216 k( 44) = ( 0.5108318 0.3689341 0.1479484), wk = 0.0039216 k( 45) = ( 0.5119150 0.3697164 0.1670561), wk = 0.0039216 k( 46) = ( 0.5129982 0.3704987 0.1861638), wk = 0.0039216 k( 47) = ( 0.5140813 0.3712810 0.2052715), wk = 0.0039216 k( 48) = ( 0.5151645 0.3720633 0.2243792), wk = 0.0039216 k( 49) = ( 0.5162477 0.3728456 0.2434869), wk = 0.0039216 k( 50) = ( 0.5173309 0.3736279 0.2625946), wk = 0.0039216 k( 51) = ( 0.5184141 0.3744102 0.2817023), wk = 0.0039216 k( 52) = ( 0.5194973 0.3751925 0.3008100), wk = 0.0039216 k( 53) = ( 0.5205804 0.3759748 0.3199177), wk = 0.0039216 k( 54) = ( 0.5216636 0.3767571 0.3390254), wk = 0.0039216 k( 55) = ( 0.5227468 0.3775394 0.3581331), wk = 0.0039216 k( 56) = ( 0.5238300 0.3783217 0.3772408), wk = 0.0039216 k( 57) = ( 0.5249132 0.3791039 0.3963484), wk = 0.0039216 k( 58) = ( 0.5259964 0.3798863 0.4154561), wk = 0.0039216 k( 59) = ( 0.5259964 0.3798863 0.4154561), wk = 0.0039216 k( 60) = ( 0.5173309 0.3736279 0.4298323), wk = 0.0039216 k( 61) = ( 0.5086654 0.3673695 0.4442085), wk = 0.0039216 k( 62) = ( 0.5000000 0.3611111 0.4585847), wk = 0.0039216 k( 63) = ( 0.5000000 0.3611111 0.4585847), wk = 0.0039216 k( 64) = ( 0.5111497 0.3456731 0.4585847), wk = 0.0039216 k( 65) = ( 0.5222994 0.3302351 0.4585847), wk = 0.0039216 k( 66) = ( 0.5334490 0.3147970 0.4585847), wk = 0.0039216 k( 67) = ( 0.5445987 0.2993590 0.4585847), wk = 0.0039216 k( 68) = ( 0.5557484 0.2839210 0.4585847), wk = 0.0039216 k( 69) = ( 0.5668981 0.2684830 0.4585847), wk = 0.0039216 k( 70) = ( 0.5780478 0.2530449 0.4585847), wk = 0.0039216 k( 71) = ( 0.5891975 0.2376069 0.4585847), wk = 0.0039216 k( 72) = ( 0.6003472 0.2221689 0.4585847), wk = 0.0039216 k( 73) = ( 0.6114968 0.2067309 0.4585847), wk = 0.0039216 k( 74) = ( 0.6226465 0.1912928 0.4585847), wk = 0.0039216 k( 75) = ( 0.6337962 0.1758548 0.4585847), wk = 0.0039216 k( 76) = ( 0.3662038 -0.5070514 0.5017132), wk = 0.0039216 k( 77) = ( 0.3551067 -0.4916862 0.5017132), wk = 0.0039216 k( 78) = ( 0.3440096 -0.4763210 0.5017132), wk = 0.0039216 k( 79) = ( 0.3329125 -0.4609558 0.5017132), wk = 0.0039216 k( 80) = ( 0.3218154 -0.4455906 0.5017132), wk = 0.0039216 k( 81) = ( 0.3107184 -0.4302254 0.5017132), wk = 0.0039216 k( 82) = ( 0.2996213 -0.4148602 0.5017132), wk = 0.0039216 k( 83) = ( 0.2885242 -0.3994950 0.5017132), wk = 0.0039216 k( 84) = ( 0.2774271 -0.3841298 0.5017132), wk = 0.0039216 k( 85) = ( 0.2663300 -0.3687646 0.5017132), wk = 0.0039216 k( 86) = ( 0.2552329 -0.3533995 0.5017132), wk = 0.0039216 k( 87) = ( 0.2441358 -0.3380343 0.5017132), wk = 0.0039216 k( 88) = ( 0.2330388 -0.3226691 0.5017132), wk = 0.0039216 k( 89) = ( 0.2219417 -0.3073039 0.5017132), wk = 0.0039216 k( 90) = ( 0.2108446 -0.2919387 0.5017132), wk = 0.0039216 k( 91) = ( 0.1997475 -0.2765735 0.5017132), wk = 0.0039216 k( 92) = ( 0.1886504 -0.2612083 0.5017132), wk = 0.0039216 k( 93) = ( 0.1775533 -0.2458431 0.5017132), wk = 0.0039216 k( 94) = ( 0.1664563 -0.2304779 0.5017132), wk = 0.0039216 k( 95) = ( 0.1553592 -0.2151127 0.5017132), wk = 0.0039216 k( 96) = ( 0.1442621 -0.1997475 0.5017132), wk = 0.0039216 k( 97) = ( 0.1331650 -0.1843823 0.5017132), wk = 0.0039216 k( 98) = ( 0.1220679 -0.1690171 0.5017132), wk = 0.0039216 k( 99) = ( 0.1109708 -0.1536519 0.5017132), wk = 0.0039216 k( 100) = ( 0.0998738 -0.1382867 0.5017132), wk = 0.0039216 k( 101) = ( 0.0887767 -0.1229215 0.5017132), wk = 0.0039216 k( 102) = ( 0.0776796 -0.1075564 0.5017132), wk = 0.0039216 k( 103) = ( 0.0665825 -0.0921912 0.5017132), wk = 0.0039216 k( 104) = ( 0.0554854 -0.0768260 0.5017132), wk = 0.0039216 k( 105) = ( 0.0443883 -0.0614608 0.5017132), wk = 0.0039216 k( 106) = ( 0.0332913 -0.0460956 0.5017132), wk = 0.0039216 k( 107) = ( 0.0221942 -0.0307304 0.5017132), wk = 0.0039216 k( 108) = ( 0.0110971 -0.0153652 0.5017132), wk = 0.0039216 k( 109) = ( 0.0000000 0.0000000 0.5017132), wk = 0.0039216 k( 110) = ( 0.0000000 0.0000000 0.5017132), wk = 0.0039216 k( 111) = ( 0.0152904 0.0110431 0.5017132), wk = 0.0039216 k( 112) = ( 0.0305809 0.0220862 0.5017132), wk = 0.0039216 k( 113) = ( 0.0458713 0.0331293 0.5017132), wk = 0.0039216 k( 114) = ( 0.0611618 0.0441724 0.5017132), wk = 0.0039216 k( 115) = ( 0.0764522 0.0552155 0.5017132), wk = 0.0039216 k( 116) = ( 0.0917426 0.0662586 0.5017132), wk = 0.0039216 k( 117) = ( 0.1070331 0.0773017 0.5017132), wk = 0.0039216 k( 118) = ( 0.1223235 0.0883448 0.5017132), wk = 0.0039216 k( 119) = ( 0.1376140 0.0993879 0.5017132), wk = 0.0039216 k( 120) = ( 0.1529044 0.1104310 0.5017132), wk = 0.0039216 k( 121) = ( 0.1681948 0.1214741 0.5017132), wk = 0.0039216 k( 122) = ( 0.1834853 0.1325172 0.5017132), wk = 0.0039216 k( 123) = ( 0.1987757 0.1435602 0.5017132), wk = 0.0039216 k( 124) = ( 0.2140662 0.1546033 0.5017132), wk = 0.0039216 k( 125) = ( 0.2293566 0.1656464 0.5017132), wk = 0.0039216 k( 126) = ( 0.2446471 0.1766895 0.5017132), wk = 0.0039216 k( 127) = ( 0.2599375 0.1877326 0.5017132), wk = 0.0039216 k( 128) = ( 0.2752279 0.1987757 0.5017132), wk = 0.0039216 k( 129) = ( 0.2905184 0.2098188 0.5017132), wk = 0.0039216 k( 130) = ( 0.3058088 0.2208619 0.5017132), wk = 0.0039216 k( 131) = ( 0.3210993 0.2319050 0.5017132), wk = 0.0039216 k( 132) = ( 0.3363897 0.2429481 0.5017132), wk = 0.0039216 k( 133) = ( 0.3516801 0.2539912 0.5017132), wk = 0.0039216 k( 134) = ( 0.3669706 0.2650343 0.5017132), wk = 0.0039216 k( 135) = ( 0.3822610 0.2760774 0.5017132), wk = 0.0039216 k( 136) = ( 0.3975514 0.2871205 0.5017132), wk = 0.0039216 k( 137) = ( 0.4128419 0.2981636 0.5017132), wk = 0.0039216 k( 138) = ( 0.4281323 0.3092067 0.5017132), wk = 0.0039216 k( 139) = ( 0.4434228 0.3202498 0.5017132), wk = 0.0039216 k( 140) = ( 0.4587132 0.3312929 0.5017132), wk = 0.0039216 k( 141) = ( 0.4740036 0.3423360 0.5017132), wk = 0.0039216 k( 142) = ( 0.5000000 0.3611111 -0.0431285), wk = 0.0039216 k( 143) = ( 0.5108147 0.3461370 -0.0431285), wk = 0.0039216 k( 144) = ( 0.5216293 0.3311628 -0.0431285), wk = 0.0039216 k( 145) = ( 0.5324439 0.3161887 -0.0431285), wk = 0.0039216 k( 146) = ( 0.5432586 0.3012146 -0.0431285), wk = 0.0039216 k( 147) = ( 0.5540732 0.2862405 -0.0431285), wk = 0.0039216 k( 148) = ( 0.5648879 0.2712663 -0.0431285), wk = 0.0039216 k( 149) = ( 0.5757025 0.2562922 -0.0431285), wk = 0.0039216 k( 150) = ( 0.5865172 0.2413181 -0.0431285), wk = 0.0039216 k( 151) = ( 0.5973318 0.2263439 -0.0431285), wk = 0.0039216 k( 152) = ( 0.6081465 0.2113698 -0.0431285), wk = 0.0039216 k( 153) = ( 0.6189611 0.1963957 -0.0431285), wk = 0.0039216 k( 154) = ( 0.3810389 -0.5275923 0.0000000), wk = 0.0039216 k( 155) = ( 0.3698318 -0.5120749 0.0000000), wk = 0.0039216 k( 156) = ( 0.3586248 -0.4965574 0.0000000), wk = 0.0039216 k( 157) = ( 0.3474178 -0.4810400 0.0000000), wk = 0.0039216 k( 158) = ( 0.3362108 -0.4655226 0.0000000), wk = 0.0039216 k( 159) = ( 0.3250037 -0.4500052 0.0000000), wk = 0.0039216 k( 160) = ( 0.3137967 -0.4344878 0.0000000), wk = 0.0039216 k( 161) = ( 0.3025897 -0.4189703 0.0000000), wk = 0.0039216 k( 162) = ( 0.2913827 -0.4034529 0.0000000), wk = 0.0039216 k( 163) = ( 0.2801756 -0.3879355 0.0000000), wk = 0.0039216 k( 164) = ( 0.2689686 -0.3724181 0.0000000), wk = 0.0039216 k( 165) = ( 0.2577616 -0.3569007 0.0000000), wk = 0.0039216 k( 166) = ( 0.2465546 -0.3413832 0.0000000), wk = 0.0039216 k( 167) = ( 0.2353475 -0.3258658 0.0000000), wk = 0.0039216 k( 168) = ( 0.2241405 -0.3103484 0.0000000), wk = 0.0039216 k( 169) = ( 0.2129335 -0.2948310 0.0000000), wk = 0.0039216 k( 170) = ( 0.2017265 -0.2793136 0.0000000), wk = 0.0039216 k( 171) = ( 0.1905194 -0.2637961 0.0000000), wk = 0.0039216 k( 172) = ( 0.1793124 -0.2482787 0.0000000), wk = 0.0039216 k( 173) = ( 0.1681054 -0.2327613 0.0000000), wk = 0.0039216 k( 174) = ( 0.1568984 -0.2172439 0.0000000), wk = 0.0039216 k( 175) = ( 0.1456913 -0.2017265 0.0000000), wk = 0.0039216 k( 176) = ( 0.1344843 -0.1862090 0.0000000), wk = 0.0039216 k( 177) = ( 0.1232773 -0.1706916 0.0000000), wk = 0.0039216 k( 178) = ( 0.1120702 -0.1551742 0.0000000), wk = 0.0039216 k( 179) = ( 0.1008632 -0.1396568 0.0000000), wk = 0.0039216 k( 180) = ( 0.0896562 -0.1241394 0.0000000), wk = 0.0039216 k( 181) = ( 0.0784492 -0.1086219 0.0000000), wk = 0.0039216 k( 182) = ( 0.0672422 -0.0931045 0.0000000), wk = 0.0039216 k( 183) = ( 0.0560351 -0.0775871 0.0000000), wk = 0.0039216 k( 184) = ( 0.0448281 -0.0620697 0.0000000), wk = 0.0039216 k( 185) = ( 0.0336211 -0.0465523 0.0000000), wk = 0.0039216 k( 186) = ( 0.0224141 -0.0310348 0.0000000), wk = 0.0039216 k( 187) = ( 0.0112070 -0.0155174 0.0000000), wk = 0.0039216 k( 188) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039216 k( 189) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039216 k( 190) = ( 0.0178571 -0.0059142 -0.0007702), wk = 0.0039216 k( 191) = ( 0.0357143 -0.0118285 -0.0015403), wk = 0.0039216 k( 192) = ( 0.0535714 -0.0177427 -0.0023105), wk = 0.0039216 k( 193) = ( 0.0714286 -0.0236569 -0.0030806), wk = 0.0039216 k( 194) = ( 0.0892857 -0.0295711 -0.0038508), wk = 0.0039216 k( 195) = ( 0.1071429 -0.0354853 -0.0046209), wk = 0.0039216 k( 196) = ( 0.1250000 -0.0413996 -0.0053911), wk = 0.0039216 k( 197) = ( 0.1428571 -0.0473138 -0.0061612), wk = 0.0039216 k( 198) = ( 0.1607143 -0.0532280 -0.0069314), wk = 0.0039216 k( 199) = ( 0.1785714 -0.0591422 -0.0077015), wk = 0.0039216 k( 200) = ( 0.1964286 -0.0650565 -0.0084717), wk = 0.0039216 k( 201) = ( 0.2142857 -0.0709707 -0.0092418), wk = 0.0039216 k( 202) = ( 0.2321429 -0.0768849 -0.0100120), wk = 0.0039216 k( 203) = ( 0.2500000 -0.0827991 -0.0107821), wk = 0.0039216 k( 204) = ( 0.2678571 -0.0887134 -0.0115523), wk = 0.0039216 k( 205) = ( 0.2857143 -0.0946276 -0.0123224), wk = 0.0039216 k( 206) = ( 0.3035714 -0.1005418 -0.0130926), wk = 0.0039216 k( 207) = ( 0.3214286 -0.1064560 -0.0138627), wk = 0.0039216 k( 208) = ( 0.3392857 -0.1123703 -0.0146329), wk = 0.0039216 k( 209) = ( 0.3571429 -0.1182845 -0.0154030), wk = 0.0039216 k( 210) = ( 0.3750000 -0.1241987 -0.0161732), wk = 0.0039216 k( 211) = ( 0.3928571 -0.1301129 -0.0169434), wk = 0.0039216 k( 212) = ( 0.4107143 -0.1360272 -0.0177135), wk = 0.0039216 k( 213) = ( 0.4285714 -0.1419414 -0.0184837), wk = 0.0039216 k( 214) = ( 0.4464286 -0.1478556 -0.0192538), wk = 0.0039216 k( 215) = ( 0.4642857 -0.1537698 -0.0200240), wk = 0.0039216 k( 216) = ( 0.4821429 -0.1596841 -0.0207941), wk = 0.0039216 k( 217) = ( 0.5000000 -0.1655983 -0.0215643), wk = 0.0039216 k( 218) = ( 0.5000000 -0.1655983 0.4801489), wk = 0.0039216 k( 219) = ( 0.4864865 -0.1611227 0.4671719), wk = 0.0039216 k( 220) = ( 0.4729730 -0.1566470 0.4541949), wk = 0.0039216 k( 221) = ( 0.4594595 -0.1521714 0.4412179), wk = 0.0039216 k( 222) = ( 0.4459459 -0.1476958 0.4282410), wk = 0.0039216 k( 223) = ( 0.4324324 -0.1432201 0.4152639), wk = 0.0039216 k( 224) = ( 0.4189189 -0.1387445 0.4022870), wk = 0.0039216 k( 225) = ( 0.4054054 -0.1342689 0.3893100), wk = 0.0039216 k( 226) = ( 0.3918919 -0.1297933 0.3763330), wk = 0.0039216 k( 227) = ( 0.3783784 -0.1253176 0.3633560), wk = 0.0039216 k( 228) = ( 0.3648649 -0.1208420 0.3503790), wk = 0.0039216 k( 229) = ( 0.3513514 -0.1163664 0.3374020), wk = 0.0039216 k( 230) = ( 0.3378378 -0.1118907 0.3244250), wk = 0.0039216 k( 231) = ( 0.3243243 -0.1074151 0.3114480), wk = 0.0039216 k( 232) = ( 0.3108108 -0.1029395 0.2984710), wk = 0.0039216 k( 233) = ( 0.2972973 -0.0984638 0.2854940), wk = 0.0039216 k( 234) = ( 0.2837838 -0.0939882 0.2725170), wk = 0.0039216 k( 235) = ( 0.2702703 -0.0895126 0.2595400), wk = 0.0039216 k( 236) = ( 0.2567568 -0.0850370 0.2465630), wk = 0.0039216 k( 237) = ( 0.2432432 -0.0805613 0.2335860), wk = 0.0039216 k( 238) = ( 0.2297297 -0.0760857 0.2206090), wk = 0.0039216 k( 239) = ( 0.2162162 -0.0716101 0.2076320), wk = 0.0039216 k( 240) = ( 0.2027027 -0.0671344 0.1946550), wk = 0.0039216 k( 241) = ( 0.1891892 -0.0626588 0.1816780), wk = 0.0039216 k( 242) = ( 0.1756757 -0.0581832 0.1687010), wk = 0.0039216 k( 243) = ( 0.1621622 -0.0537076 0.1557240), wk = 0.0039216 k( 244) = ( 0.1486486 -0.0492319 0.1427470), wk = 0.0039216 k( 245) = ( 0.1351351 -0.0447563 0.1297700), wk = 0.0039216 k( 246) = ( 0.1216216 -0.0402807 0.1167930), wk = 0.0039216 k( 247) = ( 0.1081081 -0.0358050 0.1038160), wk = 0.0039216 k( 248) = ( 0.0945946 -0.0313294 0.0908390), wk = 0.0039216 k( 249) = ( 0.0810811 -0.0268538 0.0778620), wk = 0.0039216 k( 250) = ( 0.0675676 -0.0223781 0.0648850), wk = 0.0039216 k( 251) = ( 0.0540540 -0.0179025 0.0519080), wk = 0.0039216 k( 252) = ( 0.0405405 -0.0134269 0.0389310), wk = 0.0039216 k( 253) = ( 0.0270270 -0.0089513 0.0259540), wk = 0.0039216 k( 254) = ( 0.0135135 -0.0044756 0.0129770), wk = 0.0039216 k( 255) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039216 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039216 k( 2) = ( 0.0156250 0.0156250 -0.0000000), wk = 0.0039216 k( 3) = ( 0.0312500 0.0312500 -0.0000000), wk = 0.0039216 k( 4) = ( 0.0468750 0.0468750 0.0000000), wk = 0.0039216 k( 5) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0039216 k( 6) = ( 0.0781250 0.0781250 0.0000000), wk = 0.0039216 k( 7) = ( 0.0937500 0.0937500 0.0000000), wk = 0.0039216 k( 8) = ( 0.1093750 0.1093750 -0.0000000), wk = 0.0039216 k( 9) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0039216 k( 10) = ( 0.1406250 0.1406250 -0.0000000), wk = 0.0039216 k( 11) = ( 0.1562500 0.1562500 0.0000000), wk = 0.0039216 k( 12) = ( 0.1718750 0.1718750 -0.0000000), wk = 0.0039216 k( 13) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0039216 k( 14) = ( 0.2031250 0.2031250 0.0000000), wk = 0.0039216 k( 15) = ( 0.2187500 0.2187500 -0.0000000), wk = 0.0039216 k( 16) = ( 0.2343750 0.2343750 -0.0000000), wk = 0.0039216 k( 17) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0039216 k( 18) = ( 0.2656250 0.2656250 -0.0000000), wk = 0.0039216 k( 19) = ( 0.2812500 0.2812500 -0.0000000), wk = 0.0039216 k( 20) = ( 0.2968750 0.2968750 -0.0000000), wk = 0.0039216 k( 21) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0039216 k( 22) = ( 0.3281250 0.3281250 -0.0000000), wk = 0.0039216 k( 23) = ( 0.3437500 0.3437500 -0.0000000), wk = 0.0039216 k( 24) = ( 0.3593750 0.3593750 -0.0000000), wk = 0.0039216 k( 25) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0039216 k( 26) = ( 0.3906250 0.3906250 0.0000000), wk = 0.0039216 k( 27) = ( 0.4062500 0.4062500 0.0000000), wk = 0.0039216 k( 28) = ( 0.4218750 0.4218750 -0.0000000), wk = 0.0039216 k( 29) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0039216 k( 30) = ( 0.4531250 0.4531250 0.0000000), wk = 0.0039216 k( 31) = ( 0.4687500 0.4687500 -0.0000000), wk = 0.0039216 k( 32) = ( 0.4843750 0.4843750 -0.0000000), wk = 0.0039216 k( 33) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039216 k( 34) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039216 k( 35) = ( 0.5010832 0.5010832 0.0191356), wk = 0.0039216 k( 36) = ( 0.5021664 0.5021664 0.0382711), wk = 0.0039216 k( 37) = ( 0.5032495 0.5032495 0.0574067), wk = 0.0039216 k( 38) = ( 0.5043327 0.5043327 0.0765422), wk = 0.0039216 k( 39) = ( 0.5054159 0.5054159 0.0956778), wk = 0.0039216 k( 40) = ( 0.5064991 0.5064991 0.1148134), wk = 0.0039216 k( 41) = ( 0.5075823 0.5075823 0.1339489), wk = 0.0039216 k( 42) = ( 0.5086654 0.5086654 0.1530845), wk = 0.0039216 k( 43) = ( 0.5097486 0.5097486 0.1722200), wk = 0.0039216 k( 44) = ( 0.5108318 0.5108318 0.1913556), wk = 0.0039216 k( 45) = ( 0.5119150 0.5119150 0.2104912), wk = 0.0039216 k( 46) = ( 0.5129982 0.5129982 0.2296267), wk = 0.0039216 k( 47) = ( 0.5140813 0.5140813 0.2487623), wk = 0.0039216 k( 48) = ( 0.5151645 0.5151645 0.2678978), wk = 0.0039216 k( 49) = ( 0.5162477 0.5162477 0.2870334), wk = 0.0039216 k( 50) = ( 0.5173309 0.5173309 0.3061690), wk = 0.0039216 k( 51) = ( 0.5184141 0.5184141 0.3253045), wk = 0.0039216 k( 52) = ( 0.5194973 0.5194973 0.3444401), wk = 0.0039216 k( 53) = ( 0.5205804 0.5205804 0.3635756), wk = 0.0039216 k( 54) = ( 0.5216636 0.5216636 0.3827112), wk = 0.0039216 k( 55) = ( 0.5227468 0.5227468 0.4018468), wk = 0.0039216 k( 56) = ( 0.5238300 0.5238300 0.4209823), wk = 0.0039216 k( 57) = ( 0.5249132 0.5249132 0.4401179), wk = 0.0039216 k( 58) = ( 0.5259964 0.5259964 0.4592535), wk = 0.0039216 k( 59) = ( 0.5259964 0.5259964 0.4592535), wk = 0.0039216 k( 60) = ( 0.5173309 0.5173309 0.4728356), wk = 0.0039216 k( 61) = ( 0.5086654 0.5086654 0.4864178), wk = 0.0039216 k( 62) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039216 k( 63) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039216 k( 64) = ( 0.5111497 0.4888503 0.5000000), wk = 0.0039216 k( 65) = ( 0.5222994 0.4777006 0.5000000), wk = 0.0039216 k( 66) = ( 0.5334490 0.4665510 0.5000000), wk = 0.0039216 k( 67) = ( 0.5445987 0.4554013 0.5000000), wk = 0.0039216 k( 68) = ( 0.5557484 0.4442516 0.5000000), wk = 0.0039216 k( 69) = ( 0.5668981 0.4331019 0.5000000), wk = 0.0039216 k( 70) = ( 0.5780478 0.4219522 0.5000000), wk = 0.0039216 k( 71) = ( 0.5891975 0.4108025 0.5000000), wk = 0.0039216 k( 72) = ( 0.6003472 0.3996528 0.5000000), wk = 0.0039216 k( 73) = ( 0.6114968 0.3885032 0.5000000), wk = 0.0039216 k( 74) = ( 0.6226465 0.3773535 0.5000000), wk = 0.0039216 k( 75) = ( 0.6337962 0.3662038 0.5000000), wk = 0.0039216 k( 76) = ( 0.3662038 -0.3662038 0.5000000), wk = 0.0039216 k( 77) = ( 0.3551067 -0.3551067 0.5000000), wk = 0.0039216 k( 78) = ( 0.3440096 -0.3440096 0.5000000), wk = 0.0039216 k( 79) = ( 0.3329125 -0.3329125 0.5000000), wk = 0.0039216 k( 80) = ( 0.3218154 -0.3218154 0.5000000), wk = 0.0039216 k( 81) = ( 0.3107184 -0.3107184 0.5000000), wk = 0.0039216 k( 82) = ( 0.2996213 -0.2996213 0.5000000), wk = 0.0039216 k( 83) = ( 0.2885242 -0.2885242 0.5000000), wk = 0.0039216 k( 84) = ( 0.2774271 -0.2774271 0.5000000), wk = 0.0039216 k( 85) = ( 0.2663300 -0.2663300 0.5000000), wk = 0.0039216 k( 86) = ( 0.2552329 -0.2552329 0.5000000), wk = 0.0039216 k( 87) = ( 0.2441358 -0.2441358 0.5000000), wk = 0.0039216 k( 88) = ( 0.2330388 -0.2330388 0.5000000), wk = 0.0039216 k( 89) = ( 0.2219417 -0.2219417 0.5000000), wk = 0.0039216 k( 90) = ( 0.2108446 -0.2108446 0.5000000), wk = 0.0039216 k( 91) = ( 0.1997475 -0.1997475 0.5000000), wk = 0.0039216 k( 92) = ( 0.1886504 -0.1886504 0.5000000), wk = 0.0039216 k( 93) = ( 0.1775533 -0.1775533 0.5000000), wk = 0.0039216 k( 94) = ( 0.1664563 -0.1664563 0.5000000), wk = 0.0039216 k( 95) = ( 0.1553592 -0.1553592 0.5000000), wk = 0.0039216 k( 96) = ( 0.1442621 -0.1442621 0.5000000), wk = 0.0039216 k( 97) = ( 0.1331650 -0.1331650 0.5000000), wk = 0.0039216 k( 98) = ( 0.1220679 -0.1220679 0.5000000), wk = 0.0039216 k( 99) = ( 0.1109708 -0.1109708 0.5000000), wk = 0.0039216 k( 100) = ( 0.0998738 -0.0998738 0.5000000), wk = 0.0039216 k( 101) = ( 0.0887767 -0.0887767 0.5000000), wk = 0.0039216 k( 102) = ( 0.0776796 -0.0776796 0.5000000), wk = 0.0039216 k( 103) = ( 0.0665825 -0.0665825 0.5000000), wk = 0.0039216 k( 104) = ( 0.0554854 -0.0554854 0.5000000), wk = 0.0039216 k( 105) = ( 0.0443883 -0.0443883 0.5000000), wk = 0.0039216 k( 106) = ( 0.0332913 -0.0332913 0.5000000), wk = 0.0039216 k( 107) = ( 0.0221942 -0.0221942 0.5000000), wk = 0.0039216 k( 108) = ( 0.0110971 -0.0110971 0.5000000), wk = 0.0039216 k( 109) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039216 k( 110) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039216 k( 111) = ( 0.0152904 0.0152904 0.5013144), wk = 0.0039216 k( 112) = ( 0.0305809 0.0305809 0.5026288), wk = 0.0039216 k( 113) = ( 0.0458713 0.0458713 0.5039432), wk = 0.0039216 k( 114) = ( 0.0611618 0.0611618 0.5052576), wk = 0.0039216 k( 115) = ( 0.0764522 0.0764522 0.5065720), wk = 0.0039216 k( 116) = ( 0.0917426 0.0917426 0.5078864), wk = 0.0039216 k( 117) = ( 0.1070331 0.1070331 0.5092008), wk = 0.0039216 k( 118) = ( 0.1223235 0.1223235 0.5105152), wk = 0.0039216 k( 119) = ( 0.1376140 0.1376140 0.5118296), wk = 0.0039216 k( 120) = ( 0.1529044 0.1529044 0.5131440), wk = 0.0039216 k( 121) = ( 0.1681948 0.1681948 0.5144585), wk = 0.0039216 k( 122) = ( 0.1834853 0.1834853 0.5157729), wk = 0.0039216 k( 123) = ( 0.1987757 0.1987757 0.5170873), wk = 0.0039216 k( 124) = ( 0.2140662 0.2140662 0.5184017), wk = 0.0039216 k( 125) = ( 0.2293566 0.2293566 0.5197161), wk = 0.0039216 k( 126) = ( 0.2446471 0.2446471 0.5210305), wk = 0.0039216 k( 127) = ( 0.2599375 0.2599375 0.5223449), wk = 0.0039216 k( 128) = ( 0.2752279 0.2752279 0.5236593), wk = 0.0039216 k( 129) = ( 0.2905184 0.2905184 0.5249737), wk = 0.0039216 k( 130) = ( 0.3058088 0.3058088 0.5262881), wk = 0.0039216 k( 131) = ( 0.3210993 0.3210993 0.5276025), wk = 0.0039216 k( 132) = ( 0.3363897 0.3363897 0.5289169), wk = 0.0039216 k( 133) = ( 0.3516801 0.3516801 0.5302313), wk = 0.0039216 k( 134) = ( 0.3669706 0.3669706 0.5315457), wk = 0.0039216 k( 135) = ( 0.3822610 0.3822610 0.5328601), wk = 0.0039216 k( 136) = ( 0.3975514 0.3975514 0.5341745), wk = 0.0039216 k( 137) = ( 0.4128419 0.4128419 0.5354889), wk = 0.0039216 k( 138) = ( 0.4281323 0.4281323 0.5368033), wk = 0.0039216 k( 139) = ( 0.4434228 0.4434228 0.5381177), wk = 0.0039216 k( 140) = ( 0.4587132 0.4587132 0.5394321), wk = 0.0039216 k( 141) = ( 0.4740036 0.4740036 0.5407466), wk = 0.0039216 k( 142) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0039216 k( 143) = ( 0.5108147 0.4891854 -0.0000000), wk = 0.0039216 k( 144) = ( 0.5216293 0.4783707 -0.0000000), wk = 0.0039216 k( 145) = ( 0.5324439 0.4675561 -0.0000000), wk = 0.0039216 k( 146) = ( 0.5432586 0.4567414 -0.0000000), wk = 0.0039216 k( 147) = ( 0.5540732 0.4459268 -0.0000000), wk = 0.0039216 k( 148) = ( 0.5648879 0.4351121 -0.0000000), wk = 0.0039216 k( 149) = ( 0.5757025 0.4242975 -0.0000000), wk = 0.0039216 k( 150) = ( 0.5865172 0.4134828 -0.0000000), wk = 0.0039216 k( 151) = ( 0.5973318 0.4026682 -0.0000000), wk = 0.0039216 k( 152) = ( 0.6081465 0.3918535 -0.0000000), wk = 0.0039216 k( 153) = ( 0.6189611 0.3810389 -0.0000000), wk = 0.0039216 k( 154) = ( 0.3810389 -0.3810389 -0.0000000), wk = 0.0039216 k( 155) = ( 0.3698318 -0.3698318 -0.0000000), wk = 0.0039216 k( 156) = ( 0.3586248 -0.3586248 0.0000000), wk = 0.0039216 k( 157) = ( 0.3474178 -0.3474178 0.0000000), wk = 0.0039216 k( 158) = ( 0.3362108 -0.3362108 0.0000000), wk = 0.0039216 k( 159) = ( 0.3250037 -0.3250037 0.0000000), wk = 0.0039216 k( 160) = ( 0.3137967 -0.3137967 0.0000000), wk = 0.0039216 k( 161) = ( 0.3025897 -0.3025897 0.0000000), wk = 0.0039216 k( 162) = ( 0.2913827 -0.2913827 -0.0000000), wk = 0.0039216 k( 163) = ( 0.2801756 -0.2801756 0.0000000), wk = 0.0039216 k( 164) = ( 0.2689686 -0.2689686 -0.0000000), wk = 0.0039216 k( 165) = ( 0.2577616 -0.2577616 -0.0000000), wk = 0.0039216 k( 166) = ( 0.2465546 -0.2465546 -0.0000000), wk = 0.0039216 k( 167) = ( 0.2353475 -0.2353475 -0.0000000), wk = 0.0039216 k( 168) = ( 0.2241405 -0.2241405 0.0000000), wk = 0.0039216 k( 169) = ( 0.2129335 -0.2129335 -0.0000000), wk = 0.0039216 k( 170) = ( 0.2017265 -0.2017265 -0.0000000), wk = 0.0039216 k( 171) = ( 0.1905194 -0.1905194 -0.0000000), wk = 0.0039216 k( 172) = ( 0.1793124 -0.1793124 0.0000000), wk = 0.0039216 k( 173) = ( 0.1681054 -0.1681054 0.0000000), wk = 0.0039216 k( 174) = ( 0.1568984 -0.1568984 0.0000000), wk = 0.0039216 k( 175) = ( 0.1456913 -0.1456913 -0.0000000), wk = 0.0039216 k( 176) = ( 0.1344843 -0.1344843 0.0000000), wk = 0.0039216 k( 177) = ( 0.1232773 -0.1232773 -0.0000000), wk = 0.0039216 k( 178) = ( 0.1120702 -0.1120702 0.0000000), wk = 0.0039216 k( 179) = ( 0.1008632 -0.1008632 -0.0000000), wk = 0.0039216 k( 180) = ( 0.0896562 -0.0896562 -0.0000000), wk = 0.0039216 k( 181) = ( 0.0784492 -0.0784492 0.0000000), wk = 0.0039216 k( 182) = ( 0.0672422 -0.0672421 -0.0000000), wk = 0.0039216 k( 183) = ( 0.0560351 -0.0560351 -0.0000000), wk = 0.0039216 k( 184) = ( 0.0448281 -0.0448281 -0.0000000), wk = 0.0039216 k( 185) = ( 0.0336211 -0.0336211 0.0000000), wk = 0.0039216 k( 186) = ( 0.0224141 -0.0224140 -0.0000000), wk = 0.0039216 k( 187) = ( 0.0112070 -0.0112070 -0.0000000), wk = 0.0039216 k( 188) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039216 k( 189) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039216 k( 190) = ( 0.0178571 0.0000000 -0.0000000), wk = 0.0039216 k( 191) = ( 0.0357143 0.0000000 0.0000000), wk = 0.0039216 k( 192) = ( 0.0535714 0.0000000 -0.0000000), wk = 0.0039216 k( 193) = ( 0.0714286 0.0000000 -0.0000000), wk = 0.0039216 k( 194) = ( 0.0892857 0.0000000 -0.0000000), wk = 0.0039216 k( 195) = ( 0.1071429 0.0000000 -0.0000000), wk = 0.0039216 k( 196) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0039216 k( 197) = ( 0.1428571 0.0000000 -0.0000000), wk = 0.0039216 k( 198) = ( 0.1607143 0.0000000 -0.0000000), wk = 0.0039216 k( 199) = ( 0.1785714 0.0000000 -0.0000000), wk = 0.0039216 k( 200) = ( 0.1964286 0.0000000 0.0000000), wk = 0.0039216 k( 201) = ( 0.2142857 0.0000000 -0.0000000), wk = 0.0039216 k( 202) = ( 0.2321429 0.0000000 -0.0000000), wk = 0.0039216 k( 203) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0039216 k( 204) = ( 0.2678571 0.0000000 -0.0000000), wk = 0.0039216 k( 205) = ( 0.2857143 0.0000000 -0.0000000), wk = 0.0039216 k( 206) = ( 0.3035714 0.0000000 0.0000000), wk = 0.0039216 k( 207) = ( 0.3214286 0.0000000 -0.0000000), wk = 0.0039216 k( 208) = ( 0.3392857 0.0000000 -0.0000000), wk = 0.0039216 k( 209) = ( 0.3571429 0.0000000 -0.0000000), wk = 0.0039216 k( 210) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0039216 k( 211) = ( 0.3928571 0.0000000 0.0000000), wk = 0.0039216 k( 212) = ( 0.4107143 0.0000000 -0.0000000), wk = 0.0039216 k( 213) = ( 0.4285714 0.0000000 -0.0000000), wk = 0.0039216 k( 214) = ( 0.4464286 0.0000000 -0.0000000), wk = 0.0039216 k( 215) = ( 0.4642857 0.0000000 -0.0000000), wk = 0.0039216 k( 216) = ( 0.4821429 0.0000000 -0.0000000), wk = 0.0039216 k( 217) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0039216 k( 218) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0039216 k( 219) = ( 0.4864865 0.0000000 0.4864865), wk = 0.0039216 k( 220) = ( 0.4729730 0.0000000 0.4729730), wk = 0.0039216 k( 221) = ( 0.4594595 0.0000000 0.4594595), wk = 0.0039216 k( 222) = ( 0.4459459 0.0000000 0.4459459), wk = 0.0039216 k( 223) = ( 0.4324324 0.0000000 0.4324324), wk = 0.0039216 k( 224) = ( 0.4189189 0.0000000 0.4189189), wk = 0.0039216 k( 225) = ( 0.4054054 0.0000000 0.4054054), wk = 0.0039216 k( 226) = ( 0.3918919 0.0000000 0.3918919), wk = 0.0039216 k( 227) = ( 0.3783784 0.0000000 0.3783784), wk = 0.0039216 k( 228) = ( 0.3648649 0.0000000 0.3648649), wk = 0.0039216 k( 229) = ( 0.3513514 0.0000000 0.3513514), wk = 0.0039216 k( 230) = ( 0.3378378 0.0000000 0.3378378), wk = 0.0039216 k( 231) = ( 0.3243243 0.0000000 0.3243243), wk = 0.0039216 k( 232) = ( 0.3108108 0.0000000 0.3108108), wk = 0.0039216 k( 233) = ( 0.2972973 0.0000000 0.2972973), wk = 0.0039216 k( 234) = ( 0.2837838 0.0000000 0.2837838), wk = 0.0039216 k( 235) = ( 0.2702703 0.0000000 0.2702703), wk = 0.0039216 k( 236) = ( 0.2567568 0.0000000 0.2567568), wk = 0.0039216 k( 237) = ( 0.2432432 0.0000000 0.2432432), wk = 0.0039216 k( 238) = ( 0.2297297 0.0000000 0.2297297), wk = 0.0039216 k( 239) = ( 0.2162162 0.0000000 0.2162162), wk = 0.0039216 k( 240) = ( 0.2027027 0.0000000 0.2027027), wk = 0.0039216 k( 241) = ( 0.1891892 0.0000000 0.1891892), wk = 0.0039216 k( 242) = ( 0.1756757 0.0000000 0.1756757), wk = 0.0039216 k( 243) = ( 0.1621622 0.0000000 0.1621622), wk = 0.0039216 k( 244) = ( 0.1486486 0.0000000 0.1486486), wk = 0.0039216 k( 245) = ( 0.1351351 0.0000000 0.1351351), wk = 0.0039216 k( 246) = ( 0.1216216 0.0000000 0.1216216), wk = 0.0039216 k( 247) = ( 0.1081081 0.0000000 0.1081081), wk = 0.0039216 k( 248) = ( 0.0945946 0.0000000 0.0945946), wk = 0.0039216 k( 249) = ( 0.0810811 0.0000000 0.0810811), wk = 0.0039216 k( 250) = ( 0.0675676 0.0000000 0.0675676), wk = 0.0039216 k( 251) = ( 0.0540540 0.0000000 0.0540540), wk = 0.0039216 k( 252) = ( 0.0405405 0.0000000 0.0405405), wk = 0.0039216 k( 253) = ( 0.0270270 0.0000000 0.0270270), wk = 0.0039216 k( 254) = ( 0.0135135 0.0000000 0.0135135), wk = 0.0039216 k( 255) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039216 Dense grid: 186137 G-vectors FFT dimensions: ( 75, 75, 75) Smooth grid: 88949 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.38 Mb ( 344, 72) NL pseudopotentials 0.44 Mb ( 172, 166) Each V/rho on FFT grid 0.17 Mb ( 11250) Each G-vector array 0.02 Mb ( 2585) G-vector shells 0.02 Mb ( 2585) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.51 Mb ( 344, 288) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.36 Mb ( 166, 2, 72) Check: negative/imaginary core charge= -0.000006 0.000000 The potential is recalculated from file : ./MgxClO3x2.save/charge-density.dat Starting wfc are 74 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.7 secs Computing kpt #: 2 total cpu time spent up to now is 5.0 secs Computing kpt #: 3 total cpu time spent up to now is 6.3 secs Computing kpt #: 4 total cpu time spent up to now is 7.6 secs Computing kpt #: 5 total cpu time spent up to now is 8.9 secs Computing kpt #: 6 total cpu time spent up to now is 10.0 secs Computing kpt #: 7 total cpu time spent up to now is 11.3 secs Computing kpt #: 8 total cpu time spent up to now is 12.6 secs Computing kpt #: 9 total cpu time spent up to now is 13.8 secs Computing kpt #: 10 total cpu time spent up to now is 15.1 secs Computing kpt #: 11 total cpu time spent up to now is 16.5 secs Computing kpt #: 12 total cpu time spent up to now is 17.8 secs Computing kpt #: 13 total cpu time spent up to now is 19.1 secs Computing kpt #: 14 total cpu time spent up to now is 20.4 secs Computing kpt #: 15 total cpu time spent up to now is 21.6 secs Computing kpt #: 16 total cpu time spent up to now is 22.9 secs Computing kpt #: 17 total cpu time spent up to now is 24.2 secs Computing kpt #: 18 total cpu time spent up to now is 25.4 secs Computing kpt #: 19 total cpu time spent up to now is 26.8 secs Computing kpt #: 20 total cpu time spent up to now is 28.1 secs Computing kpt #: 21 total cpu time spent up to now is 29.4 secs Computing kpt #: 22 total cpu time spent up to now is 30.7 secs Computing kpt #: 23 total cpu time spent up to now is 32.0 secs Computing kpt #: 24 total cpu time spent up to now is 33.2 secs Computing kpt #: 25 total cpu time spent up to now is 34.6 secs Computing kpt #: 26 total cpu time spent up to now is 35.8 secs Computing kpt #: 27 total cpu time spent up to now is 37.1 secs Computing kpt #: 28 total cpu time spent up to now is 38.4 secs Computing kpt #: 29 total cpu time spent up to now is 39.6 secs Computing kpt #: 30 total cpu time spent up to now is 40.9 secs Computing kpt #: 31 total cpu time spent up to now is 42.2 secs Computing kpt #: 32 total cpu time spent up to now is 43.4 secs Computing kpt #: 33 total cpu time spent up to now is 44.6 secs Computing kpt #: 34 total cpu time spent up to now is 45.9 secs Computing kpt #: 35 total cpu time spent up to now is 47.2 secs Computing kpt #: 36 total cpu time spent up to now is 48.4 secs Computing kpt #: 37 total cpu time spent up to now is 49.6 secs Computing kpt #: 38 total cpu time spent up to now is 50.8 secs Computing kpt #: 39 total cpu time spent up to now is 52.1 secs Computing kpt #: 40 total cpu time spent up to now is 53.3 secs Computing kpt #: 41 total cpu time spent up to now is 54.6 secs Computing kpt #: 42 total cpu time spent up to now is 55.8 secs Computing kpt #: 43 total cpu time spent up to now is 57.1 secs Computing kpt #: 44 total cpu time spent up to now is 58.4 secs Computing kpt #: 45 total cpu time spent up to now is 59.6 secs Computing kpt #: 46 total cpu time spent up to now is 60.8 secs Computing kpt #: 47 total cpu time spent up to now is 62.1 secs Computing kpt #: 48 total cpu time spent up to now is 63.3 secs Computing kpt #: 49 total cpu time spent up to now is 64.6 secs Computing kpt #: 50 total cpu time spent up to now is 65.9 secs Computing kpt #: 51 total cpu time spent up to now is 67.1 secs Computing kpt #: 52 total cpu time spent up to now is 68.4 secs Computing kpt #: 53 total cpu time spent up to now is 69.6 secs Computing kpt #: 54 total cpu time spent up to now is 70.8 secs Computing kpt #: 55 total cpu time spent up to now is 72.2 secs Computing kpt #: 56 total cpu time spent up to now is 73.4 secs Computing kpt #: 57 total cpu time spent up to now is 74.8 secs Computing kpt #: 58 total cpu time spent up to now is 76.1 secs Computing kpt #: 59 total cpu time spent up to now is 77.4 secs Computing kpt #: 60 total cpu time spent up to now is 78.7 secs Computing kpt #: 61 total cpu time spent up to now is 79.9 secs Computing kpt #: 62 total cpu time spent up to now is 81.0 secs Computing kpt #: 63 total cpu time spent up to now is 82.3 secs Computing kpt #: 64 total cpu time spent up to now is 83.6 secs Computing kpt #: 65 total cpu time spent up to now is 84.8 secs Computing kpt #: 66 total cpu time spent up to now is 86.0 secs Computing kpt #: 67 total cpu time spent up to now is 87.3 secs Computing kpt #: 68 total cpu time spent up to now is 88.6 secs Computing kpt #: 69 total cpu time spent up to now is 89.7 secs Computing kpt #: 70 total cpu time spent up to now is 90.9 secs Computing kpt #: 71 total cpu time spent up to now is 92.1 secs Computing kpt #: 72 total cpu time spent up to now is 93.3 secs Computing kpt #: 73 total cpu time spent up to now is 94.5 secs Computing kpt #: 74 total cpu time spent up to now is 95.7 secs Computing kpt #: 75 total cpu time spent up to now is 97.0 secs Computing kpt #: 76 total cpu time spent up to now is 98.1 secs Computing kpt #: 77 total cpu time spent up to now is 99.4 secs Computing kpt #: 78 total cpu time spent up to now is 100.5 secs Computing kpt #: 79 total cpu time spent up to now is 101.8 secs Computing kpt #: 80 total cpu time spent up to now is 103.0 secs Computing kpt #: 81 total cpu time spent up to now is 104.3 secs Computing kpt #: 82 total cpu time spent up to now is 105.5 secs Computing kpt #: 83 total cpu time spent up to now is 106.7 secs Computing kpt #: 84 total cpu time spent up to now is 107.9 secs Computing kpt #: 85 total cpu time spent up to now is 109.2 secs Computing kpt #: 86 total cpu time spent up to now is 110.5 secs Computing kpt #: 87 total cpu time spent up to now is 111.8 secs Computing kpt #: 88 total cpu time spent up to now is 113.1 secs Computing kpt #: 89 total cpu time spent up to now is 114.3 secs Computing kpt #: 90 total cpu time spent up to now is 115.6 secs Computing kpt #: 91 total cpu time spent up to now is 117.0 secs Computing kpt #: 92 total cpu time spent up to now is 118.3 secs Computing kpt #: 93 total cpu time spent up to now is 119.6 secs Computing kpt #: 94 total cpu time spent up to now is 120.7 secs Computing kpt #: 95 total cpu time spent up to now is 121.9 secs Computing kpt #: 96 total cpu time spent up to now is 123.2 secs Computing kpt #: 97 total cpu time spent up to now is 124.5 secs Computing kpt #: 98 total cpu time spent up to now is 125.7 secs Computing kpt #: 99 total cpu time spent up to now is 127.0 secs Computing kpt #: 100 total cpu time spent up to now is 128.2 secs Computing kpt #: 101 total cpu time spent up to now is 129.5 secs Computing kpt #: 102 total cpu time spent up to now is 130.5 secs Computing kpt #: 103 total cpu time spent up to now is 131.9 secs Computing kpt #: 104 total cpu time spent up to now is 133.1 secs Computing kpt #: 105 total cpu time spent up to now is 134.6 secs Computing kpt #: 106 total cpu time spent up to now is 136.0 secs Computing kpt #: 107 total cpu time spent up to now is 137.3 secs Computing kpt #: 108 total cpu time spent up to now is 138.6 secs Computing kpt #: 109 total cpu time spent up to now is 139.8 secs Computing kpt #: 110 total cpu time spent up to now is 141.1 secs Computing kpt #: 111 total cpu time spent up to now is 142.4 secs Computing kpt #: 112 total cpu time spent up to now is 143.6 secs Computing kpt #: 113 total cpu time spent up to now is 145.0 secs Computing kpt #: 114 total cpu time spent up to now is 146.2 secs Computing kpt #: 115 total cpu time spent up to now is 147.5 secs Computing kpt #: 116 total cpu time spent up to now is 148.8 secs Computing kpt #: 117 total cpu time spent up to now is 150.1 secs Computing kpt #: 118 total cpu time spent up to now is 151.3 secs Computing kpt #: 119 total cpu time spent up to now is 152.6 secs Computing kpt #: 120 total cpu time spent up to now is 154.0 secs Computing kpt #: 121 total cpu time spent up to now is 155.3 secs Computing kpt #: 122 total cpu time spent up to now is 156.8 secs Computing kpt #: 123 total cpu time spent up to now is 158.2 secs Computing kpt #: 124 total cpu time spent up to now is 159.5 secs Computing kpt #: 125 total cpu time spent up to now is 160.8 secs Computing kpt #: 126 total cpu time spent up to now is 162.0 secs Computing kpt #: 127 total cpu time spent up to now is 163.4 secs Computing kpt #: 128 total cpu time spent up to now is 164.7 secs Computing kpt #: 129 total cpu time spent up to now is 166.1 secs Computing kpt #: 130 total cpu time spent up to now is 167.4 secs Computing kpt #: 131 total cpu time spent up to now is 168.7 secs Computing kpt #: 132 total cpu time spent up to now is 170.0 secs Computing kpt #: 133 total cpu time spent up to now is 171.2 secs Computing kpt #: 134 total cpu time spent up to now is 172.6 secs Computing kpt #: 135 total cpu time spent up to now is 173.8 secs Computing kpt #: 136 total cpu time spent up to now is 175.0 secs Computing kpt #: 137 total cpu time spent up to now is 176.3 secs Computing kpt #: 138 total cpu time spent up to now is 177.6 secs Computing kpt #: 139 total cpu time spent up to now is 179.4 secs Computing kpt #: 140 total cpu time spent up to now is 180.5 secs Computing kpt #: 141 total cpu time spent up to now is 181.8 secs Computing kpt #: 142 total cpu time spent up to now is 183.1 secs Computing kpt #: 143 total cpu time spent up to now is 184.4 secs Computing kpt #: 144 total cpu time spent up to now is 185.6 secs Computing kpt #: 145 total cpu time spent up to now is 186.9 secs Computing kpt #: 146 total cpu time spent up to now is 188.1 secs Computing kpt #: 147 total cpu time spent up to now is 189.3 secs Computing kpt #: 148 total cpu time spent up to now is 190.6 secs Computing kpt #: 149 total cpu time spent up to now is 191.9 secs Computing kpt #: 150 total cpu time spent up to now is 193.1 secs Computing kpt #: 151 total cpu time spent up to now is 194.3 secs Computing kpt #: 152 total cpu time spent up to now is 195.6 secs Computing kpt #: 153 total cpu time spent up to now is 197.0 secs Computing kpt #: 154 total cpu time spent up to now is 198.3 secs Computing kpt #: 155 total cpu time spent up to now is 199.7 secs Computing kpt #: 156 total cpu time spent up to now is 200.9 secs Computing kpt #: 157 total cpu time spent up to now is 202.3 secs Computing kpt #: 158 total cpu time spent up to now is 203.5 secs Computing kpt #: 159 total cpu time spent up to now is 204.8 secs Computing kpt #: 160 total cpu time spent up to now is 206.0 secs Computing kpt #: 161 total cpu time spent up to now is 207.3 secs Computing kpt #: 162 total cpu time spent up to now is 208.6 secs Computing kpt #: 163 total cpu time spent up to now is 209.9 secs Computing kpt #: 164 total cpu time spent up to now is 211.1 secs Computing kpt #: 165 total cpu time spent up to now is 212.4 secs Computing kpt #: 166 total cpu time spent up to now is 213.7 secs Computing kpt #: 167 total cpu time spent up to now is 215.0 secs Computing kpt #: 168 total cpu time spent up to now is 216.3 secs Computing kpt #: 169 total cpu time spent up to now is 217.6 secs Computing kpt #: 170 total cpu time spent up to now is 218.8 secs Computing kpt #: 171 total cpu time spent up to now is 220.1 secs Computing kpt #: 172 total cpu time spent up to now is 221.2 secs Computing kpt #: 173 total cpu time spent up to now is 222.5 secs Computing kpt #: 174 total cpu time spent up to now is 223.7 secs Computing kpt #: 175 total cpu time spent up to now is 224.9 secs Computing kpt #: 176 total cpu time spent up to now is 226.2 secs Computing kpt #: 177 total cpu time spent up to now is 227.5 secs Computing kpt #: 178 total cpu time spent up to now is 228.8 secs Computing kpt #: 179 total cpu time spent up to now is 230.0 secs Computing kpt #: 180 total cpu time spent up to now is 231.3 secs Computing kpt #: 181 total cpu time spent up to now is 232.4 secs Computing kpt #: 182 total cpu time spent up to now is 233.6 secs Computing kpt #: 183 total cpu time spent up to now is 234.8 secs Computing kpt #: 184 total cpu time spent up to now is 236.1 secs Computing kpt #: 185 total cpu time spent up to now is 237.3 secs Computing kpt #: 186 total cpu time spent up to now is 238.5 secs Computing kpt #: 187 total cpu time spent up to now is 239.7 secs Computing kpt #: 188 total cpu time spent up to now is 241.0 secs Computing kpt #: 189 total cpu time spent up to now is 242.0 secs Computing kpt #: 190 total cpu time spent up to now is 243.3 secs Computing kpt #: 191 total cpu time spent up to now is 244.5 secs Computing kpt #: 192 total cpu time spent up to now is 245.7 secs Computing kpt #: 193 total cpu time spent up to now is 246.9 secs Computing kpt #: 194 total cpu time spent up to now is 248.1 secs Computing kpt #: 195 total cpu time spent up to now is 249.6 secs Computing kpt #: 196 total cpu time spent up to now is 250.8 secs Computing kpt #: 197 total cpu time spent up to now is 252.1 secs Computing kpt #: 198 total cpu time spent up to now is 253.4 secs Computing kpt #: 199 total cpu time spent up to now is 254.6 secs Computing kpt #: 200 total cpu time spent up to now is 255.8 secs Computing kpt #: 201 total cpu time spent up to now is 257.1 secs Computing kpt #: 202 total cpu time spent up to now is 258.2 secs Computing kpt #: 203 total cpu time spent up to now is 259.3 secs Computing kpt #: 204 total cpu time spent up to now is 260.5 secs Computing kpt #: 205 total cpu time spent up to now is 261.7 secs Computing kpt #: 206 total cpu time spent up to now is 263.1 secs Computing kpt #: 207 total cpu time spent up to now is 264.4 secs Computing kpt #: 208 total cpu time spent up to now is 265.7 secs Computing kpt #: 209 total cpu time spent up to now is 267.0 secs Computing kpt #: 210 total cpu time spent up to now is 268.3 secs Computing kpt #: 211 total cpu time spent up to now is 269.6 secs Computing kpt #: 212 total cpu time spent up to now is 270.9 secs Computing kpt #: 213 total cpu time spent up to now is 272.1 secs Computing kpt #: 214 total cpu time spent up to now is 273.4 secs Computing kpt #: 215 total cpu time spent up to now is 274.5 secs Computing kpt #: 216 total cpu time spent up to now is 275.8 secs Computing kpt #: 217 total cpu time spent up to now is 277.0 secs Computing kpt #: 218 total cpu time spent up to now is 278.3 secs Computing kpt #: 219 total cpu time spent up to now is 279.4 secs Computing kpt #: 220 total cpu time spent up to now is 280.6 secs Computing kpt #: 221 total cpu time spent up to now is 281.8 secs Computing kpt #: 222 total cpu time spent up to now is 283.1 secs Computing kpt #: 223 total cpu time spent up to now is 284.5 secs Computing kpt #: 224 total cpu time spent up to now is 285.6 secs Computing kpt #: 225 total cpu time spent up to now is 286.8 secs Computing kpt #: 226 total cpu time spent up to now is 288.1 secs Computing kpt #: 227 total cpu time spent up to now is 289.3 secs Computing kpt #: 228 total cpu time spent up to now is 290.6 secs Computing kpt #: 229 total cpu time spent up to now is 291.9 secs Computing kpt #: 230 total cpu time spent up to now is 293.2 secs Computing kpt #: 231 total cpu time spent up to now is 294.5 secs Computing kpt #: 232 total cpu time spent up to now is 295.7 secs Computing kpt #: 233 total cpu time spent up to now is 296.9 secs Computing kpt #: 234 total cpu time spent up to now is 298.2 secs Computing kpt #: 235 total cpu time spent up to now is 299.4 secs Computing kpt #: 236 total cpu time spent up to now is 300.8 secs Computing kpt #: 237 total cpu time spent up to now is 302.1 secs Computing kpt #: 238 total cpu time spent up to now is 303.4 secs Computing kpt #: 239 total cpu time spent up to now is 304.7 secs Computing kpt #: 240 total cpu time spent up to now is 305.9 secs Computing kpt #: 241 total cpu time spent up to now is 307.2 secs Computing kpt #: 242 total cpu time spent up to now is 308.5 secs Computing kpt #: 243 total cpu time spent up to now is 309.6 secs Computing kpt #: 244 total cpu time spent up to now is 310.8 secs Computing kpt #: 245 total cpu time spent up to now is 312.1 secs Computing kpt #: 246 total cpu time spent up to now is 313.3 secs Computing kpt #: 247 total cpu time spent up to now is 314.6 secs Computing kpt #: 248 total cpu time spent up to now is 315.8 secs Computing kpt #: 249 total cpu time spent up to now is 317.1 secs Computing kpt #: 250 total cpu time spent up to now is 318.4 secs Computing kpt #: 251 total cpu time spent up to now is 319.8 secs Computing kpt #: 252 total cpu time spent up to now is 321.0 secs Computing kpt #: 253 total cpu time spent up to now is 322.2 secs Computing kpt #: 254 total cpu time spent up to now is 323.3 secs Computing kpt #: 255 total cpu time spent up to now is 324.6 secs ethr = 1.67E-08, avg # of iterations = 13.4 total cpu time spent up to now is 324.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 11097 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8211 -40.8211 -40.8166 -40.8166 -18.8337 -18.8337 -18.3600 -18.3600 -18.3572 -18.3572 -18.3229 -18.3229 -18.1804 -18.1804 -18.1720 -18.1720 -15.7638 -15.7638 -15.6806 -15.6806 -5.0979 -5.0979 -4.5072 -4.5072 -4.4725 -4.4725 -4.3989 -4.3989 -4.2795 -4.2795 -4.2540 -4.2540 -4.2061 -4.2061 -4.0198 -4.0198 -3.7870 -3.7870 -3.6399 -3.6399 -3.4279 -3.4279 -3.4159 -3.4159 -3.2386 -3.2386 -3.2355 -3.2355 -3.1564 -3.1564 -3.0157 -3.0157 -2.8967 -2.8967 -2.8798 -2.8798 -2.7212 -2.7212 -2.6796 -2.6796 -2.6476 -2.6476 -2.6157 -2.6157 -2.6103 -2.6103 -2.5833 -2.5833 k = 0.0156 0.0113-0.0013 ( 11095 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8211 -40.8211 -40.8166 -40.8166 -18.8336 -18.8336 -18.3600 -18.3600 -18.3572 -18.3572 -18.3230 -18.3230 -18.1804 -18.1804 -18.1721 -18.1721 -15.7638 -15.7638 -15.6807 -15.6807 -5.0976 -5.0976 -4.5065 -4.5065 -4.4725 -4.4725 -4.3988 -4.3988 -4.2818 -4.2818 -4.2509 -4.2509 -4.2062 -4.2062 -4.0191 -4.0191 -3.7867 -3.7867 -3.6419 -3.6419 -3.4280 -3.4280 -3.4146 -3.4146 -3.2385 -3.2385 -3.2338 -3.2338 -3.1563 -3.1563 -3.0165 -3.0165 -2.8976 -2.8976 -2.8801 -2.8801 -2.7218 -2.7218 -2.6797 -2.6797 -2.6482 -2.6482 -2.6158 -2.6158 -2.6117 -2.6117 -2.5833 -2.5833 k = 0.0312 0.0226-0.0027 ( 11111 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8332 -18.8332 -18.3599 -18.3599 -18.3572 -18.3572 -18.3233 -18.3233 -18.1804 -18.1804 -18.1723 -18.1723 -15.7638 -15.7638 -15.6809 -15.6809 -5.0969 -5.0969 -4.5044 -4.5044 -4.4726 -4.4726 -4.3986 -4.3986 -4.2866 -4.2866 -4.2437 -4.2437 -4.2066 -4.2066 -4.0167 -4.0167 -3.7857 -3.7857 -3.6478 -3.6478 -3.4279 -3.4279 -3.4110 -3.4110 -3.2378 -3.2378 -3.2293 -3.2293 -3.1562 -3.1562 -3.0188 -3.0188 -2.9002 -2.9002 -2.8808 -2.8808 -2.7235 -2.7235 -2.6799 -2.6799 -2.6499 -2.6499 -2.6164 -2.6164 -2.6154 -2.6154 -2.5835 -2.5835 k = 0.0469 0.0339-0.0040 ( 11119 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8326 -18.8326 -18.3596 -18.3596 -18.3573 -18.3573 -18.3238 -18.3238 -18.1804 -18.1804 -18.1727 -18.1727 -15.7636 -15.7636 -15.6813 -15.6813 -5.0958 -5.0958 -4.5010 -4.5010 -4.4728 -4.4728 -4.3981 -4.3981 -4.2921 -4.2921 -4.2345 -4.2345 -4.2071 -4.2071 -4.0128 -4.0128 -3.7841 -3.7841 -3.6570 -3.6570 -3.4272 -3.4272 -3.4059 -3.4059 -3.2361 -3.2361 -3.2224 -3.2224 -3.1561 -3.1561 -3.0225 -3.0225 -2.9045 -2.9045 -2.8820 -2.8820 -2.7264 -2.7264 -2.6804 -2.6804 -2.6529 -2.6529 -2.6214 -2.6214 -2.6167 -2.6167 -2.5842 -2.5842 k = 0.0625 0.0451-0.0054 ( 11121 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8317 -18.8317 -18.3593 -18.3593 -18.3573 -18.3573 -18.3244 -18.3244 -18.1804 -18.1804 -18.1733 -18.1733 -15.7635 -15.7635 -15.6819 -15.6819 -5.0941 -5.0941 -4.4963 -4.4963 -4.4732 -4.4732 -4.3972 -4.3972 -4.2972 -4.2972 -4.2246 -4.2246 -4.2075 -4.2075 -4.0072 -4.0072 -3.7819 -3.7819 -3.6688 -3.6688 -3.4259 -3.4259 -3.3999 -3.3999 -3.2337 -3.2337 -3.2133 -3.2133 -3.1558 -3.1558 -3.0276 -3.0276 -2.9106 -2.9106 -2.8836 -2.8836 -2.7303 -2.7303 -2.6811 -2.6811 -2.6576 -2.6576 -2.6283 -2.6283 -2.6177 -2.6177 -2.5857 -2.5857 k = 0.0781 0.0564-0.0067 ( 11119 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8306 -18.8306 -18.3589 -18.3589 -18.3574 -18.3574 -18.3251 -18.3251 -18.1804 -18.1804 -18.1740 -18.1740 -15.7633 -15.7633 -15.6825 -15.6825 -5.0920 -5.0920 -4.4904 -4.4904 -4.4736 -4.4736 -4.3957 -4.3957 -4.3020 -4.3020 -4.2160 -4.2160 -4.2063 -4.2063 -3.9998 -3.9998 -3.7791 -3.7791 -3.6826 -3.6826 -3.4239 -3.4239 -3.3934 -3.3934 -3.2306 -3.2306 -3.2024 -3.2024 -3.1554 -3.1554 -3.0341 -3.0341 -2.9184 -2.9184 -2.8855 -2.8855 -2.7354 -2.7354 -2.6822 -2.6822 -2.6644 -2.6644 -2.6354 -2.6354 -2.6189 -2.6189 -2.5881 -2.5881 k = 0.0938 0.0677-0.0081 ( 11123 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8293 -18.8293 -18.3585 -18.3585 -18.3574 -18.3574 -18.3261 -18.3261 -18.1804 -18.1804 -18.1748 -18.1748 -15.7630 -15.7630 -15.6833 -15.6833 -5.0894 -5.0894 -4.4838 -4.4838 -4.4736 -4.4736 -4.3934 -4.3934 -4.3066 -4.3066 -4.2136 -4.2136 -4.1987 -4.1987 -3.9906 -3.9906 -3.7758 -3.7758 -3.6976 -3.6976 -3.4213 -3.4213 -3.3865 -3.3865 -3.2269 -3.2269 -3.1901 -3.1901 -3.1548 -3.1548 -3.0418 -3.0418 -2.9277 -2.9277 -2.8878 -2.8878 -2.7416 -2.7416 -2.6840 -2.6840 -2.6735 -2.6735 -2.6423 -2.6423 -2.6204 -2.6204 -2.5914 -2.5914 k = 0.1094 0.0790-0.0094 ( 11116 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8277 -18.8277 -18.3582 -18.3582 -18.3574 -18.3574 -18.3271 -18.3271 -18.1804 -18.1804 -18.1758 -18.1758 -15.7627 -15.7627 -15.6843 -15.6843 -5.0864 -5.0864 -4.4794 -4.4794 -4.4703 -4.4703 -4.3902 -4.3902 -4.3108 -4.3108 -4.2145 -4.2145 -4.1879 -4.1879 -3.9795 -3.9795 -3.7720 -3.7720 -3.7130 -3.7130 -3.4182 -3.4182 -3.3795 -3.3795 -3.2227 -3.2227 -3.1772 -3.1772 -3.1536 -3.1536 -3.0507 -3.0507 -2.9384 -2.9384 -2.8906 -2.8906 -2.7489 -2.7489 -2.6881 -2.6881 -2.6830 -2.6830 -2.6487 -2.6487 -2.6223 -2.6223 -2.5957 -2.5957 k = 0.1250 0.0903-0.0108 ( 11116 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8259 -18.8259 -18.3580 -18.3580 -18.3572 -18.3572 -18.3282 -18.3282 -18.1805 -18.1805 -18.1769 -18.1769 -15.7623 -15.7623 -15.6854 -15.6854 -5.0830 -5.0830 -4.4795 -4.4795 -4.4617 -4.4617 -4.3860 -4.3860 -4.3151 -4.3151 -4.2160 -4.2160 -4.1764 -4.1764 -3.9665 -3.9665 -3.7682 -3.7682 -3.7280 -3.7280 -3.4149 -3.4149 -3.3725 -3.3725 -3.2182 -3.2182 -3.1652 -3.1652 -3.1507 -3.1507 -3.0605 -3.0605 -2.9503 -2.9503 -2.8937 -2.8937 -2.7575 -2.7575 -2.7000 -2.7000 -2.6874 -2.6874 -2.6549 -2.6549 -2.6245 -2.6245 -2.6008 -2.6008 k = 0.1406 0.1016-0.0121 ( 11113 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8211 -40.8211 -40.8166 -40.8166 -18.8239 -18.8239 -18.3580 -18.3580 -18.3568 -18.3568 -18.3293 -18.3293 -18.1805 -18.1805 -18.1781 -18.1781 -15.7619 -15.7619 -15.6866 -15.6866 -5.0791 -5.0791 -4.4811 -4.4811 -4.4507 -4.4507 -4.3807 -4.3807 -4.3193 -4.3193 -4.2179 -4.2179 -4.1649 -4.1649 -3.9518 -3.9518 -3.7652 -3.7652 -3.7411 -3.7411 -3.4112 -3.4112 -3.3656 -3.3656 -3.2136 -3.2136 -3.1581 -3.1581 -3.1428 -3.1428 -3.0711 -3.0711 -2.9631 -2.9631 -2.8973 -2.8973 -2.7677 -2.7677 -2.7143 -2.7143 -2.6909 -2.6909 -2.6611 -2.6611 -2.6272 -2.6272 -2.6066 -2.6066 k = 0.1562 0.1128-0.0135 ( 11114 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8218 -18.8218 -18.3581 -18.3581 -18.3565 -18.3565 -18.3304 -18.3304 -18.1805 -18.1805 -18.1795 -18.1795 -15.7615 -15.7615 -15.6879 -15.6879 -5.0748 -5.0748 -4.4832 -4.4832 -4.4384 -4.4384 -4.3744 -4.3744 -4.3236 -4.3236 -4.2199 -4.2199 -4.1535 -4.1535 -3.9355 -3.9355 -3.7675 -3.7675 -3.7475 -3.7475 -3.4075 -3.4075 -3.3589 -3.3589 -3.2090 -3.2090 -3.1551 -3.1551 -3.1313 -3.1313 -3.0817 -3.0817 -2.9767 -2.9767 -2.9013 -2.9013 -2.7797 -2.7797 -2.7290 -2.7290 -2.6949 -2.6949 -2.6676 -2.6676 -2.6303 -2.6303 -2.6129 -2.6129 k = 0.1719 0.1241-0.0148 ( 11123 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8195 -18.8195 -18.3582 -18.3582 -18.3563 -18.3563 -18.3313 -18.3313 -18.1810 -18.1810 -18.1805 -18.1805 -15.7610 -15.7610 -15.6893 -15.6893 -5.0702 -5.0702 -4.4856 -4.4856 -4.4249 -4.4249 -4.3673 -4.3673 -4.3278 -4.3278 -4.2220 -4.2220 -4.1423 -4.1423 -3.9179 -3.9179 -3.7764 -3.7764 -3.7453 -3.7453 -3.4036 -3.4036 -3.3526 -3.3526 -3.2046 -3.2046 -3.1531 -3.1531 -3.1219 -3.1219 -3.0901 -3.0901 -2.9908 -2.9908 -2.9058 -2.9058 -2.7938 -2.7938 -2.7434 -2.7434 -2.6997 -2.6997 -2.6745 -2.6745 -2.6340 -2.6340 -2.6194 -2.6194 k = 0.1875 0.1354-0.0162 ( 11134 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8170 -18.8170 -18.3584 -18.3584 -18.3564 -18.3564 -18.3321 -18.3321 -18.1825 -18.1825 -18.1805 -18.1805 -15.7604 -15.7604 -15.6909 -15.6909 -5.0651 -5.0651 -4.4883 -4.4883 -4.4104 -4.4104 -4.3601 -4.3601 -4.3312 -4.3312 -4.2239 -4.2239 -4.1317 -4.1317 -3.8992 -3.8992 -3.7858 -3.7858 -3.7401 -3.7401 -3.3999 -3.3999 -3.3469 -3.3469 -3.2008 -3.2008 -3.1510 -3.1510 -3.1218 -3.1218 -3.0901 -3.0901 -3.0050 -3.0050 -2.9107 -2.9107 -2.8099 -2.8099 -2.7569 -2.7569 -2.7052 -2.7052 -2.6818 -2.6818 -2.6385 -2.6385 -2.6257 -2.6257 k = 0.2031 0.1467-0.0175 ( 11134 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8144 -18.8144 -18.3585 -18.3585 -18.3567 -18.3567 -18.3326 -18.3326 -18.1842 -18.1842 -18.1806 -18.1806 -15.7598 -15.7598 -15.6925 -15.6925 -5.0597 -5.0597 -4.4913 -4.4913 -4.3951 -4.3951 -4.3551 -4.3551 -4.3316 -4.3316 -4.2256 -4.2256 -4.1215 -4.1215 -3.8802 -3.8802 -3.7928 -3.7928 -3.7341 -3.7341 -3.3962 -3.3962 -3.3420 -3.3420 -3.1978 -3.1978 -3.1486 -3.1486 -3.1312 -3.1312 -3.0819 -3.0819 -3.0190 -3.0190 -2.9162 -2.9162 -2.8276 -2.8276 -2.7695 -2.7695 -2.7113 -2.7113 -2.6897 -2.6897 -2.6439 -2.6439 -2.6316 -2.6316 k = 0.2188 0.1580-0.0189 ( 11140 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8117 -18.8117 -18.3587 -18.3587 -18.3573 -18.3573 -18.3328 -18.3328 -18.1860 -18.1860 -18.1806 -18.1806 -15.7592 -15.7592 -15.6942 -15.6942 -5.0540 -5.0540 -4.4946 -4.4946 -4.3794 -4.3794 -4.3553 -4.3553 -4.3258 -4.3258 -4.2268 -4.2268 -4.1120 -4.1120 -3.8621 -3.8621 -3.7958 -3.7958 -3.7278 -3.7278 -3.3928 -3.3928 -3.3384 -3.3384 -3.1957 -3.1957 -3.1471 -3.1471 -3.1423 -3.1423 -3.0721 -3.0721 -3.0324 -3.0324 -2.9224 -2.9224 -2.8462 -2.8462 -2.7813 -2.7813 -2.7182 -2.7182 -2.6980 -2.6980 -2.6502 -2.6502 -2.6369 -2.6369 k = 0.2344 0.1693-0.0202 ( 11138 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8089 -18.8089 -18.3590 -18.3590 -18.3582 -18.3582 -18.3327 -18.3327 -18.1878 -18.1878 -18.1806 -18.1806 -15.7585 -15.7585 -15.6960 -15.6960 -5.0479 -5.0479 -4.4982 -4.4982 -4.3658 -4.3658 -4.3573 -4.3573 -4.3153 -4.3153 -4.2272 -4.2272 -4.1032 -4.1032 -3.8471 -3.8471 -3.7922 -3.7922 -3.7215 -3.7215 -3.3898 -3.3898 -3.3363 -3.3363 -3.1948 -3.1948 -3.1575 -3.1575 -3.1420 -3.1420 -3.0633 -3.0633 -3.0446 -3.0446 -2.9296 -2.9296 -2.8646 -2.8646 -2.7923 -2.7923 -2.7257 -2.7257 -2.7067 -2.7067 -2.6570 -2.6570 -2.6417 -2.6417 k = 0.2500 0.1806-0.0216 ( 11135 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8060 -18.8060 -18.3599 -18.3599 -18.3588 -18.3588 -18.3322 -18.3322 -18.1897 -18.1897 -18.1806 -18.1806 -15.7577 -15.7577 -15.6978 -15.6978 -5.0416 -5.0416 -4.5020 -4.5020 -4.3681 -4.3681 -4.3454 -4.3454 -4.3024 -4.3024 -4.2264 -4.2264 -4.0951 -4.0951 -3.8370 -3.8370 -3.7803 -3.7803 -3.7155 -3.7155 -3.3872 -3.3872 -3.3363 -3.3363 -3.1950 -3.1950 -3.1703 -3.1703 -3.1392 -3.1392 -3.0584 -3.0584 -3.0527 -3.0527 -2.9385 -2.9385 -2.8817 -2.8817 -2.8029 -2.8029 -2.7338 -2.7338 -2.7156 -2.7156 -2.6641 -2.6641 -2.6465 -2.6465 k = 0.2656 0.1918-0.0229 ( 11145 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8032 -18.8032 -18.3615 -18.3615 -18.3591 -18.3591 -18.3314 -18.3314 -18.1916 -18.1916 -18.1807 -18.1807 -15.7569 -15.7569 -15.6997 -15.6997 -5.0350 -5.0350 -4.5061 -4.5061 -4.3753 -4.3753 -4.3305 -4.3305 -4.2880 -4.2880 -4.2236 -4.2236 -4.0877 -4.0877 -3.8303 -3.8303 -3.7619 -3.7619 -3.7100 -3.7100 -3.3850 -3.3850 -3.3388 -3.3388 -3.1964 -3.1964 -3.1823 -3.1823 -3.1369 -3.1369 -3.0649 -3.0649 -3.0491 -3.0491 -2.9500 -2.9500 -2.8961 -2.8961 -2.8129 -2.8129 -2.7423 -2.7423 -2.7246 -2.7246 -2.6713 -2.6713 -2.6512 -2.6512 k = 0.2812 0.2031-0.0243 ( 11132 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8003 -18.8003 -18.3634 -18.3634 -18.3593 -18.3593 -18.3304 -18.3304 -18.1936 -18.1936 -18.1807 -18.1807 -15.7560 -15.7560 -15.7017 -15.7017 -5.0281 -5.0281 -4.5104 -4.5104 -4.3835 -4.3835 -4.3171 -4.3171 -4.2724 -4.2724 -4.2178 -4.2178 -4.0808 -4.0808 -3.8244 -3.8244 -3.7403 -3.7403 -3.7050 -3.7050 -3.3835 -3.3835 -3.3442 -3.3442 -3.1995 -3.1995 -3.1927 -3.1927 -3.1354 -3.1354 -3.0706 -3.0706 -3.0455 -3.0455 -2.9643 -2.9643 -2.9073 -2.9073 -2.8224 -2.8224 -2.7510 -2.7510 -2.7332 -2.7332 -2.6783 -2.6783 -2.6559 -2.6559 k = 0.2969 0.2144-0.0256 ( 11131 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7974 -18.7974 -18.3654 -18.3654 -18.3594 -18.3594 -18.3292 -18.3292 -18.1955 -18.1955 -18.1807 -18.1807 -15.7551 -15.7551 -15.7037 -15.7037 -5.0211 -5.0211 -4.5151 -4.5151 -4.3922 -4.3922 -4.3065 -4.3065 -4.2558 -4.2558 -4.2081 -4.2081 -4.0744 -4.0744 -3.8178 -3.8178 -3.7188 -3.7188 -3.6996 -3.6996 -3.3824 -3.3824 -3.3524 -3.3524 -3.2059 -3.2059 -3.1995 -3.1995 -3.1350 -3.1350 -3.0738 -3.0738 -3.0436 -3.0436 -2.9806 -2.9806 -2.9162 -2.9162 -2.8313 -2.8313 -2.7600 -2.7600 -2.7412 -2.7412 -2.6852 -2.6852 -2.6607 -2.6607 k = 0.3125 0.2257-0.0270 ( 11140 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7946 -18.7946 -18.3675 -18.3675 -18.3596 -18.3596 -18.3279 -18.3279 -18.1975 -18.1975 -18.1807 -18.1807 -15.7541 -15.7541 -15.7056 -15.7056 -5.0139 -5.0139 -4.5200 -4.5200 -4.4014 -4.4014 -4.2993 -4.2993 -4.2384 -4.2384 -4.1942 -4.1942 -4.0681 -4.0681 -3.8104 -3.8104 -3.7067 -3.7067 -3.6856 -3.6856 -3.3821 -3.3821 -3.3631 -3.3631 -3.2139 -3.2139 -3.2041 -3.2041 -3.1355 -3.1355 -3.0746 -3.0746 -3.0433 -3.0433 -2.9978 -2.9978 -2.9239 -2.9239 -2.8396 -2.8396 -2.7689 -2.7689 -2.7481 -2.7481 -2.6919 -2.6919 -2.6656 -2.6656 k = 0.3281 0.2370-0.0283 ( 11130 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7918 -18.7918 -18.3696 -18.3696 -18.3598 -18.3598 -18.3265 -18.3265 -18.1994 -18.1994 -18.1807 -18.1807 -15.7531 -15.7531 -15.7076 -15.7076 -5.0067 -5.0067 -4.5251 -4.5251 -4.4107 -4.4107 -4.2949 -4.2949 -4.2202 -4.2202 -4.1766 -4.1766 -4.0619 -4.0619 -3.8021 -3.8021 -3.7054 -3.7054 -3.6629 -3.6629 -3.3841 -3.3841 -3.3738 -3.3738 -3.2214 -3.2214 -3.2087 -3.2087 -3.1363 -3.1363 -3.0740 -3.0740 -3.0443 -3.0443 -3.0148 -3.0148 -2.9314 -2.9314 -2.8471 -2.8471 -2.7779 -2.7779 -2.7537 -2.7537 -2.6984 -2.6984 -2.6705 -2.6705 k = 0.3438 0.2483-0.0297 ( 11129 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7892 -18.7892 -18.3717 -18.3717 -18.3599 -18.3599 -18.3251 -18.3251 -18.2013 -18.2013 -18.1808 -18.1808 -15.7521 -15.7521 -15.7096 -15.7096 -4.9995 -4.9995 -4.5303 -4.5303 -4.4200 -4.4200 -4.2927 -4.2927 -4.2015 -4.2015 -4.1560 -4.1560 -4.0555 -4.0555 -3.7933 -3.7933 -3.7082 -3.7082 -3.6388 -3.6388 -3.3953 -3.3953 -3.3768 -3.3768 -3.2285 -3.2285 -3.2136 -3.2136 -3.1370 -3.1370 -3.0726 -3.0726 -3.0466 -3.0466 -3.0306 -3.0306 -2.9392 -2.9392 -2.8539 -2.8539 -2.7869 -2.7869 -2.7576 -2.7576 -2.7046 -2.7046 -2.6754 -2.6754 k = 0.3594 0.2595-0.0310 ( 11127 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7867 -18.7867 -18.3738 -18.3738 -18.3601 -18.3601 -18.3236 -18.3236 -18.2031 -18.2031 -18.1808 -18.1808 -15.7510 -15.7510 -15.7115 -15.7115 -4.9924 -4.9924 -4.5358 -4.5358 -4.4291 -4.4291 -4.2919 -4.2919 -4.1824 -4.1824 -4.1334 -4.1334 -4.0490 -4.0490 -3.7846 -3.7846 -3.7141 -3.7141 -3.6150 -3.6150 -3.4108 -3.4108 -3.3757 -3.3757 -3.2351 -3.2351 -3.2186 -3.2186 -3.1375 -3.1375 -3.0719 -3.0719 -3.0522 -3.0522 -3.0422 -3.0422 -2.9476 -2.9476 -2.8597 -2.8597 -2.7958 -2.7958 -2.7599 -2.7599 -2.7105 -2.7105 -2.6802 -2.6802 k = 0.3750 0.2708-0.0323 ( 11123 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7843 -18.7843 -18.3757 -18.3757 -18.3602 -18.3602 -18.3222 -18.3222 -18.2048 -18.2048 -18.1808 -18.1808 -15.7499 -15.7499 -15.7134 -15.7134 -4.9855 -4.9855 -4.5413 -4.5413 -4.4377 -4.4377 -4.2919 -4.2919 -4.1634 -4.1634 -4.1094 -4.1094 -4.0423 -4.0423 -3.7764 -3.7764 -3.7229 -3.7229 -3.5924 -3.5924 -3.4269 -3.4269 -3.3733 -3.3733 -3.2414 -3.2414 -3.2238 -3.2238 -3.1374 -3.1374 -3.0754 -3.0754 -3.0599 -3.0599 -3.0473 -3.0473 -2.9563 -2.9563 -2.8645 -2.8645 -2.8045 -2.8045 -2.7608 -2.7608 -2.7162 -2.7162 -2.6849 -2.6849 k = 0.3906 0.2821-0.0337 ( 11126 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7822 -18.7822 -18.3776 -18.3776 -18.3603 -18.3603 -18.3209 -18.3209 -18.2064 -18.2064 -18.1808 -18.1808 -15.7488 -15.7488 -15.7153 -15.7153 -4.9789 -4.9789 -4.5467 -4.5467 -4.4457 -4.4457 -4.2924 -4.2924 -4.1449 -4.1449 -4.0844 -4.0844 -4.0353 -4.0353 -3.7691 -3.7691 -3.7347 -3.7347 -3.5716 -3.5716 -3.4420 -3.4420 -3.3697 -3.3697 -3.2473 -3.2473 -3.2289 -3.2289 -3.1370 -3.1370 -3.0863 -3.0863 -3.0620 -3.0620 -3.0505 -3.0505 -2.9648 -2.9648 -2.8683 -2.8683 -2.8128 -2.8128 -2.7606 -2.7606 -2.7215 -2.7215 -2.6894 -2.6894 k = 0.4062 0.2934-0.0350 ( 11118 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7803 -18.7803 -18.3792 -18.3792 -18.3604 -18.3604 -18.3197 -18.3197 -18.2078 -18.2078 -18.1808 -18.1808 -15.7477 -15.7477 -15.7170 -15.7170 -4.9727 -4.9727 -4.5519 -4.5519 -4.4529 -4.4529 -4.2931 -4.2931 -4.1272 -4.1272 -4.0590 -4.0590 -4.0279 -4.0279 -3.7637 -3.7637 -3.7487 -3.7487 -3.5536 -3.5536 -3.4550 -3.4550 -3.3651 -3.3651 -3.2527 -3.2527 -3.2337 -3.2337 -3.1363 -3.1363 -3.0999 -3.0999 -3.0621 -3.0621 -3.0534 -3.0534 -2.9726 -2.9726 -2.8710 -2.8710 -2.8206 -2.8206 -2.7595 -2.7595 -2.7264 -2.7264 -2.6936 -2.6936 k = 0.4219 0.3047-0.0364 ( 11119 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7786 -18.7786 -18.3806 -18.3806 -18.3605 -18.3605 -18.3186 -18.3186 -18.2091 -18.2091 -18.1808 -18.1808 -15.7467 -15.7467 -15.7186 -15.7186 -4.9672 -4.9672 -4.5568 -4.5568 -4.4591 -4.4591 -4.2939 -4.2939 -4.1111 -4.1111 -4.0350 -4.0350 -4.0189 -4.0189 -3.7683 -3.7683 -3.7567 -3.7567 -3.5400 -3.5400 -3.4641 -3.4641 -3.3596 -3.3596 -3.2578 -3.2578 -3.2377 -3.2377 -3.1356 -3.1356 -3.1136 -3.1136 -3.0628 -3.0628 -3.0557 -3.0557 -2.9794 -2.9794 -2.8728 -2.8728 -2.8278 -2.8278 -2.7580 -2.7580 -2.7309 -2.7309 -2.6974 -2.6974 k = 0.4375 0.3160-0.0377 ( 11114 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7772 -18.7772 -18.3819 -18.3819 -18.3605 -18.3605 -18.3177 -18.3177 -18.2102 -18.2102 -18.1809 -18.1809 -15.7457 -15.7457 -15.7200 -15.7200 -4.9624 -4.9624 -4.5612 -4.5612 -4.4643 -4.4643 -4.2946 -4.2946 -4.0970 -4.0970 -4.0194 -4.0194 -4.0017 -4.0017 -3.7863 -3.7863 -3.7548 -3.7548 -3.5322 -3.5322 -3.4680 -3.4680 -3.3534 -3.3534 -3.2629 -3.2629 -3.2400 -3.2400 -3.1357 -3.1357 -3.1259 -3.1259 -3.0647 -3.0647 -3.0570 -3.0570 -2.9846 -2.9846 -2.8737 -2.8737 -2.8340 -2.8340 -2.7561 -2.7561 -2.7350 -2.7350 -2.7006 -2.7006 k = 0.4531 0.3273-0.0391 ( 11110 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8211 -40.8211 -40.8166 -40.8166 -18.7761 -18.7761 -18.3828 -18.3828 -18.3606 -18.3606 -18.3169 -18.3169 -18.2110 -18.2110 -18.1809 -18.1809 -15.7449 -15.7449 -15.7213 -15.7213 -4.9585 -4.9585 -4.5649 -4.5649 -4.4683 -4.4683 -4.2952 -4.2952 -4.0856 -4.0856 -4.0116 -4.0116 -3.9778 -3.9778 -3.8063 -3.8063 -3.7537 -3.7537 -3.5299 -3.5299 -3.4668 -3.4668 -3.3471 -3.3471 -3.2684 -3.2684 -3.2401 -3.2401 -3.1423 -3.1423 -3.1310 -3.1310 -3.0674 -3.0674 -3.0575 -3.0575 -2.9884 -2.9884 -2.8741 -2.8741 -2.8392 -2.8392 -2.7540 -2.7540 -2.7386 -2.7386 -2.7033 -2.7033 k = 0.4688 0.3385-0.0404 ( 11116 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7753 -18.7753 -18.3835 -18.3835 -18.3606 -18.3606 -18.3163 -18.3163 -18.2117 -18.2117 -18.1809 -18.1809 -15.7442 -15.7442 -15.7222 -15.7222 -4.9556 -4.9556 -4.5677 -4.5677 -4.4712 -4.4712 -4.2957 -4.2957 -4.0772 -4.0772 -4.0061 -4.0061 -3.9541 -3.9541 -3.8266 -3.8266 -3.7535 -3.7535 -3.5307 -3.5307 -3.4634 -3.4634 -3.3413 -3.3413 -3.2736 -3.2736 -3.2383 -3.2383 -3.1524 -3.1524 -3.1310 -3.1310 -3.0699 -3.0699 -3.0577 -3.0577 -2.9909 -2.9909 -2.8741 -2.8741 -2.8431 -2.8431 -2.7519 -2.7519 -2.7418 -2.7418 -2.7053 -2.7053 k = 0.4844 0.3498-0.0418 ( 11121 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7748 -18.7748 -18.3839 -18.3839 -18.3607 -18.3607 -18.3160 -18.3160 -18.2120 -18.2120 -18.1809 -18.1809 -15.7438 -15.7438 -15.7228 -15.7228 -4.9538 -4.9538 -4.5695 -4.5695 -4.4730 -4.4730 -4.2960 -4.2960 -4.0722 -4.0722 -4.0025 -4.0025 -3.9344 -3.9344 -3.8444 -3.8444 -3.7537 -3.7537 -3.5320 -3.5320 -3.4605 -3.4605 -3.3369 -3.3369 -3.2777 -3.2777 -3.2361 -3.2361 -3.1599 -3.1599 -3.1307 -3.1307 -3.0717 -3.0717 -3.0578 -3.0578 -2.9922 -2.9922 -2.8740 -2.8740 -2.8456 -2.8456 -2.7496 -2.7496 -2.7447 -2.7447 -2.7065 -2.7065 k = 0.5000 0.3611-0.0431 ( 11112 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8211 -40.8211 -40.8166 -40.8166 -18.7747 -18.7747 -18.3841 -18.3841 -18.3607 -18.3607 -18.3159 -18.3159 -18.2122 -18.2122 -18.1809 -18.1809 -15.7436 -15.7436 -15.7230 -15.7230 -4.9532 -4.9532 -4.5701 -4.5701 -4.4736 -4.4736 -4.2961 -4.2961 -4.0705 -4.0705 -4.0013 -4.0013 -3.9256 -3.9256 -3.8525 -3.8525 -3.7539 -3.7539 -3.5325 -3.5325 -3.4594 -3.4594 -3.3352 -3.3352 -3.2793 -3.2793 -3.2351 -3.2351 -3.1628 -3.1628 -3.1306 -3.1306 -3.0723 -3.0723 -3.0579 -3.0579 -2.9927 -2.9927 -2.8739 -2.8739 -2.8465 -2.8465 -2.7475 -2.7475 -2.7469 -2.7469 -2.7070 -2.7070 k = 0.5000 0.3611-0.0431 ( 11112 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8211 -40.8211 -40.8166 -40.8166 -18.7747 -18.7747 -18.3841 -18.3841 -18.3607 -18.3607 -18.3159 -18.3159 -18.2122 -18.2122 -18.1809 -18.1809 -15.7436 -15.7436 -15.7230 -15.7230 -4.9532 -4.9532 -4.5701 -4.5701 -4.4736 -4.4736 -4.2961 -4.2961 -4.0705 -4.0705 -4.0013 -4.0013 -3.9256 -3.9256 -3.8525 -3.8525 -3.7539 -3.7539 -3.5325 -3.5325 -3.4594 -3.4594 -3.3352 -3.3352 -3.2793 -3.2793 -3.2351 -3.2351 -3.1628 -3.1628 -3.1306 -3.1306 -3.0723 -3.0723 -3.0579 -3.0579 -2.9927 -2.9927 -2.8739 -2.8739 -2.8465 -2.8465 -2.7475 -2.7475 -2.7469 -2.7469 -2.7070 -2.7070 k = 0.5011 0.3619-0.0240 ( 11121 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7746 -18.7746 -18.3842 -18.3842 -18.3606 -18.3606 -18.3160 -18.3160 -18.2121 -18.2121 -18.1810 -18.1810 -15.7436 -15.7436 -15.7230 -15.7230 -4.9527 -4.9527 -4.5696 -4.5696 -4.4729 -4.4729 -4.2958 -4.2958 -4.0703 -4.0703 -4.0012 -4.0012 -3.9260 -3.9260 -3.8518 -3.8518 -3.7557 -3.7557 -3.5322 -3.5322 -3.4589 -3.4589 -3.3357 -3.3357 -3.2800 -3.2800 -3.2373 -3.2373 -3.1622 -3.1622 -3.1302 -3.1302 -3.0713 -3.0713 -3.0576 -3.0576 -2.9930 -2.9930 -2.8747 -2.8747 -2.8460 -2.8460 -2.7487 -2.7487 -2.7456 -2.7456 -2.7074 -2.7074 k = 0.5022 0.3627-0.0049 ( 11120 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7743 -18.7743 -18.3843 -18.3843 -18.3603 -18.3603 -18.3162 -18.3162 -18.2119 -18.2119 -18.1813 -18.1813 -15.7437 -15.7437 -15.7230 -15.7230 -4.9513 -4.9513 -4.5681 -4.5681 -4.4708 -4.4708 -4.2946 -4.2946 -4.0696 -4.0696 -4.0009 -4.0009 -3.9274 -3.9274 -3.8499 -3.8499 -3.7609 -3.7609 -3.5315 -3.5315 -3.4576 -3.4576 -3.3371 -3.3371 -3.2822 -3.2822 -3.2430 -3.2430 -3.1610 -3.1610 -3.1289 -3.1289 -3.0684 -3.0684 -3.0566 -3.0566 -2.9939 -2.9939 -2.8771 -2.8771 -2.8446 -2.8446 -2.7497 -2.7497 -2.7438 -2.7438 -2.7086 -2.7086 k = 0.5032 0.3635 0.0142 ( 11116 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7739 -18.7739 -18.3846 -18.3846 -18.3598 -18.3598 -18.3166 -18.3166 -18.2117 -18.2117 -18.1818 -18.1818 -15.7439 -15.7439 -15.7231 -15.7231 -4.9489 -4.9489 -4.5656 -4.5656 -4.4672 -4.4672 -4.2927 -4.2927 -4.0686 -4.0686 -4.0004 -4.0004 -3.9296 -3.9296 -3.8469 -3.8469 -3.7693 -3.7693 -3.5308 -3.5308 -3.4553 -3.4553 -3.3393 -3.3393 -3.2864 -3.2864 -3.2503 -3.2503 -3.1608 -3.1608 -3.1269 -3.1269 -3.0632 -3.0632 -3.0549 -3.0549 -2.9955 -2.9955 -2.8805 -2.8805 -2.8428 -2.8428 -2.7504 -2.7504 -2.7420 -2.7420 -2.7106 -2.7106 k = 0.5043 0.3642 0.0333 ( 11114 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7733 -18.7733 -18.3850 -18.3850 -18.3592 -18.3592 -18.3171 -18.3171 -18.2113 -18.2113 -18.1825 -18.1825 -15.7441 -15.7441 -15.7232 -15.7232 -4.9455 -4.9455 -4.5621 -4.5621 -4.4623 -4.4623 -4.2901 -4.2901 -4.0671 -4.0671 -3.9998 -3.9998 -3.9325 -3.9325 -3.8429 -3.8429 -3.7802 -3.7802 -3.5308 -3.5308 -3.4522 -3.4522 -3.3423 -3.3423 -3.2931 -3.2931 -3.2573 -3.2573 -3.1624 -3.1624 -3.1244 -3.1244 -3.0570 -3.0570 -3.0516 -3.0516 -2.9977 -2.9977 -2.8848 -2.8848 -2.8408 -2.8408 -2.7507 -2.7507 -2.7403 -2.7403 -2.7133 -2.7133 k = 0.5054 0.3650 0.0524 ( 11108 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8211 -40.8211 -40.8166 -40.8166 -18.7725 -18.7725 -18.3856 -18.3856 -18.3583 -18.3583 -18.3177 -18.3177 -18.2108 -18.2108 -18.1834 -18.1834 -15.7444 -15.7444 -15.7234 -15.7234 -4.9413 -4.9413 -4.5577 -4.5577 -4.4561 -4.4561 -4.2868 -4.2868 -4.0653 -4.0653 -3.9990 -3.9990 -3.9360 -3.9360 -3.8380 -3.8380 -3.7931 -3.7931 -3.5322 -3.5322 -3.4484 -3.4484 -3.3459 -3.3459 -3.3022 -3.3022 -3.2631 -3.2631 -3.1660 -3.1660 -3.1214 -3.1214 -3.0526 -3.0526 -3.0439 -3.0439 -3.0004 -3.0004 -2.8896 -2.8896 -2.8388 -2.8388 -2.7506 -2.7506 -2.7388 -2.7388 -2.7168 -2.7168 k = 0.5065 0.3658 0.0715 ( 11114 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7716 -18.7716 -18.3862 -18.3862 -18.3573 -18.3573 -18.3184 -18.3184 -18.2103 -18.2103 -18.1845 -18.1845 -15.7447 -15.7447 -15.7235 -15.7235 -4.9362 -4.9362 -4.5523 -4.5523 -4.4485 -4.4485 -4.2827 -4.2827 -4.0633 -4.0633 -3.9980 -3.9980 -3.9400 -3.9400 -3.8329 -3.8329 -3.8072 -3.8072 -3.5352 -3.5352 -3.4448 -3.4448 -3.3499 -3.3499 -3.3124 -3.3124 -3.2678 -3.2678 -3.1715 -3.1715 -3.1179 -3.1179 -3.0492 -3.0492 -3.0336 -3.0336 -3.0035 -3.0035 -2.8947 -2.8947 -2.8371 -2.8371 -2.7502 -2.7502 -2.7375 -2.7375 -2.7210 -2.7210 k = 0.5076 0.3666 0.0906 ( 11110 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8211 -40.8211 -40.8166 -40.8166 -18.7705 -18.7705 -18.3870 -18.3870 -18.3561 -18.3561 -18.3192 -18.3192 -18.2097 -18.2097 -18.1857 -18.1857 -15.7450 -15.7450 -15.7237 -15.7237 -4.9303 -4.9303 -4.5459 -4.5459 -4.4396 -4.4396 -4.2780 -4.2780 -4.0610 -4.0610 -3.9970 -3.9970 -3.9445 -3.9445 -3.8310 -3.8310 -3.8185 -3.8185 -3.5400 -3.5400 -3.4422 -3.4422 -3.3541 -3.3541 -3.3221 -3.3221 -3.2719 -3.2719 -3.1782 -3.1782 -3.1139 -3.1139 -3.0458 -3.0458 -3.0235 -3.0235 -3.0055 -3.0055 -2.9001 -2.9001 -2.8357 -2.8357 -2.7497 -2.7497 -2.7366 -2.7366 -2.7257 -2.7257 k = 0.5087 0.3674 0.1097 ( 11118 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7694 -18.7694 -18.3879 -18.3879 -18.3548 -18.3548 -18.3200 -18.3200 -18.2090 -18.2090 -18.1871 -18.1871 -15.7454 -15.7454 -15.7240 -15.7240 -4.9236 -4.9236 -4.5386 -4.5386 -4.4296 -4.4296 -4.2727 -4.2727 -4.0587 -4.0587 -3.9958 -3.9958 -3.9494 -3.9494 -3.8433 -3.8433 -3.8158 -3.8158 -3.5467 -3.5467 -3.4420 -3.4420 -3.3586 -3.3586 -3.3300 -3.3300 -3.2758 -3.2758 -3.1857 -3.1857 -3.1097 -3.1097 -3.0421 -3.0421 -3.0190 -3.0190 -3.0016 -3.0016 -2.9057 -2.9057 -2.8346 -2.8346 -2.7493 -2.7493 -2.7363 -2.7363 -2.7306 -2.7306 k = 0.5097 0.3682 0.1288 ( 11121 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7681 -18.7681 -18.3889 -18.3889 -18.3533 -18.3533 -18.3209 -18.3209 -18.2083 -18.2083 -18.1887 -18.1887 -15.7459 -15.7459 -15.7242 -15.7242 -4.9162 -4.9162 -4.5304 -4.5304 -4.4183 -4.4183 -4.2667 -4.2667 -4.0565 -4.0565 -3.9946 -3.9946 -3.9547 -3.9547 -3.8599 -3.8599 -3.8087 -3.8087 -3.5551 -3.5551 -3.4453 -3.4453 -3.3633 -3.3633 -3.3346 -3.3346 -3.2798 -3.2798 -3.1935 -3.1935 -3.1053 -3.1053 -3.0385 -3.0385 -3.0209 -3.0209 -2.9909 -2.9909 -2.9113 -2.9113 -2.8339 -2.8339 -2.7492 -2.7492 -2.7389 -2.7389 -2.7332 -2.7332 k = 0.5108 0.3689 0.1479 ( 11125 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7667 -18.7667 -18.3900 -18.3900 -18.3517 -18.3517 -18.3217 -18.3217 -18.2075 -18.2075 -18.1904 -18.1904 -15.7463 -15.7463 -15.7244 -15.7244 -4.9083 -4.9083 -4.5214 -4.5214 -4.4060 -4.4060 -4.2602 -4.2602 -4.0545 -4.0545 -3.9933 -3.9933 -3.9604 -3.9604 -3.8771 -3.8771 -3.8005 -3.8005 -3.5653 -3.5653 -3.4524 -3.4524 -3.3684 -3.3684 -3.3357 -3.3357 -3.2838 -3.2838 -3.2013 -3.2013 -3.1007 -3.1007 -3.0358 -3.0358 -3.0231 -3.0231 -2.9785 -2.9785 -2.9168 -2.9168 -2.8336 -2.8336 -2.7500 -2.7500 -2.7443 -2.7443 -2.7333 -2.7333 k = 0.5119 0.3697 0.1671 ( 11135 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7652 -18.7652 -18.3912 -18.3912 -18.3500 -18.3500 -18.3226 -18.3226 -18.2068 -18.2068 -18.1922 -18.1922 -15.7468 -15.7468 -15.7247 -15.7247 -4.8998 -4.8998 -4.5115 -4.5115 -4.3927 -4.3927 -4.2531 -4.2531 -4.0530 -4.0530 -3.9922 -3.9922 -3.9664 -3.9664 -3.8942 -3.8942 -3.7917 -3.7917 -3.5772 -3.5772 -3.4627 -3.4627 -3.3737 -3.3737 -3.3340 -3.3340 -3.2880 -3.2880 -3.2087 -3.2087 -3.0960 -3.0960 -3.0362 -3.0362 -3.0222 -3.0222 -2.9658 -2.9658 -2.9223 -2.9223 -2.8337 -2.8337 -2.7534 -2.7534 -2.7487 -2.7487 -2.7330 -2.7330 k = 0.5130 0.3705 0.1862 ( 11149 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7637 -18.7637 -18.3925 -18.3925 -18.3482 -18.3482 -18.3234 -18.3234 -18.2060 -18.2060 -18.1941 -18.1941 -15.7473 -15.7473 -15.7250 -15.7250 -4.8908 -4.8908 -4.5008 -4.5008 -4.3785 -4.3785 -4.2456 -4.2456 -4.0523 -4.0523 -3.9913 -3.9913 -3.9726 -3.9726 -3.9106 -3.9106 -3.7824 -3.7824 -3.5906 -3.5906 -3.4753 -3.4753 -3.3790 -3.3790 -3.3308 -3.3308 -3.2922 -3.2922 -3.2155 -3.2155 -3.0914 -3.0914 -3.0389 -3.0389 -3.0184 -3.0184 -2.9532 -2.9532 -2.9274 -2.9274 -2.8343 -2.8343 -2.7599 -2.7599 -2.7511 -2.7511 -2.7326 -2.7326 k = 0.5141 0.3713 0.2053 ( 11152 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7622 -18.7622 -18.3939 -18.3939 -18.3463 -18.3463 -18.3242 -18.3242 -18.2053 -18.2053 -18.1961 -18.1961 -15.7478 -15.7478 -15.7252 -15.7252 -4.8816 -4.8816 -4.4894 -4.4894 -4.3634 -4.3634 -4.2376 -4.2376 -4.0528 -4.0528 -3.9911 -3.9911 -3.9786 -3.9786 -3.9259 -3.9259 -3.7727 -3.7727 -3.6053 -3.6053 -3.4894 -3.4894 -3.3844 -3.3844 -3.3271 -3.3271 -3.2966 -3.2966 -3.2215 -3.2215 -3.0867 -3.0867 -3.0419 -3.0419 -3.0136 -3.0136 -2.9418 -2.9418 -2.9313 -2.9313 -2.8353 -2.8353 -2.7672 -2.7672 -2.7537 -2.7537 -2.7322 -2.7322 k = 0.5152 0.3721 0.2244 ( 11142 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7606 -18.7606 -18.3953 -18.3953 -18.3444 -18.3444 -18.3250 -18.3250 -18.2045 -18.2045 -18.1981 -18.1981 -15.7483 -15.7483 -15.7255 -15.7255 -4.8721 -4.8721 -4.4773 -4.4773 -4.3478 -4.3478 -4.2292 -4.2292 -4.0550 -4.0550 -3.9931 -3.9931 -3.9829 -3.9829 -3.9393 -3.9393 -3.7626 -3.7626 -3.6212 -3.6212 -3.5042 -3.5042 -3.3897 -3.3897 -3.3237 -3.3237 -3.3009 -3.3009 -3.2266 -3.2266 -3.0821 -3.0821 -3.0443 -3.0443 -3.0086 -3.0086 -2.9385 -2.9385 -2.9268 -2.9268 -2.8368 -2.8368 -2.7747 -2.7747 -2.7569 -2.7569 -2.7320 -2.7320 k = 0.5162 0.3728 0.2435 ( 11156 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7590 -18.7590 -18.3967 -18.3967 -18.3424 -18.3424 -18.3256 -18.3256 -18.2038 -18.2038 -18.2002 -18.2002 -15.7488 -15.7488 -15.7258 -15.7258 -4.8625 -4.8625 -4.4646 -4.4646 -4.3316 -4.3316 -4.2206 -4.2206 -4.0592 -4.0592 -3.9984 -3.9984 -3.9844 -3.9844 -3.9506 -3.9506 -3.7521 -3.7521 -3.6379 -3.6379 -3.5192 -3.5192 -3.3952 -3.3952 -3.3212 -3.3212 -3.3051 -3.3051 -3.2307 -3.2307 -3.0777 -3.0777 -3.0455 -3.0455 -3.0039 -3.0039 -2.9413 -2.9413 -2.9160 -2.9160 -2.8389 -2.8389 -2.7823 -2.7823 -2.7606 -2.7606 -2.7321 -2.7321 k = 0.5173 0.3736 0.2626 ( 11159 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7575 -18.7575 -18.3981 -18.3981 -18.3405 -18.3405 -18.3263 -18.3263 -18.2032 -18.2032 -18.2023 -18.2023 -15.7493 -15.7493 -15.7260 -15.7260 -4.8530 -4.8530 -4.4514 -4.4514 -4.3153 -4.3153 -4.2117 -4.2117 -4.0654 -4.0654 -4.0055 -4.0055 -3.9848 -3.9848 -3.9593 -3.9593 -3.7415 -3.7415 -3.6553 -3.6553 -3.5340 -3.5340 -3.4007 -3.4007 -3.3198 -3.3198 -3.3092 -3.3092 -3.2340 -3.2340 -3.0735 -3.0735 -3.0455 -3.0455 -2.9997 -2.9997 -2.9435 -2.9435 -2.9052 -2.9052 -2.8414 -2.8414 -2.7897 -2.7897 -2.7648 -2.7648 -2.7325 -2.7325 k = 0.5184 0.3744 0.2817 ( 11166 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7560 -18.7560 -18.3995 -18.3995 -18.3385 -18.3385 -18.3268 -18.3268 -18.2043 -18.2043 -18.2025 -18.2025 -15.7498 -15.7498 -15.7262 -15.7262 -4.8437 -4.8437 -4.4380 -4.4380 -4.2991 -4.2991 -4.2027 -4.2027 -4.0733 -4.0733 -4.0133 -4.0133 -3.9852 -3.9852 -3.9658 -3.9658 -3.7307 -3.7307 -3.6730 -3.6730 -3.5482 -3.5482 -3.4063 -3.4063 -3.3195 -3.3195 -3.3130 -3.3130 -3.2366 -3.2366 -3.0695 -3.0695 -3.0442 -3.0442 -2.9966 -2.9966 -2.9443 -2.9443 -2.8950 -2.8950 -2.8445 -2.8445 -2.7967 -2.7967 -2.7692 -2.7692 -2.7333 -2.7333 k = 0.5195 0.3752 0.3008 ( 11179 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7547 -18.7547 -18.4009 -18.4009 -18.3366 -18.3366 -18.3273 -18.3273 -18.2063 -18.2063 -18.2020 -18.2020 -15.7503 -15.7503 -15.7265 -15.7265 -4.8347 -4.8347 -4.4243 -4.4243 -4.2835 -4.2835 -4.1937 -4.1937 -4.0819 -4.0819 -4.0214 -4.0214 -3.9860 -3.9860 -3.9705 -3.9705 -3.7200 -3.7200 -3.6904 -3.6904 -3.5616 -3.5616 -3.4121 -3.4121 -3.3203 -3.3203 -3.3164 -3.3164 -3.2386 -3.2386 -3.0659 -3.0659 -3.0416 -3.0416 -2.9948 -2.9948 -2.9434 -2.9434 -2.8857 -2.8857 -2.8479 -2.8479 -2.8033 -2.8033 -2.7739 -2.7739 -2.7345 -2.7345 k = 0.5206 0.3760 0.3199 ( 11170 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7534 -18.7534 -18.4022 -18.4022 -18.3349 -18.3349 -18.3277 -18.3277 -18.2081 -18.2081 -18.2015 -18.2015 -15.7507 -15.7507 -15.7267 -15.7267 -4.8263 -4.8263 -4.4106 -4.4106 -4.2691 -4.2691 -4.1849 -4.1849 -4.0900 -4.0900 -4.0296 -4.0296 -3.9875 -3.9875 -3.9740 -3.9740 -3.7132 -3.7132 -3.7037 -3.7037 -3.5738 -3.5738 -3.4182 -3.4182 -3.3221 -3.3221 -3.3192 -3.3192 -3.2403 -3.2403 -3.0626 -3.0626 -3.0379 -3.0379 -2.9942 -2.9942 -2.9407 -2.9407 -2.8780 -2.8780 -2.8513 -2.8513 -2.8091 -2.8091 -2.7783 -2.7783 -2.7361 -2.7361 k = 0.5217 0.3768 0.3390 ( 11170 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7522 -18.7522 -18.4034 -18.4034 -18.3332 -18.3332 -18.3280 -18.3280 -18.2098 -18.2098 -18.2010 -18.2010 -15.7511 -15.7511 -15.7268 -15.7268 -4.8184 -4.8184 -4.3972 -4.3972 -4.2567 -4.2567 -4.1764 -4.1764 -4.0962 -4.0962 -4.0377 -4.0377 -3.9901 -3.9901 -3.9766 -3.9766 -3.7265 -3.7265 -3.6963 -3.6963 -3.5846 -3.5846 -3.4244 -3.4244 -3.3244 -3.3244 -3.3215 -3.3215 -3.2417 -3.2417 -3.0597 -3.0597 -3.0335 -3.0335 -2.9946 -2.9946 -2.9367 -2.9367 -2.8731 -2.8731 -2.8534 -2.8534 -2.8143 -2.8143 -2.7824 -2.7824 -2.7380 -2.7380 k = 0.5227 0.3775 0.3581 ( 11165 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7512 -18.7512 -18.4044 -18.4044 -18.3317 -18.3317 -18.3282 -18.3282 -18.2114 -18.2114 -18.2006 -18.2006 -15.7514 -15.7514 -15.7270 -15.7270 -4.8115 -4.8115 -4.3846 -4.3846 -4.2470 -4.2470 -4.1685 -4.1685 -4.0992 -4.0992 -4.0455 -4.0455 -3.9945 -3.9945 -3.9781 -3.9781 -3.7420 -3.7420 -3.6859 -3.6859 -3.5936 -3.5936 -3.4308 -3.4308 -3.3269 -3.3269 -3.3236 -3.3236 -3.2429 -3.2429 -3.0572 -3.0572 -3.0286 -3.0286 -2.9955 -2.9955 -2.9315 -2.9315 -2.8730 -2.8730 -2.8524 -2.8524 -2.8187 -2.8187 -2.7857 -2.7857 -2.7404 -2.7404 k = 0.5238 0.3783 0.3772 ( 11172 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7503 -18.7503 -18.4053 -18.4053 -18.3305 -18.3305 -18.3284 -18.3284 -18.2127 -18.2127 -18.2003 -18.2003 -15.7517 -15.7517 -15.7271 -15.7271 -4.8054 -4.8054 -4.3732 -4.3732 -4.2405 -4.2405 -4.1617 -4.1617 -4.0980 -4.0980 -4.0525 -4.0525 -4.0008 -4.0008 -3.9787 -3.9787 -3.7566 -3.7566 -3.6755 -3.6755 -3.6007 -3.6007 -3.4373 -3.4373 -3.3290 -3.3290 -3.3257 -3.3257 -3.2439 -3.2439 -3.0553 -3.0553 -3.0236 -3.0236 -2.9966 -2.9966 -2.9258 -2.9258 -2.8767 -2.8767 -2.8495 -2.8495 -2.8224 -2.8224 -2.7877 -2.7877 -2.7431 -2.7431 k = 0.5249 0.3791 0.3963 ( 11162 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7497 -18.7497 -18.4060 -18.4060 -18.3295 -18.3295 -18.3285 -18.3285 -18.2138 -18.2138 -18.2000 -18.2000 -15.7520 -15.7520 -15.7271 -15.7271 -4.8005 -4.8005 -4.3636 -4.3636 -4.2368 -4.2368 -4.1565 -4.1565 -4.0929 -4.0929 -4.0583 -4.0583 -4.0087 -4.0087 -3.9786 -3.9786 -3.7697 -3.7697 -3.6657 -3.6657 -3.6056 -3.6056 -3.4438 -3.4438 -3.3309 -3.3309 -3.3276 -3.3276 -3.2447 -3.2447 -3.0539 -3.0539 -3.0189 -3.0189 -2.9977 -2.9977 -2.9198 -2.9198 -2.8819 -2.8819 -2.8468 -2.8468 -2.8254 -2.8254 -2.7879 -2.7879 -2.7460 -2.7460 k = 0.5260 0.3799 0.4155 ( 11159 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7492 -18.7492 -18.4065 -18.4065 -18.3290 -18.3290 -18.3283 -18.3283 -18.2146 -18.2146 -18.1998 -18.1998 -15.7522 -15.7522 -15.7272 -15.7272 -4.7969 -4.7969 -4.3569 -4.3569 -4.2344 -4.2344 -4.1534 -4.1534 -4.0852 -4.0852 -4.0623 -4.0623 -4.0177 -4.0177 -3.9779 -3.9779 -3.7810 -3.7810 -3.6566 -3.6566 -3.6083 -3.6083 -3.4501 -3.4501 -3.3325 -3.3325 -3.3292 -3.3292 -3.2453 -3.2453 -3.0531 -3.0531 -3.0149 -3.0149 -2.9984 -2.9984 -2.9139 -2.9139 -2.8875 -2.8875 -2.8452 -2.8452 -2.8280 -2.8280 -2.7862 -2.7862 -2.7492 -2.7492 k = 0.5260 0.3799 0.4155 ( 11159 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7492 -18.7492 -18.4065 -18.4065 -18.3290 -18.3290 -18.3283 -18.3283 -18.2146 -18.2146 -18.1998 -18.1998 -15.7522 -15.7522 -15.7272 -15.7272 -4.7969 -4.7969 -4.3569 -4.3569 -4.2344 -4.2344 -4.1534 -4.1534 -4.0852 -4.0852 -4.0623 -4.0623 -4.0177 -4.0177 -3.9779 -3.9779 -3.7810 -3.7810 -3.6566 -3.6566 -3.6083 -3.6083 -3.4501 -3.4501 -3.3325 -3.3325 -3.3292 -3.3292 -3.2453 -3.2453 -3.0531 -3.0531 -3.0149 -3.0149 -2.9984 -2.9984 -2.9139 -2.9139 -2.8875 -2.8875 -2.8452 -2.8452 -2.8280 -2.8280 -2.7862 -2.7862 -2.7492 -2.7492 k = 0.5173 0.3736 0.4298 ( 11154 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7488 -18.7488 -18.4069 -18.4069 -18.3288 -18.3288 -18.3280 -18.3280 -18.2150 -18.2150 -18.2000 -18.2000 -15.7521 -15.7521 -15.7275 -15.7275 -4.7937 -4.7937 -4.3518 -4.3518 -4.2283 -4.2283 -4.1533 -4.1533 -4.0773 -4.0773 -4.0625 -4.0625 -4.0286 -4.0286 -3.9797 -3.9797 -3.7919 -3.7919 -3.6450 -3.6450 -3.6074 -3.6074 -3.4571 -3.4571 -3.3357 -3.3357 -3.3314 -3.3314 -3.2446 -3.2446 -3.0539 -3.0539 -3.0127 -3.0127 -2.9967 -2.9967 -2.9102 -2.9102 -2.8919 -2.8919 -2.8440 -2.8440 -2.8321 -2.8321 -2.7812 -2.7812 -2.7545 -2.7545 k = 0.5087 0.3674 0.4442 ( 11141 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7485 -18.7485 -18.4071 -18.4071 -18.3287 -18.3287 -18.3278 -18.3278 -18.2153 -18.2153 -18.2000 -18.2000 -15.7521 -15.7521 -15.7277 -15.7277 -4.7918 -4.7918 -4.3486 -4.3486 -4.2244 -4.2244 -4.1532 -4.1532 -4.0697 -4.0697 -4.0627 -4.0627 -4.0385 -4.0385 -3.9805 -3.9805 -3.7986 -3.7986 -3.6380 -3.6380 -3.6063 -3.6063 -3.4620 -3.4620 -3.3379 -3.3379 -3.3326 -3.3326 -3.2442 -3.2442 -3.0545 -3.0545 -3.0113 -3.0113 -2.9955 -2.9955 -2.9064 -2.9064 -2.8960 -2.8960 -2.8428 -2.8428 -2.8351 -2.8351 -2.7765 -2.7765 -2.7593 -2.7593 k = 0.5000 0.3611 0.4586 ( 11136 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7484 -18.7484 -18.4071 -18.4071 -18.3287 -18.3287 -18.3278 -18.3278 -18.2154 -18.2154 -18.2001 -18.2001 -15.7520 -15.7520 -15.7277 -15.7277 -4.7911 -4.7911 -4.3475 -4.3475 -4.2231 -4.2231 -4.1532 -4.1532 -4.0654 -4.0654 -4.0629 -4.0629 -4.0433 -4.0433 -3.9807 -3.9807 -3.8009 -3.8009 -3.6356 -3.6356 -3.6057 -3.6057 -3.4638 -3.4638 -3.3386 -3.3386 -3.3329 -3.3329 -3.2441 -3.2441 -3.0547 -3.0547 -3.0109 -3.0109 -2.9951 -2.9951 -2.9041 -2.9041 -2.8985 -2.8985 -2.8421 -2.8421 -2.8365 -2.8365 -2.7741 -2.7741 -2.7617 -2.7617 k = 0.5000 0.3611 0.4586 ( 11136 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7484 -18.7484 -18.4071 -18.4071 -18.3287 -18.3287 -18.3278 -18.3278 -18.2154 -18.2154 -18.2001 -18.2001 -15.7520 -15.7520 -15.7277 -15.7277 -4.7911 -4.7911 -4.3475 -4.3475 -4.2231 -4.2231 -4.1532 -4.1532 -4.0654 -4.0654 -4.0629 -4.0629 -4.0433 -4.0433 -3.9807 -3.9807 -3.8009 -3.8009 -3.6356 -3.6356 -3.6057 -3.6057 -3.4638 -3.4638 -3.3386 -3.3386 -3.3329 -3.3329 -3.2441 -3.2441 -3.0547 -3.0547 -3.0109 -3.0109 -2.9951 -2.9951 -2.9041 -2.9041 -2.8985 -2.8985 -2.8421 -2.8421 -2.8365 -2.8365 -2.7741 -2.7741 -2.7617 -2.7617 k = 0.5111 0.3457 0.4586 ( 11148 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7484 -18.7484 -18.4071 -18.4071 -18.3287 -18.3287 -18.3278 -18.3278 -18.2154 -18.2154 -18.2000 -18.2000 -15.7520 -15.7520 -15.7278 -15.7278 -4.7912 -4.7912 -4.3480 -4.3480 -4.2233 -4.2233 -4.1523 -4.1523 -4.0690 -4.0690 -4.0596 -4.0596 -4.0431 -4.0431 -3.9812 -3.9812 -3.8041 -3.8041 -3.6340 -3.6340 -3.6061 -3.6061 -3.4621 -3.4621 -3.3395 -3.3395 -3.3329 -3.3329 -3.2429 -3.2429 -3.0546 -3.0546 -3.0111 -3.0111 -2.9950 -2.9950 -2.9047 -2.9047 -2.8982 -2.8982 -2.8508 -2.8508 -2.8277 -2.8277 -2.7738 -2.7738 -2.7616 -2.7616 k = 0.5223 0.3302 0.4586 ( 11144 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7486 -18.7486 -18.4069 -18.4069 -18.3289 -18.3289 -18.3279 -18.3279 -18.2154 -18.2154 -18.1998 -18.1998 -15.7517 -15.7517 -15.7279 -15.7279 -4.7913 -4.7913 -4.3491 -4.3491 -4.2239 -4.2239 -4.1497 -4.1497 -4.0737 -4.0737 -4.0556 -4.0556 -4.0422 -4.0422 -3.9828 -3.9828 -3.8129 -3.8129 -3.6312 -3.6312 -3.6054 -3.6054 -3.4572 -3.4572 -3.3423 -3.3423 -3.3325 -3.3325 -3.2395 -3.2395 -3.0543 -3.0543 -3.0116 -3.0116 -2.9945 -2.9945 -2.9065 -2.9065 -2.8975 -2.8975 -2.8614 -2.8614 -2.8166 -2.8166 -2.7730 -2.7730 -2.7615 -2.7615 k = 0.5334 0.3148 0.4586 ( 11138 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7488 -18.7488 -18.4066 -18.4066 -18.3291 -18.3291 -18.3281 -18.3281 -18.2155 -18.2155 -18.1994 -18.1994 -15.7513 -15.7513 -15.7282 -15.7282 -4.7915 -4.7915 -4.3510 -4.3510 -4.2251 -4.2251 -4.1454 -4.1454 -4.0786 -4.0786 -4.0516 -4.0516 -4.0407 -4.0407 -3.9853 -3.9853 -3.8261 -3.8261 -3.6324 -3.6324 -3.5995 -3.5995 -3.4497 -3.4497 -3.3466 -3.3466 -3.3316 -3.3316 -3.2342 -3.2342 -3.0539 -3.0539 -3.0126 -3.0126 -2.9938 -2.9938 -2.9092 -2.9092 -2.8967 -2.8967 -2.8712 -2.8712 -2.8056 -2.8056 -2.7716 -2.7716 -2.7612 -2.7612 k = 0.5446 0.2994 0.4586 ( 11142 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7492 -18.7492 -18.4062 -18.4062 -18.3293 -18.3293 -18.3284 -18.3284 -18.2156 -18.2156 -18.1989 -18.1989 -15.7507 -15.7507 -15.7285 -15.7285 -4.7919 -4.7919 -4.3534 -4.3534 -4.2270 -4.2270 -4.1400 -4.1400 -4.0834 -4.0834 -4.0477 -4.0477 -4.0385 -4.0385 -3.9888 -3.9888 -3.8422 -3.8422 -3.6384 -3.6384 -3.5880 -3.5880 -3.4405 -3.4405 -3.3522 -3.3522 -3.3303 -3.3303 -3.2275 -3.2275 -3.0534 -3.0534 -3.0139 -3.0139 -2.9928 -2.9928 -2.9132 -2.9132 -2.8966 -2.8966 -2.8790 -2.8790 -2.7949 -2.7949 -2.7701 -2.7701 -2.7607 -2.7607 k = 0.5557 0.2839 0.4586 ( 11148 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7496 -18.7496 -18.4056 -18.4056 -18.3297 -18.3297 -18.3287 -18.3287 -18.2157 -18.2157 -18.1983 -18.1983 -15.7500 -15.7500 -15.7289 -15.7289 -4.7924 -4.7924 -4.3562 -4.3562 -4.2298 -4.2298 -4.1336 -4.1336 -4.0879 -4.0879 -4.0438 -4.0438 -4.0354 -4.0354 -3.9932 -3.9932 -3.8602 -3.8602 -3.6471 -3.6471 -3.5736 -3.5736 -3.4303 -3.4303 -3.3586 -3.3586 -3.3286 -3.3286 -3.2196 -3.2196 -3.0529 -3.0529 -3.0157 -3.0157 -2.9917 -2.9917 -2.9185 -2.9185 -2.8982 -2.8982 -2.8830 -2.8830 -2.7847 -2.7847 -2.7684 -2.7684 -2.7597 -2.7597 k = 0.5669 0.2685 0.4586 ( 11146 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7502 -18.7502 -18.4050 -18.4050 -18.3301 -18.3301 -18.3291 -18.3291 -18.2158 -18.2158 -18.1975 -18.1975 -15.7491 -15.7491 -15.7294 -15.7294 -4.7931 -4.7931 -4.3594 -4.3594 -4.2339 -4.2339 -4.1268 -4.1268 -4.0919 -4.0919 -4.0397 -4.0397 -4.0314 -4.0314 -3.9981 -3.9981 -3.8793 -3.8793 -3.6571 -3.6571 -3.5580 -3.5580 -3.4201 -3.4201 -3.3649 -3.3649 -3.3265 -3.3265 -3.2110 -3.2110 -3.0525 -3.0525 -3.0179 -3.0179 -2.9904 -2.9904 -2.9255 -2.9255 -2.9010 -2.9010 -2.8829 -2.8829 -2.7754 -2.7754 -2.7664 -2.7664 -2.7582 -2.7582 k = 0.5780 0.2530 0.4586 ( 11148 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7509 -18.7509 -18.4042 -18.4042 -18.3306 -18.3306 -18.3296 -18.3296 -18.2159 -18.2159 -18.1966 -18.1966 -15.7481 -15.7481 -15.7300 -15.7300 -4.7941 -4.7941 -4.3627 -4.3627 -4.2393 -4.2393 -4.1201 -4.1201 -4.0950 -4.0950 -4.0353 -4.0353 -4.0269 -4.0269 -4.0029 -4.0029 -3.8989 -3.8989 -3.6678 -3.6678 -3.5420 -3.5420 -3.4118 -3.4118 -3.3698 -3.3698 -3.3239 -3.3239 -3.2017 -3.2017 -3.0524 -3.0524 -3.0205 -3.0205 -2.9891 -2.9891 -2.9338 -2.9338 -2.9031 -2.9031 -2.8807 -2.8807 -2.7697 -2.7697 -2.7618 -2.7618 -2.7560 -2.7560 k = 0.5892 0.2376 0.4586 ( 11148 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7516 -18.7516 -18.4034 -18.4034 -18.3311 -18.3311 -18.3300 -18.3300 -18.2161 -18.2161 -18.1957 -18.1957 -15.7469 -15.7469 -15.7306 -15.7306 -4.7953 -4.7953 -4.3662 -4.3662 -4.2462 -4.2462 -4.1140 -4.1140 -4.0971 -4.0971 -4.0305 -4.0305 -4.0239 -4.0239 -4.0053 -4.0053 -3.9184 -3.9184 -3.6788 -3.6788 -3.5260 -3.5260 -3.4087 -3.4087 -3.3701 -3.3701 -3.3211 -3.3211 -3.1922 -3.1922 -3.0527 -3.0527 -3.0234 -3.0234 -2.9878 -2.9878 -2.9425 -2.9425 -2.9038 -2.9038 -2.8774 -2.8774 -2.7682 -2.7682 -2.7555 -2.7555 -2.7518 -2.7518 k = 0.6003 0.2222 0.4586 ( 11148 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7525 -18.7525 -18.4024 -18.4024 -18.3317 -18.3317 -18.3305 -18.3305 -18.2163 -18.2163 -18.1946 -18.1946 -15.7456 -15.7456 -15.7314 -15.7314 -4.7969 -4.7969 -4.3699 -4.3699 -4.2547 -4.2547 -4.1089 -4.1089 -4.0982 -4.0982 -4.0274 -4.0274 -4.0242 -4.0242 -4.0016 -4.0016 -3.9370 -3.9370 -3.6898 -3.6898 -3.5103 -3.5103 -3.4128 -3.4128 -3.3639 -3.3639 -3.3179 -3.3179 -3.1824 -3.1824 -3.0538 -3.0538 -3.0264 -3.0264 -2.9866 -2.9866 -2.9510 -2.9510 -2.9031 -2.9031 -2.8735 -2.8735 -2.7678 -2.7678 -2.7521 -2.7521 -2.7440 -2.7440 k = 0.6115 0.2067 0.4586 ( 11144 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7534 -18.7534 -18.4014 -18.4014 -18.3323 -18.3323 -18.3310 -18.3310 -18.2164 -18.2164 -18.1935 -18.1935 -15.7441 -15.7441 -15.7322 -15.7322 -4.7988 -4.7988 -4.3738 -4.3738 -4.2645 -4.2645 -4.1051 -4.1051 -4.0982 -4.0982 -4.0329 -4.0329 -4.0190 -4.0190 -3.9947 -3.9947 -3.9528 -3.9528 -3.7009 -3.7009 -3.4953 -3.4953 -3.4214 -3.4214 -3.3539 -3.3539 -3.3144 -3.3144 -3.1727 -3.1727 -3.0556 -3.0556 -3.0295 -3.0295 -2.9857 -2.9857 -2.9587 -2.9587 -2.9009 -2.9009 -2.8691 -2.8691 -2.7677 -2.7677 -2.7493 -2.7493 -2.7358 -2.7358 k = 0.6226 0.1913 0.4586 ( 11148 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7545 -18.7545 -18.4004 -18.4004 -18.3330 -18.3330 -18.3315 -18.3315 -18.2166 -18.2166 -18.1923 -18.1923 -15.7426 -15.7426 -15.7331 -15.7331 -4.8012 -4.8012 -4.3779 -4.3779 -4.2757 -4.2757 -4.1035 -4.1035 -4.0970 -4.0970 -4.0402 -4.0402 -4.0125 -4.0125 -3.9935 -3.9935 -3.9589 -3.9589 -3.7117 -3.7117 -3.4814 -3.4814 -3.4319 -3.4319 -3.3426 -3.3426 -3.3108 -3.3108 -3.1632 -3.1632 -3.0583 -3.0583 -3.0326 -3.0326 -2.9852 -2.9852 -2.9650 -2.9650 -2.8974 -2.8974 -2.8643 -2.8643 -2.7677 -2.7677 -2.7467 -2.7467 -2.7280 -2.7280 k = 0.6338 0.1759 0.4586 ( 11144 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7556 -18.7556 -18.3992 -18.3992 -18.3337 -18.3337 -18.3320 -18.3320 -18.2167 -18.2167 -18.1910 -18.1910 -15.7409 -15.7409 -15.7341 -15.7341 -4.8041 -4.8041 -4.3823 -4.3823 -4.2878 -4.2878 -4.1046 -4.1046 -4.0946 -4.0946 -4.0477 -4.0477 -4.0061 -4.0061 -4.0023 -4.0023 -3.9505 -3.9505 -3.7224 -3.7224 -3.4706 -3.4706 -3.4414 -3.4414 -3.3311 -3.3311 -3.3070 -3.3070 -3.1542 -3.1542 -3.0615 -3.0615 -3.0358 -3.0358 -2.9853 -2.9853 -2.9695 -2.9695 -2.8926 -2.8926 -2.8591 -2.8591 -2.7678 -2.7678 -2.7443 -2.7443 -2.7206 -2.7206 k = 0.3662-0.5071 0.5017 ( 11144 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7556 -18.7556 -18.3992 -18.3992 -18.3337 -18.3337 -18.3320 -18.3320 -18.2167 -18.2167 -18.1910 -18.1910 -15.7409 -15.7409 -15.7341 -15.7341 -4.8041 -4.8041 -4.3823 -4.3823 -4.2878 -4.2878 -4.1046 -4.1046 -4.0946 -4.0946 -4.0477 -4.0477 -4.0061 -4.0061 -4.0023 -4.0023 -3.9505 -3.9505 -3.7224 -3.7224 -3.4706 -3.4706 -3.4414 -3.4414 -3.3311 -3.3311 -3.3070 -3.3070 -3.1542 -3.1542 -3.0615 -3.0615 -3.0358 -3.0358 -2.9853 -2.9853 -2.9695 -2.9695 -2.8926 -2.8926 -2.8591 -2.8591 -2.7678 -2.7678 -2.7443 -2.7443 -2.7206 -2.7206 k = 0.3551-0.4917 0.5017 ( 11138 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7568 -18.7568 -18.3981 -18.3981 -18.3345 -18.3345 -18.3325 -18.3325 -18.2168 -18.2168 -18.1897 -18.1897 -15.7391 -15.7391 -15.7351 -15.7351 -4.8075 -4.8075 -4.3872 -4.3872 -4.3007 -4.3007 -4.1082 -4.1082 -4.0919 -4.0919 -4.0551 -4.0551 -4.0156 -4.0156 -3.9965 -3.9965 -3.9356 -3.9356 -3.7327 -3.7327 -3.4707 -3.4707 -3.4418 -3.4418 -3.3202 -3.3202 -3.3029 -3.3029 -3.1461 -3.1461 -3.0648 -3.0648 -3.0390 -3.0390 -2.9861 -2.9861 -2.9720 -2.9720 -2.8869 -2.8869 -2.8537 -2.8537 -2.7680 -2.7680 -2.7421 -2.7421 -2.7136 -2.7136 k = 0.3440-0.4763 0.5017 ( 11142 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7582 -18.7582 -18.3970 -18.3970 -18.3352 -18.3352 -18.3329 -18.3329 -18.2170 -18.2170 -18.1884 -18.1884 -15.7372 -15.7372 -15.7362 -15.7362 -4.8115 -4.8115 -4.3926 -4.3926 -4.3141 -4.3141 -4.1147 -4.1147 -4.0891 -4.0891 -4.0633 -4.0633 -4.0247 -4.0247 -3.9872 -3.9872 -3.9183 -3.9183 -3.7426 -3.7426 -3.4824 -3.4824 -3.4322 -3.4322 -3.3109 -3.3109 -3.2977 -3.2977 -3.1392 -3.1392 -3.0677 -3.0677 -3.0423 -3.0423 -2.9872 -2.9872 -2.9729 -2.9729 -2.8802 -2.8802 -2.8480 -2.8480 -2.7681 -2.7681 -2.7401 -2.7401 -2.7072 -2.7072 k = 0.3329-0.4610 0.5017 ( 11140 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7596 -18.7596 -18.3959 -18.3959 -18.3360 -18.3360 -18.3332 -18.3332 -18.2171 -18.2171 -18.1870 -18.1870 -15.7373 -15.7373 -15.7352 -15.7352 -4.8160 -4.8160 -4.3986 -4.3986 -4.3278 -4.3278 -4.1238 -4.1238 -4.0872 -4.0872 -4.0729 -4.0729 -4.0288 -4.0288 -3.9767 -3.9767 -3.8996 -3.8996 -3.7522 -3.7522 -3.4977 -3.4977 -3.4203 -3.4203 -3.3049 -3.3049 -3.2899 -3.2899 -3.1340 -3.1340 -3.0699 -3.0699 -3.0451 -3.0451 -2.9881 -2.9881 -2.9730 -2.9730 -2.8728 -2.8728 -2.8421 -2.8421 -2.7681 -2.7681 -2.7383 -2.7383 -2.7013 -2.7013 k = 0.3218-0.4456 0.5017 ( 11156 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7611 -18.7611 -18.3948 -18.3948 -18.3367 -18.3367 -18.3335 -18.3335 -18.2171 -18.2171 -18.1856 -18.1856 -15.7385 -15.7385 -15.7331 -15.7331 -4.8211 -4.8211 -4.4054 -4.4054 -4.3416 -4.3416 -4.1347 -4.1347 -4.0904 -4.0904 -4.0793 -4.0793 -4.0283 -4.0283 -3.9650 -3.9650 -3.8801 -3.8801 -3.7615 -3.7615 -3.5144 -3.5144 -3.4082 -3.4082 -3.3019 -3.3019 -3.2802 -3.2802 -3.1309 -3.1309 -3.0711 -3.0711 -3.0469 -3.0469 -2.9885 -2.9885 -2.9725 -2.9725 -2.8650 -2.8650 -2.8361 -2.8361 -2.7681 -2.7681 -2.7368 -2.7368 -2.6959 -2.6959 k = 0.3107-0.4302 0.5017 ( 11150 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7626 -18.7626 -18.3938 -18.3938 -18.3373 -18.3373 -18.3337 -18.3337 -18.2172 -18.2172 -18.1843 -18.1843 -15.7397 -15.7397 -15.7310 -15.7310 -4.8268 -4.8268 -4.4130 -4.4130 -4.3553 -4.3553 -4.1467 -4.1467 -4.1018 -4.1018 -4.0786 -4.0786 -4.0244 -4.0244 -3.9521 -3.9521 -3.8601 -3.8601 -3.7702 -3.7702 -3.5321 -3.5321 -3.3964 -3.3964 -3.3004 -3.3004 -3.2698 -3.2698 -3.1299 -3.1299 -3.0717 -3.0717 -3.0470 -3.0470 -2.9885 -2.9885 -2.9718 -2.9718 -2.8567 -2.8567 -2.8299 -2.8299 -2.7680 -2.7680 -2.7355 -2.7355 -2.6910 -2.6910 k = 0.2996-0.4149 0.5017 ( 11144 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7643 -18.7643 -18.3928 -18.3928 -18.3379 -18.3379 -18.3339 -18.3339 -18.2172 -18.2172 -18.1829 -18.1829 -15.7410 -15.7410 -15.7288 -15.7288 -4.8331 -4.8331 -4.4215 -4.4215 -4.3687 -4.3687 -4.1593 -4.1593 -4.1148 -4.1148 -4.0769 -4.0769 -4.0180 -4.0180 -3.9380 -3.9380 -3.8400 -3.8400 -3.7783 -3.7783 -3.5503 -3.5503 -3.3849 -3.3849 -3.2998 -3.2998 -3.2595 -3.2595 -3.1308 -3.1308 -3.0724 -3.0724 -3.0450 -3.0450 -2.9882 -2.9882 -2.9709 -2.9709 -2.8482 -2.8482 -2.8237 -2.8237 -2.7678 -2.7678 -2.7344 -2.7344 -2.6865 -2.6865 k = 0.2885-0.3995 0.5017 ( 11130 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7660 -18.7660 -18.3920 -18.3920 -18.3384 -18.3384 -18.3340 -18.3340 -18.2172 -18.2172 -18.1815 -18.1815 -15.7423 -15.7423 -15.7266 -15.7266 -4.8400 -4.8400 -4.4309 -4.4309 -4.3817 -4.3817 -4.1720 -4.1720 -4.1281 -4.1281 -4.0754 -4.0754 -4.0097 -4.0097 -3.9229 -3.9229 -3.8209 -3.8209 -3.7849 -3.7849 -3.5689 -3.5689 -3.3741 -3.3741 -3.2997 -3.2997 -3.2494 -3.2494 -3.1329 -3.1329 -3.0734 -3.0734 -3.0412 -3.0412 -2.9877 -2.9877 -2.9697 -2.9697 -2.8397 -2.8397 -2.8174 -2.8174 -2.7674 -2.7674 -2.7337 -2.7337 -2.6824 -2.6824 k = 0.2774-0.3841 0.5017 ( 11120 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7677 -18.7677 -18.3913 -18.3913 -18.3387 -18.3387 -18.3340 -18.3340 -18.2172 -18.2172 -18.1802 -18.1802 -15.7437 -15.7437 -15.7243 -15.7243 -4.8475 -4.8475 -4.4411 -4.4411 -4.3942 -4.3942 -4.1846 -4.1846 -4.1412 -4.1412 -4.0745 -4.0745 -3.9998 -3.9998 -3.9068 -3.9068 -3.8075 -3.8075 -3.7856 -3.7856 -3.5875 -3.5875 -3.3645 -3.3645 -3.2997 -3.2997 -3.2395 -3.2395 -3.1356 -3.1356 -3.0746 -3.0746 -3.0363 -3.0363 -2.9872 -2.9872 -2.9681 -2.9681 -2.8313 -2.8313 -2.8112 -2.8112 -2.7670 -2.7670 -2.7332 -2.7332 -2.6786 -2.6786 k = 0.2663-0.3688 0.5017 ( 11124 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7695 -18.7695 -18.3908 -18.3908 -18.3389 -18.3389 -18.3339 -18.3339 -18.2172 -18.2172 -18.1789 -18.1789 -15.7450 -15.7450 -15.7220 -15.7220 -4.8554 -4.8554 -4.4522 -4.4522 -4.4062 -4.4062 -4.1969 -4.1969 -4.1540 -4.1540 -4.0743 -4.0743 -3.9883 -3.9883 -3.8900 -3.8900 -3.8081 -3.8081 -3.7720 -3.7720 -3.6059 -3.6059 -3.3566 -3.3566 -3.2987 -3.2987 -3.2298 -3.2298 -3.1387 -3.1387 -3.0757 -3.0757 -3.0312 -3.0312 -2.9868 -2.9868 -2.9660 -2.9660 -2.8232 -2.8232 -2.8050 -2.8050 -2.7663 -2.7663 -2.7330 -2.7330 -2.6752 -2.6752 k = 0.2552-0.3534 0.5017 ( 11124 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7714 -18.7714 -18.3904 -18.3904 -18.3389 -18.3389 -18.3338 -18.3338 -18.2171 -18.2171 -18.1776 -18.1776 -15.7464 -15.7464 -15.7196 -15.7196 -4.8638 -4.8638 -4.4639 -4.4639 -4.4175 -4.4175 -4.2087 -4.2087 -4.1665 -4.1665 -4.0750 -4.0750 -3.9754 -3.9754 -3.8727 -3.8727 -3.8137 -3.8137 -3.7534 -3.7534 -3.6237 -3.6237 -3.3514 -3.3514 -3.2959 -3.2959 -3.2204 -3.2204 -3.1418 -3.1418 -3.0768 -3.0768 -3.0265 -3.0265 -2.9867 -2.9867 -2.9631 -2.9631 -2.8154 -2.8154 -2.7988 -2.7988 -2.7655 -2.7655 -2.7331 -2.7331 -2.6721 -2.6721 k = 0.2441-0.3380 0.5017 ( 11112 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7733 -18.7733 -18.3903 -18.3903 -18.3388 -18.3388 -18.3336 -18.3336 -18.2170 -18.2170 -18.1763 -18.1763 -15.7477 -15.7477 -15.7173 -15.7173 -4.8726 -4.8726 -4.4763 -4.4763 -4.4281 -4.4281 -4.2201 -4.2201 -4.1786 -4.1786 -4.0767 -4.0767 -3.9611 -3.9611 -3.8554 -3.8554 -3.8198 -3.8198 -3.7344 -3.7344 -3.6404 -3.6404 -3.3493 -3.3493 -3.2905 -3.2905 -3.2112 -3.2112 -3.1447 -3.1447 -3.0778 -3.0778 -3.0224 -3.0224 -2.9869 -2.9869 -2.9594 -2.9594 -2.8081 -2.8081 -2.7928 -2.7928 -2.7645 -2.7645 -2.7334 -2.7334 -2.6692 -2.6692 k = 0.2330-0.3227 0.5017 ( 11114 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7752 -18.7752 -18.3903 -18.3903 -18.3385 -18.3385 -18.3333 -18.3333 -18.2169 -18.2169 -18.1751 -18.1751 -15.7491 -15.7491 -15.7150 -15.7150 -4.8817 -4.8817 -4.4891 -4.4891 -4.4378 -4.4378 -4.2309 -4.2309 -4.1903 -4.1903 -4.0795 -4.0795 -3.9456 -3.9456 -3.8398 -3.8398 -3.8244 -3.8244 -3.7158 -3.7158 -3.6554 -3.6554 -3.3500 -3.3500 -3.2828 -3.2828 -3.2023 -3.2023 -3.1474 -3.1474 -3.0789 -3.0789 -3.0193 -3.0193 -2.9876 -2.9876 -2.9547 -2.9547 -2.8014 -2.8014 -2.7869 -2.7869 -2.7634 -2.7634 -2.7340 -2.7340 -2.6665 -2.6665 k = 0.2219-0.3073 0.5017 ( 11120 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7771 -18.7771 -18.3906 -18.3906 -18.3380 -18.3380 -18.3330 -18.3330 -18.2168 -18.2168 -18.1740 -18.1740 -15.7505 -15.7505 -15.7127 -15.7127 -4.8911 -4.8911 -4.5023 -4.5023 -4.4467 -4.4467 -4.2413 -4.2413 -4.2016 -4.2016 -4.0835 -4.0835 -3.9289 -3.9289 -3.8362 -3.8362 -3.8177 -3.8177 -3.6984 -3.6984 -3.6675 -3.6675 -3.3526 -3.3526 -3.2733 -3.2733 -3.1937 -3.1937 -3.1497 -3.1497 -3.0801 -3.0801 -3.0171 -3.0171 -2.9887 -2.9887 -2.9492 -2.9492 -2.7954 -2.7954 -2.7811 -2.7811 -2.7622 -2.7622 -2.7348 -2.7348 -2.6640 -2.6640 k = 0.2108-0.2919 0.5017 ( 11132 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7790 -18.7790 -18.3910 -18.3910 -18.3373 -18.3373 -18.3326 -18.3326 -18.2167 -18.2167 -18.1728 -18.1728 -15.7518 -15.7518 -15.7104 -15.7104 -4.9007 -4.9007 -4.5157 -4.5157 -4.4546 -4.4546 -4.2513 -4.2513 -4.2123 -4.2123 -4.0889 -4.0889 -3.9112 -3.9112 -3.8412 -3.8412 -3.8040 -3.8040 -3.6860 -3.6860 -3.6722 -3.6722 -3.3562 -3.3562 -3.2630 -3.2630 -3.1854 -3.1854 -3.1515 -3.1515 -3.0815 -3.0815 -3.0160 -3.0160 -2.9902 -2.9902 -2.9432 -2.9432 -2.7903 -2.7903 -2.7756 -2.7756 -2.7608 -2.7608 -2.7357 -2.7357 -2.6615 -2.6615 k = 0.1997-0.2766 0.5017 ( 11134 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7809 -18.7809 -18.3915 -18.3915 -18.3365 -18.3365 -18.3322 -18.3322 -18.2165 -18.2165 -18.1718 -18.1718 -15.7531 -15.7531 -15.7081 -15.7081 -4.9104 -4.9104 -4.5292 -4.5292 -4.4614 -4.4614 -4.2607 -4.2607 -4.2225 -4.2225 -4.0957 -4.0957 -3.8926 -3.8926 -3.8470 -3.8470 -3.7924 -3.7924 -3.6856 -3.6856 -3.6612 -3.6612 -3.3602 -3.3602 -3.2524 -3.2524 -3.1776 -3.1776 -3.1526 -3.1526 -3.0831 -3.0831 -3.0158 -3.0158 -2.9919 -2.9919 -2.9367 -2.9367 -2.7860 -2.7860 -2.7704 -2.7704 -2.7595 -2.7595 -2.7365 -2.7365 -2.6590 -2.6590 k = 0.1887-0.2612 0.5017 ( 11120 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7827 -18.7827 -18.3923 -18.3923 -18.3356 -18.3356 -18.3317 -18.3317 -18.2163 -18.2163 -18.1707 -18.1707 -15.7544 -15.7544 -15.7059 -15.7059 -4.9200 -4.9200 -4.5427 -4.5427 -4.4673 -4.4673 -4.2698 -4.2698 -4.2320 -4.2320 -4.1040 -4.1040 -3.8735 -3.8735 -3.8526 -3.8526 -3.7849 -3.7849 -3.6833 -3.6833 -3.6471 -3.6471 -3.3641 -3.3641 -3.2417 -3.2417 -3.1705 -3.1705 -3.1529 -3.1529 -3.0848 -3.0848 -3.0165 -3.0165 -2.9937 -2.9937 -2.9299 -2.9299 -2.7825 -2.7825 -2.7657 -2.7657 -2.7581 -2.7581 -2.7370 -2.7370 -2.6566 -2.6566 k = 0.1776-0.2458 0.5017 ( 11122 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7846 -18.7846 -18.3931 -18.3931 -18.3346 -18.3346 -18.3312 -18.3312 -18.2162 -18.2162 -18.1698 -18.1698 -15.7557 -15.7557 -15.7038 -15.7038 -4.9297 -4.9297 -4.5560 -4.5560 -4.4721 -4.4721 -4.2785 -4.2785 -4.2410 -4.2410 -4.1137 -4.1137 -3.8604 -3.8604 -3.8517 -3.8517 -3.7817 -3.7817 -3.6753 -3.6753 -3.6338 -3.6338 -3.3675 -3.3675 -3.2316 -3.2316 -3.1648 -3.1648 -3.1515 -3.1515 -3.0866 -3.0866 -3.0181 -3.0181 -2.9956 -2.9956 -2.9232 -2.9232 -2.7800 -2.7800 -2.7622 -2.7622 -2.7565 -2.7565 -2.7370 -2.7370 -2.6541 -2.6541 k = 0.1665-0.2305 0.5017 ( 11116 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7864 -18.7864 -18.3940 -18.3940 -18.3335 -18.3335 -18.3306 -18.3306 -18.2160 -18.2160 -18.1688 -18.1688 -15.7569 -15.7569 -15.7017 -15.7017 -4.9392 -4.9392 -4.5690 -4.5690 -4.4758 -4.4758 -4.2868 -4.2868 -4.2494 -4.2494 -4.1249 -4.1249 -3.8649 -3.8649 -3.8335 -3.8335 -3.7806 -3.7806 -3.6626 -3.6626 -3.6220 -3.6220 -3.3703 -3.3703 -3.2222 -3.2222 -3.1614 -3.1614 -3.1477 -3.1477 -3.0883 -3.0883 -3.0207 -3.0207 -2.9972 -2.9972 -2.9166 -2.9166 -2.7782 -2.7782 -2.7609 -2.7609 -2.7538 -2.7538 -2.7362 -2.7362 -2.6517 -2.6517 k = 0.1554-0.2151 0.5017 ( 11106 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8211 -40.8211 -40.8166 -40.8166 -18.7881 -18.7881 -18.3950 -18.3950 -18.3323 -18.3323 -18.3301 -18.3301 -18.2158 -18.2158 -18.1680 -18.1680 -15.7581 -15.7581 -15.6998 -15.6998 -4.9484 -4.9484 -4.5816 -4.5816 -4.4785 -4.4785 -4.2948 -4.2948 -4.2572 -4.2572 -4.1373 -4.1373 -3.8702 -3.8702 -3.8167 -3.8167 -3.7780 -3.7780 -3.6471 -3.6471 -3.6118 -3.6118 -3.3724 -3.3724 -3.2138 -3.2138 -3.1598 -3.1598 -3.1421 -3.1421 -3.0896 -3.0896 -3.0242 -3.0242 -2.9987 -2.9987 -2.9103 -2.9103 -2.7775 -2.7775 -2.7611 -2.7611 -2.7505 -2.7505 -2.7348 -2.7348 -2.6492 -2.6492 k = 0.1443-0.1997 0.5017 ( 11100 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8211 -40.8211 -40.8166 -40.8166 -18.7898 -18.7898 -18.3960 -18.3960 -18.3312 -18.3312 -18.3295 -18.3295 -18.2156 -18.2156 -18.1672 -18.1672 -15.7593 -15.7593 -15.6979 -15.6979 -4.9574 -4.9574 -4.5938 -4.5938 -4.4801 -4.4801 -4.3023 -4.3023 -4.2643 -4.2643 -4.1510 -4.1510 -3.8754 -3.8754 -3.8068 -3.8068 -3.7684 -3.7684 -3.6302 -3.6302 -3.6032 -3.6032 -3.3736 -3.3736 -3.2070 -3.2070 -3.1587 -3.1587 -3.1359 -3.1359 -3.0903 -3.0903 -3.0286 -3.0286 -2.9998 -2.9998 -2.9042 -2.9042 -2.7781 -2.7781 -2.7616 -2.7616 -2.7471 -2.7471 -2.7329 -2.7329 -2.6467 -2.6467 k = 0.1332-0.1844 0.5017 ( 11092 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8211 -40.8211 -40.8166 -40.8166 -18.7914 -18.7914 -18.3970 -18.3970 -18.3300 -18.3300 -18.3289 -18.3289 -18.2155 -18.2155 -18.1664 -18.1664 -15.7603 -15.7603 -15.6961 -15.6961 -4.9660 -4.9660 -4.6054 -4.6054 -4.4807 -4.4807 -4.3094 -4.3094 -4.2709 -4.2709 -4.1655 -4.1655 -3.8803 -3.8803 -3.8043 -3.8043 -3.7508 -3.7508 -3.6128 -3.6128 -3.5963 -3.5963 -3.3741 -3.3741 -3.2019 -3.2019 -3.1575 -3.1575 -3.1298 -3.1298 -3.0900 -3.0900 -3.0335 -3.0335 -3.0008 -3.0008 -2.8985 -2.8985 -2.7801 -2.7801 -2.7617 -2.7617 -2.7440 -2.7440 -2.7308 -2.7308 -2.6443 -2.6443 k = 0.1221-0.1690 0.5017 ( 11098 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8211 -40.8211 -40.8166 -40.8166 -18.7929 -18.7929 -18.3980 -18.3980 -18.3290 -18.3290 -18.3282 -18.3282 -18.2153 -18.2153 -18.1657 -18.1657 -15.7613 -15.7613 -15.6944 -15.6944 -4.9741 -4.9741 -4.6163 -4.6163 -4.4802 -4.4802 -4.3160 -4.3160 -4.2769 -4.2769 -4.1808 -4.1808 -3.8848 -3.8848 -3.8047 -3.8047 -3.7296 -3.7296 -3.5958 -3.5958 -3.5909 -3.5909 -3.3741 -3.3741 -3.1987 -3.1987 -3.1562 -3.1562 -3.1238 -3.1238 -3.0886 -3.0886 -3.0390 -3.0390 -3.0015 -3.0015 -2.8934 -2.8934 -2.7835 -2.7835 -2.7613 -2.7613 -2.7413 -2.7413 -2.7286 -2.7286 -2.6419 -2.6419 k = 0.1110-0.1537 0.5017 ( 11098 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8211 -40.8211 -40.8166 -40.8166 -18.7943 -18.7943 -18.3990 -18.3990 -18.3282 -18.3282 -18.3274 -18.3274 -18.2151 -18.2151 -18.1651 -18.1651 -15.7623 -15.7623 -15.6928 -15.6928 -4.9818 -4.9818 -4.6265 -4.6265 -4.4788 -4.4788 -4.3222 -4.3222 -4.2823 -4.2823 -4.1965 -4.1965 -3.8890 -3.8890 -3.8059 -3.8059 -3.7070 -3.7070 -3.5875 -3.5875 -3.5786 -3.5786 -3.3739 -3.3739 -3.1974 -3.1974 -3.1546 -3.1546 -3.1182 -3.1182 -3.0861 -3.0861 -3.0449 -3.0449 -3.0019 -3.0019 -2.8887 -2.8887 -2.7878 -2.7878 -2.7604 -2.7604 -2.7388 -2.7388 -2.7266 -2.7266 -2.6396 -2.6396 k = 0.0999-0.1383 0.5017 ( 11096 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8211 -40.8211 -40.8166 -40.8166 -18.7956 -18.7956 -18.3999 -18.3999 -18.3275 -18.3275 -18.3264 -18.3264 -18.2150 -18.2150 -18.1645 -18.1645 -15.7631 -15.7631 -15.6914 -15.6914 -4.9889 -4.9889 -4.6359 -4.6359 -4.4764 -4.4764 -4.3278 -4.3278 -4.2871 -4.2871 -4.2125 -4.2125 -3.8929 -3.8929 -3.8071 -3.8071 -3.6839 -3.6839 -3.5847 -3.5847 -3.5628 -3.5628 -3.3741 -3.3741 -3.1975 -3.1975 -3.1528 -3.1528 -3.1130 -3.1130 -3.0829 -3.0829 -3.0508 -3.0508 -3.0021 -3.0021 -2.8845 -2.8845 -2.7927 -2.7927 -2.7592 -2.7592 -2.7366 -2.7366 -2.7247 -2.7247 -2.6374 -2.6374 k = 0.0888-0.1229 0.5017 ( 11102 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8211 -40.8211 -40.8166 -40.8166 -18.7968 -18.7968 -18.4008 -18.4008 -18.3270 -18.3270 -18.3255 -18.3255 -18.2148 -18.2148 -18.1640 -18.1640 -15.7639 -15.7639 -15.6901 -15.6901 -4.9954 -4.9954 -4.6445 -4.6445 -4.4732 -4.4732 -4.3330 -4.3330 -4.2915 -4.2915 -4.2284 -4.2284 -3.8963 -3.8963 -3.8081 -3.8081 -3.6607 -3.6607 -3.5829 -3.5829 -3.5479 -3.5479 -3.3751 -3.3751 -3.1985 -3.1985 -3.1507 -3.1507 -3.1083 -3.1083 -3.0793 -3.0793 -3.0566 -3.0566 -3.0019 -3.0019 -2.8810 -2.8810 -2.7980 -2.7980 -2.7578 -2.7578 -2.7347 -2.7347 -2.7232 -2.7232 -2.6353 -2.6353 k = 0.0777-0.1076 0.5017 ( 11120 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7978 -18.7978 -18.4016 -18.4016 -18.3266 -18.3266 -18.3246 -18.3246 -18.2147 -18.2147 -18.1635 -18.1635 -15.7646 -15.7646 -15.6889 -15.6889 -5.0012 -5.0012 -4.6521 -4.6521 -4.4692 -4.4692 -4.3376 -4.3376 -4.2953 -4.2953 -4.2439 -4.2439 -3.8993 -3.8993 -3.8089 -3.8089 -3.6381 -3.6381 -3.5816 -3.5816 -3.5343 -3.5343 -3.3775 -3.3775 -3.1999 -3.1999 -3.1485 -3.1485 -3.1044 -3.1044 -3.0762 -3.0762 -3.0615 -3.0615 -3.0015 -3.0015 -2.8782 -2.8782 -2.8033 -2.8033 -2.7564 -2.7564 -2.7330 -2.7330 -2.7219 -2.7219 -2.6334 -2.6334 k = 0.0666-0.0922 0.5017 ( 11124 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7988 -18.7988 -18.4024 -18.4024 -18.3262 -18.3262 -18.3238 -18.3238 -18.2146 -18.2146 -18.1632 -18.1632 -15.7653 -15.7653 -15.6879 -15.6879 -5.0064 -5.0064 -4.6589 -4.6589 -4.4647 -4.4647 -4.3416 -4.3416 -4.2986 -4.2986 -4.2588 -4.2588 -3.9019 -3.9019 -3.8095 -3.8095 -3.6167 -3.6167 -3.5799 -3.5799 -3.5220 -3.5220 -3.3817 -3.3817 -3.2009 -3.2009 -3.1463 -3.1463 -3.1017 -3.1017 -3.0747 -3.0747 -3.0639 -3.0639 -3.0007 -3.0007 -2.8761 -2.8761 -2.8083 -2.8083 -2.7549 -2.7549 -2.7315 -2.7315 -2.7209 -2.7209 -2.6317 -2.6317 k = 0.0555-0.0768 0.5017 ( 11116 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8211 -40.8211 -40.8166 -40.8166 -18.7996 -18.7996 -18.4030 -18.4030 -18.3258 -18.3258 -18.3231 -18.3231 -18.2145 -18.2145 -18.1628 -18.1628 -15.7658 -15.7658 -15.6870 -15.6870 -5.0108 -5.0108 -4.6646 -4.6646 -4.4597 -4.4597 -4.3450 -4.3450 -4.3013 -4.3013 -4.2727 -4.2727 -3.9041 -3.9041 -3.8099 -3.8099 -3.5992 -3.5992 -3.5756 -3.5756 -3.5111 -3.5111 -3.3879 -3.3879 -3.2012 -3.2012 -3.1440 -3.1440 -3.1009 -3.1009 -3.0754 -3.0754 -3.0630 -3.0630 -2.9997 -2.9997 -2.8747 -2.8747 -2.8128 -2.8128 -2.7535 -2.7535 -2.7303 -2.7303 -2.7202 -2.7202 -2.6302 -2.6302 k = 0.0444-0.0615 0.5017 ( 11122 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8003 -18.8003 -18.4035 -18.4035 -18.3255 -18.3255 -18.3225 -18.3225 -18.2144 -18.2144 -18.1625 -18.1625 -15.7662 -15.7662 -15.6863 -15.6863 -5.0144 -5.0144 -4.6693 -4.6693 -4.4545 -4.4545 -4.3479 -4.3479 -4.3036 -4.3036 -4.2852 -4.2852 -3.9059 -3.9059 -3.8102 -3.8102 -3.5907 -3.5907 -3.5637 -3.5637 -3.5014 -3.5014 -3.3962 -3.3962 -3.2009 -3.2009 -3.1420 -3.1420 -3.1020 -3.1020 -3.0762 -3.0762 -3.0608 -3.0608 -2.9985 -2.9985 -2.8739 -2.8739 -2.8167 -2.8167 -2.7522 -2.7522 -2.7292 -2.7292 -2.7197 -2.7197 -2.6290 -2.6290 k = 0.0333-0.0461 0.5017 ( 11122 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8008 -18.8008 -18.4039 -18.4039 -18.3253 -18.3253 -18.3220 -18.3220 -18.2144 -18.2144 -18.1623 -18.1623 -15.7666 -15.7666 -15.6858 -15.6858 -5.0173 -5.0173 -4.6730 -4.6730 -4.4497 -4.4497 -4.3502 -4.3502 -4.3055 -4.3055 -4.2958 -4.2958 -3.9073 -3.9073 -3.8104 -3.8104 -3.5885 -3.5885 -3.5478 -3.5478 -3.4929 -3.4929 -3.4062 -3.4062 -3.2000 -3.2000 -3.1402 -3.1402 -3.1045 -3.1045 -3.0762 -3.0762 -3.0586 -3.0586 -2.9972 -2.9972 -2.8737 -2.8737 -2.8198 -2.8198 -2.7510 -2.7510 -2.7284 -2.7284 -2.7195 -2.7195 -2.6280 -2.6280 k = 0.0222-0.0307 0.5017 ( 11120 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8012 -18.8012 -18.4042 -18.4042 -18.3251 -18.3251 -18.3217 -18.3217 -18.2143 -18.2143 -18.1622 -18.1622 -15.7668 -15.7668 -15.6854 -15.6854 -5.0194 -5.0194 -4.6757 -4.6757 -4.4455 -4.4455 -4.3518 -4.3518 -4.3073 -4.3073 -4.3035 -4.3035 -3.9083 -3.9083 -3.8105 -3.8105 -3.5879 -3.5879 -3.5335 -3.5335 -3.4851 -3.4851 -3.4169 -3.4169 -3.1989 -3.1989 -3.1388 -3.1388 -3.1073 -3.1073 -3.0758 -3.0758 -3.0568 -3.0568 -2.9961 -2.9961 -2.8739 -2.8739 -2.8220 -2.8220 -2.7502 -2.7502 -2.7278 -2.7278 -2.7193 -2.7193 -2.6273 -2.6273 k = 0.0111-0.0154 0.5017 ( 11120 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8014 -18.8014 -18.4044 -18.4044 -18.3250 -18.3250 -18.3215 -18.3215 -18.2143 -18.2143 -18.1621 -18.1621 -15.7670 -15.7670 -15.6851 -15.6851 -5.0206 -5.0206 -4.6773 -4.6773 -4.4428 -4.4428 -4.3528 -4.3528 -4.3104 -4.3104 -4.3064 -4.3064 -3.9089 -3.9089 -3.8105 -3.8105 -3.5878 -3.5878 -3.5239 -3.5239 -3.4782 -3.4782 -3.4265 -3.4265 -3.1980 -3.1980 -3.1378 -3.1378 -3.1093 -3.1093 -3.0754 -3.0754 -3.0557 -3.0557 -2.9954 -2.9954 -2.8741 -2.8741 -2.8233 -2.8233 -2.7496 -2.7496 -2.7274 -2.7274 -2.7193 -2.7193 -2.6269 -2.6269 k = 0.0000 0.0000 0.5017 ( 11112 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8211 -40.8211 -40.8166 -40.8166 -18.8015 -18.8015 -18.4045 -18.4045 -18.3250 -18.3250 -18.3214 -18.3214 -18.2143 -18.2143 -18.1621 -18.1621 -15.7670 -15.7670 -15.6850 -15.6850 -5.0210 -5.0210 -4.6778 -4.6778 -4.4417 -4.4417 -4.3532 -4.3532 -4.3120 -4.3120 -4.3069 -4.3069 -3.9091 -3.9091 -3.8105 -3.8105 -3.5878 -3.5878 -3.5205 -3.5205 -3.4750 -3.4750 -3.4307 -3.4307 -3.1977 -3.1977 -3.1375 -3.1375 -3.1101 -3.1101 -3.0753 -3.0753 -3.0553 -3.0553 -2.9951 -2.9951 -2.8742 -2.8742 -2.8237 -2.8237 -2.7494 -2.7494 -2.7273 -2.7273 -2.7193 -2.7193 -2.6267 -2.6267 k = 0.0000 0.0000 0.5017 ( 11112 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8211 -40.8211 -40.8166 -40.8166 -18.8015 -18.8015 -18.4045 -18.4045 -18.3250 -18.3250 -18.3214 -18.3214 -18.2143 -18.2143 -18.1621 -18.1621 -15.7670 -15.7670 -15.6850 -15.6850 -5.0210 -5.0210 -4.6778 -4.6778 -4.4417 -4.4417 -4.3532 -4.3532 -4.3120 -4.3120 -4.3069 -4.3069 -3.9091 -3.9091 -3.8105 -3.8105 -3.5878 -3.5878 -3.5205 -3.5205 -3.4750 -3.4750 -3.4307 -3.4307 -3.1977 -3.1977 -3.1375 -3.1375 -3.1101 -3.1101 -3.0753 -3.0753 -3.0553 -3.0553 -2.9951 -2.9951 -2.8742 -2.8742 -2.8237 -2.8237 -2.7494 -2.7494 -2.7273 -2.7273 -2.7193 -2.7193 -2.6267 -2.6267 k = 0.0153 0.0110 0.5017 ( 11117 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8013 -18.8013 -18.4044 -18.4044 -18.3250 -18.3250 -18.3215 -18.3215 -18.2143 -18.2143 -18.1621 -18.1621 -15.7670 -15.7670 -15.6851 -15.6851 -5.0206 -5.0206 -4.6775 -4.6775 -4.4417 -4.4417 -4.3524 -4.3524 -4.3124 -4.3124 -4.3056 -4.3056 -3.9089 -3.9089 -3.8106 -3.8106 -3.5879 -3.5879 -3.5206 -3.5206 -3.4757 -3.4757 -3.4302 -3.4302 -3.1993 -3.1993 -3.1378 -3.1378 -3.1094 -3.1094 -3.0762 -3.0762 -3.0580 -3.0580 -2.9919 -2.9919 -2.8747 -2.8747 -2.8242 -2.8242 -2.7497 -2.7497 -2.7275 -2.7275 -2.7186 -2.7186 -2.6271 -2.6271 k = 0.0306 0.0221 0.5017 ( 11117 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8010 -18.8010 -18.4043 -18.4043 -18.3250 -18.3250 -18.3217 -18.3217 -18.2143 -18.2143 -18.1623 -18.1623 -15.7670 -15.7670 -15.6853 -15.6853 -5.0194 -5.0194 -4.6765 -4.6765 -4.4414 -4.4414 -4.3499 -4.3499 -4.3129 -4.3129 -4.3023 -4.3023 -3.9084 -3.9084 -3.8107 -3.8107 -3.5883 -3.5883 -3.5210 -3.5210 -3.4777 -3.4777 -3.4289 -3.4289 -3.2040 -3.2040 -3.1388 -3.1388 -3.1076 -3.1076 -3.0816 -3.0816 -3.0608 -3.0608 -2.9844 -2.9844 -2.8762 -2.8762 -2.8257 -2.8257 -2.7507 -2.7507 -2.7279 -2.7279 -2.7168 -2.7168 -2.6283 -2.6283 k = 0.0459 0.0331 0.5017 ( 11104 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8005 -18.8005 -18.4041 -18.4041 -18.3251 -18.3251 -18.3221 -18.3221 -18.2143 -18.2143 -18.1627 -18.1627 -15.7669 -15.7669 -15.6857 -15.6857 -5.0173 -5.0173 -4.6748 -4.6748 -4.4408 -4.4408 -4.3459 -4.3459 -4.3127 -4.3127 -4.2980 -4.2980 -3.9075 -3.9075 -3.8109 -3.8109 -3.5891 -3.5891 -3.5217 -3.5217 -3.4805 -3.4805 -3.4269 -3.4269 -3.2113 -3.2113 -3.1401 -3.1401 -3.1068 -3.1068 -3.0923 -3.0923 -3.0590 -3.0590 -2.9753 -2.9753 -2.8786 -2.8786 -2.8281 -2.8281 -2.7520 -2.7520 -2.7287 -2.7287 -2.7140 -2.7140 -2.6302 -2.6302 k = 0.0612 0.0442 0.5017 ( 11106 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7997 -18.7997 -18.4038 -18.4038 -18.3251 -18.3251 -18.3225 -18.3225 -18.2143 -18.2143 -18.1632 -18.1632 -15.7669 -15.7669 -15.6862 -15.6862 -5.0144 -5.0144 -4.6724 -4.6724 -4.4400 -4.4400 -4.3406 -4.3406 -4.3117 -4.3117 -4.2926 -4.2926 -3.9063 -3.9063 -3.8111 -3.8111 -3.5904 -3.5904 -3.5230 -3.5230 -3.4836 -3.4836 -3.4246 -3.4246 -3.2210 -3.2210 -3.1419 -3.1419 -3.1156 -3.1156 -3.0961 -3.0961 -3.0543 -3.0543 -2.9663 -2.9663 -2.8821 -2.8821 -2.8315 -2.8315 -2.7536 -2.7536 -2.7297 -2.7297 -2.7105 -2.7105 -2.6329 -2.6329 k = 0.0765 0.0552 0.5017 ( 11098 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8211 -40.8211 -40.8166 -40.8166 -18.7988 -18.7988 -18.4034 -18.4034 -18.3252 -18.3252 -18.3232 -18.3232 -18.2143 -18.2143 -18.1638 -18.1638 -15.7668 -15.7668 -15.6868 -15.6868 -5.0107 -5.0107 -4.6692 -4.6692 -4.4387 -4.4387 -4.3339 -4.3339 -4.3099 -4.3099 -4.2863 -4.2863 -3.9049 -3.9049 -3.8115 -3.8115 -3.5924 -3.5924 -3.5252 -3.5252 -3.4862 -3.4862 -3.4221 -3.4221 -3.2326 -3.2326 -3.1450 -3.1450 -3.1309 -3.1309 -3.0932 -3.0932 -3.0483 -3.0483 -2.9581 -2.9581 -2.8866 -2.8866 -2.8357 -2.8357 -2.7554 -2.7554 -2.7310 -2.7310 -2.7066 -2.7066 -2.6363 -2.6363 k = 0.0917 0.0663 0.5017 ( 11096 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8211 -40.8211 -40.8166 -40.8166 -18.7976 -18.7976 -18.4029 -18.4029 -18.3253 -18.3253 -18.3239 -18.3239 -18.2143 -18.2143 -18.1646 -18.1646 -15.7667 -15.7667 -15.6876 -15.6876 -5.0063 -5.0063 -4.6653 -4.6653 -4.4369 -4.4369 -4.3262 -4.3262 -4.3072 -4.3072 -4.2791 -4.2791 -3.9031 -3.9031 -3.8118 -3.8118 -3.5955 -3.5955 -3.5282 -3.5282 -3.4880 -3.4880 -3.4195 -3.4195 -3.2463 -3.2463 -3.1555 -3.1555 -3.1403 -3.1403 -3.0890 -3.0890 -3.0416 -3.0416 -2.9508 -2.9508 -2.8921 -2.8921 -2.8407 -2.8407 -2.7573 -2.7573 -2.7326 -2.7326 -2.7025 -2.7025 -2.6404 -2.6404 k = 0.1070 0.0773 0.5017 ( 11094 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8211 -40.8211 -40.8166 -40.8166 -18.7963 -18.7963 -18.4024 -18.4024 -18.3255 -18.3255 -18.3246 -18.3246 -18.2144 -18.2144 -18.1654 -18.1654 -15.7665 -15.7665 -15.6885 -15.6885 -5.0010 -5.0010 -4.6607 -4.6607 -4.4346 -4.4346 -4.3175 -4.3175 -4.3036 -4.3036 -4.2712 -4.2712 -3.9012 -3.9012 -3.8121 -3.8121 -3.6001 -3.6001 -3.5319 -3.5319 -3.4887 -3.4887 -3.4170 -3.4170 -3.2619 -3.2619 -3.1724 -3.1724 -3.1430 -3.1430 -3.0843 -3.0843 -3.0347 -3.0347 -2.9446 -2.9446 -2.8985 -2.8985 -2.8463 -2.8463 -2.7593 -2.7593 -2.7345 -2.7345 -2.6983 -2.6983 -2.6451 -2.6451 k = 0.1223 0.0883 0.5017 ( 11089 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8211 -40.8211 -40.8166 -40.8166 -18.7947 -18.7947 -18.4018 -18.4018 -18.3259 -18.3259 -18.3252 -18.3252 -18.2144 -18.2144 -18.1664 -18.1664 -15.7664 -15.7664 -15.6895 -15.6895 -4.9951 -4.9951 -4.6552 -4.6552 -4.4317 -4.4317 -4.3082 -4.3082 -4.2990 -4.2990 -4.2624 -4.2624 -3.8990 -3.8990 -3.8124 -3.8124 -3.6064 -3.6064 -3.5361 -3.5361 -3.4884 -3.4884 -3.4144 -3.4144 -3.2795 -3.2795 -3.1895 -3.1895 -3.1444 -3.1444 -3.0793 -3.0793 -3.0279 -3.0279 -2.9395 -2.9395 -2.9058 -2.9058 -2.8525 -2.8525 -2.7614 -2.7614 -2.7368 -2.7368 -2.6942 -2.6942 -2.6505 -2.6505 k = 0.1376 0.0994 0.5017 ( 11087 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8211 -40.8211 -40.8166 -40.8166 -18.7930 -18.7930 -18.4012 -18.4012 -18.3268 -18.3268 -18.3255 -18.3255 -18.2144 -18.2144 -18.1676 -18.1676 -15.7662 -15.7662 -15.6907 -15.6907 -4.9884 -4.9884 -4.6489 -4.6489 -4.4281 -4.4281 -4.2991 -4.2991 -4.2927 -4.2927 -4.2529 -4.2529 -3.8968 -3.8968 -3.8127 -3.8127 -3.6147 -3.6147 -3.5403 -3.5403 -3.4872 -3.4872 -3.4120 -3.4120 -3.2992 -3.2992 -3.2053 -3.2053 -3.1456 -3.1456 -3.0742 -3.0742 -3.0214 -3.0214 -2.9356 -2.9356 -2.9135 -2.9135 -2.8592 -2.8592 -2.7636 -2.7636 -2.7394 -2.7394 -2.6905 -2.6905 -2.6565 -2.6565 k = 0.1529 0.1104 0.5017 ( 11102 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8211 -40.8211 -40.8166 -40.8166 -18.7912 -18.7912 -18.4007 -18.4007 -18.3278 -18.3278 -18.3256 -18.3256 -18.2144 -18.2144 -18.1688 -18.1688 -15.7659 -15.7659 -15.6920 -15.6920 -4.9811 -4.9811 -4.6417 -4.6417 -4.4240 -4.4240 -4.2914 -4.2914 -4.2837 -4.2837 -4.2428 -4.2428 -3.8945 -3.8945 -3.8129 -3.8129 -3.6251 -3.6251 -3.5444 -3.5444 -3.4855 -3.4855 -3.4097 -3.4097 -3.3206 -3.3206 -3.2194 -3.2194 -3.1466 -3.1466 -3.0688 -3.0688 -3.0154 -3.0154 -2.9343 -2.9343 -2.9202 -2.9202 -2.8663 -2.8663 -2.7659 -2.7659 -2.7424 -2.7424 -2.6873 -2.6873 -2.6628 -2.6628 k = 0.1682 0.1215 0.5017 ( 11102 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8211 -40.8211 -40.8166 -40.8166 -18.7892 -18.7892 -18.4001 -18.4001 -18.3288 -18.3288 -18.3258 -18.3258 -18.2145 -18.2145 -18.1701 -18.1701 -15.7657 -15.7657 -15.6934 -15.6934 -4.9732 -4.9732 -4.6337 -4.6337 -4.4192 -4.4192 -4.2844 -4.2844 -4.2727 -4.2727 -4.2321 -4.2321 -3.8923 -3.8923 -3.8128 -3.8128 -3.6375 -3.6375 -3.5485 -3.5485 -3.4833 -3.4833 -3.4080 -3.4080 -3.3426 -3.3426 -3.2318 -3.2318 -3.1475 -3.1475 -3.0634 -3.0634 -3.0102 -3.0102 -2.9391 -2.9391 -2.9217 -2.9217 -2.8736 -2.8736 -2.7683 -2.7683 -2.7457 -2.7457 -2.6849 -2.6849 -2.6694 -2.6694 k = 0.1835 0.1325 0.5017 ( 11113 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7870 -18.7870 -18.3995 -18.3995 -18.3298 -18.3298 -18.3259 -18.3259 -18.2145 -18.2145 -18.1716 -18.1716 -15.7653 -15.7653 -15.6949 -15.6949 -4.9647 -4.9647 -4.6247 -4.6247 -4.4137 -4.4137 -4.2772 -4.2772 -4.2610 -4.2610 -4.2209 -4.2209 -3.8902 -3.8902 -3.8126 -3.8126 -3.6517 -3.6517 -3.5526 -3.5526 -3.4808 -3.4808 -3.4087 -3.4087 -3.3633 -3.3633 -3.2426 -3.2426 -3.1485 -3.1485 -3.0579 -3.0579 -3.0059 -3.0059 -2.9485 -2.9485 -2.9194 -2.9194 -2.8811 -2.8811 -2.7710 -2.7710 -2.7495 -2.7495 -2.6845 -2.6845 -2.6750 -2.6750 k = 0.1988 0.1436 0.5017 ( 11115 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7848 -18.7848 -18.3991 -18.3991 -18.3308 -18.3308 -18.3261 -18.3261 -18.2145 -18.2145 -18.1731 -18.1731 -15.7650 -15.7650 -15.6964 -15.6964 -4.9556 -4.9556 -4.6148 -4.6148 -4.4076 -4.4076 -4.2697 -4.2697 -4.2487 -4.2487 -4.2093 -4.2093 -3.8884 -3.8884 -3.8121 -3.8121 -3.6675 -3.6675 -3.5570 -3.5570 -3.4782 -3.4782 -3.4164 -3.4164 -3.3771 -3.3771 -3.2518 -3.2518 -3.1496 -3.1496 -3.0525 -3.0525 -3.0027 -3.0027 -2.9592 -2.9592 -2.9161 -2.9161 -2.8887 -2.8887 -2.7738 -2.7738 -2.7536 -2.7536 -2.6886 -2.6886 -2.6773 -2.6773 k = 0.2141 0.1546 0.5017 ( 11115 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7824 -18.7824 -18.3987 -18.3987 -18.3317 -18.3317 -18.3262 -18.3262 -18.2145 -18.2145 -18.1747 -18.1747 -15.7646 -15.7646 -15.6981 -15.6981 -4.9461 -4.9461 -4.6040 -4.6040 -4.4010 -4.4010 -4.2617 -4.2617 -4.2362 -4.2362 -4.1974 -4.1974 -3.8869 -3.8869 -3.8111 -3.8111 -3.6848 -3.6848 -3.5617 -3.5617 -3.4760 -3.4760 -3.4339 -3.4339 -3.3804 -3.3804 -3.2596 -3.2596 -3.1511 -3.1511 -3.0472 -3.0472 -3.0006 -3.0006 -2.9703 -2.9703 -2.9123 -2.9123 -2.8962 -2.8962 -2.7768 -2.7768 -2.7581 -2.7581 -2.6957 -2.6957 -2.6775 -2.6775 k = 0.2294 0.1656 0.5017 ( 11130 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7800 -18.7800 -18.3984 -18.3984 -18.3325 -18.3325 -18.3264 -18.3264 -18.2146 -18.2146 -18.1764 -18.1764 -15.7641 -15.7641 -15.6999 -15.6999 -4.9361 -4.9361 -4.5922 -4.5922 -4.3938 -4.3938 -4.2533 -4.2533 -4.2235 -4.2235 -4.1854 -4.1854 -3.8860 -3.8860 -3.8098 -3.8098 -3.7032 -3.7032 -3.5670 -3.5670 -3.4770 -3.4770 -3.4533 -3.4533 -3.3783 -3.3783 -3.2661 -3.2661 -3.1532 -3.1532 -3.0423 -3.0423 -2.9996 -2.9996 -2.9811 -2.9811 -2.9092 -2.9092 -2.9024 -2.9024 -2.7803 -2.7803 -2.7629 -2.7629 -2.7036 -2.7036 -2.6779 -2.6779 k = 0.2446 0.1767 0.5017 ( 11130 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7775 -18.7775 -18.3982 -18.3982 -18.3332 -18.3332 -18.3266 -18.3266 -18.2146 -18.2146 -18.1781 -18.1781 -15.7636 -15.7636 -15.7017 -15.7017 -4.9258 -4.9258 -4.5795 -4.5795 -4.3860 -4.3860 -4.2446 -4.2446 -4.2108 -4.2108 -4.1734 -4.1734 -3.8858 -3.8858 -3.8079 -3.8079 -3.7225 -3.7225 -3.5728 -3.5728 -3.4910 -3.4910 -3.4611 -3.4611 -3.3741 -3.3741 -3.2713 -3.2713 -3.1562 -3.1562 -3.0380 -3.0380 -3.0000 -3.0000 -2.9908 -2.9908 -2.9127 -2.9127 -2.9013 -2.9013 -2.7842 -2.7842 -2.7679 -2.7679 -2.7119 -2.7119 -2.6789 -2.6789 k = 0.2599 0.1877 0.5017 ( 11131 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7750 -18.7750 -18.3982 -18.3982 -18.3337 -18.3337 -18.3267 -18.3267 -18.2146 -18.2146 -18.1799 -18.1799 -15.7631 -15.7631 -15.7036 -15.7036 -4.9153 -4.9153 -4.5658 -4.5658 -4.3778 -4.3778 -4.2356 -4.2356 -4.1981 -4.1981 -4.1615 -4.1615 -3.8865 -3.8865 -3.8054 -3.8054 -3.7425 -3.7425 -3.5792 -3.5792 -3.5139 -3.5139 -3.4599 -3.4599 -3.3690 -3.3690 -3.2754 -3.2754 -3.1604 -3.1604 -3.0349 -3.0349 -3.0024 -3.0024 -2.9976 -2.9976 -2.9193 -2.9193 -2.8965 -2.8965 -2.7888 -2.7888 -2.7730 -2.7730 -2.7203 -2.7203 -2.6806 -2.6806 k = 0.2752 0.1988 0.5017 ( 11148 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7724 -18.7724 -18.3983 -18.3983 -18.3340 -18.3340 -18.3269 -18.3269 -18.2147 -18.2147 -18.1817 -18.1817 -15.7625 -15.7625 -15.7055 -15.7055 -4.9045 -4.9045 -4.5513 -4.5513 -4.3691 -4.3691 -4.2264 -4.2264 -4.1855 -4.1855 -4.1499 -4.1499 -3.8883 -3.8883 -3.8026 -3.8026 -3.7626 -3.7626 -3.5865 -3.5865 -3.5376 -3.5376 -3.4572 -3.4572 -3.3634 -3.3634 -3.2782 -3.2782 -3.1662 -3.1662 -3.0337 -3.0337 -3.0067 -3.0067 -3.0005 -3.0005 -2.9255 -2.9255 -2.8911 -2.8911 -2.7942 -2.7942 -2.7779 -2.7779 -2.7287 -2.7287 -2.6831 -2.6831 k = 0.2905 0.2098 0.5017 ( 11148 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7699 -18.7699 -18.3986 -18.3986 -18.3342 -18.3342 -18.3271 -18.3271 -18.2147 -18.2147 -18.1835 -18.1835 -15.7618 -15.7618 -15.7075 -15.7075 -4.8937 -4.8937 -4.5359 -4.5359 -4.3601 -4.3601 -4.2172 -4.2172 -4.1732 -4.1732 -4.1388 -4.1388 -3.8914 -3.8914 -3.8015 -3.8015 -3.7802 -3.7802 -3.5951 -3.5951 -3.5598 -3.5598 -3.4540 -3.4540 -3.3577 -3.3577 -3.2798 -3.2798 -3.1739 -3.1739 -3.0345 -3.0345 -3.0094 -3.0094 -3.0025 -3.0025 -2.9309 -2.9309 -2.8854 -2.8854 -2.8005 -2.8005 -2.7826 -2.7826 -2.7369 -2.7369 -2.6862 -2.6862 k = 0.3058 0.2209 0.5017 ( 11154 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7674 -18.7674 -18.3991 -18.3991 -18.3342 -18.3342 -18.3272 -18.3272 -18.2147 -18.2147 -18.1853 -18.1853 -15.7611 -15.7611 -15.7095 -15.7095 -4.8828 -4.8828 -4.5196 -4.5196 -4.3507 -4.3507 -4.2080 -4.2080 -4.1612 -4.1612 -4.1284 -4.1284 -3.8962 -3.8962 -3.8119 -3.8119 -3.7854 -3.7854 -3.6070 -3.6070 -3.5780 -3.5780 -3.4509 -3.4509 -3.3521 -3.3521 -3.2802 -3.2802 -3.1836 -3.1836 -3.0362 -3.0362 -3.0111 -3.0111 -3.0042 -3.0042 -2.9349 -2.9349 -2.8795 -2.8795 -2.8078 -2.8078 -2.7870 -2.7870 -2.7451 -2.7451 -2.6900 -2.6900 k = 0.3211 0.2319 0.5017 ( 11158 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7650 -18.7650 -18.3997 -18.3997 -18.3340 -18.3340 -18.3274 -18.3274 -18.2147 -18.2147 -18.1871 -18.1871 -15.7603 -15.7603 -15.7114 -15.7114 -4.8721 -4.8721 -4.5027 -4.5027 -4.3410 -4.3410 -4.1990 -4.1990 -4.1495 -4.1495 -4.1187 -4.1187 -3.9030 -3.9030 -3.8307 -3.8307 -3.7806 -3.7806 -3.6235 -3.6235 -3.5902 -3.5902 -3.4478 -3.4478 -3.3468 -3.3468 -3.2795 -3.2795 -3.1953 -3.1953 -3.0375 -3.0375 -3.0133 -3.0133 -3.0053 -3.0053 -2.9373 -2.9373 -2.8737 -2.8737 -2.8157 -2.8157 -2.7912 -2.7912 -2.7531 -2.7531 -2.6944 -2.6944 k = 0.3364 0.2429 0.5017 ( 11160 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7626 -18.7626 -18.4004 -18.4004 -18.3337 -18.3337 -18.3275 -18.3275 -18.2147 -18.2147 -18.1889 -18.1889 -15.7595 -15.7595 -15.7134 -15.7134 -4.8616 -4.8616 -4.4852 -4.4852 -4.3310 -4.3310 -4.1903 -4.1903 -4.1384 -4.1384 -4.1098 -4.1098 -3.9120 -3.9120 -3.8500 -3.8500 -3.7730 -3.7730 -3.6428 -3.6428 -3.5980 -3.5980 -3.4451 -3.4451 -3.3421 -3.3421 -3.2777 -3.2777 -3.2086 -3.2086 -3.0377 -3.0377 -3.0162 -3.0162 -3.0064 -3.0064 -2.9379 -2.9379 -2.8680 -2.8680 -2.8243 -2.8243 -2.7951 -2.7951 -2.7609 -2.7609 -2.6993 -2.6993 k = 0.3517 0.2540 0.5017 ( 11156 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7604 -18.7604 -18.4011 -18.4011 -18.3332 -18.3332 -18.3277 -18.3277 -18.2147 -18.2147 -18.1906 -18.1906 -15.7586 -15.7586 -15.7154 -15.7154 -4.8514 -4.8514 -4.4672 -4.4672 -4.3208 -4.3208 -4.1820 -4.1820 -4.1278 -4.1278 -4.1019 -4.1019 -3.9235 -3.9235 -3.8684 -3.8684 -3.7639 -3.7639 -3.6623 -3.6623 -3.6036 -3.6036 -3.4426 -3.4426 -3.3382 -3.3382 -3.2750 -3.2750 -3.2232 -3.2232 -3.0368 -3.0368 -3.0196 -3.0196 -3.0078 -3.0078 -2.9367 -2.9367 -2.8626 -2.8626 -2.8332 -2.8332 -2.7988 -2.7988 -2.7684 -2.7684 -2.7046 -2.7046 k = 0.3670 0.2650 0.5017 ( 11155 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7582 -18.7582 -18.4020 -18.4020 -18.3327 -18.3327 -18.3278 -18.3278 -18.2147 -18.2147 -18.1922 -18.1922 -15.7577 -15.7577 -15.7173 -15.7173 -4.8416 -4.8416 -4.4491 -4.4491 -4.3104 -4.3104 -4.1744 -4.1744 -4.1181 -4.1181 -4.0949 -4.0949 -3.9373 -3.9373 -3.8855 -3.8855 -3.7537 -3.7537 -3.6809 -3.6809 -3.6077 -3.6077 -3.4407 -3.4407 -3.3351 -3.3351 -3.2714 -3.2714 -3.2387 -3.2387 -3.0354 -3.0354 -3.0227 -3.0227 -3.0093 -3.0093 -2.9341 -2.9341 -2.8576 -2.8576 -2.8422 -2.8422 -2.8021 -2.8021 -2.7757 -2.7757 -2.7101 -2.7101 k = 0.3823 0.2761 0.5017 ( 11140 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7563 -18.7563 -18.4028 -18.4028 -18.3321 -18.3321 -18.3280 -18.3280 -18.2147 -18.2147 -18.1938 -18.1938 -15.7568 -15.7568 -15.7192 -15.7192 -4.8325 -4.8325 -4.4311 -4.4311 -4.2998 -4.2998 -4.1677 -4.1677 -4.1093 -4.1093 -4.0886 -4.0886 -3.9524 -3.9524 -3.9013 -3.9013 -3.7431 -3.7431 -3.6974 -3.6974 -3.6106 -3.6106 -3.4393 -3.4393 -3.3327 -3.3327 -3.2677 -3.2677 -3.2542 -3.2542 -3.0349 -3.0349 -3.0241 -3.0241 -3.0109 -3.0109 -2.9304 -2.9304 -2.8537 -2.8537 -2.8508 -2.8508 -2.8051 -2.8051 -2.7825 -2.7825 -2.7159 -2.7159 k = 0.3976 0.2871 0.5017 ( 11140 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7545 -18.7545 -18.4036 -18.4036 -18.3314 -18.3314 -18.3281 -18.3281 -18.2147 -18.2147 -18.1952 -18.1952 -15.7559 -15.7559 -15.7209 -15.7209 -4.8240 -4.8240 -4.4137 -4.4137 -4.2889 -4.2889 -4.1619 -4.1619 -4.1016 -4.1016 -4.0831 -4.0831 -3.9679 -3.9679 -3.9164 -3.9164 -3.7354 -3.7354 -3.7088 -3.7088 -3.6125 -3.6125 -3.4386 -3.4386 -3.3311 -3.3311 -3.2717 -3.2717 -3.2616 -3.2616 -3.0370 -3.0370 -3.0223 -3.0223 -3.0121 -3.0121 -2.9262 -2.9262 -2.8604 -2.8604 -2.8497 -2.8497 -2.8075 -2.8075 -2.7886 -2.7886 -2.7218 -2.7218 k = 0.4128 0.2982 0.5017 ( 11146 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7530 -18.7530 -18.4044 -18.4044 -18.3308 -18.3308 -18.3282 -18.3282 -18.2147 -18.2147 -18.1965 -18.1965 -15.7549 -15.7549 -15.7226 -15.7226 -4.8165 -4.8165 -4.3975 -4.3975 -4.2778 -4.2778 -4.1574 -4.1574 -4.0955 -4.0955 -4.0782 -4.0782 -3.9824 -3.9824 -3.9310 -3.9310 -3.7395 -3.7395 -3.7064 -3.7064 -3.6133 -3.6133 -3.4387 -3.4387 -3.3301 -3.3301 -3.2863 -3.2863 -3.2579 -3.2579 -3.0406 -3.0406 -3.0187 -3.0187 -3.0127 -3.0127 -2.9218 -2.9218 -2.8687 -2.8687 -2.8475 -2.8475 -2.8100 -2.8100 -2.7931 -2.7931 -2.7276 -2.7276 k = 0.4281 0.3092 0.5017 ( 11157 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7517 -18.7517 -18.4051 -18.4051 -18.3302 -18.3302 -18.3283 -18.3283 -18.2147 -18.2147 -18.1976 -18.1976 -15.7541 -15.7541 -15.7241 -15.7241 -4.8098 -4.8098 -4.3830 -4.3830 -4.2664 -4.2664 -4.1542 -4.1542 -4.0911 -4.0911 -4.0737 -4.0737 -3.9947 -3.9947 -3.9452 -3.9452 -3.7505 -3.7505 -3.6950 -3.6950 -3.6133 -3.6133 -3.4399 -3.4399 -3.3297 -3.3297 -3.3004 -3.3004 -3.2539 -3.2539 -3.0443 -3.0443 -3.0158 -3.0158 -3.0114 -3.0114 -2.9178 -2.9178 -2.8762 -2.8762 -2.8463 -2.8463 -2.8134 -2.8134 -2.7949 -2.7949 -2.7334 -2.7334 k = 0.4434 0.3202 0.5017 ( 11156 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7506 -18.7506 -18.4057 -18.4057 -18.3297 -18.3297 -18.3283 -18.3283 -18.2147 -18.2147 -18.1985 -18.1985 -15.7533 -15.7533 -15.7254 -15.7254 -4.8043 -4.8043 -4.3710 -4.3710 -4.2551 -4.2551 -4.1525 -4.1525 -4.0885 -4.0885 -4.0695 -4.0695 -4.0042 -4.0042 -3.9585 -3.9585 -3.7619 -3.7619 -3.6819 -3.6819 -3.6124 -3.6124 -3.4421 -3.4421 -3.3298 -3.3298 -3.3128 -3.3128 -3.2504 -3.2504 -3.0478 -3.0478 -3.0152 -3.0152 -3.0072 -3.0072 -2.9148 -2.9148 -2.8822 -2.8822 -2.8459 -2.8459 -2.8180 -2.8180 -2.7938 -2.7938 -2.7390 -2.7390 k = 0.4587 0.3313 0.5017 ( 11161 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7498 -18.7498 -18.4062 -18.4062 -18.3293 -18.3293 -18.3284 -18.3284 -18.2147 -18.2147 -18.1993 -18.1993 -15.7527 -15.7527 -15.7264 -15.7264 -4.7999 -4.7999 -4.3621 -4.3621 -4.2441 -4.2441 -4.1522 -4.1522 -4.0869 -4.0869 -4.0657 -4.0657 -4.0114 -4.0114 -3.9700 -3.9700 -3.7722 -3.7722 -3.6688 -3.6688 -3.6107 -3.6107 -3.4456 -3.4456 -3.3304 -3.3304 -3.3230 -3.3230 -3.2475 -3.2475 -3.0508 -3.0508 -3.0150 -3.0150 -3.0025 -3.0025 -2.9135 -2.9135 -2.8860 -2.8860 -2.8457 -2.8457 -2.8231 -2.8231 -2.7906 -2.7906 -2.7443 -2.7443 k = 0.4740 0.3423 0.5017 ( 11159 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7492 -18.7492 -18.4065 -18.4065 -18.3290 -18.3290 -18.3283 -18.3283 -18.2146 -18.2146 -18.1998 -18.1998 -15.7522 -15.7522 -15.7272 -15.7272 -4.7969 -4.7969 -4.3569 -4.3569 -4.2344 -4.2344 -4.1534 -4.1534 -4.0852 -4.0852 -4.0623 -4.0623 -4.0177 -4.0177 -3.9779 -3.9779 -3.7810 -3.7810 -3.6566 -3.6566 -3.6083 -3.6083 -3.4501 -3.4501 -3.3325 -3.3325 -3.3292 -3.3292 -3.2453 -3.2453 -3.0531 -3.0531 -3.0149 -3.0149 -2.9984 -2.9984 -2.9139 -2.9139 -2.8875 -2.8875 -2.8452 -2.8452 -2.8280 -2.8280 -2.7862 -2.7862 -2.7492 -2.7492 k = 0.5000 0.3611-0.0431 ( 11112 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8211 -40.8211 -40.8166 -40.8166 -18.7747 -18.7747 -18.3841 -18.3841 -18.3607 -18.3607 -18.3159 -18.3159 -18.2122 -18.2122 -18.1809 -18.1809 -15.7436 -15.7436 -15.7230 -15.7230 -4.9532 -4.9532 -4.5701 -4.5701 -4.4736 -4.4736 -4.2961 -4.2961 -4.0705 -4.0705 -4.0013 -4.0013 -3.9256 -3.9256 -3.8525 -3.8525 -3.7539 -3.7539 -3.5325 -3.5325 -3.4594 -3.4594 -3.3352 -3.3352 -3.2793 -3.2793 -3.2351 -3.2351 -3.1628 -3.1628 -3.1306 -3.1306 -3.0723 -3.0723 -3.0579 -3.0579 -2.9927 -2.9927 -2.8739 -2.8739 -2.8465 -2.8465 -2.7475 -2.7475 -2.7469 -2.7469 -2.7070 -2.7070 k = 0.5108 0.3461-0.0431 ( 11122 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7747 -18.7747 -18.3840 -18.3840 -18.3607 -18.3607 -18.3159 -18.3159 -18.2121 -18.2121 -18.1809 -18.1809 -15.7435 -15.7435 -15.7230 -15.7230 -4.9533 -4.9533 -4.5697 -4.5697 -4.4747 -4.4747 -4.2945 -4.2945 -4.0706 -4.0706 -4.0022 -4.0022 -3.9248 -3.9248 -3.8530 -3.8530 -3.7543 -3.7543 -3.5329 -3.5329 -3.4598 -3.4598 -3.3384 -3.3384 -3.2805 -3.2805 -3.2340 -3.2340 -3.1608 -3.1608 -3.1290 -3.1290 -3.0738 -3.0738 -3.0566 -3.0566 -2.9924 -2.9924 -2.8738 -2.8738 -2.8461 -2.8461 -2.7475 -2.7475 -2.7466 -2.7466 -2.7069 -2.7069 k = 0.5216 0.3312-0.0431 ( 11120 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7748 -18.7748 -18.3838 -18.3838 -18.3609 -18.3609 -18.3160 -18.3160 -18.2118 -18.2118 -18.1809 -18.1809 -15.7433 -15.7433 -15.7232 -15.7232 -4.9537 -4.9537 -4.5685 -4.5685 -4.4781 -4.4781 -4.2897 -4.2897 -4.0710 -4.0710 -4.0051 -4.0051 -3.9224 -3.9224 -3.8544 -3.8544 -3.7554 -3.7554 -3.5341 -3.5341 -3.4609 -3.4609 -3.3469 -3.3469 -3.2850 -3.2850 -3.2296 -3.2296 -3.1571 -3.1571 -3.1234 -3.1234 -3.0774 -3.0774 -3.0536 -3.0536 -2.9914 -2.9914 -2.8737 -2.8737 -2.8449 -2.8449 -2.7472 -2.7472 -2.7455 -2.7455 -2.7066 -2.7066 k = 0.5324 0.3162-0.0431 ( 11120 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7751 -18.7751 -18.3835 -18.3835 -18.3612 -18.3612 -18.3162 -18.3162 -18.2115 -18.2115 -18.1809 -18.1809 -15.7430 -15.7430 -15.7234 -15.7234 -4.9543 -4.9543 -4.5665 -4.5665 -4.4831 -4.4831 -4.2821 -4.2821 -4.0717 -4.0717 -4.0097 -4.0097 -3.9186 -3.9186 -3.8568 -3.8568 -3.7571 -3.7571 -3.5365 -3.5365 -3.4627 -3.4627 -3.3585 -3.3585 -3.2930 -3.2930 -3.2212 -3.2212 -3.1547 -3.1547 -3.1134 -3.1134 -3.0817 -3.0817 -3.0502 -3.0502 -2.9899 -2.9899 -2.8734 -2.8734 -2.8429 -2.8429 -2.7465 -2.7465 -2.7438 -2.7438 -2.7061 -2.7061 k = 0.5433 0.3012-0.0431 ( 11122 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7754 -18.7754 -18.3831 -18.3831 -18.3616 -18.3616 -18.3165 -18.3165 -18.2109 -18.2109 -18.1810 -18.1810 -15.7425 -15.7425 -15.7237 -15.7237 -4.9551 -4.9551 -4.5639 -4.5639 -4.4893 -4.4893 -4.2726 -4.2726 -4.0727 -4.0727 -4.0160 -4.0160 -3.9134 -3.9134 -3.8601 -3.8601 -3.7593 -3.7593 -3.5409 -3.5409 -3.4649 -3.4649 -3.3715 -3.3715 -3.3023 -3.3023 -3.2102 -3.2102 -3.1543 -3.1543 -3.1017 -3.1017 -3.0851 -3.0851 -3.0465 -3.0465 -2.9878 -2.9878 -2.8731 -2.8731 -2.8402 -2.8402 -2.7456 -2.7456 -2.7415 -2.7415 -2.7054 -2.7054 k = 0.5541 0.2862-0.0431 ( 11122 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7758 -18.7758 -18.3826 -18.3826 -18.3620 -18.3620 -18.3169 -18.3169 -18.2103 -18.2103 -18.1810 -18.1810 -15.7418 -15.7418 -15.7240 -15.7240 -4.9561 -4.9561 -4.5605 -4.5605 -4.4963 -4.4963 -4.2615 -4.2615 -4.0739 -4.0739 -4.0239 -4.0239 -3.9072 -3.9072 -3.8643 -3.8643 -3.7617 -3.7617 -3.5480 -3.5480 -3.4670 -3.4670 -3.3851 -3.3851 -3.3112 -3.3112 -3.1979 -3.1979 -3.1552 -3.1552 -3.0981 -3.0981 -3.0790 -3.0790 -3.0427 -3.0427 -2.9850 -2.9850 -2.8727 -2.8727 -2.8368 -2.8368 -2.7444 -2.7444 -2.7385 -2.7385 -2.7045 -2.7045 k = 0.5649 0.2713-0.0431 ( 11116 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7763 -18.7763 -18.3819 -18.3819 -18.3626 -18.3626 -18.3173 -18.3173 -18.2095 -18.2095 -18.1810 -18.1810 -15.7411 -15.7411 -15.7245 -15.7245 -4.9574 -4.9574 -4.5564 -4.5564 -4.5035 -4.5035 -4.2495 -4.2495 -4.0754 -4.0754 -4.0330 -4.0330 -3.9001 -3.9001 -3.8692 -3.8692 -3.7640 -3.7640 -3.5584 -3.5584 -3.4689 -3.4689 -3.3986 -3.3986 -3.3183 -3.3183 -3.1853 -3.1853 -3.1569 -3.1569 -3.1029 -3.1029 -3.0650 -3.0650 -3.0387 -3.0387 -2.9817 -2.9817 -2.8722 -2.8722 -2.8328 -2.8328 -2.7430 -2.7430 -2.7349 -2.7349 -2.7034 -2.7034 k = 0.5757 0.2563-0.0431 ( 11110 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8211 -40.8211 -40.8166 -40.8166 -18.7769 -18.7769 -18.3811 -18.3811 -18.3632 -18.3632 -18.3178 -18.3178 -18.2085 -18.2085 -18.1811 -18.1811 -15.7402 -15.7402 -15.7250 -15.7250 -4.9589 -4.9589 -4.5516 -4.5516 -4.5106 -4.5106 -4.2372 -4.2372 -4.0774 -4.0774 -4.0432 -4.0432 -3.8933 -3.8933 -3.8742 -3.8742 -3.7658 -3.7658 -3.5723 -3.5723 -3.4703 -3.4703 -3.4117 -3.4117 -3.3231 -3.3231 -3.1734 -3.1734 -3.1584 -3.1584 -3.1093 -3.1093 -3.0513 -3.0513 -3.0335 -3.0335 -2.9776 -2.9776 -2.8717 -2.8717 -2.8282 -2.8282 -2.7413 -2.7413 -2.7306 -2.7306 -2.7019 -2.7019 k = 0.5865 0.2413-0.0431 ( 11126 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7776 -18.7776 -18.3802 -18.3802 -18.3638 -18.3638 -18.3183 -18.3183 -18.2075 -18.2075 -18.1811 -18.1811 -15.7391 -15.7391 -15.7257 -15.7257 -4.9605 -4.9605 -4.5463 -4.5463 -4.5174 -4.5174 -4.2248 -4.2248 -4.0800 -4.0800 -4.0543 -4.0543 -3.8904 -3.8904 -3.8759 -3.8759 -3.7666 -3.7666 -3.5895 -3.5895 -3.4714 -3.4714 -3.4241 -3.4241 -3.3255 -3.3255 -3.1664 -3.1664 -3.1559 -3.1559 -3.1160 -3.1160 -3.0418 -3.0418 -3.0251 -3.0251 -2.9727 -2.9727 -2.8712 -2.8712 -2.8230 -2.8230 -2.7394 -2.7394 -2.7258 -2.7258 -2.7002 -2.7002 k = 0.5973 0.2263-0.0431 ( 11118 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7784 -18.7784 -18.3792 -18.3792 -18.3645 -18.3645 -18.3190 -18.3190 -18.2064 -18.2064 -18.1812 -18.1812 -15.7380 -15.7380 -15.7264 -15.7264 -4.9624 -4.9624 -4.5406 -4.5406 -4.5235 -4.5235 -4.2127 -4.2127 -4.0835 -4.0835 -4.0657 -4.0657 -3.8952 -3.8952 -3.8708 -3.8708 -3.7659 -3.7659 -3.6095 -3.6095 -3.4724 -3.4724 -3.4354 -3.4354 -3.3258 -3.3258 -3.1673 -3.1673 -3.1474 -3.1474 -3.1217 -3.1217 -3.0369 -3.0369 -3.0136 -3.0136 -2.9667 -2.9667 -2.8708 -2.8708 -2.8173 -2.8173 -2.7373 -2.7373 -2.7205 -2.7205 -2.6982 -2.6982 k = 0.6081 0.2114-0.0431 ( 11118 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7793 -18.7793 -18.3781 -18.3781 -18.3652 -18.3652 -18.3197 -18.3197 -18.2052 -18.2052 -18.1813 -18.1813 -15.7367 -15.7367 -15.7271 -15.7271 -4.9644 -4.9644 -4.5355 -4.5355 -4.5278 -4.5278 -4.2012 -4.2012 -4.0888 -4.0888 -4.0766 -4.0766 -3.9035 -3.9035 -3.8638 -3.8638 -3.7632 -3.7632 -3.6316 -3.6316 -3.4734 -3.4734 -3.4453 -3.4453 -3.3242 -3.3242 -3.1698 -3.1698 -3.1433 -3.1433 -3.1222 -3.1222 -3.0340 -3.0340 -3.0023 -3.0023 -2.9594 -2.9594 -2.8703 -2.8703 -2.8111 -2.8111 -2.7349 -2.7349 -2.7146 -2.7146 -2.6957 -2.6957 k = 0.6190 0.1964-0.0431 ( 11112 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7803 -18.7803 -18.3769 -18.3769 -18.3659 -18.3659 -18.3205 -18.3205 -18.2039 -18.2039 -18.1813 -18.1813 -15.7353 -15.7353 -15.7280 -15.7280 -4.9666 -4.9666 -4.5361 -4.5361 -4.5252 -4.5252 -4.1905 -4.1905 -4.0975 -4.0975 -4.0855 -4.0855 -3.9131 -3.9131 -3.8571 -3.8571 -3.7584 -3.7584 -3.6551 -3.6551 -3.4745 -3.4745 -3.4535 -3.4535 -3.3214 -3.3214 -3.1726 -3.1726 -3.1477 -3.1477 -3.1147 -3.1147 -3.0322 -3.0322 -2.9925 -2.9925 -2.9505 -2.9505 -2.8699 -2.8699 -2.8044 -2.8044 -2.7325 -2.7325 -2.7084 -2.7084 -2.6929 -2.6929 k = 0.3810-0.5276 0.0000 ( 11112 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7803 -18.7803 -18.3769 -18.3769 -18.3659 -18.3659 -18.3205 -18.3205 -18.2039 -18.2039 -18.1813 -18.1813 -15.7353 -15.7353 -15.7280 -15.7280 -4.9666 -4.9666 -4.5361 -4.5361 -4.5252 -4.5252 -4.1905 -4.1905 -4.0975 -4.0975 -4.0855 -4.0855 -3.9131 -3.9131 -3.8571 -3.8571 -3.7584 -3.7584 -3.6551 -3.6551 -3.4745 -3.4745 -3.4535 -3.4535 -3.3214 -3.3214 -3.1726 -3.1726 -3.1477 -3.1477 -3.1147 -3.1147 -3.0322 -3.0322 -2.9925 -2.9925 -2.9505 -2.9505 -2.8699 -2.8699 -2.8044 -2.8044 -2.7325 -2.7325 -2.7084 -2.7084 -2.6929 -2.6929 k = 0.3698-0.5121 0.0000 ( 11114 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7814 -18.7814 -18.3756 -18.3756 -18.3666 -18.3666 -18.3213 -18.3213 -18.2026 -18.2026 -18.1814 -18.1814 -15.7338 -15.7338 -15.7289 -15.7289 -4.9690 -4.9690 -4.5398 -4.5398 -4.5182 -4.5182 -4.1804 -4.1804 -4.1096 -4.1096 -4.0930 -4.0930 -3.9242 -3.9242 -3.8511 -3.8511 -3.7515 -3.7515 -3.6799 -3.6799 -3.4760 -3.4760 -3.4598 -3.4598 -3.3177 -3.3177 -3.1754 -3.1754 -3.1558 -3.1558 -3.1040 -3.1040 -3.0310 -3.0310 -2.9843 -2.9843 -2.9399 -2.9399 -2.8695 -2.8695 -2.7971 -2.7971 -2.7298 -2.7298 -2.7017 -2.7017 -2.6894 -2.6894 k = 0.3586-0.4966 0.0000 ( 11110 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8211 -40.8211 -40.8166 -40.8166 -18.7826 -18.7826 -18.3741 -18.3741 -18.3672 -18.3672 -18.3223 -18.3223 -18.2011 -18.2011 -18.1814 -18.1814 -15.7321 -15.7321 -15.7299 -15.7299 -4.9716 -4.9716 -4.5429 -4.5429 -4.5106 -4.5106 -4.1715 -4.1715 -4.1227 -4.1227 -4.1007 -4.1007 -3.9363 -3.9363 -3.8458 -3.8458 -3.7453 -3.7453 -3.7026 -3.7026 -3.4777 -3.4777 -3.4634 -3.4634 -3.3135 -3.3135 -3.1781 -3.1781 -3.1648 -3.1648 -3.0929 -3.0929 -3.0304 -3.0304 -2.9777 -2.9777 -2.9285 -2.9285 -2.8690 -2.8690 -2.7894 -2.7894 -2.7271 -2.7271 -2.6949 -2.6949 -2.6854 -2.6854 k = 0.3474-0.4810 0.0000 ( 11118 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7840 -18.7840 -18.3727 -18.3727 -18.3678 -18.3678 -18.3232 -18.3232 -18.1997 -18.1997 -18.1815 -18.1815 -15.7310 -15.7310 -15.7304 -15.7304 -4.9744 -4.9744 -4.5452 -4.5452 -4.5026 -4.5026 -4.1640 -4.1640 -4.1359 -4.1359 -4.1091 -4.1091 -3.9493 -3.9493 -3.8413 -3.8413 -3.7505 -3.7505 -3.7127 -3.7127 -3.4792 -3.4792 -3.4644 -3.4644 -3.3095 -3.3095 -3.1814 -3.1814 -3.1732 -3.1732 -3.0822 -3.0822 -3.0303 -3.0303 -2.9722 -2.9722 -2.9167 -2.9167 -2.8683 -2.8683 -2.7814 -2.7814 -2.7242 -2.7242 -2.6882 -2.6882 -2.6807 -2.6807 k = 0.3362-0.4655 0.0000 ( 11118 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7855 -18.7855 -18.3711 -18.3711 -18.3683 -18.3683 -18.3243 -18.3243 -18.1982 -18.1982 -18.1815 -18.1815 -15.7322 -15.7322 -15.7285 -15.7285 -4.9773 -4.9773 -4.5466 -4.5466 -4.4946 -4.4946 -4.1587 -4.1587 -4.1485 -4.1485 -4.1179 -4.1179 -3.9632 -3.9632 -3.8374 -3.8374 -3.7715 -3.7715 -3.7061 -3.7061 -3.4802 -3.4802 -3.4627 -3.4627 -3.3060 -3.3060 -3.1881 -3.1881 -3.1779 -3.1779 -3.0721 -3.0721 -3.0305 -3.0305 -2.9674 -2.9674 -2.9050 -2.9050 -2.8674 -2.8674 -2.7732 -2.7732 -2.7213 -2.7213 -2.6820 -2.6820 -2.6752 -2.6752 k = 0.3250-0.4500 0.0000 ( 11112 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7870 -18.7870 -18.3696 -18.3696 -18.3687 -18.3687 -18.3254 -18.3254 -18.1967 -18.1967 -18.1815 -18.1815 -15.7334 -15.7334 -15.7266 -15.7266 -4.9804 -4.9804 -4.5469 -4.5469 -4.4868 -4.4868 -4.1629 -4.1629 -4.1540 -4.1540 -4.1259 -4.1259 -3.9780 -3.9780 -3.8347 -3.8347 -3.7960 -3.7960 -3.6948 -3.6948 -3.4807 -3.4807 -3.4577 -3.4577 -3.3032 -3.3032 -3.1976 -3.1976 -3.1792 -3.1792 -3.0629 -3.0629 -3.0308 -3.0308 -2.9632 -2.9632 -2.8939 -2.8939 -2.8660 -2.8660 -2.7650 -2.7650 -2.7182 -2.7182 -2.6763 -2.6763 -2.6689 -2.6689 k = 0.3138-0.4345 0.0000 ( 11114 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7887 -18.7887 -18.3693 -18.3693 -18.3676 -18.3676 -18.3265 -18.3265 -18.1952 -18.1952 -18.1815 -18.1815 -15.7346 -15.7346 -15.7246 -15.7246 -4.9837 -4.9837 -4.5463 -4.5463 -4.4793 -4.4793 -4.1744 -4.1744 -4.1571 -4.1571 -4.1303 -4.1303 -3.9935 -3.9935 -3.8377 -3.8377 -3.8156 -3.8156 -3.6829 -3.6829 -3.4809 -3.4809 -3.4490 -3.4490 -3.3014 -3.3014 -3.2079 -3.2079 -3.1792 -3.1792 -3.0554 -3.0554 -3.0304 -3.0304 -2.9593 -2.9593 -2.8840 -2.8840 -2.8634 -2.8634 -2.7568 -2.7568 -2.7150 -2.7150 -2.6709 -2.6709 -2.6621 -2.6621 k = 0.3026-0.4190 0.0000 ( 11106 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7905 -18.7905 -18.3695 -18.3695 -18.3659 -18.3659 -18.3277 -18.3277 -18.1937 -18.1937 -18.1815 -18.1815 -15.7359 -15.7359 -15.7226 -15.7226 -4.9871 -4.9871 -4.5448 -4.5448 -4.4723 -4.4723 -4.1854 -4.1854 -4.1659 -4.1659 -4.1303 -4.1303 -4.0100 -4.0100 -3.8563 -3.8563 -3.8197 -3.8197 -3.6714 -3.6714 -3.4811 -3.4811 -3.4366 -3.4366 -3.3007 -3.3007 -3.2182 -3.2182 -3.1784 -3.1784 -3.0510 -3.0510 -3.0279 -3.0279 -2.9556 -2.9556 -2.8765 -2.8765 -2.8585 -2.8585 -2.7488 -2.7488 -2.7117 -2.7117 -2.6656 -2.6656 -2.6553 -2.6553 k = 0.2914-0.4035 0.0000 ( 11104 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7923 -18.7923 -18.3697 -18.3697 -18.3642 -18.3642 -18.3288 -18.3288 -18.1923 -18.1923 -18.1815 -18.1815 -15.7373 -15.7373 -15.7204 -15.7204 -4.9907 -4.9907 -4.5422 -4.5422 -4.4660 -4.4660 -4.1955 -4.1955 -4.1777 -4.1777 -4.1284 -4.1284 -4.0272 -4.0272 -3.8804 -3.8804 -3.8180 -3.8180 -3.6605 -3.6605 -3.4810 -3.4810 -3.4209 -3.4209 -3.3010 -3.3010 -3.2284 -3.2284 -3.1770 -3.1770 -3.0503 -3.0503 -3.0224 -3.0224 -2.9521 -2.9521 -2.8720 -2.8720 -2.8507 -2.8507 -2.7410 -2.7410 -2.7081 -2.7081 -2.6604 -2.6604 -2.6486 -2.6486 k = 0.2802-0.3879 0.0000 ( 11100 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7942 -18.7942 -18.3698 -18.3698 -18.3625 -18.3625 -18.3300 -18.3300 -18.1908 -18.1908 -18.1815 -18.1815 -15.7386 -15.7386 -15.7183 -15.7183 -4.9945 -4.9945 -4.5387 -4.5387 -4.4608 -4.4608 -4.2046 -4.2046 -4.1905 -4.1905 -4.1262 -4.1262 -4.0453 -4.0453 -3.9046 -3.9046 -3.8156 -3.8156 -3.6504 -3.6504 -3.4807 -3.4807 -3.4026 -3.4026 -3.3023 -3.3023 -3.2382 -3.2382 -3.1752 -3.1752 -3.0521 -3.0521 -3.0150 -3.0150 -2.9487 -2.9487 -2.8694 -2.8694 -2.8410 -2.8410 -2.7338 -2.7338 -2.7042 -2.7042 -2.6554 -2.6554 -2.6421 -2.6421 k = 0.2690-0.3724 0.0000 ( 11092 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8211 -40.8211 -40.8166 -40.8166 -18.7962 -18.7962 -18.3697 -18.3697 -18.3607 -18.3607 -18.3312 -18.3312 -18.1894 -18.1894 -18.1815 -18.1815 -15.7400 -15.7400 -15.7161 -15.7161 -4.9985 -4.9985 -4.5344 -4.5344 -4.4568 -4.4568 -4.2132 -4.2132 -4.2031 -4.2031 -4.1244 -4.1244 -4.0640 -4.0640 -3.9278 -3.9278 -3.8133 -3.8133 -3.6408 -3.6408 -3.4800 -3.4800 -3.3824 -3.3824 -3.3045 -3.3045 -3.2474 -3.2474 -3.1733 -3.1733 -3.0553 -3.0553 -3.0068 -3.0068 -2.9453 -2.9453 -2.8674 -2.8674 -2.8307 -2.8307 -2.7270 -2.7270 -2.6999 -2.6999 -2.6505 -2.6505 -2.6359 -2.6359 k = 0.2578-0.3569 0.0000 ( 11093 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8211 -40.8211 -40.8166 -40.8166 -18.7983 -18.7983 -18.3696 -18.3696 -18.3590 -18.3590 -18.3323 -18.3323 -18.1881 -18.1881 -18.1815 -18.1815 -15.7414 -15.7414 -15.7139 -15.7139 -5.0027 -5.0027 -4.5291 -4.5291 -4.4541 -4.4541 -4.2232 -4.2232 -4.2129 -4.2129 -4.1232 -4.1232 -4.0831 -4.0831 -3.9499 -3.9499 -3.8114 -3.8114 -3.6318 -3.6318 -3.4791 -3.4791 -3.3614 -3.3614 -3.3074 -3.3074 -3.2556 -3.2556 -3.1713 -3.1713 -3.0592 -3.0592 -2.9982 -2.9982 -2.9418 -2.9418 -2.8658 -2.8658 -2.8202 -2.8202 -2.7210 -2.7210 -2.6951 -2.6951 -2.6458 -2.6458 -2.6300 -2.6300 k = 0.2466-0.3414 0.0000 ( 11093 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8211 -40.8211 -40.8166 -40.8166 -18.8004 -18.8004 -18.3694 -18.3694 -18.3574 -18.3574 -18.3333 -18.3333 -18.1867 -18.1867 -18.1814 -18.1814 -15.7429 -15.7429 -15.7117 -15.7117 -5.0071 -5.0071 -4.5231 -4.5231 -4.4529 -4.4529 -4.2355 -4.2355 -4.2191 -4.2191 -4.1229 -4.1229 -4.1022 -4.1022 -3.9704 -3.9704 -3.8098 -3.8098 -3.6232 -3.6232 -3.4778 -3.4778 -3.3412 -3.3412 -3.3104 -3.3104 -3.2621 -3.2621 -3.1693 -3.1693 -3.0634 -3.0634 -2.9891 -2.9891 -2.9384 -2.9384 -2.8643 -2.8643 -2.8098 -2.8098 -2.7155 -2.7155 -2.6899 -2.6899 -2.6414 -2.6414 -2.6245 -2.6245 k = 0.2353-0.3259 0.0000 ( 11103 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8026 -18.8026 -18.3690 -18.3690 -18.3559 -18.3559 -18.3342 -18.3342 -18.1855 -18.1855 -18.1814 -18.1814 -15.7443 -15.7443 -15.7095 -15.7095 -5.0117 -5.0117 -4.5163 -4.5163 -4.4531 -4.4531 -4.2484 -4.2484 -4.2233 -4.2233 -4.1270 -4.1270 -4.1173 -4.1173 -3.9893 -3.9893 -3.8085 -3.8085 -3.6152 -3.6152 -3.4761 -3.4761 -3.3260 -3.3260 -3.3117 -3.3117 -3.2654 -3.2654 -3.1676 -3.1676 -3.0677 -3.0677 -2.9796 -2.9796 -2.9348 -2.9348 -2.8629 -2.8629 -2.7994 -2.7994 -2.7106 -2.7106 -2.6844 -2.6844 -2.6373 -2.6373 -2.6194 -2.6194 k = 0.2241-0.3103 0.0000 ( 11105 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8048 -18.8048 -18.3686 -18.3686 -18.3546 -18.3546 -18.3350 -18.3350 -18.1842 -18.1842 -18.1813 -18.1813 -15.7458 -15.7458 -15.7073 -15.7073 -5.0166 -5.0166 -4.5088 -4.5088 -4.4547 -4.4547 -4.2611 -4.2611 -4.2271 -4.2271 -4.1426 -4.1426 -4.1205 -4.1205 -4.0065 -4.0065 -3.8074 -3.8074 -3.6080 -3.6080 -3.4742 -3.4742 -3.3239 -3.3239 -3.3067 -3.3067 -3.2620 -3.2620 -3.1661 -3.1661 -3.0718 -3.0718 -2.9695 -2.9695 -2.9313 -2.9313 -2.8616 -2.8616 -2.7892 -2.7892 -2.7062 -2.7062 -2.6787 -2.6787 -2.6335 -2.6335 -2.6148 -2.6148 k = 0.2129-0.2948 0.0000 ( 11115 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8070 -18.8070 -18.3681 -18.3681 -18.3535 -18.3535 -18.3355 -18.3355 -18.1831 -18.1831 -18.1813 -18.1813 -15.7472 -15.7472 -15.7051 -15.7051 -5.0216 -5.0216 -4.5008 -4.5008 -4.4575 -4.4575 -4.2733 -4.2733 -4.2320 -4.2320 -4.1588 -4.1588 -4.1218 -4.1218 -4.0219 -4.0219 -3.8065 -3.8065 -3.6016 -3.6016 -3.4719 -3.4719 -3.3276 -3.3276 -3.3041 -3.3041 -3.2511 -3.2511 -3.1649 -3.1649 -3.0754 -3.0754 -2.9585 -2.9585 -2.9276 -2.9276 -2.8604 -2.8604 -2.7792 -2.7792 -2.7021 -2.7021 -2.6730 -2.6730 -2.6301 -2.6301 -2.6105 -2.6105 k = 0.2017-0.2793 0.0000 ( 11107 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8092 -18.8092 -18.3675 -18.3675 -18.3527 -18.3527 -18.3358 -18.3358 -18.1819 -18.1819 -18.1812 -18.1812 -15.7486 -15.7486 -15.7029 -15.7029 -5.0267 -5.0267 -4.4922 -4.4922 -4.4611 -4.4611 -4.2848 -4.2848 -4.2395 -4.2395 -4.1720 -4.1720 -4.1232 -4.1232 -4.0353 -4.0353 -3.8057 -3.8057 -3.5962 -3.5962 -3.4693 -3.4693 -3.3323 -3.3323 -3.3050 -3.3050 -3.2371 -3.2371 -3.1637 -3.1637 -3.0781 -3.0781 -2.9467 -2.9467 -2.9240 -2.9240 -2.8594 -2.8594 -2.7695 -2.7695 -2.6982 -2.6982 -2.6674 -2.6674 -2.6271 -2.6271 -2.6067 -2.6067 k = 0.1905-0.2638 0.0000 ( 11099 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8113 -18.8113 -18.3668 -18.3668 -18.3523 -18.3523 -18.3357 -18.3357 -18.1811 -18.1811 -18.1808 -18.1808 -15.7500 -15.7500 -15.7008 -15.7008 -5.0321 -5.0321 -4.4836 -4.4836 -4.4650 -4.4650 -4.2954 -4.2954 -4.2508 -4.2508 -4.1812 -4.1812 -4.1251 -4.1251 -4.0464 -4.0464 -3.8050 -3.8050 -3.5921 -3.5921 -3.4666 -3.4666 -3.3374 -3.3374 -3.3065 -3.3065 -3.2238 -3.2238 -3.1628 -3.1628 -3.0796 -3.0796 -2.9338 -2.9338 -2.9203 -2.9203 -2.8586 -2.8586 -2.7600 -2.7600 -2.6944 -2.6944 -2.6620 -2.6620 -2.6244 -2.6244 -2.6032 -2.6032 k = 0.1793-0.2483 0.0000 ( 11093 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8211 -40.8211 -40.8166 -40.8166 -18.8135 -18.8135 -18.3661 -18.3661 -18.3522 -18.3522 -18.3353 -18.3353 -18.1811 -18.1811 -18.1798 -18.1798 -15.7514 -15.7514 -15.6988 -15.6988 -5.0375 -5.0375 -4.4769 -4.4769 -4.4671 -4.4671 -4.3050 -4.3050 -4.2657 -4.2657 -4.1871 -4.1871 -4.1275 -4.1275 -4.0551 -4.0551 -3.8043 -3.8043 -3.5893 -3.5893 -3.4637 -3.4637 -3.3428 -3.3428 -3.3074 -3.3074 -3.2132 -3.2132 -3.1619 -3.1619 -3.0795 -3.0795 -2.9204 -2.9204 -2.9161 -2.9161 -2.8579 -2.8579 -2.7510 -2.7510 -2.6907 -2.6907 -2.6569 -2.6569 -2.6221 -2.6221 -2.6001 -2.6001 k = 0.1681-0.2328 0.0000 ( 11091 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8211 -40.8211 -40.8166 -40.8166 -18.8156 -18.8156 -18.3654 -18.3654 -18.3524 -18.3524 -18.3346 -18.3346 -18.1810 -18.1810 -18.1789 -18.1789 -15.7527 -15.7527 -15.6968 -15.6968 -5.0430 -5.0430 -4.4782 -4.4782 -4.4613 -4.4613 -4.3138 -4.3138 -4.2826 -4.2826 -4.1913 -4.1913 -4.1303 -4.1303 -4.0612 -4.0612 -3.8035 -3.8035 -3.5880 -3.5880 -3.4606 -3.4606 -3.3483 -3.3483 -3.3070 -3.3070 -3.2058 -3.2058 -3.1612 -3.1612 -3.0777 -3.0777 -2.9137 -2.9137 -2.9046 -2.9046 -2.8572 -2.8572 -2.7424 -2.7424 -2.6869 -2.6869 -2.6522 -2.6522 -2.6201 -2.6201 -2.5974 -2.5974 k = 0.1569-0.2172 0.0000 ( 11093 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8211 -40.8211 -40.8166 -40.8166 -18.8177 -18.8177 -18.3646 -18.3646 -18.3528 -18.3528 -18.3337 -18.3337 -18.1809 -18.1809 -18.1780 -18.1780 -15.7540 -15.7540 -15.6949 -15.6949 -5.0485 -5.0485 -4.4828 -4.4828 -4.4520 -4.4520 -4.3216 -4.3216 -4.3002 -4.3002 -4.1952 -4.1952 -4.1335 -4.1335 -4.0647 -4.0647 -3.8027 -3.8027 -3.5882 -3.5882 -3.4576 -3.4576 -3.3541 -3.3541 -3.3052 -3.3052 -3.2017 -3.2017 -3.1606 -3.1606 -3.0742 -3.0742 -2.9101 -2.9101 -2.8901 -2.8901 -2.8559 -2.8559 -2.7343 -2.7343 -2.6831 -2.6831 -2.6479 -2.6479 -2.6183 -2.6183 -2.5950 -2.5950 k = 0.1457-0.2017 0.0000 ( 11105 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8197 -18.8197 -18.3638 -18.3638 -18.3534 -18.3534 -18.3327 -18.3327 -18.1809 -18.1809 -18.1772 -18.1772 -15.7553 -15.7553 -15.6931 -15.6931 -5.0540 -5.0540 -4.4877 -4.4877 -4.4425 -4.4425 -4.3291 -4.3291 -4.3171 -4.3171 -4.1996 -4.1996 -4.1372 -4.1372 -4.0656 -4.0656 -3.8018 -3.8018 -3.5897 -3.5897 -3.4545 -3.4545 -3.3600 -3.3600 -3.3020 -3.3020 -3.2004 -3.2004 -3.1602 -3.1602 -3.0696 -3.0696 -2.9067 -2.9067 -2.8777 -2.8777 -2.8519 -2.8519 -2.7266 -2.7266 -2.6792 -2.6792 -2.6441 -2.6441 -2.6167 -2.6167 -2.5929 -2.5929 k = 0.1345-0.1862 0.0000 ( 11113 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8216 -18.8216 -18.3630 -18.3630 -18.3541 -18.3541 -18.3315 -18.3315 -18.1808 -18.1808 -18.1764 -18.1764 -15.7564 -15.7564 -15.6914 -15.6914 -5.0595 -5.0595 -4.4925 -4.4925 -4.4332 -4.4332 -4.3402 -4.3402 -4.3285 -4.3285 -4.2047 -4.2047 -4.1414 -4.1414 -4.0643 -4.0643 -3.8008 -3.8008 -3.5924 -3.5924 -3.4515 -3.4515 -3.3661 -3.3661 -3.2976 -3.2976 -3.2011 -3.2011 -3.1599 -3.1599 -3.0642 -3.0642 -2.9036 -2.9036 -2.8713 -2.8713 -2.8421 -2.8421 -2.7195 -2.7195 -2.6753 -2.6753 -2.6408 -2.6408 -2.6153 -2.6153 -2.5911 -2.5911 k = 0.1233-0.1707 0.0000 ( 11115 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8234 -18.8234 -18.3623 -18.3623 -18.3548 -18.3548 -18.3304 -18.3304 -18.1807 -18.1807 -18.1757 -18.1757 -15.7575 -15.7575 -15.6897 -15.6897 -5.0648 -5.0648 -4.4969 -4.4969 -4.4246 -4.4246 -4.3559 -4.3559 -4.3331 -4.3331 -4.2103 -4.2103 -4.1460 -4.1460 -4.0613 -4.0613 -3.7998 -3.7998 -3.5962 -3.5962 -3.4485 -3.4485 -3.3721 -3.3721 -3.2922 -3.2922 -3.2033 -3.2033 -3.1597 -3.1597 -3.0584 -3.0584 -2.9006 -2.9006 -2.8700 -2.8700 -2.8275 -2.8275 -2.7130 -2.7130 -2.6715 -2.6715 -2.6379 -2.6379 -2.6140 -2.6140 -2.5896 -2.5896 k = 0.1121-0.1552 0.0000 ( 11115 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8250 -18.8250 -18.3615 -18.3615 -18.3556 -18.3556 -18.3293 -18.3293 -18.1807 -18.1807 -18.1751 -18.1751 -15.7586 -15.7586 -15.6882 -15.6882 -5.0699 -5.0699 -4.5009 -4.5009 -4.4172 -4.4172 -4.3718 -4.3718 -4.3345 -4.3345 -4.2163 -4.2163 -4.1510 -4.1510 -4.0571 -4.0571 -3.7986 -3.7986 -3.6007 -3.6007 -3.4455 -3.4455 -3.3782 -3.3782 -3.2861 -3.2861 -3.2064 -3.2064 -3.1594 -3.1594 -3.0526 -3.0526 -2.8978 -2.8978 -2.8708 -2.8708 -2.8116 -2.8116 -2.7071 -2.7071 -2.6677 -2.6677 -2.6355 -2.6355 -2.6128 -2.6128 -2.5883 -2.5883 k = 0.1009-0.1397 0.0000 ( 11115 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8266 -18.8266 -18.3608 -18.3608 -18.3563 -18.3563 -18.3282 -18.3282 -18.1806 -18.1806 -18.1745 -18.1745 -15.7595 -15.7595 -15.6868 -15.6868 -5.0747 -5.0747 -4.5042 -4.5042 -4.4120 -4.4120 -4.3864 -4.3864 -4.3335 -4.3335 -4.2224 -4.2224 -4.1565 -4.1565 -4.0521 -4.0521 -3.7973 -3.7973 -3.6058 -3.6058 -3.4427 -3.4427 -3.3840 -3.3840 -3.2797 -3.2797 -3.2100 -3.2100 -3.1591 -3.1591 -3.0470 -3.0470 -2.8954 -2.8954 -2.8725 -2.8725 -2.7958 -2.7958 -2.7017 -2.7017 -2.6641 -2.6641 -2.6333 -2.6333 -2.6116 -2.6116 -2.5872 -2.5872 k = 0.0897-0.1241 0.0000 ( 11127 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8280 -18.8280 -18.3601 -18.3601 -18.3570 -18.3570 -18.3271 -18.3271 -18.1806 -18.1806 -18.1740 -18.1740 -15.7604 -15.7604 -15.6856 -15.6856 -5.0792 -5.0792 -4.5069 -4.5069 -4.4114 -4.4114 -4.3971 -4.3971 -4.3300 -4.3300 -4.2283 -4.2283 -4.1624 -4.1624 -4.0468 -4.0468 -3.7959 -3.7959 -3.6112 -3.6112 -3.4401 -3.4401 -3.3897 -3.3897 -3.2731 -3.2731 -3.2139 -3.2139 -3.1588 -3.1588 -3.0415 -3.0415 -2.8933 -2.8933 -2.8748 -2.8748 -2.7809 -2.7809 -2.6968 -2.6968 -2.6607 -2.6607 -2.6312 -2.6312 -2.6106 -2.6106 -2.5862 -2.5862 k = 0.0784-0.1086 0.0000 ( 11121 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8293 -18.8293 -18.3595 -18.3595 -18.3576 -18.3576 -18.3262 -18.3262 -18.1805 -18.1805 -18.1735 -18.1735 -15.7612 -15.7612 -15.6844 -15.6844 -5.0834 -5.0834 -4.5089 -4.5089 -4.4199 -4.4199 -4.3994 -4.3994 -4.3244 -4.3244 -4.2338 -4.2338 -4.1686 -4.1686 -4.0414 -4.0414 -3.7944 -3.7944 -3.6166 -3.6166 -3.4377 -3.4377 -3.3950 -3.3950 -3.2666 -3.2666 -3.2177 -3.2177 -3.1584 -3.1584 -3.0364 -3.0364 -2.8917 -2.8917 -2.8770 -2.8770 -2.7673 -2.7673 -2.6925 -2.6925 -2.6578 -2.6578 -2.6291 -2.6291 -2.6098 -2.6098 -2.5855 -2.5855 k = 0.0672-0.0931 0.0000 ( 11123 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8305 -18.8305 -18.3591 -18.3591 -18.3581 -18.3581 -18.3254 -18.3254 -18.1805 -18.1805 -18.1731 -18.1731 -15.7619 -15.7619 -15.6835 -15.6835 -5.0870 -5.0870 -4.5102 -4.5102 -4.4312 -4.4312 -4.3989 -4.3989 -4.3173 -4.3173 -4.2389 -4.2389 -4.1752 -4.1752 -4.0363 -4.0363 -3.7929 -3.7929 -3.6219 -3.6219 -3.4354 -3.4354 -3.3999 -3.3999 -3.2605 -3.2605 -3.2214 -3.2214 -3.1580 -3.1580 -3.0316 -3.0316 -2.8908 -2.8908 -2.8790 -2.8790 -2.7552 -2.7552 -2.6887 -2.6887 -2.6553 -2.6553 -2.6270 -2.6270 -2.6092 -2.6092 -2.5849 -2.5849 k = 0.0560-0.0776 0.0000 ( 11127 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8314 -18.8314 -18.3590 -18.3590 -18.3582 -18.3582 -18.3246 -18.3246 -18.1805 -18.1805 -18.1728 -18.1728 -15.7625 -15.7625 -15.6826 -15.6826 -5.0903 -5.0903 -4.5107 -4.5107 -4.4421 -4.4421 -4.3986 -4.3986 -4.3092 -4.3092 -4.2433 -4.2433 -4.1820 -4.1820 -4.0316 -4.0316 -3.7914 -3.7914 -3.6269 -3.6269 -3.4334 -3.4334 -3.4043 -3.4043 -3.2549 -3.2549 -3.2248 -3.2248 -3.1576 -3.1576 -3.0272 -3.0272 -2.8910 -2.8910 -2.8803 -2.8803 -2.7449 -2.7449 -2.6856 -2.6856 -2.6531 -2.6531 -2.6247 -2.6247 -2.6088 -2.6088 -2.5844 -2.5844 k = 0.0448-0.0621 0.0000 ( 11119 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8323 -18.8323 -18.3593 -18.3593 -18.3579 -18.3579 -18.3240 -18.3240 -18.1804 -18.1804 -18.1725 -18.1725 -15.7630 -15.7630 -15.6819 -15.6819 -5.0930 -5.0930 -4.5105 -4.5105 -4.4519 -4.4519 -4.3985 -4.3985 -4.3008 -4.3008 -4.2470 -4.2470 -4.1888 -4.1888 -4.0276 -4.0276 -3.7900 -3.7900 -3.6312 -3.6312 -3.4317 -3.4317 -3.4082 -3.4082 -3.2500 -3.2500 -3.2278 -3.2278 -3.1572 -3.1572 -3.0234 -3.0234 -2.8922 -2.8922 -2.8806 -2.8806 -2.7364 -2.7364 -2.6832 -2.6832 -2.6513 -2.6513 -2.6223 -2.6223 -2.6087 -2.6087 -2.5840 -2.5840 k = 0.0336-0.0466 0.0000 ( 11107 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8329 -18.8329 -18.3596 -18.3596 -18.3576 -18.3576 -18.3236 -18.3236 -18.1804 -18.1804 -18.1723 -18.1723 -15.7633 -15.7633 -15.6814 -15.6814 -5.0951 -5.0951 -4.5097 -4.5097 -4.4601 -4.4601 -4.3986 -4.3986 -4.2928 -4.2928 -4.2500 -4.2500 -4.1952 -4.1952 -4.0243 -4.0243 -3.7888 -3.7888 -3.6349 -3.6349 -3.4302 -3.4302 -3.4114 -3.4114 -3.2458 -3.2458 -3.2304 -3.2304 -3.1569 -3.1569 -3.0202 -3.0202 -2.8938 -2.8938 -2.8805 -2.8805 -2.7298 -2.7298 -2.6815 -2.6815 -2.6498 -2.6498 -2.6200 -2.6200 -2.6090 -2.6090 -2.5837 -2.5837 k = 0.0224-0.0310 0.0000 ( 11105 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8333 -18.8333 -18.3599 -18.3599 -18.3574 -18.3574 -18.3232 -18.3232 -18.1804 -18.1804 -18.1721 -18.1721 -15.7636 -15.7636 -15.6810 -15.6810 -5.0966 -5.0966 -4.5086 -4.5086 -4.4667 -4.4667 -4.3987 -4.3987 -4.2860 -4.2860 -4.2522 -4.2522 -4.2008 -4.2008 -4.0218 -4.0218 -3.7878 -3.7878 -3.6376 -3.6376 -3.4290 -3.4290 -3.4138 -3.4138 -3.2424 -3.2424 -3.2327 -3.2327 -3.1566 -3.1566 -3.0178 -3.0178 -2.8953 -2.8953 -2.8801 -2.8801 -2.7250 -2.7250 -2.6804 -2.6804 -2.6486 -2.6486 -2.6179 -2.6179 -2.6095 -2.6095 -2.5835 -2.5835 k = 0.0112-0.0155 0.0000 ( 11095 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8211 -40.8211 -40.8166 -40.8166 -18.8336 -18.8336 -18.3600 -18.3600 -18.3572 -18.3572 -18.3230 -18.3230 -18.1804 -18.1804 -18.1720 -18.1720 -15.7638 -15.7638 -15.6807 -15.6807 -5.0976 -5.0976 -4.5076 -4.5076 -4.4709 -4.4709 -4.3989 -4.3989 -4.2812 -4.2812 -4.2536 -4.2536 -4.2046 -4.2046 -4.0203 -4.0203 -3.7872 -3.7872 -3.6393 -3.6393 -3.4282 -3.4282 -3.4154 -3.4154 -3.2399 -3.2399 -3.2345 -3.2345 -3.1564 -3.1564 -3.0163 -3.0163 -2.8963 -2.8963 -2.8799 -2.8799 -2.7222 -2.7222 -2.6798 -2.6798 -2.6479 -2.6479 -2.6163 -2.6163 -2.6100 -2.6100 -2.5834 -2.5834 k = 0.0000 0.0000 0.0000 ( 11097 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8211 -40.8211 -40.8166 -40.8166 -18.8337 -18.8337 -18.3600 -18.3600 -18.3572 -18.3572 -18.3229 -18.3229 -18.1804 -18.1804 -18.1720 -18.1720 -15.7638 -15.7638 -15.6806 -15.6806 -5.0979 -5.0979 -4.5072 -4.5072 -4.4725 -4.4725 -4.3989 -4.3989 -4.2795 -4.2795 -4.2540 -4.2540 -4.2061 -4.2061 -4.0198 -4.0198 -3.7870 -3.7870 -3.6399 -3.6399 -3.4279 -3.4279 -3.4159 -3.4159 -3.2386 -3.2386 -3.2355 -3.2355 -3.1564 -3.1564 -3.0157 -3.0157 -2.8967 -2.8967 -2.8798 -2.8798 -2.7212 -2.7212 -2.6796 -2.6796 -2.6476 -2.6476 -2.6157 -2.6157 -2.6103 -2.6103 -2.5833 -2.5833 k = 0.0000 0.0000 0.0000 ( 11097 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8211 -40.8211 -40.8166 -40.8166 -18.8337 -18.8337 -18.3600 -18.3600 -18.3572 -18.3572 -18.3229 -18.3229 -18.1804 -18.1804 -18.1720 -18.1720 -15.7638 -15.7638 -15.6806 -15.6806 -5.0979 -5.0979 -4.5072 -4.5072 -4.4725 -4.4725 -4.3989 -4.3989 -4.2795 -4.2795 -4.2540 -4.2540 -4.2061 -4.2061 -4.0198 -4.0198 -3.7870 -3.7870 -3.6399 -3.6399 -3.4279 -3.4279 -3.4159 -3.4159 -3.2386 -3.2386 -3.2355 -3.2355 -3.1564 -3.1564 -3.0157 -3.0157 -2.8967 -2.8967 -2.8798 -2.8798 -2.7212 -2.7212 -2.6796 -2.6796 -2.6476 -2.6476 -2.6157 -2.6157 -2.6103 -2.6103 -2.5833 -2.5833 k = 0.0179-0.0059-0.0008 ( 11100 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8211 -40.8211 -40.8166 -40.8166 -18.8336 -18.8336 -18.3600 -18.3600 -18.3572 -18.3572 -18.3230 -18.3230 -18.1804 -18.1804 -18.1721 -18.1721 -15.7638 -15.7638 -15.6807 -15.6807 -5.0976 -5.0976 -4.5073 -4.5073 -4.4715 -4.4715 -4.3989 -4.3989 -4.2813 -4.2813 -4.2527 -4.2527 -4.2052 -4.2052 -4.0199 -4.0199 -3.7870 -3.7870 -3.6402 -3.6402 -3.4281 -3.4281 -3.4151 -3.4151 -3.2394 -3.2394 -3.2343 -3.2343 -3.1564 -3.1564 -3.0163 -3.0163 -2.8968 -2.8968 -2.8799 -2.8799 -2.7220 -2.7220 -2.6798 -2.6798 -2.6480 -2.6480 -2.6162 -2.6162 -2.6106 -2.6106 -2.5834 -2.5834 k = 0.0357-0.0118-0.0015 ( 11107 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8333 -18.8333 -18.3599 -18.3599 -18.3573 -18.3573 -18.3232 -18.3232 -18.1804 -18.1804 -18.1722 -18.1722 -15.7637 -15.7637 -15.6809 -15.6809 -5.0968 -5.0968 -4.5073 -4.5073 -4.4688 -4.4688 -4.3987 -4.3987 -4.2860 -4.2860 -4.2495 -4.2495 -4.2028 -4.2028 -4.0201 -4.0201 -3.7871 -3.7871 -3.6410 -3.6410 -3.4285 -3.4285 -3.4130 -3.4130 -3.2408 -3.2408 -3.2317 -3.2317 -3.1565 -3.1565 -3.0180 -3.0180 -2.8969 -2.8969 -2.8804 -2.8804 -2.7245 -2.7245 -2.6802 -2.6802 -2.6490 -2.6490 -2.6176 -2.6176 -2.6111 -2.6111 -2.5835 -2.5835 k = 0.0536-0.0177-0.0023 ( 11113 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8328 -18.8328 -18.3596 -18.3596 -18.3575 -18.3575 -18.3236 -18.3236 -18.1805 -18.1805 -18.1724 -18.1724 -15.7635 -15.7635 -15.6813 -15.6813 -5.0954 -5.0954 -4.5072 -4.5072 -4.4645 -4.4645 -4.3984 -4.3984 -4.2922 -4.2922 -4.2452 -4.2452 -4.1995 -4.1995 -4.0202 -4.0202 -3.7874 -3.7874 -3.6422 -3.6422 -3.4289 -3.4289 -3.4099 -3.4099 -3.2424 -3.2424 -3.2280 -3.2280 -3.1566 -3.1566 -3.0209 -3.0209 -2.8972 -2.8972 -2.8809 -2.8809 -2.7286 -2.7286 -2.6811 -2.6811 -2.6507 -2.6507 -2.6198 -2.6198 -2.6119 -2.6119 -2.5837 -2.5837 k = 0.0714-0.0237-0.0031 ( 11117 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8321 -18.8321 -18.3594 -18.3594 -18.3577 -18.3577 -18.3240 -18.3240 -18.1805 -18.1805 -18.1726 -18.1726 -15.7632 -15.7632 -15.6818 -15.6818 -5.0936 -5.0936 -4.5067 -4.5067 -4.4589 -4.4589 -4.3979 -4.3979 -4.2988 -4.2988 -4.2403 -4.2403 -4.1959 -4.1959 -4.0201 -4.0201 -3.7878 -3.7878 -3.6435 -3.6435 -3.4291 -3.4291 -3.4061 -3.4061 -3.2442 -3.2442 -3.2233 -3.2233 -3.1567 -3.1567 -3.0248 -3.0248 -2.8978 -2.8978 -2.8815 -2.8815 -2.7347 -2.7347 -2.6826 -2.6826 -2.6529 -2.6529 -2.6224 -2.6224 -2.6128 -2.6128 -2.5842 -2.5842 k = 0.0893-0.0296-0.0039 ( 11121 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8313 -18.8313 -18.3591 -18.3591 -18.3580 -18.3580 -18.3246 -18.3246 -18.1807 -18.1807 -18.1729 -18.1729 -15.7628 -15.7628 -15.6825 -15.6825 -5.0912 -5.0912 -4.5056 -4.5056 -4.4525 -4.4525 -4.3971 -4.3971 -4.3054 -4.3054 -4.2349 -4.2349 -4.1926 -4.1926 -4.0195 -4.0195 -3.7885 -3.7885 -3.6447 -3.6447 -3.4291 -3.4291 -3.4020 -3.4020 -3.2463 -3.2463 -3.2177 -3.2177 -3.1568 -3.1568 -3.0298 -3.0298 -2.8987 -2.8987 -2.8821 -2.8821 -2.7429 -2.7429 -2.6849 -2.6849 -2.6555 -2.6555 -2.6251 -2.6251 -2.6139 -2.6139 -2.5850 -2.5850 k = 0.1071-0.0355-0.0046 ( 11117 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8302 -18.8302 -18.3591 -18.3591 -18.3580 -18.3580 -18.3252 -18.3252 -18.1810 -18.1810 -18.1731 -18.1731 -15.7623 -15.7623 -15.6833 -15.6833 -5.0884 -5.0884 -4.5041 -4.5041 -4.4454 -4.4454 -4.3960 -4.3960 -4.3113 -4.3113 -4.2290 -4.2290 -4.1902 -4.1902 -4.0183 -4.0183 -3.7895 -3.7895 -3.6455 -3.6455 -3.4290 -3.4290 -3.3974 -3.3974 -3.2486 -3.2486 -3.2114 -3.2114 -3.1569 -3.1569 -3.0357 -3.0357 -2.9000 -2.9000 -2.8824 -2.8824 -2.7536 -2.7536 -2.6878 -2.6878 -2.6583 -2.6583 -2.6277 -2.6277 -2.6153 -2.6153 -2.5859 -2.5859 k = 0.1250-0.0414-0.0054 ( 11125 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8290 -18.8290 -18.3595 -18.3595 -18.3576 -18.3576 -18.3258 -18.3258 -18.1815 -18.1815 -18.1732 -18.1732 -15.7618 -15.7618 -15.6842 -15.6842 -5.0852 -5.0852 -4.5021 -4.5021 -4.4379 -4.4379 -4.3946 -4.3946 -4.3161 -4.3161 -4.2228 -4.2228 -4.1890 -4.1890 -4.0164 -4.0164 -3.7909 -3.7909 -3.6455 -3.6455 -3.4290 -3.4290 -3.3927 -3.3927 -3.2512 -3.2512 -3.2045 -3.2045 -3.1571 -3.1571 -3.0424 -3.0424 -2.9016 -2.9016 -2.8826 -2.8826 -2.7669 -2.7669 -2.6913 -2.6913 -2.6610 -2.6610 -2.6302 -2.6302 -2.6170 -2.6170 -2.5868 -2.5868 k = 0.1429-0.0473-0.0062 ( 11119 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8277 -18.8277 -18.3602 -18.3602 -18.3571 -18.3571 -18.3263 -18.3263 -18.1822 -18.1822 -18.1732 -18.1732 -15.7611 -15.7611 -15.6853 -15.6853 -5.0816 -5.0816 -4.4999 -4.4999 -4.4302 -4.4302 -4.3929 -4.3929 -4.3192 -4.3192 -4.2163 -4.2163 -4.1890 -4.1890 -4.0137 -4.0137 -3.7926 -3.7926 -3.6447 -3.6447 -3.4291 -3.4291 -3.3879 -3.3879 -3.2538 -3.2538 -3.1972 -3.1972 -3.1572 -3.1572 -3.0497 -3.0497 -2.9036 -2.9036 -2.8827 -2.8827 -2.7827 -2.7827 -2.6950 -2.6950 -2.6638 -2.6638 -2.6326 -2.6326 -2.6193 -2.6193 -2.5877 -2.5877 k = 0.1607-0.0532-0.0069 ( 11118 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8262 -18.8262 -18.3611 -18.3611 -18.3565 -18.3565 -18.3268 -18.3268 -18.1831 -18.1831 -18.1731 -18.1731 -15.7604 -15.7604 -15.6865 -15.6865 -5.0778 -5.0778 -4.4978 -4.4978 -4.4228 -4.4228 -4.3908 -4.3908 -4.3201 -4.3201 -4.2099 -4.2099 -4.1900 -4.1900 -4.0105 -4.0105 -3.7943 -3.7943 -3.6429 -3.6429 -3.4295 -3.4295 -3.3831 -3.3831 -3.2566 -3.2566 -3.1899 -3.1899 -3.1574 -3.1574 -3.0573 -3.0573 -2.9058 -2.9058 -2.8826 -2.8826 -2.8008 -2.8008 -2.6989 -2.6989 -2.6666 -2.6666 -2.6352 -2.6352 -2.6221 -2.6221 -2.5884 -2.5884 k = 0.1786-0.0591-0.0077 ( 11128 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8246 -18.8246 -18.3622 -18.3622 -18.3559 -18.3559 -18.3272 -18.3272 -18.1842 -18.1842 -18.1729 -18.1729 -15.7597 -15.7597 -15.6878 -15.6878 -5.0736 -5.0736 -4.4960 -4.4960 -4.4156 -4.4156 -4.3885 -4.3885 -4.3181 -4.3181 -4.2043 -4.2043 -4.1912 -4.1912 -4.0069 -4.0069 -3.7959 -3.7959 -3.6401 -3.6401 -3.4304 -3.4304 -3.3783 -3.3783 -3.2593 -3.2593 -3.1828 -3.1828 -3.1578 -3.1578 -3.0649 -3.0649 -2.9082 -2.9082 -2.8826 -2.8826 -2.8208 -2.8208 -2.7029 -2.7029 -2.6696 -2.6696 -2.6379 -2.6379 -2.6254 -2.6254 -2.5888 -2.5888 k = 0.1964-0.0651-0.0085 ( 11129 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8228 -18.8228 -18.3635 -18.3635 -18.3553 -18.3553 -18.3274 -18.3274 -18.1855 -18.1855 -18.1727 -18.1727 -15.7588 -15.7588 -15.6892 -15.6892 -5.0693 -5.0693 -4.4950 -4.4950 -4.4089 -4.4089 -4.3858 -4.3858 -4.3130 -4.3130 -4.2018 -4.2018 -4.1901 -4.1901 -4.0035 -4.0035 -3.7969 -3.7969 -3.6365 -3.6365 -3.4319 -3.4319 -3.3737 -3.3737 -3.2620 -3.2620 -3.1765 -3.1765 -3.1583 -3.1583 -3.0720 -3.0720 -2.9109 -2.9109 -2.8827 -2.8827 -2.8423 -2.8423 -2.7067 -2.7067 -2.6728 -2.6728 -2.6411 -2.6411 -2.6290 -2.6290 -2.5889 -2.5889 k = 0.2143-0.0710-0.0092 ( 11131 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8210 -18.8210 -18.3649 -18.3649 -18.3547 -18.3547 -18.3274 -18.3274 -18.1869 -18.1869 -18.1723 -18.1723 -15.7579 -15.7579 -15.6906 -15.6906 -5.0647 -5.0647 -4.4951 -4.4951 -4.4027 -4.4027 -4.3828 -4.3828 -4.3048 -4.3048 -4.2033 -4.2033 -4.1853 -4.1853 -4.0005 -4.0005 -3.7971 -3.7971 -3.6322 -3.6322 -3.4341 -3.4341 -3.3696 -3.3696 -3.2646 -3.2646 -3.1718 -3.1718 -3.1584 -3.1584 -3.0781 -3.0781 -2.9138 -2.9138 -2.8829 -2.8829 -2.8645 -2.8645 -2.7106 -2.7106 -2.6763 -2.6763 -2.6448 -2.6448 -2.6328 -2.6328 -2.5886 -2.5886 k = 0.2321-0.0769-0.0100 ( 11125 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8192 -18.8192 -18.3665 -18.3665 -18.3542 -18.3542 -18.3272 -18.3272 -18.1884 -18.1884 -18.1719 -18.1719 -15.7569 -15.7569 -15.6922 -15.6922 -5.0600 -5.0600 -4.4965 -4.4965 -4.3969 -4.3969 -4.3791 -4.3791 -4.2939 -4.2939 -4.2060 -4.2060 -4.1795 -4.1795 -3.9982 -3.9982 -3.7960 -3.7960 -3.6274 -3.6274 -3.4370 -3.4370 -3.3662 -3.3662 -3.2670 -3.2670 -3.1702 -3.1702 -3.1570 -3.1570 -3.0830 -3.0830 -2.9176 -2.9176 -2.8882 -2.8882 -2.8816 -2.8816 -2.7143 -2.7143 -2.6800 -2.6800 -2.6494 -2.6494 -2.6363 -2.6363 -2.5881 -2.5881 k = 0.2500-0.0828-0.0108 ( 11126 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8172 -18.8172 -18.3683 -18.3683 -18.3537 -18.3537 -18.3268 -18.3268 -18.1900 -18.1900 -18.1715 -18.1715 -15.7558 -15.7558 -15.6938 -15.6938 -5.0553 -5.0553 -4.4993 -4.4993 -4.3915 -4.3915 -4.3746 -4.3746 -4.2811 -4.2811 -4.2079 -4.2079 -4.1738 -4.1738 -3.9969 -3.9969 -3.7934 -3.7934 -3.6224 -3.6224 -3.4408 -3.4408 -3.3640 -3.3640 -3.2692 -3.2692 -3.1715 -3.1715 -3.1540 -3.1540 -3.0866 -3.0866 -2.9243 -2.9243 -2.9065 -2.9065 -2.8828 -2.8828 -2.7181 -2.7181 -2.6840 -2.6840 -2.6546 -2.6546 -2.6396 -2.6396 -2.5874 -2.5874 k = 0.2679-0.0887-0.0116 ( 11125 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8153 -18.8153 -18.3701 -18.3701 -18.3532 -18.3532 -18.3263 -18.3263 -18.1917 -18.1917 -18.1711 -18.1711 -15.7547 -15.7547 -15.6955 -15.6955 -5.0505 -5.0505 -4.5033 -4.5033 -4.3867 -4.3867 -4.3692 -4.3692 -4.2677 -4.2677 -4.2075 -4.2075 -4.1686 -4.1686 -3.9966 -3.9966 -3.7892 -3.7892 -3.6174 -3.6174 -3.4453 -3.4453 -3.3636 -3.3636 -3.2713 -3.2713 -3.1739 -3.1739 -3.1508 -3.1508 -3.0892 -3.0892 -2.9394 -2.9394 -2.9165 -2.9165 -2.8832 -2.8832 -2.7219 -2.7219 -2.6883 -2.6883 -2.6602 -2.6602 -2.6425 -2.6425 -2.5865 -2.5865 k = 0.2857-0.0946-0.0123 ( 11125 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8134 -18.8134 -18.3720 -18.3720 -18.3528 -18.3528 -18.3255 -18.3255 -18.1934 -18.1934 -18.1707 -18.1707 -15.7535 -15.7535 -15.6973 -15.6973 -5.0457 -5.0457 -4.5084 -4.5084 -4.3825 -4.3825 -4.3629 -4.3629 -4.2561 -4.2561 -4.2026 -4.2026 -4.1643 -4.1643 -3.9970 -3.9970 -3.7834 -3.7834 -3.6126 -3.6126 -3.4507 -3.4507 -3.3658 -3.3658 -3.2729 -3.2729 -3.1763 -3.1763 -3.1479 -3.1479 -3.0913 -3.0913 -2.9584 -2.9584 -2.9213 -2.9213 -2.8836 -2.8836 -2.7258 -2.7258 -2.6930 -2.6930 -2.6659 -2.6659 -2.6453 -2.6453 -2.5855 -2.5855 k = 0.3036-0.1005-0.0131 ( 11124 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8115 -18.8115 -18.3740 -18.3740 -18.3524 -18.3524 -18.3247 -18.3247 -18.1951 -18.1951 -18.1702 -18.1702 -15.7523 -15.7523 -15.6991 -15.6991 -5.0409 -5.0409 -4.5143 -4.5143 -4.3790 -4.3790 -4.3557 -4.3557 -4.2485 -4.2485 -4.1913 -4.1913 -4.1609 -4.1609 -3.9979 -3.9979 -3.7763 -3.7763 -3.6082 -3.6082 -3.4570 -3.4570 -3.3714 -3.3714 -3.2737 -3.2737 -3.1779 -3.1779 -3.1455 -3.1455 -3.0933 -3.0933 -2.9763 -2.9763 -2.9251 -2.9251 -2.8839 -2.8839 -2.7299 -2.7299 -2.6981 -2.6981 -2.6712 -2.6712 -2.6479 -2.6479 -2.5845 -2.5845 k = 0.3214-0.1065-0.0139 ( 11114 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8096 -18.8096 -18.3759 -18.3759 -18.3521 -18.3521 -18.3237 -18.3237 -18.1968 -18.1968 -18.1698 -18.1698 -15.7511 -15.7511 -15.7008 -15.7008 -5.0362 -5.0362 -4.5207 -4.5207 -4.3763 -4.3763 -4.3477 -4.3477 -4.2447 -4.2447 -4.1752 -4.1752 -4.1574 -4.1574 -3.9990 -3.9990 -3.7680 -3.7680 -3.6042 -3.6042 -3.4643 -3.4643 -3.3810 -3.3810 -3.2731 -3.2731 -3.1790 -3.1790 -3.1431 -3.1431 -3.0956 -3.0956 -2.9918 -2.9918 -2.9288 -2.9288 -2.8841 -2.8841 -2.7343 -2.7343 -2.7034 -2.7034 -2.6759 -2.6759 -2.6504 -2.6504 -2.5835 -2.5835 k = 0.3393-0.1124-0.0146 ( 11114 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8079 -18.8079 -18.3778 -18.3778 -18.3518 -18.3518 -18.3227 -18.3227 -18.1985 -18.1985 -18.1694 -18.1694 -15.7498 -15.7498 -15.7026 -15.7026 -5.0317 -5.0317 -4.5273 -4.5273 -4.3743 -4.3743 -4.3391 -4.3391 -4.2428 -4.2428 -4.1649 -4.1649 -4.1457 -4.1457 -3.9998 -3.9998 -3.7588 -3.7588 -3.6009 -3.6009 -3.4727 -3.4727 -3.3944 -3.3944 -3.2707 -3.2707 -3.1802 -3.1802 -3.1407 -3.1407 -3.0979 -3.0979 -3.0045 -3.0045 -2.9326 -2.9326 -2.8842 -2.8842 -2.7391 -2.7391 -2.7087 -2.7087 -2.6798 -2.6798 -2.6529 -2.6529 -2.5826 -2.5826 k = 0.3571-0.1183-0.0154 ( 11113 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8062 -18.8062 -18.3797 -18.3797 -18.3516 -18.3516 -18.3216 -18.3216 -18.2001 -18.2001 -18.1691 -18.1691 -15.7485 -15.7485 -15.7043 -15.7043 -5.0274 -5.0274 -4.5340 -4.5340 -4.3730 -4.3730 -4.3300 -4.3300 -4.2414 -4.2414 -4.1648 -4.1648 -4.1233 -4.1233 -4.0002 -4.0002 -3.7490 -3.7490 -3.5982 -3.5982 -3.4824 -3.4824 -3.4109 -3.4109 -3.2664 -3.2664 -3.1822 -3.1822 -3.1384 -3.1384 -3.0995 -3.0995 -3.0143 -3.0143 -2.9368 -2.9368 -2.8841 -2.8841 -2.7443 -2.7443 -2.7139 -2.7139 -2.6829 -2.6829 -2.6553 -2.6553 -2.5816 -2.5816 k = 0.3750-0.1242-0.0162 ( 11115 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8047 -18.8047 -18.3814 -18.3814 -18.3514 -18.3514 -18.3206 -18.3206 -18.2016 -18.2016 -18.1687 -18.1687 -15.7473 -15.7473 -15.7060 -15.7060 -5.0234 -5.0234 -4.5405 -4.5405 -4.3723 -4.3723 -4.3205 -4.3205 -4.2402 -4.2402 -4.1680 -4.1680 -4.0981 -4.0981 -3.9999 -3.9999 -3.7388 -3.7388 -3.5962 -3.5962 -3.4941 -3.4941 -3.4289 -3.4289 -3.2604 -3.2604 -3.1856 -3.1856 -3.1372 -3.1372 -3.0990 -3.0990 -3.0215 -3.0215 -2.9416 -2.9416 -2.8838 -2.8838 -2.7499 -2.7499 -2.7185 -2.7185 -2.6852 -2.6852 -2.6576 -2.6576 -2.5808 -2.5808 k = 0.3929-0.1301-0.0169 ( 11113 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8033 -18.8033 -18.3829 -18.3829 -18.3512 -18.3512 -18.3196 -18.3196 -18.2030 -18.2030 -18.1685 -18.1685 -15.7461 -15.7461 -15.7076 -15.7076 -5.0197 -5.0197 -4.5467 -4.5467 -4.3720 -4.3720 -4.3107 -4.3107 -4.2388 -4.2388 -4.1732 -4.1732 -4.0723 -4.0723 -3.9989 -3.9989 -3.7284 -3.7284 -3.5948 -3.5948 -3.5082 -3.5082 -3.4464 -3.4464 -3.2529 -3.2529 -3.1898 -3.1898 -3.1387 -3.1387 -3.0951 -3.0951 -3.0264 -3.0264 -2.9471 -2.9471 -2.8833 -2.8833 -2.7554 -2.7554 -2.7227 -2.7227 -2.6869 -2.6869 -2.6597 -2.6597 -2.5800 -2.5800 k = 0.4107-0.1360-0.0177 ( 11109 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8021 -18.8021 -18.3843 -18.3843 -18.3511 -18.3511 -18.3187 -18.3187 -18.2042 -18.2042 -18.1682 -18.1682 -15.7449 -15.7449 -15.7091 -15.7091 -5.0165 -5.0165 -4.5522 -4.5522 -4.3720 -4.3720 -4.3009 -4.3009 -4.2373 -4.2373 -4.1798 -4.1798 -4.0473 -4.0473 -3.9971 -3.9971 -3.7180 -3.7180 -3.5942 -3.5942 -3.5253 -3.5253 -3.4617 -3.4617 -3.2442 -3.2442 -3.1945 -3.1945 -3.1432 -3.1432 -3.0883 -3.0883 -3.0293 -3.0293 -2.9536 -2.9536 -2.8828 -2.8828 -2.7607 -2.7607 -2.7262 -2.7262 -2.6881 -2.6881 -2.6617 -2.6617 -2.5794 -2.5794 k = 0.4286-0.1419-0.0185 ( 11114 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8011 -18.8011 -18.3854 -18.3854 -18.3509 -18.3509 -18.3179 -18.3179 -18.2053 -18.2053 -18.1680 -18.1680 -15.7439 -15.7439 -15.7104 -15.7104 -5.0137 -5.0137 -4.5569 -4.5569 -4.3721 -4.3721 -4.2912 -4.2912 -4.2355 -4.2355 -4.1875 -4.1875 -4.0247 -4.0247 -3.9944 -3.9944 -3.7075 -3.7075 -3.5949 -3.5949 -3.5440 -3.5440 -3.4739 -3.4739 -3.2346 -3.2346 -3.1989 -3.1989 -3.1499 -3.1499 -3.0803 -3.0803 -3.0299 -3.0299 -2.9610 -2.9610 -2.8823 -2.8823 -2.7653 -2.7653 -2.7292 -2.7292 -2.6888 -2.6888 -2.6635 -2.6635 -2.5788 -2.5788 k = 0.4464-0.1479-0.0193 ( 11115 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8003 -18.8003 -18.3863 -18.3863 -18.3509 -18.3509 -18.3172 -18.3172 -18.2061 -18.2061 -18.1678 -18.1678 -15.7430 -15.7430 -15.7115 -15.7115 -5.0114 -5.0114 -4.5608 -4.5608 -4.3723 -4.3723 -4.2821 -4.2821 -4.2335 -4.2335 -4.1959 -4.1959 -4.0078 -4.0078 -3.9887 -3.9887 -3.6970 -3.6970 -3.5985 -3.5985 -3.5610 -3.5610 -3.4831 -3.4831 -3.2244 -3.2244 -3.2025 -3.2025 -3.1583 -3.1583 -3.0728 -3.0728 -3.0279 -3.0279 -2.9694 -2.9694 -2.8818 -2.8818 -2.7691 -2.7691 -2.7316 -2.7316 -2.6892 -2.6892 -2.6650 -2.6650 -2.5784 -2.5784 k = 0.4643-0.1538-0.0200 ( 11123 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7997 -18.7997 -18.3870 -18.3870 -18.3508 -18.3508 -18.3168 -18.3168 -18.2067 -18.2067 -18.1677 -18.1677 -15.7423 -15.7423 -15.7123 -15.7123 -5.0098 -5.0098 -4.5637 -4.5637 -4.3726 -4.3726 -4.2743 -4.2743 -4.2308 -4.2308 -4.2045 -4.2045 -4.0003 -4.0003 -3.9782 -3.9782 -3.6866 -3.6866 -3.6076 -3.6076 -3.5717 -3.5717 -3.4896 -3.4896 -3.2149 -3.2149 -3.2042 -3.2042 -3.1678 -3.1678 -3.0673 -3.0673 -3.0232 -3.0232 -2.9784 -2.9784 -2.8815 -2.8815 -2.7718 -2.7718 -2.7333 -2.7333 -2.6894 -2.6894 -2.6661 -2.6661 -2.5780 -2.5780 k = 0.4821-0.1597-0.0208 ( 11116 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7994 -18.7994 -18.3874 -18.3874 -18.3508 -18.3508 -18.3165 -18.3165 -18.2071 -18.2071 -18.1676 -18.1676 -15.7419 -15.7419 -15.7129 -15.7129 -5.0088 -5.0088 -4.5654 -4.5654 -4.3727 -4.3727 -4.2688 -4.2688 -4.2271 -4.2271 -4.2125 -4.2125 -3.9979 -3.9979 -3.9689 -3.9689 -3.6773 -3.6773 -3.6193 -3.6193 -3.5759 -3.5759 -3.4935 -3.4935 -3.2108 -3.2108 -3.1991 -3.1991 -3.1781 -3.1781 -3.0642 -3.0642 -3.0169 -3.0169 -2.9868 -2.9868 -2.8812 -2.8812 -2.7735 -2.7735 -2.7344 -2.7344 -2.6895 -2.6895 -2.6668 -2.6668 -2.5778 -2.5778 k = 0.5000-0.1656-0.0216 ( 11108 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8211 -40.8211 -40.8166 -40.8166 -18.7992 -18.7992 -18.3876 -18.3876 -18.3507 -18.3507 -18.3164 -18.3164 -18.2072 -18.2072 -18.1676 -18.1676 -15.7418 -15.7418 -15.7130 -15.7130 -5.0084 -5.0084 -4.5660 -4.5660 -4.3728 -4.3728 -4.2668 -4.2668 -4.2239 -4.2239 -4.2173 -4.2173 -3.9972 -3.9972 -3.9654 -3.9654 -3.6729 -3.6729 -3.6250 -3.6250 -3.5768 -3.5768 -3.4948 -3.4948 -3.2106 -3.2106 -3.1902 -3.1902 -3.1874 -3.1874 -3.0632 -3.0632 -3.0131 -3.0131 -2.9912 -2.9912 -2.8811 -2.8811 -2.7740 -2.7740 -2.7347 -2.7347 -2.6895 -2.6895 -2.6671 -2.6671 -2.5778 -2.5778 k = 0.5000-0.1656 0.4801 ( 11138 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7720 -18.7720 -18.3909 -18.3909 -18.3584 -18.3584 -18.3061 -18.3061 -18.2311 -18.2311 -18.1708 -18.1708 -15.7478 -15.7478 -15.7177 -15.7177 -4.8709 -4.8709 -4.5033 -4.5033 -4.4464 -4.4464 -4.2074 -4.2074 -4.1053 -4.1053 -4.0772 -4.0772 -3.9490 -3.9490 -3.8734 -3.8734 -3.7933 -3.7933 -3.6712 -3.6712 -3.5927 -3.5927 -3.4963 -3.4963 -3.3423 -3.3423 -3.2956 -3.2956 -3.0998 -3.0998 -3.0793 -3.0793 -3.0111 -3.0111 -2.9708 -2.9708 -2.9237 -2.9237 -2.8482 -2.8482 -2.7980 -2.7980 -2.7405 -2.7405 -2.7085 -2.7085 -2.6745 -2.6745 k = 0.4865-0.1611 0.4672 ( 11138 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7721 -18.7721 -18.3908 -18.3908 -18.3584 -18.3584 -18.3062 -18.3062 -18.2310 -18.2310 -18.1708 -18.1708 -15.7479 -15.7479 -15.7176 -15.7176 -4.8715 -4.8715 -4.5048 -4.5048 -4.4444 -4.4444 -4.2076 -4.2076 -4.1057 -4.1057 -4.0799 -4.0799 -3.9525 -3.9525 -3.8694 -3.8694 -3.7918 -3.7918 -3.6721 -3.6721 -3.5926 -3.5926 -3.4947 -3.4947 -3.3410 -3.3410 -3.2956 -3.2956 -3.1026 -3.1026 -3.0769 -3.0769 -3.0123 -3.0123 -2.9699 -2.9699 -2.9239 -2.9239 -2.8485 -2.8485 -2.7973 -2.7973 -2.7400 -2.7400 -2.7083 -2.7083 -2.6746 -2.6746 k = 0.4730-0.1566 0.4542 ( 11133 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7724 -18.7724 -18.3906 -18.3906 -18.3583 -18.3583 -18.3066 -18.3066 -18.2305 -18.2305 -18.1708 -18.1708 -15.7481 -15.7481 -15.7173 -15.7173 -4.8733 -4.8733 -4.5088 -4.5088 -4.4391 -4.4391 -4.2084 -4.2084 -4.1072 -4.1072 -4.0874 -4.0874 -3.9616 -3.9616 -3.8593 -3.8593 -3.7877 -3.7877 -3.6754 -3.6754 -3.5913 -3.5913 -3.4904 -3.4904 -3.3371 -3.3371 -3.2955 -3.2955 -3.1086 -3.1086 -3.0720 -3.0720 -3.0154 -3.0154 -2.9676 -2.9676 -2.9244 -2.9244 -2.8494 -2.8494 -2.7952 -2.7952 -2.7387 -2.7387 -2.7079 -2.7079 -2.6750 -2.6750 k = 0.4595-0.1522 0.4412 ( 11126 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7730 -18.7730 -18.3903 -18.3903 -18.3582 -18.3582 -18.3072 -18.3072 -18.2298 -18.2298 -18.1708 -18.1708 -15.7484 -15.7484 -15.7168 -15.7168 -4.8762 -4.8762 -4.5141 -4.5141 -4.4318 -4.4318 -4.2097 -4.2097 -4.1111 -4.1111 -4.0970 -4.0970 -3.9737 -3.9737 -3.8459 -3.8459 -3.7816 -3.7816 -3.6816 -3.6816 -3.5866 -3.5866 -3.4849 -3.4849 -3.3307 -3.3307 -3.2954 -3.2954 -3.1154 -3.1154 -3.0674 -3.0674 -3.0191 -3.0191 -2.9647 -2.9647 -2.9253 -2.9253 -2.8506 -2.8506 -2.7920 -2.7920 -2.7366 -2.7366 -2.7072 -2.7072 -2.6757 -2.6757 k = 0.4459-0.1477 0.4282 ( 11120 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7738 -18.7738 -18.3898 -18.3898 -18.3581 -18.3581 -18.3079 -18.3079 -18.2287 -18.2287 -18.1708 -18.1708 -15.7488 -15.7488 -15.7161 -15.7161 -4.8803 -4.8803 -4.5197 -4.5197 -4.4233 -4.4233 -4.2116 -4.2116 -4.1217 -4.1217 -4.1036 -4.1036 -3.9874 -3.9874 -3.8317 -3.8317 -3.7746 -3.7746 -3.6903 -3.6903 -3.5774 -3.5774 -3.4792 -3.4792 -3.3219 -3.3219 -3.2950 -3.2950 -3.1224 -3.1224 -3.0650 -3.0650 -3.0219 -3.0219 -2.9617 -2.9617 -2.9265 -2.9265 -2.8517 -2.8517 -2.7880 -2.7880 -2.7339 -2.7339 -2.7061 -2.7061 -2.6765 -2.6765 k = 0.4324-0.1432 0.4153 ( 11118 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7748 -18.7748 -18.3892 -18.3892 -18.3579 -18.3579 -18.3089 -18.3089 -18.2275 -18.2275 -18.1709 -18.1709 -15.7492 -15.7492 -15.7153 -15.7153 -4.8855 -4.8855 -4.5251 -4.5251 -4.4145 -4.4145 -4.2140 -4.2140 -4.1376 -4.1376 -4.1070 -4.1070 -4.0020 -4.0020 -3.8186 -3.8186 -3.7672 -3.7672 -3.6997 -3.6997 -3.5639 -3.5639 -3.4740 -3.4740 -3.3115 -3.3115 -3.2939 -3.2939 -3.1291 -3.1291 -3.0658 -3.0658 -3.0223 -3.0223 -2.9590 -2.9590 -2.9282 -2.9282 -2.8524 -2.8524 -2.7833 -2.7833 -2.7305 -2.7305 -2.7048 -2.7048 -2.6773 -2.6773 k = 0.4189-0.1387 0.4023 ( 11114 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7760 -18.7760 -18.3885 -18.3885 -18.3577 -18.3577 -18.3100 -18.3100 -18.2260 -18.2260 -18.1709 -18.1709 -15.7498 -15.7498 -15.7143 -15.7143 -4.8916 -4.8916 -4.5299 -4.5299 -4.4058 -4.4058 -4.2170 -4.2170 -4.1553 -4.1553 -4.1097 -4.1097 -4.0168 -4.0168 -3.8092 -3.8092 -3.7597 -3.7597 -3.7074 -3.7074 -3.5471 -3.5471 -3.4689 -3.4689 -3.3028 -3.3028 -3.2894 -3.2894 -3.1354 -3.1354 -3.0699 -3.0699 -3.0201 -3.0201 -2.9569 -2.9569 -2.9304 -2.9304 -2.8523 -2.8523 -2.7782 -2.7782 -2.7268 -2.7268 -2.7032 -2.7032 -2.6781 -2.6781 k = 0.4054-0.1343 0.3893 ( 11116 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7775 -18.7775 -18.3877 -18.3877 -18.3574 -18.3574 -18.3112 -18.3112 -18.2243 -18.2243 -18.1710 -18.1710 -15.7504 -15.7504 -15.7132 -15.7132 -4.8986 -4.8986 -4.5341 -4.5341 -4.3976 -4.3976 -4.2209 -4.2209 -4.1733 -4.1733 -4.1125 -4.1125 -4.0316 -4.0316 -3.8068 -3.8068 -3.7511 -3.7511 -3.7111 -3.7111 -3.5290 -3.5290 -3.4629 -3.4629 -3.2995 -3.2995 -3.2782 -3.2782 -3.1411 -3.1411 -3.0761 -3.0761 -3.0165 -3.0165 -2.9554 -2.9554 -2.9330 -2.9330 -2.8514 -2.8514 -2.7727 -2.7727 -2.7231 -2.7231 -2.7014 -2.7014 -2.6785 -2.6785 k = 0.3919-0.1298 0.3763 ( 11107 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8211 -40.8211 -40.8166 -40.8166 -18.7791 -18.7791 -18.3868 -18.3868 -18.3571 -18.3571 -18.3125 -18.3125 -18.2225 -18.2225 -18.1710 -18.1710 -15.7510 -15.7510 -15.7119 -15.7119 -4.9064 -4.9064 -4.5374 -4.5374 -4.3902 -4.3902 -4.2261 -4.2261 -4.1904 -4.1904 -4.1156 -4.1156 -4.0459 -4.0459 -3.8123 -3.8123 -3.7415 -3.7415 -3.7097 -3.7097 -3.5125 -3.5125 -3.4536 -3.4536 -3.2984 -3.2984 -3.2642 -3.2642 -3.1461 -3.1461 -3.0832 -3.0832 -3.0122 -3.0122 -2.9547 -2.9547 -2.9359 -2.9359 -2.8494 -2.8494 -2.7670 -2.7670 -2.7196 -2.7196 -2.6994 -2.6994 -2.6783 -2.6783 k = 0.3784-0.1253 0.3634 ( 11110 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8211 -40.8211 -40.8166 -40.8166 -18.7809 -18.7809 -18.3858 -18.3858 -18.3568 -18.3568 -18.3139 -18.3139 -18.2205 -18.2205 -18.1711 -18.1711 -15.7517 -15.7517 -15.7106 -15.7106 -4.9149 -4.9149 -4.5399 -4.5399 -4.3839 -4.3839 -4.2336 -4.2336 -4.2048 -4.2048 -4.1191 -4.1191 -4.0596 -4.0596 -3.8235 -3.8235 -3.7329 -3.7329 -3.7032 -3.7032 -3.5008 -3.5008 -3.4382 -3.4382 -3.2976 -3.2976 -3.2500 -3.2500 -3.1503 -3.1503 -3.0899 -3.0899 -3.0080 -3.0080 -2.9550 -2.9550 -2.9388 -2.9388 -2.8464 -2.8464 -2.7611 -2.7611 -2.7168 -2.7168 -2.6973 -2.6973 -2.6770 -2.6770 k = 0.3649-0.1208 0.3504 ( 11113 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8211 -40.8211 -40.8166 -40.8166 -18.7828 -18.7828 -18.3847 -18.3847 -18.3565 -18.3565 -18.3153 -18.3153 -18.2185 -18.2185 -18.1711 -18.1711 -15.7524 -15.7524 -15.7093 -15.7093 -4.9239 -4.9239 -4.5416 -4.5416 -4.3789 -4.3789 -4.2446 -4.2446 -4.2152 -4.2152 -4.1232 -4.1232 -4.0723 -4.0723 -3.8376 -3.8376 -3.7275 -3.7275 -3.6923 -3.6923 -3.4945 -3.4945 -3.4171 -3.4171 -3.2961 -3.2961 -3.2371 -3.2371 -3.1537 -3.1537 -3.0956 -3.0956 -3.0042 -3.0042 -2.9565 -2.9565 -2.9413 -2.9413 -2.8423 -2.8423 -2.7551 -2.7551 -2.7149 -2.7149 -2.6950 -2.6950 -2.6744 -2.6744 k = 0.3514-0.1164 0.3374 ( 11120 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7849 -18.7849 -18.3835 -18.3835 -18.3561 -18.3561 -18.3167 -18.3167 -18.2163 -18.2163 -18.1712 -18.1712 -15.7531 -15.7531 -15.7078 -15.7078 -4.9333 -4.9333 -4.5425 -4.5425 -4.3757 -4.3757 -4.2579 -4.2579 -4.2223 -4.2223 -4.1281 -4.1281 -4.0836 -4.0836 -3.8530 -3.8530 -3.7252 -3.7252 -3.6783 -3.6783 -3.4917 -3.4917 -3.3930 -3.3930 -3.2934 -3.2934 -3.2264 -3.2264 -3.1561 -3.1561 -3.0991 -3.0991 -3.0012 -3.0012 -2.9592 -2.9592 -2.9428 -2.9428 -2.8372 -2.8372 -2.7492 -2.7492 -2.7140 -2.7140 -2.6926 -2.6926 -2.6705 -2.6705 k = 0.3378-0.1119 0.3244 ( 11118 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7871 -18.7871 -18.3823 -18.3823 -18.3557 -18.3557 -18.3182 -18.3182 -18.2142 -18.2142 -18.1713 -18.1713 -15.7538 -15.7538 -15.7063 -15.7063 -4.9430 -4.9430 -4.5426 -4.5426 -4.3745 -4.3745 -4.2716 -4.2716 -4.2276 -4.2276 -4.1341 -4.1341 -4.0931 -4.0931 -3.8686 -3.8686 -3.7253 -3.7253 -3.6629 -3.6629 -3.4909 -3.4909 -3.3694 -3.3694 -3.2882 -3.2882 -3.2189 -3.2189 -3.1575 -3.1575 -3.0998 -3.0998 -2.9991 -2.9991 -2.9626 -2.9626 -2.9431 -2.9431 -2.8312 -2.8312 -2.7434 -2.7434 -2.7138 -2.7138 -2.6899 -2.6899 -2.6656 -2.6656 k = 0.3243-0.1074 0.3114 ( 11115 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7895 -18.7895 -18.3810 -18.3810 -18.3554 -18.3554 -18.3195 -18.3195 -18.2120 -18.2120 -18.1714 -18.1714 -15.7545 -15.7545 -15.7048 -15.7048 -4.9529 -4.9529 -4.5420 -4.5420 -4.3754 -4.3754 -4.2844 -4.2844 -4.2323 -4.2323 -4.1412 -4.1412 -4.1008 -4.1008 -3.8838 -3.8838 -3.7275 -3.7275 -3.6470 -3.6470 -3.4913 -3.4913 -3.3498 -3.3498 -3.2788 -3.2788 -3.2143 -3.2143 -3.1579 -3.1579 -3.0972 -3.0972 -2.9984 -2.9984 -2.9662 -2.9662 -2.9423 -2.9423 -2.8246 -2.8246 -2.7381 -2.7381 -2.7137 -2.7137 -2.6871 -2.6871 -2.6599 -2.6599 k = 0.3108-0.1029 0.2985 ( 11114 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7919 -18.7919 -18.3797 -18.3797 -18.3550 -18.3550 -18.3208 -18.3208 -18.2097 -18.2097 -18.1715 -18.1715 -15.7552 -15.7552 -15.7033 -15.7033 -4.9629 -4.9629 -4.5408 -4.5408 -4.3787 -4.3787 -4.2957 -4.2957 -4.2368 -4.2368 -4.1491 -4.1491 -4.1067 -4.1067 -3.8983 -3.8983 -3.7312 -3.7312 -3.6311 -3.6311 -3.4926 -3.4926 -3.3365 -3.3365 -3.2651 -3.2651 -3.2109 -3.2109 -3.1574 -3.1574 -3.0917 -3.0917 -2.9992 -2.9992 -2.9692 -2.9692 -2.9403 -2.9403 -2.8174 -2.8174 -2.7339 -2.7339 -2.7129 -2.7129 -2.6840 -2.6840 -2.6538 -2.6538 k = 0.2973-0.0985 0.2855 ( 11118 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7944 -18.7944 -18.3783 -18.3783 -18.3547 -18.3547 -18.3221 -18.3221 -18.2075 -18.2075 -18.1715 -18.1715 -15.7558 -15.7558 -15.7018 -15.7018 -4.9729 -4.9729 -4.5391 -4.5391 -4.3841 -4.3841 -4.3054 -4.3054 -4.2414 -4.2414 -4.1573 -4.1573 -4.1114 -4.1114 -3.9118 -3.9118 -3.7364 -3.7364 -3.6154 -3.6154 -3.4946 -3.4946 -3.3292 -3.3292 -3.2519 -3.2519 -3.2042 -3.2042 -3.1564 -3.1564 -3.0843 -3.0843 -3.0014 -3.0014 -2.9710 -2.9710 -2.9372 -2.9372 -2.8097 -2.8097 -2.7314 -2.7314 -2.7105 -2.7105 -2.6808 -2.6808 -2.6475 -2.6475 k = 0.2838-0.0940 0.2725 ( 11119 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7970 -18.7970 -18.3769 -18.3769 -18.3543 -18.3543 -18.3232 -18.3232 -18.2053 -18.2053 -18.1716 -18.1716 -15.7565 -15.7565 -15.7002 -15.7002 -4.9828 -4.9828 -4.5369 -4.5369 -4.3913 -4.3913 -4.3136 -4.3136 -4.2464 -4.2464 -4.1653 -4.1653 -4.1153 -4.1153 -3.9241 -3.9241 -3.7427 -3.7427 -3.6005 -3.6005 -3.4970 -3.4970 -3.3258 -3.3258 -3.2459 -3.2459 -3.1898 -3.1898 -3.1548 -3.1548 -3.0759 -3.0759 -3.0044 -3.0044 -2.9715 -2.9715 -2.9329 -2.9329 -2.8017 -2.8017 -2.7304 -2.7304 -2.7065 -2.7065 -2.6775 -2.6775 -2.6412 -2.6412 k = 0.2703-0.0895 0.2595 ( 11121 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.7996 -18.7996 -18.3756 -18.3756 -18.3541 -18.3541 -18.3242 -18.3242 -18.2032 -18.2032 -18.1717 -18.1717 -15.7571 -15.7571 -15.6987 -15.6987 -4.9925 -4.9925 -4.5342 -4.5342 -4.3996 -4.3996 -4.3206 -4.3206 -4.2520 -4.2520 -4.1728 -4.1728 -4.1186 -4.1186 -3.9352 -3.9352 -3.7497 -3.7497 -3.5869 -3.5869 -3.4994 -3.4994 -3.3250 -3.3250 -3.2459 -3.2459 -3.1707 -3.1707 -3.1528 -3.1528 -3.0675 -3.0675 -3.0066 -3.0066 -2.9706 -2.9706 -2.9275 -2.9275 -2.7935 -2.7935 -2.7303 -2.7303 -2.7013 -2.7013 -2.6741 -2.6741 -2.6349 -2.6349 k = 0.2568-0.0850 0.2466 ( 11114 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8022 -18.8022 -18.3742 -18.3742 -18.3538 -18.3538 -18.3250 -18.3250 -18.2011 -18.2011 -18.1718 -18.1718 -15.7577 -15.7577 -15.6972 -15.6972 -5.0019 -5.0019 -4.5313 -4.5313 -4.4084 -4.4084 -4.3268 -4.3268 -4.2583 -4.2583 -4.1795 -4.1795 -4.1217 -4.1217 -3.9449 -3.9449 -3.7572 -3.7572 -3.5753 -3.5753 -3.5012 -3.5012 -3.3262 -3.3262 -3.2479 -3.2479 -3.1552 -3.1552 -3.1479 -3.1479 -3.0602 -3.0602 -3.0058 -3.0058 -2.9684 -2.9684 -2.9214 -2.9214 -2.7852 -2.7852 -2.7302 -2.7302 -2.6957 -2.6957 -2.6707 -2.6707 -2.6288 -2.6288 k = 0.2432-0.0806 0.2336 ( 11117 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8048 -18.8048 -18.3729 -18.3729 -18.3537 -18.3537 -18.3258 -18.3258 -18.1990 -18.1990 -18.1719 -18.1719 -15.7583 -15.7583 -15.6957 -15.6957 -5.0111 -5.0111 -4.5281 -4.5281 -4.4174 -4.4174 -4.3325 -4.3325 -4.2653 -4.2653 -4.1856 -4.1856 -4.1246 -4.1246 -3.9534 -3.9534 -3.7650 -3.7650 -3.5668 -3.5668 -3.5013 -3.5013 -3.3290 -3.3290 -3.2501 -3.2501 -3.1518 -3.1518 -3.1350 -3.1350 -3.0561 -3.0561 -2.9986 -2.9986 -2.9651 -2.9651 -2.9148 -2.9148 -2.7769 -2.7769 -2.7298 -2.7298 -2.6900 -2.6900 -2.6671 -2.6671 -2.6230 -2.6230 k = 0.2297-0.0761 0.2206 ( 11118 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8074 -18.8074 -18.3716 -18.3716 -18.3536 -18.3536 -18.3263 -18.3263 -18.1971 -18.1971 -18.1720 -18.1720 -15.7589 -15.7589 -15.6942 -15.6942 -5.0200 -5.0200 -4.5249 -4.5249 -4.4259 -4.4259 -4.3377 -4.3377 -4.2728 -4.2728 -4.1909 -4.1909 -4.1275 -4.1275 -3.9607 -3.9607 -3.7726 -3.7726 -3.5625 -3.5625 -3.4987 -3.4987 -3.3332 -3.3332 -3.2516 -3.2516 -3.1513 -3.1513 -3.1247 -3.1247 -3.0559 -3.0559 -2.9838 -2.9838 -2.9607 -2.9607 -2.9079 -2.9079 -2.7688 -2.7688 -2.7286 -2.7286 -2.6843 -2.6843 -2.6634 -2.6634 -2.6174 -2.6174 k = 0.2162-0.0716 0.2076 ( 11115 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8100 -18.8100 -18.3703 -18.3703 -18.3536 -18.3536 -18.3267 -18.3267 -18.1952 -18.1952 -18.1720 -18.1720 -15.7594 -15.7594 -15.6928 -15.6928 -5.0284 -5.0284 -4.5216 -4.5216 -4.4339 -4.4339 -4.3427 -4.3427 -4.2807 -4.2807 -4.1958 -4.1958 -4.1305 -4.1305 -3.9670 -3.9670 -3.7799 -3.7799 -3.5623 -3.5623 -3.4934 -3.4934 -3.3385 -3.3385 -3.2524 -3.2524 -3.1521 -3.1521 -3.1186 -3.1186 -3.0578 -3.0578 -2.9647 -2.9647 -2.9543 -2.9543 -2.9010 -2.9010 -2.7608 -2.7608 -2.7265 -2.7265 -2.6789 -2.6789 -2.6597 -2.6597 -2.6122 -2.6122 k = 0.2027-0.0671 0.1947 ( 11109 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8211 -40.8211 -40.8166 -40.8166 -18.8125 -18.8125 -18.3691 -18.3691 -18.3537 -18.3537 -18.3269 -18.3269 -18.1934 -18.1934 -18.1721 -18.1721 -15.7599 -15.7599 -15.6915 -15.6915 -5.0365 -5.0365 -4.5184 -4.5184 -4.4410 -4.4410 -4.3473 -4.3473 -4.2886 -4.2886 -4.2002 -4.2002 -4.1336 -4.1336 -3.9724 -3.9724 -3.7865 -3.7865 -3.5654 -3.5654 -3.4862 -3.4862 -3.3445 -3.3445 -3.2524 -3.2524 -3.1541 -3.1541 -3.1166 -3.1166 -3.0594 -3.0594 -2.9529 -2.9529 -2.9375 -2.9375 -2.8942 -2.8942 -2.7530 -2.7530 -2.7232 -2.7232 -2.6737 -2.6737 -2.6558 -2.6558 -2.6073 -2.6073 k = 0.1892-0.0627 0.1817 ( 11110 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8211 -40.8211 -40.8166 -40.8166 -18.8149 -18.8149 -18.3680 -18.3680 -18.3538 -18.3538 -18.3270 -18.3270 -18.1917 -18.1917 -18.1722 -18.1722 -15.7604 -15.7604 -15.6902 -15.6902 -5.0442 -5.0442 -4.5156 -4.5156 -4.4472 -4.4472 -4.3518 -4.3518 -4.2963 -4.2963 -4.2043 -4.2043 -4.1370 -4.1370 -3.9773 -3.9773 -3.7923 -3.7923 -3.5706 -3.5706 -3.4784 -3.4784 -3.3508 -3.3508 -3.2519 -3.2519 -3.1570 -3.1570 -3.1182 -3.1182 -3.0594 -3.0594 -2.9465 -2.9465 -2.9153 -2.9153 -2.8867 -2.8867 -2.7455 -2.7455 -2.7188 -2.7188 -2.6690 -2.6690 -2.6517 -2.6517 -2.6029 -2.6029 k = 0.1757-0.0582 0.1687 ( 11115 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8173 -18.8173 -18.3669 -18.3669 -18.3540 -18.3540 -18.3269 -18.3269 -18.1901 -18.1901 -18.1722 -18.1722 -15.7609 -15.7609 -15.6890 -15.6890 -5.0514 -5.0514 -4.5131 -4.5131 -4.4522 -4.4522 -4.3562 -4.3562 -4.3034 -4.3034 -4.2082 -4.2082 -4.1407 -4.1407 -3.9818 -3.9818 -3.7971 -3.7971 -3.5768 -3.5768 -3.4709 -3.4709 -3.3573 -3.3573 -3.2510 -3.2510 -3.1607 -3.1607 -3.1228 -3.1228 -3.0574 -3.0574 -2.9405 -2.9405 -2.8979 -2.8979 -2.8749 -2.8749 -2.7381 -2.7381 -2.7135 -2.7135 -2.6646 -2.6646 -2.6476 -2.6476 -2.5988 -2.5988 k = 0.1622-0.0537 0.1557 ( 11111 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8211 -40.8211 -40.8166 -40.8166 -18.8195 -18.8195 -18.3659 -18.3659 -18.3543 -18.3543 -18.3267 -18.3267 -18.1886 -18.1886 -18.1723 -18.1723 -15.7613 -15.7613 -15.6878 -15.6878 -5.0581 -5.0581 -4.5112 -4.5112 -4.4562 -4.4562 -4.3605 -4.3605 -4.3095 -4.3095 -4.2120 -4.2120 -4.1448 -4.1448 -3.9861 -3.9861 -3.8006 -3.8006 -3.5836 -3.5836 -3.4639 -3.4639 -3.3637 -3.3637 -3.2499 -3.2499 -3.1648 -3.1648 -3.1293 -3.1293 -3.0540 -3.0540 -2.9344 -2.9344 -2.8896 -2.8896 -2.8558 -2.8558 -2.7307 -2.7307 -2.7073 -2.7073 -2.6606 -2.6606 -2.6433 -2.6433 -2.5953 -2.5953 k = 0.1486-0.0492 0.1427 ( 11114 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8216 -18.8216 -18.3649 -18.3649 -18.3546 -18.3546 -18.3264 -18.3264 -18.1873 -18.1873 -18.1723 -18.1723 -15.7617 -15.7617 -15.6867 -15.6867 -5.0643 -5.0643 -4.5100 -4.5100 -4.4591 -4.4591 -4.3650 -4.3650 -4.3141 -4.3141 -4.2156 -4.2156 -4.1493 -4.1493 -3.9902 -3.9902 -3.8030 -3.8030 -3.5906 -3.5906 -3.4579 -3.4579 -3.3700 -3.3700 -3.2487 -3.2487 -3.1695 -3.1695 -3.1365 -3.1365 -3.0497 -3.0497 -2.9283 -2.9283 -2.8858 -2.8858 -2.8344 -2.8344 -2.7232 -2.7232 -2.7008 -2.7008 -2.6567 -2.6567 -2.6391 -2.6391 -2.5922 -2.5922 k = 0.1351-0.0448 0.1298 ( 11111 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8236 -18.8236 -18.3641 -18.3641 -18.3549 -18.3549 -18.3260 -18.3260 -18.1860 -18.1860 -18.1723 -18.1723 -15.7621 -15.7621 -15.6857 -15.6857 -5.0700 -5.0700 -4.5092 -4.5092 -4.4611 -4.4611 -4.3696 -4.3696 -4.3171 -4.3171 -4.2192 -4.2192 -4.1544 -4.1544 -3.9943 -3.9943 -3.8040 -3.8040 -3.5976 -3.5976 -3.4526 -3.4526 -3.3761 -3.3761 -3.2474 -3.2474 -3.1749 -3.1749 -3.1434 -3.1434 -3.0451 -3.0451 -2.9224 -2.9224 -2.8840 -2.8840 -2.8139 -2.8139 -2.7156 -2.7156 -2.6941 -2.6941 -2.6529 -2.6529 -2.6351 -2.6351 -2.5895 -2.5895 k = 0.1216-0.0403 0.1168 ( 11111 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8254 -18.8254 -18.3633 -18.3633 -18.3553 -18.3553 -18.3256 -18.3256 -18.1849 -18.1849 -18.1723 -18.1723 -15.7624 -15.7624 -15.6848 -15.6848 -5.0753 -5.0753 -4.5090 -4.5090 -4.4625 -4.4625 -4.3743 -4.3743 -4.3183 -4.3183 -4.2226 -4.2226 -4.1599 -4.1599 -3.9984 -3.9984 -3.8039 -3.8039 -3.6044 -3.6044 -3.4482 -3.4482 -3.3820 -3.3820 -3.2461 -3.2461 -3.1812 -3.1812 -3.1491 -3.1491 -3.0404 -3.0404 -2.9166 -2.9166 -2.8833 -2.8833 -2.7951 -2.7951 -2.7080 -2.7080 -2.6875 -2.6875 -2.6489 -2.6489 -2.6312 -2.6312 -2.5873 -2.5873 k = 0.1081-0.0358 0.1038 ( 11113 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8271 -18.8271 -18.3626 -18.3626 -18.3556 -18.3556 -18.3252 -18.3252 -18.1839 -18.1839 -18.1723 -18.1723 -15.7627 -15.7627 -15.6839 -15.6839 -5.0800 -5.0800 -4.5089 -4.5089 -4.4636 -4.4636 -4.3790 -4.3790 -4.3176 -4.3176 -4.2260 -4.2260 -4.1659 -4.1659 -4.0023 -4.0023 -3.8029 -3.8029 -3.6109 -3.6109 -3.4444 -3.4444 -3.3877 -3.3877 -3.2449 -3.2449 -3.1887 -3.1887 -3.1531 -3.1531 -3.0358 -3.0358 -2.9112 -2.9112 -2.8832 -2.8832 -2.7786 -2.7786 -2.7009 -2.7009 -2.6812 -2.6812 -2.6446 -2.6446 -2.6276 -2.6276 -2.5856 -2.5856 k = 0.0946-0.0313 0.0908 ( 11118 PWs) bands (ev): -74.1503 -74.1503 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8286 -18.8286 -18.3620 -18.3620 -18.3560 -18.3560 -18.3247 -18.3247 -18.1831 -18.1831 -18.1723 -18.1723 -15.7630 -15.7630 -15.6832 -15.6832 -5.0841 -5.0841 -4.5090 -4.5090 -4.4646 -4.4646 -4.3835 -4.3835 -4.3153 -4.3153 -4.2294 -4.2294 -4.1724 -4.1724 -4.0061 -4.0061 -3.8010 -3.8010 -3.6170 -3.6170 -3.4411 -3.4411 -3.3931 -3.3931 -3.2437 -3.2437 -3.1968 -3.1968 -3.1555 -3.1555 -3.0316 -3.0316 -2.9063 -2.9063 -2.8835 -2.8835 -2.7643 -2.7643 -2.6945 -2.6945 -2.6750 -2.6750 -2.6398 -2.6398 -2.6243 -2.6243 -2.5843 -2.5843 k = 0.0811-0.0269 0.0779 ( 11108 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8299 -18.8299 -18.3615 -18.3615 -18.3563 -18.3563 -18.3243 -18.3243 -18.1823 -18.1823 -18.1722 -18.1722 -15.7632 -15.7632 -15.6825 -15.6825 -5.0877 -5.0877 -4.5089 -4.5089 -4.4658 -4.4658 -4.3876 -4.3876 -4.3114 -4.3114 -4.2327 -4.2327 -4.1791 -4.1791 -4.0095 -4.0095 -3.7986 -3.7986 -3.6225 -3.6225 -3.4382 -3.4382 -3.3983 -3.3983 -3.2427 -3.2427 -3.2051 -3.2051 -3.1568 -3.1568 -3.0277 -3.0277 -2.9022 -2.9022 -2.8838 -2.8838 -2.7524 -2.7524 -2.6892 -2.6892 -2.6690 -2.6690 -2.6347 -2.6347 -2.6213 -2.6213 -2.5835 -2.5835 k = 0.0676-0.0224 0.0649 ( 11106 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8211 -40.8211 -40.8166 -40.8166 -18.8311 -18.8311 -18.3610 -18.3610 -18.3565 -18.3565 -18.3239 -18.3239 -18.1817 -18.1817 -18.1722 -18.1722 -15.7634 -15.7634 -15.6819 -15.6819 -5.0908 -5.0908 -4.5087 -4.5087 -4.4671 -4.4671 -4.3911 -4.3911 -4.3063 -4.3063 -4.2362 -4.2362 -4.1859 -4.1859 -4.0126 -4.0126 -3.7958 -3.7958 -3.6275 -3.6275 -3.4356 -3.4356 -3.4030 -3.4030 -3.2417 -3.2417 -3.2131 -3.2131 -3.1573 -3.1573 -3.0242 -3.0242 -2.8992 -2.8992 -2.8838 -2.8838 -2.7426 -2.7426 -2.6854 -2.6854 -2.6633 -2.6633 -2.6295 -2.6295 -2.6187 -2.6187 -2.5830 -2.5830 k = 0.0541-0.0179 0.0519 ( 11110 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8320 -18.8320 -18.3607 -18.3607 -18.3568 -18.3568 -18.3236 -18.3236 -18.1812 -18.1812 -18.1721 -18.1721 -15.7636 -15.7636 -15.6815 -15.6815 -5.0934 -5.0934 -4.5084 -4.5084 -4.4686 -4.4686 -4.3939 -4.3939 -4.3003 -4.3003 -4.2399 -4.2399 -4.1923 -4.1923 -4.0151 -4.0151 -3.7931 -3.7931 -3.6317 -3.6317 -3.4332 -3.4332 -3.4072 -3.4072 -3.2409 -3.2409 -3.2203 -3.2203 -3.1572 -3.1572 -3.0213 -3.0213 -2.8974 -2.8974 -2.8832 -2.8832 -2.7348 -2.7348 -2.6828 -2.6828 -2.6581 -2.6581 -2.6246 -2.6246 -2.6164 -2.6164 -2.5828 -2.5828 k = 0.0405-0.0134 0.0389 ( 11111 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8328 -18.8328 -18.3604 -18.3604 -18.3570 -18.3570 -18.3233 -18.3233 -18.1809 -18.1809 -18.1721 -18.1721 -15.7637 -15.7637 -15.6811 -15.6811 -5.0953 -5.0953 -4.5080 -4.5080 -4.4701 -4.4701 -4.3961 -4.3961 -4.2938 -4.2938 -4.2440 -4.2440 -4.1979 -4.1979 -4.0172 -4.0172 -3.7907 -3.7907 -3.6352 -3.6352 -3.4312 -3.4312 -3.4107 -3.4107 -3.2402 -3.2402 -3.2265 -3.2265 -3.1570 -3.1570 -3.0189 -3.0189 -2.8967 -2.8967 -2.8821 -2.8821 -2.7288 -2.7288 -2.6811 -2.6811 -2.6537 -2.6537 -2.6204 -2.6204 -2.6144 -2.6144 -2.5829 -2.5829 k = 0.0270-0.0090 0.0260 ( 11106 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8333 -18.8333 -18.3602 -18.3602 -18.3571 -18.3571 -18.3231 -18.3231 -18.1806 -18.1806 -18.1720 -18.1720 -15.7638 -15.7638 -15.6809 -15.6809 -5.0967 -5.0967 -4.5076 -4.5076 -4.4713 -4.4713 -4.3977 -4.3977 -4.2872 -4.2872 -4.2483 -4.2483 -4.2024 -4.2024 -4.0187 -4.0187 -3.7887 -3.7887 -3.6378 -3.6378 -3.4295 -3.4295 -3.4135 -3.4135 -3.2396 -3.2396 -3.2312 -3.2312 -3.1567 -3.1567 -3.0172 -3.0172 -2.8966 -2.8966 -2.8809 -2.8809 -2.7246 -2.7246 -2.6802 -2.6802 -2.6504 -2.6504 -2.6176 -2.6176 -2.6125 -2.6125 -2.5831 -2.5831 k = 0.0135-0.0045 0.0130 ( 11102 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8212 -40.8212 -40.8166 -40.8166 -18.8336 -18.8336 -18.3601 -18.3601 -18.3572 -18.3572 -18.3230 -18.3230 -18.1804 -18.1804 -18.1720 -18.1720 -15.7638 -15.7638 -15.6807 -15.6807 -5.0976 -5.0976 -4.5073 -4.5073 -4.4722 -4.4722 -4.3986 -4.3986 -4.2818 -4.2818 -4.2522 -4.2522 -4.2051 -4.2051 -4.0196 -4.0196 -3.7874 -3.7874 -3.6393 -3.6393 -3.4283 -3.4283 -3.4153 -3.4153 -3.2390 -3.2390 -3.2343 -3.2343 -3.1564 -3.1564 -3.0161 -3.0161 -2.8967 -2.8967 -2.8801 -2.8801 -2.7221 -2.7221 -2.6798 -2.6798 -2.6483 -2.6483 -2.6161 -2.6161 -2.6109 -2.6109 -2.5833 -2.5833 k = 0.0000 0.0000 0.0000 ( 11097 PWs) bands (ev): -74.1502 -74.1502 -41.1059 -41.1059 -40.8211 -40.8211 -40.8166 -40.8166 -18.8337 -18.8337 -18.3600 -18.3600 -18.3572 -18.3572 -18.3229 -18.3229 -18.1804 -18.1804 -18.1720 -18.1720 -15.7638 -15.7638 -15.6806 -15.6806 -5.0979 -5.0979 -4.5072 -4.5072 -4.4725 -4.4725 -4.3989 -4.3989 -4.2795 -4.2795 -4.2540 -4.2540 -4.2061 -4.2061 -4.0198 -4.0198 -3.7870 -3.7870 -3.6399 -3.6399 -3.4279 -3.4279 -3.4159 -3.4159 -3.2386 -3.2386 -3.2355 -3.2355 -3.1564 -3.1564 -3.0157 -3.0157 -2.8967 -2.8967 -2.8798 -2.8798 -2.7212 -2.7212 -2.6796 -2.6796 -2.6476 -2.6476 -2.6157 -2.6157 -2.6103 -2.6103 -2.5833 -2.5833 Writing output data file MgxClO3x2.save init_run : 0.60s CPU 0.80s WALL ( 1 calls) electrons : 318.92s CPU 322.15s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.03s WALL ( 1 calls) potinit : 0.05s CPU 0.13s WALL ( 1 calls) Called by electrons: c_bands : 318.91s CPU 322.14s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.06s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.08s WALL ( 255 calls) cegterg : 292.35s CPU 294.92s WALL ( 255 calls) Called by sum_band: Called by *egterg: h_psi : 184.66s CPU 187.33s WALL ( 3916 calls) s_psi : 5.38s CPU 5.35s WALL ( 3916 calls) g_psi : 0.32s CPU 0.31s WALL ( 3406 calls) cdiaghg : 91.51s CPU 91.59s WALL ( 3661 calls) cegterg:over : 14.14s CPU 14.26s WALL ( 3406 calls) cegterg:upda : 9.15s CPU 9.33s WALL ( 3406 calls) cegterg:last : 5.73s CPU 5.77s WALL ( 765 calls) cdiaghg:chol : 3.18s CPU 3.28s WALL ( 3661 calls) cdiaghg:inve : 2.48s CPU 2.41s WALL ( 3661 calls) cdiaghg:para : 5.82s CPU 5.59s WALL ( 7322 calls) Called by h_psi: h_psi:vloc : 171.01s CPU 173.41s WALL ( 3916 calls) h_psi:vnl : 13.36s CPU 13.62s WALL ( 3916 calls) add_vuspsi : 6.16s CPU 6.25s WALL ( 3916 calls) General routines calbec : 7.18s CPU 7.36s WALL ( 3916 calls) fft : 0.02s CPU 0.03s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 163.92s CPU 166.62s WALL ( 747348 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.25s CPU 0.28s WALL ( 510 calls) Parallel routines fft_scatter : 119.17s CPU 121.15s WALL ( 747371 calls) PWSCF : 6m16.27s CPU 6m36.70s WALL This run was terminated on: 6:42: 6 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=