Program PWSCF v.5.1.1 starts on 2Jan2016 at 8:49:36 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Li4CO4.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 44 44 12 1517 1517 224 Max 45 45 13 1520 1520 226 Sum 2119 2119 589 72867 72867 10807 bravais-lattice index = 14 lattice parameter (alat) = 8.7307 a.u. unit-cell volume = 518.0089 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 411.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.730686 celldm(2)= 1.000000 celldm(3)= 0.951444 celldm(4)= 0.221061 celldm(5)= 0.221061 celldm(6)= 0.534005 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.534005 0.845482 0.000000 ) a(3) = ( 0.210327 0.115924 0.920636 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.631598 -0.148930 ) b(2) = ( 0.000000 1.182758 -0.148930 ) b(3) = ( 0.000000 0.000000 1.086206 ) PseudoPot. # 1 for O read from file: /home/autes/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 Li read from file: /home/autes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for C read from file: /home/autes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Li 3.00 6.94100 Li( 1.00) C 4.00 12.01070 C( 1.00) No symmetry 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 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 360 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 2) = ( 0.0121951 0.0067215 -0.0036324), wk = 0.0027778 k( 3) = ( 0.0243902 0.0134429 -0.0072649), wk = 0.0027778 k( 4) = ( 0.0365854 0.0201644 -0.0108973), wk = 0.0027778 k( 5) = ( 0.0487805 0.0268858 -0.0145297), wk = 0.0027778 k( 6) = ( 0.0609756 0.0336073 -0.0181621), wk = 0.0027778 k( 7) = ( 0.0731707 0.0403288 -0.0217946), wk = 0.0027778 k( 8) = ( 0.0853658 0.0470502 -0.0254270), wk = 0.0027778 k( 9) = ( 0.0975610 0.0537717 -0.0290594), wk = 0.0027778 k( 10) = ( 0.1097561 0.0604931 -0.0326919), wk = 0.0027778 k( 11) = ( 0.1219512 0.0672146 -0.0363243), wk = 0.0027778 k( 12) = ( 0.1341463 0.0739361 -0.0399567), wk = 0.0027778 k( 13) = ( 0.1463415 0.0806575 -0.0435891), wk = 0.0027778 k( 14) = ( 0.1585366 0.0873790 -0.0472216), wk = 0.0027778 k( 15) = ( 0.1707317 0.0941004 -0.0508540), wk = 0.0027778 k( 16) = ( 0.1829268 0.1008219 -0.0544864), wk = 0.0027778 k( 17) = ( 0.1951219 0.1075433 -0.0581189), wk = 0.0027778 k( 18) = ( 0.2073171 0.1142648 -0.0617513), wk = 0.0027778 k( 19) = ( 0.2195122 0.1209863 -0.0653837), wk = 0.0027778 k( 20) = ( 0.2317073 0.1277077 -0.0690162), wk = 0.0027778 k( 21) = ( 0.2439024 0.1344292 -0.0726486), wk = 0.0027778 k( 22) = ( 0.2560976 0.1411506 -0.0762810), wk = 0.0027778 k( 23) = ( 0.2682927 0.1478721 -0.0799134), wk = 0.0027778 k( 24) = ( 0.2804878 0.1545936 -0.0835459), wk = 0.0027778 k( 25) = ( 0.2926829 0.1613150 -0.0871783), wk = 0.0027778 k( 26) = ( 0.3048781 0.1680365 -0.0908107), wk = 0.0027778 k( 27) = ( 0.3170732 0.1747579 -0.0944432), wk = 0.0027778 k( 28) = ( 0.3292683 0.1814794 -0.0980756), wk = 0.0027778 k( 29) = ( 0.3414634 0.1882009 -0.1017080), wk = 0.0027778 k( 30) = ( 0.3536585 0.1949223 -0.1053404), wk = 0.0027778 k( 31) = ( 0.3658537 0.2016438 -0.1089729), wk = 0.0027778 k( 32) = ( 0.3780488 0.2083652 -0.1126053), wk = 0.0027778 k( 33) = ( 0.3902439 0.2150867 -0.1162377), wk = 0.0027778 k( 34) = ( 0.4024390 0.2218082 -0.1198702), wk = 0.0027778 k( 35) = ( 0.4146341 0.2285296 -0.1235026), wk = 0.0027778 k( 36) = ( 0.4268293 0.2352511 -0.1271350), wk = 0.0027778 k( 37) = ( 0.4390244 0.2419725 -0.1307674), wk = 0.0027778 k( 38) = ( 0.4512195 0.2486940 -0.1343999), wk = 0.0027778 k( 39) = ( 0.4634146 0.2554155 -0.1380323), wk = 0.0027778 k( 40) = ( 0.4756098 0.2621369 -0.1416647), wk = 0.0027778 k( 41) = ( 0.4878049 0.2688584 -0.1452972), wk = 0.0027778 k( 42) = ( 0.5000000 0.2755798 -0.1489296), wk = 0.0027778 k( 43) = ( 0.5000000 0.2755798 -0.1489296), wk = 0.0027778 k( 44) = ( 0.5032161 0.2773524 -0.1348520), wk = 0.0027778 k( 45) = ( 0.5064323 0.2791251 -0.1207744), wk = 0.0027778 k( 46) = ( 0.5096485 0.2808977 -0.1066967), wk = 0.0027778 k( 47) = ( 0.5128646 0.2826703 -0.0926191), wk = 0.0027778 k( 48) = ( 0.5160808 0.2844429 -0.0785415), wk = 0.0027778 k( 49) = ( 0.5192969 0.2862155 -0.0644639), wk = 0.0027778 k( 50) = ( 0.5225131 0.2879881 -0.0503863), wk = 0.0027778 k( 51) = ( 0.5257292 0.2897607 -0.0363087), wk = 0.0027778 k( 52) = ( 0.5289454 0.2915334 -0.0222311), wk = 0.0027778 k( 53) = ( 0.5321615 0.2933060 -0.0081534), wk = 0.0027778 k( 54) = ( 0.5353777 0.2950786 0.0059242), wk = 0.0027778 k( 55) = ( 0.5385938 0.2968512 0.0200018), wk = 0.0027778 k( 56) = ( 0.5418100 0.2986238 0.0340794), wk = 0.0027778 k( 57) = ( 0.5450261 0.3003964 0.0481570), wk = 0.0027778 k( 58) = ( 0.5482423 0.3021690 0.0622346), wk = 0.0027778 k( 59) = ( 0.5514585 0.3039417 0.0763123), wk = 0.0027778 k( 60) = ( 0.5546746 0.3057143 0.0903899), wk = 0.0027778 k( 61) = ( 0.5578908 0.3074869 0.1044675), wk = 0.0027778 k( 62) = ( 0.5611069 0.3092595 0.1185451), wk = 0.0027778 k( 63) = ( 0.5643231 0.3110321 0.1326227), wk = 0.0027778 k( 64) = ( 0.5675392 0.3128047 0.1467003), wk = 0.0027778 k( 65) = ( 0.5707554 0.3145773 0.1607779), wk = 0.0027778 k( 66) = ( 0.5739715 0.3163500 0.1748556), wk = 0.0027778 k( 67) = ( 0.5771877 0.3181226 0.1889332), wk = 0.0027778 k( 68) = ( 0.5804038 0.3198952 0.2030108), wk = 0.0027778 k( 69) = ( 0.5836200 0.3216678 0.2170884), wk = 0.0027778 k( 70) = ( 0.5868361 0.3234404 0.2311660), wk = 0.0027778 k( 71) = ( 0.5900523 0.3252130 0.2452436), wk = 0.0027778 k( 72) = ( 0.5900523 0.3252130 0.2452436), wk = 0.0027778 k( 73) = ( 0.5831252 0.3213951 0.2566998), wk = 0.0027778 k( 74) = ( 0.5761981 0.3175772 0.2681559), wk = 0.0027778 k( 75) = ( 0.5692710 0.3137592 0.2796120), wk = 0.0027778 k( 76) = ( 0.5623439 0.3099413 0.2910681), wk = 0.0027778 k( 77) = ( 0.5554168 0.3061233 0.3025242), wk = 0.0027778 k( 78) = ( 0.5484897 0.3023054 0.3139804), wk = 0.0027778 k( 79) = ( 0.5415626 0.2984875 0.3254365), wk = 0.0027778 k( 80) = ( 0.5346355 0.2946695 0.3368926), wk = 0.0027778 k( 81) = ( 0.5277084 0.2908516 0.3483487), wk = 0.0027778 k( 82) = ( 0.5207813 0.2870336 0.3598049), wk = 0.0027778 k( 83) = ( 0.5138542 0.2832157 0.3712610), wk = 0.0027778 k( 84) = ( 0.5069271 0.2793978 0.3827171), wk = 0.0027778 k( 85) = ( 0.5000000 0.2755798 0.3941732), wk = 0.0027778 k( 86) = ( 0.5000000 0.2755798 0.3941732), wk = 0.0027778 k( 87) = ( 0.5068860 0.2630862 0.3941732), wk = 0.0027778 k( 88) = ( 0.5137720 0.2505926 0.3941732), wk = 0.0027778 k( 89) = ( 0.5206580 0.2380990 0.3941732), wk = 0.0027778 k( 90) = ( 0.5275439 0.2256053 0.3941732), wk = 0.0027778 k( 91) = ( 0.5344299 0.2131117 0.3941732), wk = 0.0027778 k( 92) = ( 0.5413159 0.2006181 0.3941732), wk = 0.0027778 k( 93) = ( 0.5482019 0.1881245 0.3941732), wk = 0.0027778 k( 94) = ( 0.5550879 0.1756308 0.3941732), wk = 0.0027778 k( 95) = ( 0.5619738 0.1631372 0.3941732), wk = 0.0027778 k( 96) = ( 0.5688598 0.1506436 0.3941732), wk = 0.0027778 k( 97) = ( 0.5757458 0.1381500 0.3941732), wk = 0.0027778 k( 98) = ( 0.5826318 0.1256563 0.3941732), wk = 0.0027778 k( 99) = ( 0.5895178 0.1131627 0.3941732), wk = 0.0027778 k( 100) = ( 0.5964038 0.1006691 0.3941732), wk = 0.0027778 k( 101) = ( 0.6032897 0.0881755 0.3941732), wk = 0.0027778 k( 102) = ( 0.6101757 0.0756818 0.3941732), wk = 0.0027778 k( 103) = ( 0.6170617 0.0631882 0.3941732), wk = 0.0027778 k( 104) = ( 0.6239477 0.0506946 0.3941732), wk = 0.0027778 k( 105) = ( 0.6308337 0.0382010 0.3941732), wk = 0.0027778 k( 106) = ( 0.6377196 0.0257073 0.3941732), wk = 0.0027778 k( 107) = ( 0.6446056 0.0132137 0.3941732), wk = 0.0027778 k( 108) = ( 0.6514916 0.0007201 0.3941732), wk = 0.0027778 k( 109) = ( 0.6583776 -0.0117735 0.3941732), wk = 0.0027778 k( 110) = ( 0.6652636 -0.0242672 0.3941732), wk = 0.0027778 k( 111) = ( 0.6721495 -0.0367608 0.3941732), wk = 0.0027778 k( 112) = ( 0.6790355 -0.0492544 0.3941732), wk = 0.0027778 k( 113) = ( 0.6859215 -0.0617480 0.3941732), wk = 0.0027778 k( 114) = ( 0.6928075 -0.0742417 0.3941732), wk = 0.0027778 k( 115) = ( 0.6996935 -0.0867353 0.3941732), wk = 0.0027778 k( 116) = ( 0.7065795 -0.0992289 0.3941732), wk = 0.0027778 k( 117) = ( 0.2934205 -0.5323694 0.5431028), wk = 0.0027778 k( 118) = ( 0.2864343 -0.5196939 0.5431028), wk = 0.0027778 k( 119) = ( 0.2794481 -0.5070185 0.5431028), wk = 0.0027778 k( 120) = ( 0.2724619 -0.4943430 0.5431028), wk = 0.0027778 k( 121) = ( 0.2654757 -0.4816675 0.5431028), wk = 0.0027778 k( 122) = ( 0.2584895 -0.4689921 0.5431028), wk = 0.0027778 k( 123) = ( 0.2515033 -0.4563166 0.5431028), wk = 0.0027778 k( 124) = ( 0.2445171 -0.4436412 0.5431028), wk = 0.0027778 k( 125) = ( 0.2375309 -0.4309657 0.5431028), wk = 0.0027778 k( 126) = ( 0.2305447 -0.4182902 0.5431028), wk = 0.0027778 k( 127) = ( 0.2235585 -0.4056148 0.5431028), wk = 0.0027778 k( 128) = ( 0.2165723 -0.3929393 0.5431028), wk = 0.0027778 k( 129) = ( 0.2095861 -0.3802639 0.5431028), wk = 0.0027778 k( 130) = ( 0.2025999 -0.3675884 0.5431028), wk = 0.0027778 k( 131) = ( 0.1956137 -0.3549129 0.5431028), wk = 0.0027778 k( 132) = ( 0.1886275 -0.3422375 0.5431028), wk = 0.0027778 k( 133) = ( 0.1816413 -0.3295620 0.5431028), wk = 0.0027778 k( 134) = ( 0.1746551 -0.3168865 0.5431028), wk = 0.0027778 k( 135) = ( 0.1676689 -0.3042111 0.5431028), wk = 0.0027778 k( 136) = ( 0.1606827 -0.2915356 0.5431028), wk = 0.0027778 k( 137) = ( 0.1536965 -0.2788602 0.5431028), wk = 0.0027778 k( 138) = ( 0.1467103 -0.2661847 0.5431028), wk = 0.0027778 k( 139) = ( 0.1397241 -0.2535092 0.5431028), wk = 0.0027778 k( 140) = ( 0.1327379 -0.2408338 0.5431028), wk = 0.0027778 k( 141) = ( 0.1257517 -0.2281583 0.5431028), wk = 0.0027778 k( 142) = ( 0.1187655 -0.2154829 0.5431028), wk = 0.0027778 k( 143) = ( 0.1117792 -0.2028074 0.5431028), wk = 0.0027778 k( 144) = ( 0.1047930 -0.1901319 0.5431028), wk = 0.0027778 k( 145) = ( 0.0978069 -0.1774565 0.5431028), wk = 0.0027778 k( 146) = ( 0.0908206 -0.1647810 0.5431028), wk = 0.0027778 k( 147) = ( 0.0838344 -0.1521055 0.5431028), wk = 0.0027778 k( 148) = ( 0.0768482 -0.1394301 0.5431028), wk = 0.0027778 k( 149) = ( 0.0698620 -0.1267546 0.5431028), wk = 0.0027778 k( 150) = ( 0.0628758 -0.1140792 0.5431028), wk = 0.0027778 k( 151) = ( 0.0558896 -0.1014037 0.5431028), wk = 0.0027778 k( 152) = ( 0.0489034 -0.0887282 0.5431028), wk = 0.0027778 k( 153) = ( 0.0419172 -0.0760528 0.5431028), wk = 0.0027778 k( 154) = ( 0.0349310 -0.0633773 0.5431028), wk = 0.0027778 k( 155) = ( 0.0279448 -0.0507018 0.5431028), wk = 0.0027778 k( 156) = ( 0.0209586 -0.0380264 0.5431028), wk = 0.0027778 k( 157) = ( 0.0139724 -0.0253509 0.5431028), wk = 0.0027778 k( 158) = ( 0.0069862 -0.0126755 0.5431028), wk = 0.0027778 k( 159) = ( 0.0000000 0.0000000 0.5431028), wk = 0.0027778 k( 160) = ( 0.0000000 0.0000000 0.5431028), wk = 0.0027778 k( 161) = ( 0.0128109 0.0070608 0.5431028), wk = 0.0027778 k( 162) = ( 0.0256217 0.0141217 0.5431028), wk = 0.0027778 k( 163) = ( 0.0384326 0.0211825 0.5431028), wk = 0.0027778 k( 164) = ( 0.0512435 0.0282433 0.5431028), wk = 0.0027778 k( 165) = ( 0.0640543 0.0353042 0.5431028), wk = 0.0027778 k( 166) = ( 0.0768652 0.0423650 0.5431028), wk = 0.0027778 k( 167) = ( 0.0896761 0.0494258 0.5431028), wk = 0.0027778 k( 168) = ( 0.1024869 0.0564867 0.5431028), wk = 0.0027778 k( 169) = ( 0.1152978 0.0635475 0.5431028), wk = 0.0027778 k( 170) = ( 0.1281087 0.0706083 0.5431028), wk = 0.0027778 k( 171) = ( 0.1409195 0.0776692 0.5431028), wk = 0.0027778 k( 172) = ( 0.1537304 0.0847300 0.5431028), wk = 0.0027778 k( 173) = ( 0.1665413 0.0917908 0.5431028), wk = 0.0027778 k( 174) = ( 0.1793521 0.0988517 0.5431028), wk = 0.0027778 k( 175) = ( 0.1921630 0.1059125 0.5431028), wk = 0.0027778 k( 176) = ( 0.2049739 0.1129733 0.5431028), wk = 0.0027778 k( 177) = ( 0.2177847 0.1200342 0.5431028), wk = 0.0027778 k( 178) = ( 0.2305956 0.1270950 0.5431028), wk = 0.0027778 k( 179) = ( 0.2434064 0.1341558 0.5431028), wk = 0.0027778 k( 180) = ( 0.2562173 0.1412167 0.5431028), wk = 0.0027778 k( 181) = ( 0.2690282 0.1482775 0.5431028), wk = 0.0027778 k( 182) = ( 0.2818390 0.1553383 0.5431028), wk = 0.0027778 k( 183) = ( 0.2946499 0.1623991 0.5431028), wk = 0.0027778 k( 184) = ( 0.3074608 0.1694600 0.5431028), wk = 0.0027778 k( 185) = ( 0.3202716 0.1765208 0.5431028), wk = 0.0027778 k( 186) = ( 0.3330825 0.1835816 0.5431028), wk = 0.0027778 k( 187) = ( 0.3458934 0.1906425 0.5431028), wk = 0.0027778 k( 188) = ( 0.3587042 0.1977033 0.5431028), wk = 0.0027778 k( 189) = ( 0.3715151 0.2047641 0.5431028), wk = 0.0027778 k( 190) = ( 0.3843260 0.2118250 0.5431028), wk = 0.0027778 k( 191) = ( 0.3971368 0.2188858 0.5431028), wk = 0.0027778 k( 192) = ( 0.4099477 0.2259466 0.5431028), wk = 0.0027778 k( 193) = ( 0.5000000 0.2755798 -0.1489296), wk = 0.0027778 k( 194) = ( 0.5070370 0.2628122 -0.1489296), wk = 0.0027778 k( 195) = ( 0.5140740 0.2500446 -0.1489296), wk = 0.0027778 k( 196) = ( 0.5211110 0.2372770 -0.1489296), wk = 0.0027778 k( 197) = ( 0.5281480 0.2245094 -0.1489296), wk = 0.0027778 k( 198) = ( 0.5351850 0.2117418 -0.1489296), wk = 0.0027778 k( 199) = ( 0.5422220 0.1989741 -0.1489296), wk = 0.0027778 k( 200) = ( 0.5492590 0.1862065 -0.1489296), wk = 0.0027778 k( 201) = ( 0.5562959 0.1734389 -0.1489296), wk = 0.0027778 k( 202) = ( 0.5633330 0.1606713 -0.1489296), wk = 0.0027778 k( 203) = ( 0.5703699 0.1479037 -0.1489296), wk = 0.0027778 k( 204) = ( 0.5774069 0.1351361 -0.1489296), wk = 0.0027778 k( 205) = ( 0.5844439 0.1223685 -0.1489296), wk = 0.0027778 k( 206) = ( 0.5914809 0.1096008 -0.1489296), wk = 0.0027778 k( 207) = ( 0.5985179 0.0968332 -0.1489296), wk = 0.0027778 k( 208) = ( 0.6055549 0.0840656 -0.1489296), wk = 0.0027778 k( 209) = ( 0.6125919 0.0712980 -0.1489296), wk = 0.0027778 k( 210) = ( 0.6196289 0.0585304 -0.1489296), wk = 0.0027778 k( 211) = ( 0.6266659 0.0457628 -0.1489296), wk = 0.0027778 k( 212) = ( 0.6337029 0.0329952 -0.1489296), wk = 0.0027778 k( 213) = ( 0.6407399 0.0202275 -0.1489296), wk = 0.0027778 k( 214) = ( 0.6477769 0.0074599 -0.1489296), wk = 0.0027778 k( 215) = ( 0.6548139 -0.0053077 -0.1489296), wk = 0.0027778 k( 216) = ( 0.6618509 -0.0180753 -0.1489296), wk = 0.0027778 k( 217) = ( 0.6688879 -0.0308429 -0.1489296), wk = 0.0027778 k( 218) = ( 0.3311121 -0.6007554 -0.0000000), wk = 0.0027778 k( 219) = ( 0.3240672 -0.5879734 -0.0000000), wk = 0.0027778 k( 220) = ( 0.3170223 -0.5751913 -0.0000000), wk = 0.0027778 k( 221) = ( 0.3099773 -0.5624093 -0.0000000), wk = 0.0027778 k( 222) = ( 0.3029324 -0.5496273 -0.0000000), wk = 0.0027778 k( 223) = ( 0.2958874 -0.5368452 -0.0000000), wk = 0.0027778 k( 224) = ( 0.2888425 -0.5240632 -0.0000000), wk = 0.0027778 k( 225) = ( 0.2817976 -0.5112812 -0.0000000), wk = 0.0027778 k( 226) = ( 0.2747526 -0.4984991 -0.0000000), wk = 0.0027778 k( 227) = ( 0.2677077 -0.4857171 -0.0000000), wk = 0.0027778 k( 228) = ( 0.2606627 -0.4729351 -0.0000000), wk = 0.0027778 k( 229) = ( 0.2536178 -0.4601531 -0.0000000), wk = 0.0027778 k( 230) = ( 0.2465729 -0.4473710 -0.0000000), wk = 0.0027778 k( 231) = ( 0.2395279 -0.4345890 -0.0000000), wk = 0.0027778 k( 232) = ( 0.2324830 -0.4218070 -0.0000000), wk = 0.0027778 k( 233) = ( 0.2254381 -0.4090249 -0.0000000), wk = 0.0027778 k( 234) = ( 0.2183931 -0.3962429 -0.0000000), wk = 0.0027778 k( 235) = ( 0.2113482 -0.3834609 -0.0000000), wk = 0.0027778 k( 236) = ( 0.2043032 -0.3706788 -0.0000000), wk = 0.0027778 k( 237) = ( 0.1972583 -0.3578968 -0.0000000), wk = 0.0027778 k( 238) = ( 0.1902134 -0.3451148 -0.0000000), wk = 0.0027778 k( 239) = ( 0.1831684 -0.3323328 -0.0000000), wk = 0.0027778 k( 240) = ( 0.1761235 -0.3195507 -0.0000000), wk = 0.0027778 k( 241) = ( 0.1690785 -0.3067687 -0.0000000), wk = 0.0027778 k( 242) = ( 0.1620336 -0.2939867 -0.0000000), wk = 0.0027778 k( 243) = ( 0.1549887 -0.2812046 -0.0000000), wk = 0.0027778 k( 244) = ( 0.1479437 -0.2684226 -0.0000000), wk = 0.0027778 k( 245) = ( 0.1408988 -0.2556406 -0.0000000), wk = 0.0027778 k( 246) = ( 0.1338538 -0.2428586 -0.0000000), wk = 0.0027778 k( 247) = ( 0.1268089 -0.2300765 -0.0000000), wk = 0.0027778 k( 248) = ( 0.1197640 -0.2172945 -0.0000000), wk = 0.0027778 k( 249) = ( 0.1127190 -0.2045125 -0.0000000), wk = 0.0027778 k( 250) = ( 0.1056741 -0.1917304 -0.0000000), wk = 0.0027778 k( 251) = ( 0.0986291 -0.1789484 -0.0000000), wk = 0.0027778 k( 252) = ( 0.0915842 -0.1661664 -0.0000000), wk = 0.0027778 k( 253) = ( 0.0845393 -0.1533844 -0.0000000), wk = 0.0027778 k( 254) = ( 0.0774943 -0.1406023 -0.0000000), wk = 0.0027778 k( 255) = ( 0.0704494 -0.1278203 -0.0000000), wk = 0.0027778 k( 256) = ( 0.0634045 -0.1150383 -0.0000000), wk = 0.0027778 k( 257) = ( 0.0563595 -0.1022562 -0.0000000), wk = 0.0027778 k( 258) = ( 0.0493146 -0.0894742 -0.0000000), wk = 0.0027778 k( 259) = ( 0.0422696 -0.0766922 -0.0000000), wk = 0.0027778 k( 260) = ( 0.0352247 -0.0639102 -0.0000000), wk = 0.0027778 k( 261) = ( 0.0281798 -0.0511281 -0.0000000), wk = 0.0027778 k( 262) = ( 0.0211348 -0.0383461 -0.0000000), wk = 0.0027778 k( 263) = ( 0.0140899 -0.0255641 -0.0000000), wk = 0.0027778 k( 264) = ( 0.0070449 -0.0127820 -0.0000000), wk = 0.0027778 k( 265) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 266) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 267) = ( 0.0121951 -0.0077024 -0.0018162), wk = 0.0027778 k( 268) = ( 0.0243902 -0.0154048 -0.0036324), wk = 0.0027778 k( 269) = ( 0.0365854 -0.0231073 -0.0054486), wk = 0.0027778 k( 270) = ( 0.0487805 -0.0308097 -0.0072649), wk = 0.0027778 k( 271) = ( 0.0609756 -0.0385121 -0.0090811), wk = 0.0027778 k( 272) = ( 0.0731707 -0.0462145 -0.0108973), wk = 0.0027778 k( 273) = ( 0.0853658 -0.0539169 -0.0127135), wk = 0.0027778 k( 274) = ( 0.0975610 -0.0616193 -0.0145297), wk = 0.0027778 k( 275) = ( 0.1097561 -0.0693218 -0.0163459), wk = 0.0027778 k( 276) = ( 0.1219512 -0.0770242 -0.0181621), wk = 0.0027778 k( 277) = ( 0.1341463 -0.0847266 -0.0199784), wk = 0.0027778 k( 278) = ( 0.1463415 -0.0924290 -0.0217946), wk = 0.0027778 k( 279) = ( 0.1585366 -0.1001314 -0.0236108), wk = 0.0027778 k( 280) = ( 0.1707317 -0.1078339 -0.0254270), wk = 0.0027778 k( 281) = ( 0.1829268 -0.1155363 -0.0272432), wk = 0.0027778 k( 282) = ( 0.1951219 -0.1232387 -0.0290594), wk = 0.0027778 k( 283) = ( 0.2073171 -0.1309411 -0.0308756), wk = 0.0027778 k( 284) = ( 0.2195122 -0.1386435 -0.0326919), wk = 0.0027778 k( 285) = ( 0.2317073 -0.1463460 -0.0345081), wk = 0.0027778 k( 286) = ( 0.2439024 -0.1540484 -0.0363243), wk = 0.0027778 k( 287) = ( 0.2560976 -0.1617508 -0.0381405), wk = 0.0027778 k( 288) = ( 0.2682927 -0.1694532 -0.0399567), wk = 0.0027778 k( 289) = ( 0.2804878 -0.1771556 -0.0417729), wk = 0.0027778 k( 290) = ( 0.2926829 -0.1848580 -0.0435891), wk = 0.0027778 k( 291) = ( 0.3048781 -0.1925605 -0.0454054), wk = 0.0027778 k( 292) = ( 0.3170732 -0.2002629 -0.0472216), wk = 0.0027778 k( 293) = ( 0.3292683 -0.2079653 -0.0490378), wk = 0.0027778 k( 294) = ( 0.3414634 -0.2156677 -0.0508540), wk = 0.0027778 k( 295) = ( 0.3536585 -0.2233701 -0.0526702), wk = 0.0027778 k( 296) = ( 0.3658537 -0.2310726 -0.0544864), wk = 0.0027778 k( 297) = ( 0.3780488 -0.2387750 -0.0563026), wk = 0.0027778 k( 298) = ( 0.3902439 -0.2464774 -0.0581189), wk = 0.0027778 k( 299) = ( 0.4024390 -0.2541798 -0.0599351), wk = 0.0027778 k( 300) = ( 0.4146341 -0.2618822 -0.0617513), wk = 0.0027778 k( 301) = ( 0.4268293 -0.2695846 -0.0635675), wk = 0.0027778 k( 302) = ( 0.4390244 -0.2772871 -0.0653837), wk = 0.0027778 k( 303) = ( 0.4512195 -0.2849895 -0.0671999), wk = 0.0027778 k( 304) = ( 0.4634146 -0.2926919 -0.0690161), wk = 0.0027778 k( 305) = ( 0.4756098 -0.3003943 -0.0708324), wk = 0.0027778 k( 306) = ( 0.4878049 -0.3080967 -0.0726486), wk = 0.0027778 k( 307) = ( 0.5000000 -0.3157992 -0.0744648), wk = 0.0027778 k( 308) = ( 0.5000000 -0.3157992 0.4686380), wk = 0.0027778 k( 309) = ( 0.4903846 -0.3097261 0.4596257), wk = 0.0027778 k( 310) = ( 0.4807692 -0.3036530 0.4506135), wk = 0.0027778 k( 311) = ( 0.4711538 -0.2975800 0.4416012), wk = 0.0027778 k( 312) = ( 0.4615385 -0.2915069 0.4325889), wk = 0.0027778 k( 313) = ( 0.4519231 -0.2854339 0.4235767), wk = 0.0027778 k( 314) = ( 0.4423077 -0.2793608 0.4145644), wk = 0.0027778 k( 315) = ( 0.4326923 -0.2732877 0.4055521), wk = 0.0027778 k( 316) = ( 0.4230769 -0.2672147 0.3965399), wk = 0.0027778 k( 317) = ( 0.4134615 -0.2611416 0.3875276), wk = 0.0027778 k( 318) = ( 0.4038462 -0.2550685 0.3785153), wk = 0.0027778 k( 319) = ( 0.3942308 -0.2489955 0.3695030), wk = 0.0027778 k( 320) = ( 0.3846154 -0.2429224 0.3604908), wk = 0.0027778 k( 321) = ( 0.3750000 -0.2368494 0.3514785), wk = 0.0027778 k( 322) = ( 0.3653846 -0.2307763 0.3424662), wk = 0.0027778 k( 323) = ( 0.3557692 -0.2247032 0.3334540), wk = 0.0027778 k( 324) = ( 0.3461538 -0.2186302 0.3244417), wk = 0.0027778 k( 325) = ( 0.3365385 -0.2125571 0.3154294), wk = 0.0027778 k( 326) = ( 0.3269231 -0.2064841 0.3064172), wk = 0.0027778 k( 327) = ( 0.3173077 -0.2004110 0.2974049), wk = 0.0027778 k( 328) = ( 0.3076923 -0.1943379 0.2883926), wk = 0.0027778 k( 329) = ( 0.2980769 -0.1882649 0.2793804), wk = 0.0027778 k( 330) = ( 0.2884615 -0.1821918 0.2703681), wk = 0.0027778 k( 331) = ( 0.2788462 -0.1761188 0.2613558), wk = 0.0027778 k( 332) = ( 0.2692308 -0.1700457 0.2523435), wk = 0.0027778 k( 333) = ( 0.2596154 -0.1639726 0.2433313), wk = 0.0027778 k( 334) = ( 0.2500000 -0.1578996 0.2343190), wk = 0.0027778 k( 335) = ( 0.2403846 -0.1518265 0.2253067), wk = 0.0027778 k( 336) = ( 0.2307692 -0.1457535 0.2162945), wk = 0.0027778 k( 337) = ( 0.2211539 -0.1396804 0.2072822), wk = 0.0027778 k( 338) = ( 0.2115385 -0.1336073 0.1982699), wk = 0.0027778 k( 339) = ( 0.2019231 -0.1275343 0.1892577), wk = 0.0027778 k( 340) = ( 0.1923077 -0.1214612 0.1802454), wk = 0.0027778 k( 341) = ( 0.1826923 -0.1153882 0.1712331), wk = 0.0027778 k( 342) = ( 0.1730769 -0.1093151 0.1622208), wk = 0.0027778 k( 343) = ( 0.1634615 -0.1032420 0.1532086), wk = 0.0027778 k( 344) = ( 0.1538461 -0.0971690 0.1441963), wk = 0.0027778 k( 345) = ( 0.1442308 -0.0910959 0.1351840), wk = 0.0027778 k( 346) = ( 0.1346154 -0.0850228 0.1261718), wk = 0.0027778 k( 347) = ( 0.1250000 -0.0789498 0.1171595), wk = 0.0027778 k( 348) = ( 0.1153846 -0.0728767 0.1081472), wk = 0.0027778 k( 349) = ( 0.1057692 -0.0668037 0.0991350), wk = 0.0027778 k( 350) = ( 0.0961538 -0.0607306 0.0901227), wk = 0.0027778 k( 351) = ( 0.0865385 -0.0546575 0.0811104), wk = 0.0027778 k( 352) = ( 0.0769231 -0.0485845 0.0720982), wk = 0.0027778 k( 353) = ( 0.0673077 -0.0425114 0.0630859), wk = 0.0027778 k( 354) = ( 0.0576923 -0.0364384 0.0540736), wk = 0.0027778 k( 355) = ( 0.0480769 -0.0303653 0.0450613), wk = 0.0027778 k( 356) = ( 0.0384615 -0.0242922 0.0360491), wk = 0.0027778 k( 357) = ( 0.0288462 -0.0182192 0.0270368), wk = 0.0027778 k( 358) = ( 0.0192308 -0.0121461 0.0180245), wk = 0.0027778 k( 359) = ( 0.0096154 -0.0060731 0.0090123), wk = 0.0027778 k( 360) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 2) = ( 0.0121951 0.0121951 0.0000000), wk = 0.0027778 k( 3) = ( 0.0243902 0.0243902 0.0000000), wk = 0.0027778 k( 4) = ( 0.0365854 0.0365854 0.0000000), wk = 0.0027778 k( 5) = ( 0.0487805 0.0487805 0.0000000), wk = 0.0027778 k( 6) = ( 0.0609756 0.0609756 0.0000000), wk = 0.0027778 k( 7) = ( 0.0731707 0.0731707 -0.0000000), wk = 0.0027778 k( 8) = ( 0.0853658 0.0853658 0.0000000), wk = 0.0027778 k( 9) = ( 0.0975610 0.0975610 0.0000000), wk = 0.0027778 k( 10) = ( 0.1097561 0.1097561 0.0000000), wk = 0.0027778 k( 11) = ( 0.1219512 0.1219512 0.0000000), wk = 0.0027778 k( 12) = ( 0.1341463 0.1341463 0.0000000), wk = 0.0027778 k( 13) = ( 0.1463415 0.1463415 -0.0000000), wk = 0.0027778 k( 14) = ( 0.1585366 0.1585366 0.0000000), wk = 0.0027778 k( 15) = ( 0.1707317 0.1707317 0.0000000), wk = 0.0027778 k( 16) = ( 0.1829268 0.1829268 0.0000000), wk = 0.0027778 k( 17) = ( 0.1951219 0.1951219 0.0000000), wk = 0.0027778 k( 18) = ( 0.2073171 0.2073171 0.0000000), wk = 0.0027778 k( 19) = ( 0.2195122 0.2195122 0.0000000), wk = 0.0027778 k( 20) = ( 0.2317073 0.2317073 0.0000000), wk = 0.0027778 k( 21) = ( 0.2439024 0.2439024 0.0000000), wk = 0.0027778 k( 22) = ( 0.2560976 0.2560976 0.0000000), wk = 0.0027778 k( 23) = ( 0.2682927 0.2682927 0.0000000), wk = 0.0027778 k( 24) = ( 0.2804878 0.2804878 0.0000000), wk = 0.0027778 k( 25) = ( 0.2926829 0.2926829 0.0000000), wk = 0.0027778 k( 26) = ( 0.3048781 0.3048781 0.0000000), wk = 0.0027778 k( 27) = ( 0.3170732 0.3170732 0.0000000), wk = 0.0027778 k( 28) = ( 0.3292683 0.3292683 0.0000000), wk = 0.0027778 k( 29) = ( 0.3414634 0.3414634 0.0000000), wk = 0.0027778 k( 30) = ( 0.3536585 0.3536585 0.0000000), wk = 0.0027778 k( 31) = ( 0.3658537 0.3658537 0.0000000), wk = 0.0027778 k( 32) = ( 0.3780488 0.3780488 0.0000000), wk = 0.0027778 k( 33) = ( 0.3902439 0.3902439 0.0000000), wk = 0.0027778 k( 34) = ( 0.4024390 0.4024390 -0.0000000), wk = 0.0027778 k( 35) = ( 0.4146341 0.4146341 0.0000000), wk = 0.0027778 k( 36) = ( 0.4268293 0.4268293 0.0000000), wk = 0.0027778 k( 37) = ( 0.4390244 0.4390244 0.0000000), wk = 0.0027778 k( 38) = ( 0.4512195 0.4512195 0.0000000), wk = 0.0027778 k( 39) = ( 0.4634146 0.4634146 0.0000000), wk = 0.0027778 k( 40) = ( 0.4756098 0.4756098 0.0000000), wk = 0.0027778 k( 41) = ( 0.4878049 0.4878049 0.0000000), wk = 0.0027778 k( 42) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027778 k( 43) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027778 k( 44) = ( 0.5032161 0.5032161 0.0138423), wk = 0.0027778 k( 45) = ( 0.5064323 0.5064323 0.0276846), wk = 0.0027778 k( 46) = ( 0.5096485 0.5096485 0.0415269), wk = 0.0027778 k( 47) = ( 0.5128646 0.5128646 0.0553692), wk = 0.0027778 k( 48) = ( 0.5160808 0.5160808 0.0692115), wk = 0.0027778 k( 49) = ( 0.5192969 0.5192969 0.0830538), wk = 0.0027778 k( 50) = ( 0.5225131 0.5225131 0.0968961), wk = 0.0027778 k( 51) = ( 0.5257292 0.5257292 0.1107383), wk = 0.0027778 k( 52) = ( 0.5289454 0.5289454 0.1245806), wk = 0.0027778 k( 53) = ( 0.5321615 0.5321615 0.1384229), wk = 0.0027778 k( 54) = ( 0.5353777 0.5353777 0.1522652), wk = 0.0027778 k( 55) = ( 0.5385938 0.5385938 0.1661075), wk = 0.0027778 k( 56) = ( 0.5418100 0.5418100 0.1799498), wk = 0.0027778 k( 57) = ( 0.5450261 0.5450261 0.1937921), wk = 0.0027778 k( 58) = ( 0.5482423 0.5482423 0.2076344), wk = 0.0027778 k( 59) = ( 0.5514585 0.5514585 0.2214767), wk = 0.0027778 k( 60) = ( 0.5546746 0.5546746 0.2353190), wk = 0.0027778 k( 61) = ( 0.5578908 0.5578908 0.2491613), wk = 0.0027778 k( 62) = ( 0.5611069 0.5611069 0.2630036), wk = 0.0027778 k( 63) = ( 0.5643231 0.5643231 0.2768459), wk = 0.0027778 k( 64) = ( 0.5675392 0.5675392 0.2906881), wk = 0.0027778 k( 65) = ( 0.5707554 0.5707554 0.3045304), wk = 0.0027778 k( 66) = ( 0.5739715 0.5739715 0.3183727), wk = 0.0027778 k( 67) = ( 0.5771877 0.5771877 0.3322150), wk = 0.0027778 k( 68) = ( 0.5804038 0.5804038 0.3460573), wk = 0.0027778 k( 69) = ( 0.5836200 0.5836200 0.3598996), wk = 0.0027778 k( 70) = ( 0.5868361 0.5868361 0.3737419), wk = 0.0027778 k( 71) = ( 0.5900523 0.5900523 0.3875842), wk = 0.0027778 k( 72) = ( 0.5900523 0.5900523 0.3875842), wk = 0.0027778 k( 73) = ( 0.5831252 0.5831252 0.3962316), wk = 0.0027778 k( 74) = ( 0.5761981 0.5761981 0.4048789), wk = 0.0027778 k( 75) = ( 0.5692710 0.5692710 0.4135263), wk = 0.0027778 k( 76) = ( 0.5623439 0.5623439 0.4221737), wk = 0.0027778 k( 77) = ( 0.5554168 0.5554168 0.4308210), wk = 0.0027778 k( 78) = ( 0.5484897 0.5484897 0.4394684), wk = 0.0027778 k( 79) = ( 0.5415626 0.5415626 0.4481158), wk = 0.0027778 k( 80) = ( 0.5346355 0.5346355 0.4567632), wk = 0.0027778 k( 81) = ( 0.5277084 0.5277084 0.4654105), wk = 0.0027778 k( 82) = ( 0.5207813 0.5207813 0.4740579), wk = 0.0027778 k( 83) = ( 0.5138542 0.5138542 0.4827053), wk = 0.0027778 k( 84) = ( 0.5069271 0.5069271 0.4913526), wk = 0.0027778 k( 85) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027778 k( 86) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027778 k( 87) = ( 0.5068860 0.4931140 0.5000000), wk = 0.0027778 k( 88) = ( 0.5137720 0.4862280 0.5000000), wk = 0.0027778 k( 89) = ( 0.5206580 0.4793421 0.5000000), wk = 0.0027778 k( 90) = ( 0.5275439 0.4724561 0.5000000), wk = 0.0027778 k( 91) = ( 0.5344299 0.4655701 0.5000000), wk = 0.0027778 k( 92) = ( 0.5413159 0.4586841 0.5000000), wk = 0.0027778 k( 93) = ( 0.5482019 0.4517981 0.5000000), wk = 0.0027778 k( 94) = ( 0.5550879 0.4449121 0.5000000), wk = 0.0027778 k( 95) = ( 0.5619738 0.4380262 0.5000000), wk = 0.0027778 k( 96) = ( 0.5688598 0.4311402 0.5000000), wk = 0.0027778 k( 97) = ( 0.5757458 0.4242542 0.5000000), wk = 0.0027778 k( 98) = ( 0.5826318 0.4173682 0.5000000), wk = 0.0027778 k( 99) = ( 0.5895178 0.4104822 0.5000000), wk = 0.0027778 k( 100) = ( 0.5964038 0.4035962 0.5000000), wk = 0.0027778 k( 101) = ( 0.6032897 0.3967103 0.5000000), wk = 0.0027778 k( 102) = ( 0.6101757 0.3898243 0.5000000), wk = 0.0027778 k( 103) = ( 0.6170617 0.3829383 0.5000000), wk = 0.0027778 k( 104) = ( 0.6239477 0.3760523 0.5000000), wk = 0.0027778 k( 105) = ( 0.6308337 0.3691663 0.5000000), wk = 0.0027778 k( 106) = ( 0.6377196 0.3622804 0.5000000), wk = 0.0027778 k( 107) = ( 0.6446056 0.3553944 0.5000000), wk = 0.0027778 k( 108) = ( 0.6514916 0.3485084 0.5000000), wk = 0.0027778 k( 109) = ( 0.6583776 0.3416224 0.5000000), wk = 0.0027778 k( 110) = ( 0.6652636 0.3347364 0.5000000), wk = 0.0027778 k( 111) = ( 0.6721495 0.3278504 0.5000000), wk = 0.0027778 k( 112) = ( 0.6790355 0.3209645 0.5000000), wk = 0.0027778 k( 113) = ( 0.6859215 0.3140785 0.5000000), wk = 0.0027778 k( 114) = ( 0.6928075 0.3071925 0.5000000), wk = 0.0027778 k( 115) = ( 0.6996935 0.3003065 0.5000000), wk = 0.0027778 k( 116) = ( 0.7065795 0.2934205 0.5000000), wk = 0.0027778 k( 117) = ( 0.2934205 -0.2934205 0.5000000), wk = 0.0027778 k( 118) = ( 0.2864343 -0.2864343 0.5000000), wk = 0.0027778 k( 119) = ( 0.2794481 -0.2794481 0.5000000), wk = 0.0027778 k( 120) = ( 0.2724619 -0.2724619 0.5000000), wk = 0.0027778 k( 121) = ( 0.2654757 -0.2654757 0.5000000), wk = 0.0027778 k( 122) = ( 0.2584895 -0.2584895 0.5000000), wk = 0.0027778 k( 123) = ( 0.2515033 -0.2515033 0.5000000), wk = 0.0027778 k( 124) = ( 0.2445171 -0.2445171 0.5000000), wk = 0.0027778 k( 125) = ( 0.2375309 -0.2375309 0.5000000), wk = 0.0027778 k( 126) = ( 0.2305447 -0.2305447 0.5000000), wk = 0.0027778 k( 127) = ( 0.2235585 -0.2235585 0.5000000), wk = 0.0027778 k( 128) = ( 0.2165723 -0.2165723 0.5000000), wk = 0.0027778 k( 129) = ( 0.2095861 -0.2095861 0.5000000), wk = 0.0027778 k( 130) = ( 0.2025999 -0.2025999 0.5000000), wk = 0.0027778 k( 131) = ( 0.1956137 -0.1956137 0.5000000), wk = 0.0027778 k( 132) = ( 0.1886275 -0.1886275 0.5000000), wk = 0.0027778 k( 133) = ( 0.1816413 -0.1816413 0.5000000), wk = 0.0027778 k( 134) = ( 0.1746551 -0.1746551 0.5000000), wk = 0.0027778 k( 135) = ( 0.1676689 -0.1676689 0.5000000), wk = 0.0027778 k( 136) = ( 0.1606827 -0.1606827 0.5000000), wk = 0.0027778 k( 137) = ( 0.1536965 -0.1536965 0.5000000), wk = 0.0027778 k( 138) = ( 0.1467103 -0.1467103 0.5000000), wk = 0.0027778 k( 139) = ( 0.1397241 -0.1397241 0.5000000), wk = 0.0027778 k( 140) = ( 0.1327379 -0.1327379 0.5000000), wk = 0.0027778 k( 141) = ( 0.1257517 -0.1257517 0.5000000), wk = 0.0027778 k( 142) = ( 0.1187655 -0.1187655 0.5000000), wk = 0.0027778 k( 143) = ( 0.1117792 -0.1117792 0.5000000), wk = 0.0027778 k( 144) = ( 0.1047930 -0.1047930 0.5000000), wk = 0.0027778 k( 145) = ( 0.0978069 -0.0978069 0.5000000), wk = 0.0027778 k( 146) = ( 0.0908206 -0.0908206 0.5000000), wk = 0.0027778 k( 147) = ( 0.0838344 -0.0838344 0.5000000), wk = 0.0027778 k( 148) = ( 0.0768482 -0.0768482 0.5000000), wk = 0.0027778 k( 149) = ( 0.0698620 -0.0698620 0.5000000), wk = 0.0027778 k( 150) = ( 0.0628758 -0.0628758 0.5000000), wk = 0.0027778 k( 151) = ( 0.0558896 -0.0558896 0.5000000), wk = 0.0027778 k( 152) = ( 0.0489034 -0.0489034 0.5000000), wk = 0.0027778 k( 153) = ( 0.0419172 -0.0419172 0.5000000), wk = 0.0027778 k( 154) = ( 0.0349310 -0.0349310 0.5000000), wk = 0.0027778 k( 155) = ( 0.0279448 -0.0279448 0.5000000), wk = 0.0027778 k( 156) = ( 0.0209586 -0.0209586 0.5000000), wk = 0.0027778 k( 157) = ( 0.0139724 -0.0139724 0.5000000), wk = 0.0027778 k( 158) = ( 0.0069862 -0.0069862 0.5000000), wk = 0.0027778 k( 159) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027778 k( 160) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027778 k( 161) = ( 0.0128109 0.0128109 0.5035130), wk = 0.0027778 k( 162) = ( 0.0256217 0.0256217 0.5070260), wk = 0.0027778 k( 163) = ( 0.0384326 0.0384326 0.5105390), wk = 0.0027778 k( 164) = ( 0.0512435 0.0512435 0.5140520), wk = 0.0027778 k( 165) = ( 0.0640543 0.0640543 0.5175650), wk = 0.0027778 k( 166) = ( 0.0768652 0.0768652 0.5210780), wk = 0.0027778 k( 167) = ( 0.0896761 0.0896761 0.5245910), wk = 0.0027778 k( 168) = ( 0.1024869 0.1024869 0.5281039), wk = 0.0027778 k( 169) = ( 0.1152978 0.1152978 0.5316169), wk = 0.0027778 k( 170) = ( 0.1281087 0.1281087 0.5351299), wk = 0.0027778 k( 171) = ( 0.1409195 0.1409195 0.5386429), wk = 0.0027778 k( 172) = ( 0.1537304 0.1537304 0.5421559), wk = 0.0027778 k( 173) = ( 0.1665413 0.1665413 0.5456689), wk = 0.0027778 k( 174) = ( 0.1793521 0.1793521 0.5491819), wk = 0.0027778 k( 175) = ( 0.1921630 0.1921630 0.5526949), wk = 0.0027778 k( 176) = ( 0.2049739 0.2049739 0.5562079), wk = 0.0027778 k( 177) = ( 0.2177847 0.2177847 0.5597209), wk = 0.0027778 k( 178) = ( 0.2305956 0.2305956 0.5632339), wk = 0.0027778 k( 179) = ( 0.2434064 0.2434064 0.5667469), wk = 0.0027778 k( 180) = ( 0.2562173 0.2562173 0.5702599), wk = 0.0027778 k( 181) = ( 0.2690282 0.2690282 0.5737729), wk = 0.0027778 k( 182) = ( 0.2818390 0.2818390 0.5772859), wk = 0.0027778 k( 183) = ( 0.2946499 0.2946499 0.5807989), wk = 0.0027778 k( 184) = ( 0.3074608 0.3074608 0.5843119), wk = 0.0027778 k( 185) = ( 0.3202716 0.3202716 0.5878248), wk = 0.0027778 k( 186) = ( 0.3330825 0.3330825 0.5913379), wk = 0.0027778 k( 187) = ( 0.3458934 0.3458934 0.5948508), wk = 0.0027778 k( 188) = ( 0.3587042 0.3587042 0.5983638), wk = 0.0027778 k( 189) = ( 0.3715151 0.3715151 0.6018768), wk = 0.0027778 k( 190) = ( 0.3843260 0.3843260 0.6053898), wk = 0.0027778 k( 191) = ( 0.3971368 0.3971368 0.6089028), wk = 0.0027778 k( 192) = ( 0.4099477 0.4099477 0.6124158), wk = 0.0027778 k( 193) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027778 k( 194) = ( 0.5070370 0.4929630 0.0000000), wk = 0.0027778 k( 195) = ( 0.5140740 0.4859260 0.0000000), wk = 0.0027778 k( 196) = ( 0.5211110 0.4788890 0.0000000), wk = 0.0027778 k( 197) = ( 0.5281480 0.4718520 0.0000000), wk = 0.0027778 k( 198) = ( 0.5351850 0.4648150 0.0000000), wk = 0.0027778 k( 199) = ( 0.5422220 0.4577780 0.0000000), wk = 0.0027778 k( 200) = ( 0.5492590 0.4507410 0.0000000), wk = 0.0027778 k( 201) = ( 0.5562959 0.4437041 0.0000000), wk = 0.0027778 k( 202) = ( 0.5633330 0.4366671 0.0000000), wk = 0.0027778 k( 203) = ( 0.5703699 0.4296301 0.0000000), wk = 0.0027778 k( 204) = ( 0.5774069 0.4225931 0.0000000), wk = 0.0027778 k( 205) = ( 0.5844439 0.4155561 0.0000000), wk = 0.0027778 k( 206) = ( 0.5914809 0.4085191 0.0000000), wk = 0.0027778 k( 207) = ( 0.5985179 0.4014821 0.0000000), wk = 0.0027778 k( 208) = ( 0.6055549 0.3944451 0.0000000), wk = 0.0027778 k( 209) = ( 0.6125919 0.3874081 0.0000000), wk = 0.0027778 k( 210) = ( 0.6196289 0.3803711 0.0000000), wk = 0.0027778 k( 211) = ( 0.6266659 0.3733341 0.0000000), wk = 0.0027778 k( 212) = ( 0.6337029 0.3662971 0.0000000), wk = 0.0027778 k( 213) = ( 0.6407399 0.3592601 0.0000000), wk = 0.0027778 k( 214) = ( 0.6477769 0.3522231 0.0000000), wk = 0.0027778 k( 215) = ( 0.6548139 0.3451861 0.0000000), wk = 0.0027778 k( 216) = ( 0.6618509 0.3381491 0.0000000), wk = 0.0027778 k( 217) = ( 0.6688879 0.3311121 0.0000000), wk = 0.0027778 k( 218) = ( 0.3311121 -0.3311121 0.0000000), wk = 0.0027778 k( 219) = ( 0.3240672 -0.3240672 0.0000000), wk = 0.0027778 k( 220) = ( 0.3170223 -0.3170223 0.0000000), wk = 0.0027778 k( 221) = ( 0.3099773 -0.3099773 -0.0000000), wk = 0.0027778 k( 222) = ( 0.3029324 -0.3029324 -0.0000000), wk = 0.0027778 k( 223) = ( 0.2958874 -0.2958874 -0.0000000), wk = 0.0027778 k( 224) = ( 0.2888425 -0.2888425 0.0000000), wk = 0.0027778 k( 225) = ( 0.2817976 -0.2817976 0.0000000), wk = 0.0027778 k( 226) = ( 0.2747526 -0.2747526 -0.0000000), wk = 0.0027778 k( 227) = ( 0.2677077 -0.2677077 0.0000000), wk = 0.0027778 k( 228) = ( 0.2606627 -0.2606627 0.0000000), wk = 0.0027778 k( 229) = ( 0.2536178 -0.2536178 0.0000000), wk = 0.0027778 k( 230) = ( 0.2465729 -0.2465729 0.0000000), wk = 0.0027778 k( 231) = ( 0.2395279 -0.2395279 0.0000000), wk = 0.0027778 k( 232) = ( 0.2324830 -0.2324830 -0.0000000), wk = 0.0027778 k( 233) = ( 0.2254381 -0.2254381 -0.0000000), wk = 0.0027778 k( 234) = ( 0.2183931 -0.2183931 -0.0000000), wk = 0.0027778 k( 235) = ( 0.2113482 -0.2113482 -0.0000000), wk = 0.0027778 k( 236) = ( 0.2043032 -0.2043032 -0.0000000), wk = 0.0027778 k( 237) = ( 0.1972583 -0.1972583 0.0000000), wk = 0.0027778 k( 238) = ( 0.1902134 -0.1902134 0.0000000), wk = 0.0027778 k( 239) = ( 0.1831684 -0.1831684 0.0000000), wk = 0.0027778 k( 240) = ( 0.1761235 -0.1761235 -0.0000000), wk = 0.0027778 k( 241) = ( 0.1690785 -0.1690785 0.0000000), wk = 0.0027778 k( 242) = ( 0.1620336 -0.1620336 0.0000000), wk = 0.0027778 k( 243) = ( 0.1549887 -0.1549887 -0.0000000), wk = 0.0027778 k( 244) = ( 0.1479437 -0.1479437 -0.0000000), wk = 0.0027778 k( 245) = ( 0.1408988 -0.1408988 0.0000000), wk = 0.0027778 k( 246) = ( 0.1338538 -0.1338538 -0.0000000), wk = 0.0027778 k( 247) = ( 0.1268089 -0.1268089 -0.0000000), wk = 0.0027778 k( 248) = ( 0.1197640 -0.1197640 0.0000000), wk = 0.0027778 k( 249) = ( 0.1127190 -0.1127190 -0.0000000), wk = 0.0027778 k( 250) = ( 0.1056741 -0.1056741 0.0000000), wk = 0.0027778 k( 251) = ( 0.0986291 -0.0986291 -0.0000000), wk = 0.0027778 k( 252) = ( 0.0915842 -0.0915842 0.0000000), wk = 0.0027778 k( 253) = ( 0.0845393 -0.0845393 0.0000000), wk = 0.0027778 k( 254) = ( 0.0774943 -0.0774943 -0.0000000), wk = 0.0027778 k( 255) = ( 0.0704494 -0.0704494 0.0000000), wk = 0.0027778 k( 256) = ( 0.0634045 -0.0634045 -0.0000000), wk = 0.0027778 k( 257) = ( 0.0563595 -0.0563595 -0.0000000), wk = 0.0027778 k( 258) = ( 0.0493146 -0.0493146 -0.0000000), wk = 0.0027778 k( 259) = ( 0.0422696 -0.0422696 0.0000000), wk = 0.0027778 k( 260) = ( 0.0352247 -0.0352247 0.0000000), wk = 0.0027778 k( 261) = ( 0.0281798 -0.0281798 -0.0000000), wk = 0.0027778 k( 262) = ( 0.0211348 -0.0211348 -0.0000000), wk = 0.0027778 k( 263) = ( 0.0140899 -0.0140899 -0.0000000), wk = 0.0027778 k( 264) = ( 0.0070449 -0.0070449 -0.0000000), wk = 0.0027778 k( 265) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 266) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 267) = ( 0.0121951 -0.0000000 0.0000000), wk = 0.0027778 k( 268) = ( 0.0243902 -0.0000000 0.0000000), wk = 0.0027778 k( 269) = ( 0.0365854 0.0000000 0.0000000), wk = 0.0027778 k( 270) = ( 0.0487805 0.0000000 0.0000000), wk = 0.0027778 k( 271) = ( 0.0609756 0.0000000 0.0000000), wk = 0.0027778 k( 272) = ( 0.0731707 0.0000000 0.0000000), wk = 0.0027778 k( 273) = ( 0.0853658 0.0000000 -0.0000000), wk = 0.0027778 k( 274) = ( 0.0975610 0.0000000 0.0000000), wk = 0.0027778 k( 275) = ( 0.1097561 0.0000000 0.0000000), wk = 0.0027778 k( 276) = ( 0.1219512 0.0000000 0.0000000), wk = 0.0027778 k( 277) = ( 0.1341463 0.0000000 0.0000000), wk = 0.0027778 k( 278) = ( 0.1463415 0.0000000 0.0000000), wk = 0.0027778 k( 279) = ( 0.1585366 0.0000000 0.0000000), wk = 0.0027778 k( 280) = ( 0.1707317 0.0000000 0.0000000), wk = 0.0027778 k( 281) = ( 0.1829268 0.0000000 0.0000000), wk = 0.0027778 k( 282) = ( 0.1951219 0.0000000 0.0000000), wk = 0.0027778 k( 283) = ( 0.2073171 0.0000000 -0.0000000), wk = 0.0027778 k( 284) = ( 0.2195122 0.0000000 0.0000000), wk = 0.0027778 k( 285) = ( 0.2317073 0.0000000 0.0000000), wk = 0.0027778 k( 286) = ( 0.2439024 0.0000000 0.0000000), wk = 0.0027778 k( 287) = ( 0.2560976 -0.0000000 0.0000000), wk = 0.0027778 k( 288) = ( 0.2682927 0.0000000 0.0000000), wk = 0.0027778 k( 289) = ( 0.2804878 0.0000000 0.0000000), wk = 0.0027778 k( 290) = ( 0.2926829 0.0000000 0.0000000), wk = 0.0027778 k( 291) = ( 0.3048781 0.0000000 0.0000000), wk = 0.0027778 k( 292) = ( 0.3170732 0.0000000 0.0000000), wk = 0.0027778 k( 293) = ( 0.3292683 0.0000000 0.0000000), wk = 0.0027778 k( 294) = ( 0.3414634 0.0000000 0.0000000), wk = 0.0027778 k( 295) = ( 0.3536585 0.0000000 -0.0000000), wk = 0.0027778 k( 296) = ( 0.3658537 0.0000000 0.0000000), wk = 0.0027778 k( 297) = ( 0.3780488 0.0000000 0.0000000), wk = 0.0027778 k( 298) = ( 0.3902439 0.0000000 0.0000000), wk = 0.0027778 k( 299) = ( 0.4024390 0.0000000 0.0000000), wk = 0.0027778 k( 300) = ( 0.4146341 0.0000000 0.0000000), wk = 0.0027778 k( 301) = ( 0.4268293 0.0000000 0.0000000), wk = 0.0027778 k( 302) = ( 0.4390244 -0.0000000 0.0000000), wk = 0.0027778 k( 303) = ( 0.4512195 0.0000000 -0.0000000), wk = 0.0027778 k( 304) = ( 0.4634146 0.0000000 0.0000000), wk = 0.0027778 k( 305) = ( 0.4756098 0.0000000 0.0000000), wk = 0.0027778 k( 306) = ( 0.4878049 0.0000000 0.0000000), wk = 0.0027778 k( 307) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027778 k( 308) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027778 k( 309) = ( 0.4903846 0.0000000 0.4903846), wk = 0.0027778 k( 310) = ( 0.4807692 0.0000000 0.4807692), wk = 0.0027778 k( 311) = ( 0.4711538 0.0000000 0.4711538), wk = 0.0027778 k( 312) = ( 0.4615385 0.0000000 0.4615385), wk = 0.0027778 k( 313) = ( 0.4519231 0.0000000 0.4519231), wk = 0.0027778 k( 314) = ( 0.4423077 0.0000000 0.4423077), wk = 0.0027778 k( 315) = ( 0.4326923 0.0000000 0.4326923), wk = 0.0027778 k( 316) = ( 0.4230769 0.0000000 0.4230769), wk = 0.0027778 k( 317) = ( 0.4134615 0.0000000 0.4134615), wk = 0.0027778 k( 318) = ( 0.4038462 0.0000000 0.4038462), wk = 0.0027778 k( 319) = ( 0.3942308 -0.0000000 0.3942308), wk = 0.0027778 k( 320) = ( 0.3846154 0.0000000 0.3846154), wk = 0.0027778 k( 321) = ( 0.3750000 0.0000000 0.3750000), wk = 0.0027778 k( 322) = ( 0.3653846 0.0000000 0.3653846), wk = 0.0027778 k( 323) = ( 0.3557692 0.0000000 0.3557692), wk = 0.0027778 k( 324) = ( 0.3461538 0.0000000 0.3461538), wk = 0.0027778 k( 325) = ( 0.3365385 0.0000000 0.3365385), wk = 0.0027778 k( 326) = ( 0.3269231 0.0000000 0.3269231), wk = 0.0027778 k( 327) = ( 0.3173077 0.0000000 0.3173077), wk = 0.0027778 k( 328) = ( 0.3076923 -0.0000000 0.3076923), wk = 0.0027778 k( 329) = ( 0.2980769 0.0000000 0.2980769), wk = 0.0027778 k( 330) = ( 0.2884615 0.0000000 0.2884615), wk = 0.0027778 k( 331) = ( 0.2788462 0.0000000 0.2788462), wk = 0.0027778 k( 332) = ( 0.2692308 -0.0000000 0.2692308), wk = 0.0027778 k( 333) = ( 0.2596154 0.0000000 0.2596154), wk = 0.0027778 k( 334) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0027778 k( 335) = ( 0.2403846 0.0000000 0.2403846), wk = 0.0027778 k( 336) = ( 0.2307692 0.0000000 0.2307692), wk = 0.0027778 k( 337) = ( 0.2211539 0.0000000 0.2211539), wk = 0.0027778 k( 338) = ( 0.2115385 0.0000000 0.2115385), wk = 0.0027778 k( 339) = ( 0.2019231 0.0000000 0.2019231), wk = 0.0027778 k( 340) = ( 0.1923077 0.0000000 0.1923077), wk = 0.0027778 k( 341) = ( 0.1826923 0.0000000 0.1826923), wk = 0.0027778 k( 342) = ( 0.1730769 0.0000000 0.1730769), wk = 0.0027778 k( 343) = ( 0.1634615 0.0000000 0.1634615), wk = 0.0027778 k( 344) = ( 0.1538461 -0.0000000 0.1538462), wk = 0.0027778 k( 345) = ( 0.1442308 0.0000000 0.1442308), wk = 0.0027778 k( 346) = ( 0.1346154 0.0000000 0.1346154), wk = 0.0027778 k( 347) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0027778 k( 348) = ( 0.1153846 0.0000000 0.1153846), wk = 0.0027778 k( 349) = ( 0.1057692 0.0000000 0.1057692), wk = 0.0027778 k( 350) = ( 0.0961538 0.0000000 0.0961539), wk = 0.0027778 k( 351) = ( 0.0865385 0.0000000 0.0865385), wk = 0.0027778 k( 352) = ( 0.0769231 0.0000000 0.0769231), wk = 0.0027778 k( 353) = ( 0.0673077 0.0000000 0.0673077), wk = 0.0027778 k( 354) = ( 0.0576923 0.0000000 0.0576923), wk = 0.0027778 k( 355) = ( 0.0480769 0.0000000 0.0480769), wk = 0.0027778 k( 356) = ( 0.0384615 0.0000000 0.0384615), wk = 0.0027778 k( 357) = ( 0.0288462 0.0000000 0.0288462), wk = 0.0027778 k( 358) = ( 0.0192308 0.0000000 0.0192308), wk = 0.0027778 k( 359) = ( 0.0096154 0.0000000 0.0096154), wk = 0.0027778 k( 360) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 Dense grid: 72867 G-vectors FFT dimensions: ( 60, 60, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.30 Mb ( 404, 48) NL pseudopotentials 0.39 Mb ( 202, 126) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1518) G-vector shells 0.01 Mb ( 1400) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.18 Mb ( 404, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.18 Mb ( 126, 2, 48) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./Li4CO4.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 40.3 secs Computing kpt #: 2 total cpu time spent up to now is 43.4 secs Computing kpt #: 3 total cpu time spent up to now is 46.4 secs Computing kpt #: 4 total cpu time spent up to now is 49.4 secs Computing kpt #: 5 total cpu time spent up to now is 52.4 secs Computing kpt #: 6 total cpu time spent up to now is 55.4 secs Computing kpt #: 7 total cpu time spent up to now is 58.6 secs Computing kpt #: 8 total cpu time spent up to now is 61.6 secs Computing kpt #: 9 total cpu time spent up to now is 64.9 secs Computing kpt #: 10 total cpu time spent up to now is 68.1 secs Computing kpt #: 11 total cpu time spent up to now is 71.5 secs Computing kpt #: 12 total cpu time spent up to now is 75.1 secs Computing kpt #: 13 total cpu time spent up to now is 78.6 secs Computing kpt #: 14 total cpu time spent up to now is 82.6 secs Computing kpt #: 15 total cpu time spent up to now is 86.5 secs Computing kpt #: 16 total cpu time spent up to now is 90.5 secs Computing kpt #: 17 total cpu time spent up to now is 94.5 secs Computing kpt #: 18 total cpu time spent up to now is 99.0 secs Computing kpt #: 19 total cpu time spent up to now is 103.0 secs Computing kpt #: 20 total cpu time spent up to now is 106.5 secs Computing kpt #: 21 total cpu time spent up to now is 110.2 secs Computing kpt #: 22 total cpu time spent up to now is 113.4 secs Computing kpt #: 23 total cpu time spent up to now is 116.5 secs Computing kpt #: 24 total cpu time spent up to now is 119.9 secs Computing kpt #: 25 total cpu time spent up to now is 123.1 secs Computing kpt #: 26 total cpu time spent up to now is 126.1 secs Computing kpt #: 27 total cpu time spent up to now is 129.1 secs Computing kpt #: 28 total cpu time spent up to now is 132.2 secs Computing kpt #: 29 total cpu time spent up to now is 135.4 secs Computing kpt #: 30 total cpu time spent up to now is 138.3 secs Computing kpt #: 31 total cpu time spent up to now is 141.3 secs Computing kpt #: 32 total cpu time spent up to now is 144.1 secs Computing kpt #: 33 total cpu time spent up to now is 147.0 secs Computing kpt #: 34 total cpu time spent up to now is 149.9 secs Computing kpt #: 35 total cpu time spent up to now is 152.8 secs Computing kpt #: 36 total cpu time spent up to now is 155.9 secs Computing kpt #: 37 total cpu time spent up to now is 158.7 secs Computing kpt #: 38 total cpu time spent up to now is 161.7 secs Computing kpt #: 39 total cpu time spent up to now is 164.5 secs Computing kpt #: 40 total cpu time spent up to now is 167.3 secs Computing kpt #: 41 total cpu time spent up to now is 170.2 secs Computing kpt #: 42 total cpu time spent up to now is 173.3 secs Computing kpt #: 43 total cpu time spent up to now is 176.2 secs Computing kpt #: 44 total cpu time spent up to now is 179.0 secs Computing kpt #: 45 total cpu time spent up to now is 181.9 secs Computing kpt #: 46 total cpu time spent up to now is 184.8 secs Computing kpt #: 47 total cpu time spent up to now is 187.8 secs Computing kpt #: 48 total cpu time spent up to now is 190.7 secs Computing kpt #: 49 total cpu time spent up to now is 193.8 secs Computing kpt #: 50 total cpu time spent up to now is 196.8 secs Computing kpt #: 51 total cpu time spent up to now is 199.8 secs Computing kpt #: 52 total cpu time spent up to now is 202.7 secs Computing kpt #: 53 total cpu time spent up to now is 205.7 secs Computing kpt #: 54 total cpu time spent up to now is 208.8 secs Computing kpt #: 55 total cpu time spent up to now is 211.9 secs Computing kpt #: 56 total cpu time spent up to now is 215.1 secs Computing kpt #: 57 total cpu time spent up to now is 218.4 secs Computing kpt #: 58 total cpu time spent up to now is 221.7 secs Computing kpt #: 59 total cpu time spent up to now is 224.9 secs Computing kpt #: 60 total cpu time spent up to now is 228.5 secs Computing kpt #: 61 total cpu time spent up to now is 231.6 secs Computing kpt #: 62 total cpu time spent up to now is 234.9 secs Computing kpt #: 63 total cpu time spent up to now is 238.1 secs Computing kpt #: 64 total cpu time spent up to now is 241.5 secs Computing kpt #: 65 total cpu time spent up to now is 244.7 secs Computing kpt #: 66 total cpu time spent up to now is 247.9 secs Computing kpt #: 67 total cpu time spent up to now is 251.2 secs Computing kpt #: 68 total cpu time spent up to now is 254.5 secs Computing kpt #: 69 total cpu time spent up to now is 258.3 secs Computing kpt #: 70 total cpu time spent up to now is 261.6 secs Computing kpt #: 71 total cpu time spent up to now is 265.1 secs Computing kpt #: 72 total cpu time spent up to now is 268.6 secs Computing kpt #: 73 total cpu time spent up to now is 272.0 secs Computing kpt #: 74 total cpu time spent up to now is 275.6 secs Computing kpt #: 75 total cpu time spent up to now is 278.9 secs Computing kpt #: 76 total cpu time spent up to now is 282.3 secs Computing kpt #: 77 total cpu time spent up to now is 285.5 secs Computing kpt #: 78 total cpu time spent up to now is 288.8 secs Computing kpt #: 79 total cpu time spent up to now is 292.1 secs Computing kpt #: 80 total cpu time spent up to now is 295.4 secs Computing kpt #: 81 total cpu time spent up to now is 298.8 secs Computing kpt #: 82 total cpu time spent up to now is 302.4 secs Computing kpt #: 83 total cpu time spent up to now is 305.6 secs Computing kpt #: 84 total cpu time spent up to now is 309.1 secs Computing kpt #: 85 total cpu time spent up to now is 312.2 secs Computing kpt #: 86 total cpu time spent up to now is 315.2 secs Computing kpt #: 87 total cpu time spent up to now is 318.4 secs Computing kpt #: 88 total cpu time spent up to now is 321.7 secs Computing kpt #: 89 total cpu time spent up to now is 324.9 secs Computing kpt #: 90 total cpu time spent up to now is 328.0 secs Computing kpt #: 91 total cpu time spent up to now is 331.2 secs Computing kpt #: 92 total cpu time spent up to now is 334.7 secs Computing kpt #: 93 total cpu time spent up to now is 338.0 secs Computing kpt #: 94 total cpu time spent up to now is 341.2 secs Computing kpt #: 95 total cpu time spent up to now is 344.5 secs Computing kpt #: 96 total cpu time spent up to now is 348.1 secs Computing kpt #: 97 total cpu time spent up to now is 351.6 secs Computing kpt #: 98 total cpu time spent up to now is 354.8 secs Computing kpt #: 99 total cpu time spent up to now is 358.3 secs Computing kpt #: 100 total cpu time spent up to now is 361.7 secs Computing kpt #: 101 total cpu time spent up to now is 364.9 secs Computing kpt #: 102 total cpu time spent up to now is 368.3 secs Computing kpt #: 103 total cpu time spent up to now is 371.7 secs Computing kpt #: 104 total cpu time spent up to now is 375.2 secs Computing kpt #: 105 total cpu time spent up to now is 378.6 secs Computing kpt #: 106 total cpu time spent up to now is 382.0 secs Computing kpt #: 107 total cpu time spent up to now is 385.5 secs Computing kpt #: 108 total cpu time spent up to now is 389.0 secs Computing kpt #: 109 total cpu time spent up to now is 392.5 secs Computing kpt #: 110 total cpu time spent up to now is 397.3 secs Computing kpt #: 111 total cpu time spent up to now is 403.1 secs Computing kpt #: 112 total cpu time spent up to now is 406.8 secs Computing kpt #: 113 total cpu time spent up to now is 411.0 secs Computing kpt #: 114 total cpu time spent up to now is 415.1 secs Computing kpt #: 115 total cpu time spent up to now is 418.9 secs Computing kpt #: 116 total cpu time spent up to now is 422.9 secs Computing kpt #: 117 total cpu time spent up to now is 426.5 secs Computing kpt #: 118 total cpu time spent up to now is 431.2 secs Computing kpt #: 119 total cpu time spent up to now is 435.1 secs Computing kpt #: 120 total cpu time spent up to now is 439.1 secs Computing kpt #: 121 total cpu time spent up to now is 442.5 secs Computing kpt #: 122 total cpu time spent up to now is 446.5 secs Computing kpt #: 123 total cpu time spent up to now is 450.7 secs Computing kpt #: 124 total cpu time spent up to now is 456.1 secs Computing kpt #: 125 total cpu time spent up to now is 460.6 secs Computing kpt #: 126 total cpu time spent up to now is 464.1 secs Computing kpt #: 127 total cpu time spent up to now is 468.4 secs Computing kpt #: 128 total cpu time spent up to now is 472.0 secs Computing kpt #: 129 total cpu time spent up to now is 475.3 secs Computing kpt #: 130 total cpu time spent up to now is 478.8 secs Computing kpt #: 131 total cpu time spent up to now is 482.2 secs Computing kpt #: 132 total cpu time spent up to now is 485.6 secs Computing kpt #: 133 total cpu time spent up to now is 489.0 secs Computing kpt #: 134 total cpu time spent up to now is 492.3 secs Computing kpt #: 135 total cpu time spent up to now is 495.6 secs Computing kpt #: 136 total cpu time spent up to now is 498.9 secs Computing kpt #: 137 total cpu time spent up to now is 502.3 secs Computing kpt #: 138 total cpu time spent up to now is 505.5 secs Computing kpt #: 139 total cpu time spent up to now is 509.0 secs Computing kpt #: 140 total cpu time spent up to now is 512.3 secs Computing kpt #: 141 total cpu time spent up to now is 515.6 secs Computing kpt #: 142 total cpu time spent up to now is 518.9 secs Computing kpt #: 143 total cpu time spent up to now is 522.3 secs Computing kpt #: 144 total cpu time spent up to now is 525.6 secs Computing kpt #: 145 total cpu time spent up to now is 529.1 secs Computing kpt #: 146 total cpu time spent up to now is 532.4 secs Computing kpt #: 147 total cpu time spent up to now is 535.6 secs Computing kpt #: 148 total cpu time spent up to now is 538.9 secs Computing kpt #: 149 total cpu time spent up to now is 542.0 secs Computing kpt #: 150 total cpu time spent up to now is 545.2 secs Computing kpt #: 151 total cpu time spent up to now is 548.5 secs Computing kpt #: 152 total cpu time spent up to now is 551.6 secs Computing kpt #: 153 total cpu time spent up to now is 554.9 secs Computing kpt #: 154 total cpu time spent up to now is 558.1 secs Computing kpt #: 155 total cpu time spent up to now is 561.3 secs Computing kpt #: 156 total cpu time spent up to now is 564.4 secs Computing kpt #: 157 total cpu time spent up to now is 567.9 secs Computing kpt #: 158 total cpu time spent up to now is 571.1 secs Computing kpt #: 159 total cpu time spent up to now is 574.2 secs Computing kpt #: 160 total cpu time spent up to now is 577.3 secs Computing kpt #: 161 total cpu time spent up to now is 580.5 secs Computing kpt #: 162 total cpu time spent up to now is 583.7 secs Computing kpt #: 163 total cpu time spent up to now is 586.9 secs Computing kpt #: 164 total cpu time spent up to now is 590.0 secs Computing kpt #: 165 total cpu time spent up to now is 593.2 secs Computing kpt #: 166 total cpu time spent up to now is 596.4 secs Computing kpt #: 167 total cpu time spent up to now is 599.7 secs Computing kpt #: 168 total cpu time spent up to now is 603.0 secs Computing kpt #: 169 total cpu time spent up to now is 606.3 secs Computing kpt #: 170 total cpu time spent up to now is 609.8 secs Computing kpt #: 171 total cpu time spent up to now is 613.2 secs Computing kpt #: 172 total cpu time spent up to now is 616.8 secs Computing kpt #: 173 total cpu time spent up to now is 620.4 secs Computing kpt #: 174 total cpu time spent up to now is 624.4 secs Computing kpt #: 175 total cpu time spent up to now is 628.6 secs Computing kpt #: 176 total cpu time spent up to now is 632.6 secs Computing kpt #: 177 total cpu time spent up to now is 636.5 secs Computing kpt #: 178 total cpu time spent up to now is 640.4 secs Computing kpt #: 179 total cpu time spent up to now is 644.4 secs Computing kpt #: 180 total cpu time spent up to now is 648.6 secs Computing kpt #: 181 total cpu time spent up to now is 652.7 secs Computing kpt #: 182 total cpu time spent up to now is 656.9 secs Computing kpt #: 183 total cpu time spent up to now is 661.1 secs Computing kpt #: 184 total cpu time spent up to now is 665.2 secs Computing kpt #: 185 total cpu time spent up to now is 669.3 secs Computing kpt #: 186 total cpu time spent up to now is 673.2 secs Computing kpt #: 187 total cpu time spent up to now is 677.3 secs Computing kpt #: 188 total cpu time spent up to now is 681.1 secs Computing kpt #: 189 total cpu time spent up to now is 684.9 secs Computing kpt #: 190 total cpu time spent up to now is 688.5 secs Computing kpt #: 191 total cpu time spent up to now is 691.9 secs Computing kpt #: 192 total cpu time spent up to now is 695.6 secs Computing kpt #: 193 total cpu time spent up to now is 699.2 secs Computing kpt #: 194 total cpu time spent up to now is 702.0 secs Computing kpt #: 195 total cpu time spent up to now is 704.9 secs Computing kpt #: 196 total cpu time spent up to now is 707.8 secs Computing kpt #: 197 total cpu time spent up to now is 710.7 secs Computing kpt #: 198 total cpu time spent up to now is 713.6 secs Computing kpt #: 199 total cpu time spent up to now is 716.5 secs Computing kpt #: 200 total cpu time spent up to now is 719.4 secs Computing kpt #: 201 total cpu time spent up to now is 722.3 secs Computing kpt #: 202 total cpu time spent up to now is 725.5 secs Computing kpt #: 203 total cpu time spent up to now is 728.8 secs Computing kpt #: 204 total cpu time spent up to now is 732.1 secs Computing kpt #: 205 total cpu time spent up to now is 735.4 secs Computing kpt #: 206 total cpu time spent up to now is 738.8 secs Computing kpt #: 207 total cpu time spent up to now is 742.3 secs Computing kpt #: 208 total cpu time spent up to now is 745.8 secs Computing kpt #: 209 total cpu time spent up to now is 750.0 secs Computing kpt #: 210 total cpu time spent up to now is 754.5 secs Computing kpt #: 211 total cpu time spent up to now is 759.4 secs Computing kpt #: 212 total cpu time spent up to now is 764.8 secs Computing kpt #: 213 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 770.3 secs Computing kpt #: 214 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 775.9 secs Computing kpt #: 215 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 782.0 secs Computing kpt #: 216 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 787.7 secs Computing kpt #: 217 total cpu time spent up to now is 792.4 secs Computing kpt #: 218 total cpu time spent up to now is 797.2 secs Computing kpt #: 219 total cpu time spent up to now is 801.9 secs Computing kpt #: 220 total cpu time spent up to now is 806.1 secs Computing kpt #: 221 total cpu time spent up to now is 810.1 secs Computing kpt #: 222 total cpu time spent up to now is 813.7 secs Computing kpt #: 223 total cpu time spent up to now is 817.6 secs Computing kpt #: 224 total cpu time spent up to now is 821.4 secs Computing kpt #: 225 total cpu time spent up to now is 824.9 secs Computing kpt #: 226 total cpu time spent up to now is 828.6 secs Computing kpt #: 227 total cpu time spent up to now is 832.1 secs Computing kpt #: 228 total cpu time spent up to now is 835.4 secs Computing kpt #: 229 total cpu time spent up to now is 838.6 secs Computing kpt #: 230 total cpu time spent up to now is 841.9 secs Computing kpt #: 231 total cpu time spent up to now is 845.2 secs Computing kpt #: 232 total cpu time spent up to now is 848.4 secs Computing kpt #: 233 total cpu time spent up to now is 851.7 secs Computing kpt #: 234 total cpu time spent up to now is 855.0 secs Computing kpt #: 235 total cpu time spent up to now is 858.3 secs Computing kpt #: 236 total cpu time spent up to now is 861.5 secs Computing kpt #: 237 total cpu time spent up to now is 864.9 secs Computing kpt #: 238 total cpu time spent up to now is 868.1 secs Computing kpt #: 239 total cpu time spent up to now is 871.1 secs Computing kpt #: 240 total cpu time spent up to now is 874.3 secs Computing kpt #: 241 total cpu time spent up to now is 877.6 secs Computing kpt #: 242 total cpu time spent up to now is 880.9 secs Computing kpt #: 243 total cpu time spent up to now is 884.2 secs Computing kpt #: 244 total cpu time spent up to now is 887.2 secs Computing kpt #: 245 total cpu time spent up to now is 890.2 secs Computing kpt #: 246 total cpu time spent up to now is 893.2 secs Computing kpt #: 247 total cpu time spent up to now is 896.1 secs Computing kpt #: 248 total cpu time spent up to now is 899.1 secs Computing kpt #: 249 total cpu time spent up to now is 901.9 secs Computing kpt #: 250 total cpu time spent up to now is 904.8 secs Computing kpt #: 251 total cpu time spent up to now is 907.7 secs Computing kpt #: 252 total cpu time spent up to now is 910.6 secs Computing kpt #: 253 total cpu time spent up to now is 913.4 secs Computing kpt #: 254 total cpu time spent up to now is 916.3 secs Computing kpt #: 255 total cpu time spent up to now is 919.2 secs Computing kpt #: 256 total cpu time spent up to now is 922.1 secs Computing kpt #: 257 total cpu time spent up to now is 925.0 secs Computing kpt #: 258 total cpu time spent up to now is 927.9 secs Computing kpt #: 259 total cpu time spent up to now is 930.8 secs Computing kpt #: 260 total cpu time spent up to now is 933.7 secs Computing kpt #: 261 total cpu time spent up to now is 936.6 secs Computing kpt #: 262 total cpu time spent up to now is 939.5 secs Computing kpt #: 263 total cpu time spent up to now is 942.4 secs Computing kpt #: 264 total cpu time spent up to now is 945.3 secs Computing kpt #: 265 total cpu time spent up to now is 948.2 secs Computing kpt #: 266 total cpu time spent up to now is 951.0 secs Computing kpt #: 267 total cpu time spent up to now is 953.9 secs Computing kpt #: 268 total cpu time spent up to now is 956.8 secs Computing kpt #: 269 total cpu time spent up to now is 959.7 secs Computing kpt #: 270 total cpu time spent up to now is 962.5 secs Computing kpt #: 271 total cpu time spent up to now is 965.4 secs Computing kpt #: 272 total cpu time spent up to now is 968.3 secs Computing kpt #: 273 total cpu time spent up to now is 971.3 secs Computing kpt #: 274 total cpu time spent up to now is 974.3 secs Computing kpt #: 275 total cpu time spent up to now is 977.2 secs Computing kpt #: 276 total cpu time spent up to now is 980.1 secs Computing kpt #: 277 total cpu time spent up to now is 983.0 secs Computing kpt #: 278 total cpu time spent up to now is 986.0 secs Computing kpt #: 279 total cpu time spent up to now is 989.0 secs Computing kpt #: 280 total cpu time spent up to now is 991.9 secs Computing kpt #: 281 total cpu time spent up to now is 995.1 secs Computing kpt #: 282 total cpu time spent up to now is 1000.0 secs Computing kpt #: 283 total cpu time spent up to now is 1003.8 secs Computing kpt #: 284 total cpu time spent up to now is 1006.8 secs Computing kpt #: 285 total cpu time spent up to now is 1009.8 secs Computing kpt #: 286 total cpu time spent up to now is 1012.9 secs Computing kpt #: 287 total cpu time spent up to now is 1016.2 secs Computing kpt #: 288 total cpu time spent up to now is 1019.3 secs Computing kpt #: 289 total cpu time spent up to now is 1022.4 secs Computing kpt #: 290 total cpu time spent up to now is 1025.7 secs Computing kpt #: 291 total cpu time spent up to now is 1029.0 secs Computing kpt #: 292 total cpu time spent up to now is 1032.3 secs Computing kpt #: 293 total cpu time spent up to now is 1035.9 secs Computing kpt #: 294 total cpu time spent up to now is 1038.9 secs Computing kpt #: 295 total cpu time spent up to now is 1042.2 secs Computing kpt #: 296 total cpu time spent up to now is 1045.5 secs Computing kpt #: 297 total cpu time spent up to now is 1048.8 secs Computing kpt #: 298 total cpu time spent up to now is 1052.1 secs Computing kpt #: 299 total cpu time spent up to now is 1055.4 secs Computing kpt #: 300 total cpu time spent up to now is 1058.7 secs Computing kpt #: 301 total cpu time spent up to now is 1062.1 secs Computing kpt #: 302 total cpu time spent up to now is 1065.4 secs Computing kpt #: 303 total cpu time spent up to now is 1068.7 secs Computing kpt #: 304 total cpu time spent up to now is 1071.9 secs Computing kpt #: 305 total cpu time spent up to now is 1075.2 secs Computing kpt #: 306 total cpu time spent up to now is 1078.6 secs Computing kpt #: 307 total cpu time spent up to now is 1081.8 secs Computing kpt #: 308 total cpu time spent up to now is 1085.1 secs Computing kpt #: 309 total cpu time spent up to now is 1088.4 secs Computing kpt #: 310 total cpu time spent up to now is 1091.7 secs Computing kpt #: 311 total cpu time spent up to now is 1095.1 secs Computing kpt #: 312 total cpu time spent up to now is 1098.4 secs Computing kpt #: 313 total cpu time spent up to now is 1101.7 secs Computing kpt #: 314 total cpu time spent up to now is 1105.1 secs Computing kpt #: 315 total cpu time spent up to now is 1108.7 secs Computing kpt #: 316 total cpu time spent up to now is 1112.1 secs Computing kpt #: 317 total cpu time spent up to now is 1116.0 secs Computing kpt #: 318 total cpu time spent up to now is 1119.7 secs Computing kpt #: 319 total cpu time spent up to now is 1123.7 secs Computing kpt #: 320 total cpu time spent up to now is 1127.7 secs Computing kpt #: 321 total cpu time spent up to now is 1132.4 secs Computing kpt #: 322 total cpu time spent up to now is 1137.1 secs Computing kpt #: 323 total cpu time spent up to now is 1142.0 secs Computing kpt #: 324 total cpu time spent up to now is 1146.8 secs Computing kpt #: 325 total cpu time spent up to now is 1151.5 secs Computing kpt #: 326 total cpu time spent up to now is 1156.0 secs Computing kpt #: 327 total cpu time spent up to now is 1159.6 secs Computing kpt #: 328 total cpu time spent up to now is 1163.5 secs Computing kpt #: 329 total cpu time spent up to now is 1167.1 secs Computing kpt #: 330 total cpu time spent up to now is 1170.7 secs Computing kpt #: 331 total cpu time spent up to now is 1174.1 secs Computing kpt #: 332 total cpu time spent up to now is 1177.5 secs Computing kpt #: 333 total cpu time spent up to now is 1180.9 secs Computing kpt #: 334 total cpu time spent up to now is 1184.2 secs Computing kpt #: 335 total cpu time spent up to now is 1187.4 secs Computing kpt #: 336 total cpu time spent up to now is 1190.7 secs Computing kpt #: 337 total cpu time spent up to now is 1193.9 secs Computing kpt #: 338 total cpu time spent up to now is 1197.0 secs Computing kpt #: 339 total cpu time spent up to now is 1200.0 secs Computing kpt #: 340 total cpu time spent up to now is 1203.1 secs Computing kpt #: 341 total cpu time spent up to now is 1206.1 secs Computing kpt #: 342 total cpu time spent up to now is 1209.0 secs Computing kpt #: 343 total cpu time spent up to now is 1212.0 secs Computing kpt #: 344 total cpu time spent up to now is 1215.0 secs Computing kpt #: 345 total cpu time spent up to now is 1217.9 secs Computing kpt #: 346 total cpu time spent up to now is 1220.8 secs Computing kpt #: 347 total cpu time spent up to now is 1223.7 secs Computing kpt #: 348 total cpu time spent up to now is 1226.5 secs Computing kpt #: 349 total cpu time spent up to now is 1229.5 secs Computing kpt #: 350 total cpu time spent up to now is 1232.3 secs Computing kpt #: 351 total cpu time spent up to now is 1235.3 secs Computing kpt #: 352 total cpu time spent up to now is 1238.1 secs Computing kpt #: 353 total cpu time spent up to now is 1241.1 secs Computing kpt #: 354 total cpu time spent up to now is 1243.9 secs Computing kpt #: 355 total cpu time spent up to now is 1246.9 secs Computing kpt #: 356 total cpu time spent up to now is 1249.7 secs Computing kpt #: 357 total cpu time spent up to now is 1252.7 secs Computing kpt #: 358 total cpu time spent up to now is 1255.6 secs Computing kpt #: 359 total cpu time spent up to now is 1258.6 secs Computing kpt #: 360 total cpu time spent up to now is 1261.4 secs ethr = 2.50E-11, avg # of iterations = 47.5 total cpu time spent up to now is 1261.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 9151 PWs) bands (ev): -40.0541 -40.0541 -40.0048 -40.0048 -39.3357 -39.3357 -39.2940 -39.2940 -17.5229 -17.5229 -13.8440 -13.8440 -13.6563 -13.6563 -13.4511 -13.4511 -4.7312 -4.7312 -2.6173 -2.6173 -2.1711 -2.1711 -1.8070 -1.8070 0.6186 0.6186 0.9018 0.9018 2.0807 2.0807 2.3982 2.3982 2.5040 2.5040 3.3451 3.3451 3.3757 3.3757 3.5332 3.5332 8.4183 8.4183 11.0191 11.0191 11.6352 11.6352 13.2161 13.2161 k = 0.0122 0.0067-0.0036 ( 9147 PWs) bands (ev): -40.0541 -40.0541 -40.0048 -40.0048 -39.3357 -39.3357 -39.2940 -39.2940 -17.5228 -17.5228 -13.8443 -13.8443 -13.6566 -13.6566 -13.4509 -13.4509 -4.7305 -4.7304 -2.6166 -2.6164 -2.1712 -2.1709 -1.8070 -1.8068 0.6185 0.6186 0.9002 0.9004 2.0809 2.0820 2.3963 2.3988 2.5033 2.5056 3.3413 3.3448 3.3746 3.3784 3.5327 3.5333 8.4202 8.4202 11.0183 11.0184 11.6337 11.6340 13.2181 13.2185 k = 0.0244 0.0134-0.0073 ( 9150 PWs) bands (ev): -40.0541 -40.0541 -40.0049 -40.0049 -39.3357 -39.3357 -39.2941 -39.2941 -17.5224 -17.5224 -13.8452 -13.8452 -13.6577 -13.6577 -13.4502 -13.4502 -4.7281 -4.7281 -2.6143 -2.6141 -2.1713 -2.1707 -1.8069 -1.8066 0.6183 0.6186 0.8957 0.8962 2.0827 2.0848 2.3933 2.3982 2.5036 2.5081 3.3346 3.3402 3.3756 3.3818 3.5319 3.5331 8.4259 8.4259 11.0160 11.0163 11.6295 11.6300 13.2246 13.2254 k = 0.0366 0.0202-0.0109 ( 9148 PWs) bands (ev): -40.0541 -40.0541 -40.0049 -40.0049 -39.3356 -39.3356 -39.2942 -39.2942 -17.5218 -17.5218 -13.8467 -13.8467 -13.6594 -13.6594 -13.4491 -13.4491 -4.7242 -4.7242 -2.6105 -2.6102 -2.1713 -2.1705 -1.8067 -1.8062 0.6180 0.6185 0.8884 0.8891 2.0857 2.0889 2.3892 2.3964 2.5050 2.5115 3.3256 3.3322 3.3776 3.3851 3.5308 3.5326 8.4352 8.4353 11.0122 11.0127 11.6228 11.6236 13.2352 13.2365 k = 0.0488 0.0269-0.0145 ( 9143 PWs) bands (ev): -40.0540 -40.0540 -40.0049 -40.0049 -39.3355 -39.3355 -39.2943 -39.2943 -17.5209 -17.5209 -13.8488 -13.8488 -13.6618 -13.6617 -13.4476 -13.4475 -4.7188 -4.7187 -2.6052 -2.6048 -2.1712 -2.1702 -1.8063 -1.8057 0.6176 0.6183 0.8784 0.8794 2.0898 2.0939 2.3843 2.3934 2.5073 2.5155 3.3148 3.3217 3.3798 3.3880 3.5295 3.5318 8.4483 8.4484 11.0068 11.0074 11.6140 11.6150 13.2498 13.2515 k = 0.0610 0.0336-0.0182 ( 9143 PWs) bands (ev): -40.0539 -40.0539 -40.0050 -40.0050 -39.3354 -39.3354 -39.2944 -39.2944 -17.5198 -17.5198 -13.8515 -13.8515 -13.6648 -13.6647 -13.4457 -13.4456 -4.7119 -4.7118 -2.5985 -2.5979 -2.1711 -2.1697 -1.8059 -1.8051 0.6172 0.6180 0.8661 0.8673 2.0944 2.0996 2.3787 2.3894 2.5105 2.5202 3.3022 3.3092 3.3818 3.3904 3.5280 3.5309 8.4650 8.4651 10.9997 11.0005 11.6035 11.6047 13.2679 13.2699 k = 0.0732 0.0403-0.0218 ( 9147 PWs) bands (ev): -40.0538 -40.0538 -40.0051 -40.0051 -39.3352 -39.3352 -39.2945 -39.2945 -17.5185 -17.5185 -13.8548 -13.8548 -13.6683 -13.6681 -13.4435 -13.4434 -4.7035 -4.7034 -2.5903 -2.5896 -2.1708 -2.1692 -1.8053 -1.8044 0.6168 0.6177 0.8516 0.8529 2.0993 2.1053 2.3726 2.3846 2.5145 2.5255 3.2880 3.2951 3.3836 3.3923 3.5265 3.5299 8.4852 8.4853 10.9907 10.9917 11.5920 11.5933 13.2889 13.2912 k = 0.0854 0.0471-0.0254 ( 9152 PWs) bands (ev): -40.0537 -40.0537 -40.0052 -40.0052 -39.3350 -39.3350 -39.2947 -39.2947 -17.5169 -17.5169 -13.8587 -13.8587 -13.6722 -13.6721 -13.4409 -13.4408 -4.6937 -4.6936 -2.5807 -2.5799 -2.1705 -2.1686 -1.8047 -1.8037 0.6163 0.6174 0.8351 0.8367 2.1038 2.1106 2.3661 2.3791 2.5192 2.5313 3.2724 3.2793 3.3852 3.3938 3.5251 3.5289 8.5087 8.5089 10.9797 10.9809 11.5800 11.5814 13.3122 13.3147 k = 0.0976 0.0538-0.0291 ( 9144 PWs) bands (ev): -40.0536 -40.0536 -40.0053 -40.0053 -39.3348 -39.3348 -39.2949 -39.2949 -17.5151 -17.5151 -13.8632 -13.8632 -13.6765 -13.6764 -13.4382 -13.4380 -4.6826 -4.6825 -2.5698 -2.5688 -2.1700 -2.1678 -1.8040 -1.8028 0.6159 0.6172 0.8171 0.8188 2.1074 2.1148 2.3594 2.3732 2.5246 2.5376 3.2554 3.2623 3.3864 3.3951 3.5239 3.5281 8.5356 8.5358 10.9667 10.9681 11.5680 11.5694 13.3370 13.3397 k = 0.1098 0.0605-0.0327 ( 9142 PWs) bands (ev): -40.0534 -40.0534 -40.0054 -40.0054 -39.3346 -39.3346 -39.2952 -39.2952 -17.5131 -17.5131 -13.8683 -13.8683 -13.6812 -13.6810 -13.4351 -13.4350 -4.6702 -4.6700 -2.5577 -2.5565 -2.1692 -2.1668 -1.8032 -1.8019 0.6156 0.6170 0.7977 0.7995 2.1095 2.1174 2.3526 2.3670 2.5305 2.5443 3.2373 3.2441 3.3876 3.3960 3.5229 3.5274 8.5656 8.5658 10.9514 10.9530 11.5567 11.5581 13.3625 13.3653 k = 0.1220 0.0672-0.0363 ( 9134 PWs) bands (ev): -40.0533 -40.0533 -40.0056 -40.0056 -39.3343 -39.3343 -39.2954 -39.2954 -17.5109 -17.5109 -13.8740 -13.8740 -13.6860 -13.6859 -13.4319 -13.4318 -4.6565 -4.6564 -2.5444 -2.5430 -2.1682 -2.1655 -1.8023 -1.8010 0.6153 0.6168 0.7773 0.7792 2.1097 2.1179 2.3460 2.3608 2.5366 2.5511 3.2184 3.2251 3.3886 3.3968 3.5224 3.5271 8.5986 8.5988 10.9340 10.9358 11.5464 11.5478 13.3875 13.3904 k = 0.1341 0.0739-0.0400 ( 9138 PWs) bands (ev): -40.0531 -40.0531 -40.0057 -40.0057 -39.3340 -39.3340 -39.2957 -39.2957 -17.5085 -17.5085 -13.8802 -13.8802 -13.6911 -13.6909 -13.4286 -13.4284 -4.6418 -4.6416 -2.5300 -2.5285 -2.1670 -2.1639 -1.8014 -1.8000 0.6152 0.6169 0.7560 0.7581 2.1075 2.1157 2.3396 2.3545 2.5429 2.5579 3.1989 3.2055 3.3896 3.3976 3.5223 3.5272 8.6343 8.6346 10.9144 10.9165 11.5376 11.5389 13.4108 13.4138 k = 0.1463 0.0807-0.0436 ( 9135 PWs) bands (ev): -40.0529 -40.0529 -40.0059 -40.0059 -39.3337 -39.3337 -39.2960 -39.2960 -17.5059 -17.5059 -13.8871 -13.8871 -13.6963 -13.6961 -13.4251 -13.4250 -4.6260 -4.6258 -2.5147 -2.5130 -2.1653 -2.1620 -1.8005 -1.7989 0.6152 0.6170 0.7342 0.7363 2.1026 2.1106 2.3336 2.3484 2.5490 2.5644 3.1793 3.1857 3.3907 3.3983 3.5227 3.5277 8.6727 8.6730 10.8929 10.8952 11.5305 11.5318 13.4307 13.4336 k = 0.1585 0.0874-0.0472 ( 9132 PWs) bands (ev): -40.0528 -40.0528 -40.0061 -40.0061 -39.3334 -39.3334 -39.2964 -39.2964 -17.5032 -17.5032 -13.8944 -13.8944 -13.7015 -13.7013 -13.4216 -13.4214 -4.6093 -4.6091 -2.4986 -2.4966 -2.1632 -2.1596 -1.7995 -1.7979 0.6155 0.6174 0.7120 0.7143 2.0947 2.1024 2.3278 2.3423 2.5546 2.5702 3.1599 3.1660 3.3918 3.3990 3.5239 3.5289 8.7134 8.7137 10.8696 10.8721 11.5254 11.5265 13.4451 13.4478 k = 0.1707 0.0941-0.0509 ( 9128 PWs) bands (ev): -40.0525 -40.0525 -40.0063 -40.0063 -39.3330 -39.3330 -39.2967 -39.2967 -17.5003 -17.5003 -13.9022 -13.9022 -13.7067 -13.7066 -13.4180 -13.4178 -4.5917 -4.5915 -2.4819 -2.4796 -2.1607 -2.1567 -1.7985 -1.7968 0.6160 0.6180 0.6897 0.6921 2.0838 2.0909 2.3222 2.3364 2.5594 2.5750 3.1410 3.1469 3.3931 3.3998 3.5258 3.5308 8.7563 8.7567 10.8448 10.8475 11.5221 11.5232 13.4517 13.4542 k = 0.1829 0.1008-0.0545 ( 9147 PWs) bands (ev): -40.0523 -40.0523 -40.0065 -40.0065 -39.3326 -39.3326 -39.2971 -39.2971 -17.4973 -17.4973 -13.9106 -13.9105 -13.7119 -13.7118 -13.4144 -13.4142 -4.5733 -4.5731 -2.4646 -2.4622 -2.1575 -2.1532 -1.7975 -1.7957 0.6166 0.6189 0.6676 0.6702 2.0696 2.0761 2.3168 2.3305 2.5629 2.5783 3.1232 3.1287 3.3946 3.4007 3.5286 3.5335 8.8012 8.8016 10.8188 10.8217 11.5208 11.5218 13.4484 13.4507 k = 0.1951 0.1075-0.0581 ( 9149 PWs) bands (ev): -40.0521 -40.0521 -40.0067 -40.0067 -39.3322 -39.3322 -39.2975 -39.2975 -17.4941 -17.4941 -13.9193 -13.9193 -13.7171 -13.7169 -13.4107 -13.4105 -4.5544 -4.5542 -2.4471 -2.4444 -2.1535 -2.1490 -1.7964 -1.7946 0.6170 0.6196 0.6459 0.6492 2.0525 2.0583 2.3113 2.3245 2.5649 2.5800 3.1066 3.1117 3.3962 3.4017 3.5325 3.5372 8.8477 8.8481 10.7922 10.7952 11.5213 11.5222 13.4344 13.4365 k = 0.2073 0.1143-0.0618 ( 9155 PWs) bands (ev): -40.0519 -40.0519 -40.0069 -40.0069 -39.3318 -39.3318 -39.2980 -39.2980 -17.4909 -17.4909 -13.9284 -13.9283 -13.7221 -13.7219 -13.4071 -13.4069 -4.5348 -4.5346 -2.4296 -2.4266 -2.1488 -2.1439 -1.7953 -1.7934 0.6138 0.6170 0.6284 0.6327 2.0322 2.0375 2.3057 2.3183 2.5651 2.5796 3.0916 3.0961 3.3979 3.4028 3.5375 3.5420 8.8956 8.8961 10.7652 10.7684 11.5236 11.5244 13.4101 13.4120 k = 0.2195 0.1210-0.0654 ( 9155 PWs) bands (ev): -40.0516 -40.0516 -40.0071 -40.0071 -39.3313 -39.3313 -39.2984 -39.2984 -17.4876 -17.4876 -13.9378 -13.9377 -13.7270 -13.7268 -13.4035 -13.4033 -4.5149 -4.5147 -2.4122 -2.4089 -2.1430 -2.1379 -1.7941 -1.7922 0.5987 0.6001 0.6260 0.6289 2.0092 2.0138 2.2998 2.3118 2.5633 2.5771 3.0784 3.0821 3.3996 3.4039 3.5438 3.5480 8.9447 8.9452 10.7383 10.7416 11.5274 11.5282 13.3774 13.3793 k = 0.2317 0.1277-0.0690 ( 9152 PWs) bands (ev): -40.0514 -40.0514 -40.0074 -40.0074 -39.3309 -39.3309 -39.2989 -39.2989 -17.4842 -17.4842 -13.9474 -13.9474 -13.7317 -13.7315 -13.3999 -13.3997 -4.4947 -4.4945 -2.3953 -2.3918 -2.1362 -2.1308 -1.7928 -1.7909 0.5787 0.5800 0.6284 0.6310 1.9833 1.9874 2.2936 2.3050 2.5596 2.5725 3.0669 3.0698 3.4013 3.4049 3.5515 3.5553 8.9946 8.9951 10.7119 10.7153 11.5325 11.5333 13.3385 13.3402 k = 0.2439 0.1344-0.0726 ( 9158 PWs) bands (ev): -40.0512 -40.0512 -40.0076 -40.0076 -39.3304 -39.3304 -39.2994 -39.2994 -17.4807 -17.4807 -13.9573 -13.9572 -13.7363 -13.7361 -13.3964 -13.3962 -4.4743 -4.4741 -2.3791 -2.3753 -2.1282 -2.1226 -1.7914 -1.7894 0.5584 0.5598 0.6321 0.6346 1.9548 1.9585 2.2871 2.2978 2.5540 2.5658 3.0571 3.0592 3.4030 3.4059 3.5606 3.5640 9.0449 9.0454 10.6865 10.6900 11.5388 11.5396 13.2951 13.2968 k = 0.2561 0.1412-0.0763 ( 9161 PWs) bands (ev): -40.0509 -40.0509 -40.0078 -40.0078 -39.3299 -39.3299 -39.2999 -39.2999 -17.4773 -17.4773 -13.9673 -13.9672 -13.7407 -13.7405 -13.3930 -13.3928 -4.4539 -4.4537 -2.3638 -2.3598 -2.1189 -2.1132 -1.7898 -1.7879 0.5387 0.5401 0.6367 0.6393 1.9238 1.9271 2.2801 2.2902 2.5466 2.5574 3.0488 3.0502 3.4045 3.4067 3.5710 3.5740 9.0953 9.0959 10.6626 10.6661 11.5460 11.5468 13.2488 13.2505 k = 0.2683 0.1479-0.0799 ( 9158 PWs) bands (ev): -40.0506 -40.0506 -40.0081 -40.0081 -39.3294 -39.3294 -39.3004 -39.3004 -17.4738 -17.4738 -13.9773 -13.9773 -13.7448 -13.7447 -13.3897 -13.3895 -4.4335 -4.4333 -2.3495 -2.3454 -2.1083 -2.1026 -1.7880 -1.7861 0.5195 0.5209 0.6424 0.6450 1.8905 1.8935 2.2728 2.2823 2.5379 2.5475 3.0419 3.0425 3.4057 3.4074 3.5828 3.5855 9.1454 9.1461 10.6404 10.6441 11.5539 11.5548 13.2006 13.2023 k = 0.2805 0.1546-0.0835 ( 9166 PWs) bands (ev): -40.0504 -40.0504 -40.0083 -40.0083 -39.3288 -39.3288 -39.3009 -39.3009 -17.4704 -17.4704 -13.9873 -13.9873 -13.7489 -13.7487 -13.3864 -13.3863 -4.4133 -4.4131 -2.3365 -2.3324 -2.0965 -2.0909 -1.7860 -1.7841 0.5011 0.5025 0.6491 0.6517 1.8551 1.8578 2.2652 2.2739 2.5280 2.5366 3.0358 3.0363 3.4068 3.4079 3.5958 3.5981 9.1948 9.1956 10.6206 10.6243 11.5623 11.5632 13.1513 13.1530 k = 0.2927 0.1613-0.0872 ( 9163 PWs) bands (ev): -40.0501 -40.0501 -40.0085 -40.0085 -39.3283 -39.3283 -39.3015 -39.3015 -17.4670 -17.4670 -13.9973 -13.9972 -13.7527 -13.7525 -13.3833 -13.3831 -4.3934 -4.3932 -2.3248 -2.3207 -2.0837 -2.0783 -1.7836 -1.7817 0.4834 0.4848 0.6569 0.6595 1.8177 1.8202 2.2572 2.2653 2.5174 2.5249 3.0302 3.0313 3.4075 3.4083 3.6099 3.6118 9.2431 9.2439 10.6035 10.6071 11.5710 11.5718 13.1016 13.1033 k = 0.3049 0.1680-0.0908 ( 9170 PWs) bands (ev): -40.0499 -40.0499 -40.0088 -40.0088 -39.3277 -39.3277 -39.3020 -39.3020 -17.4636 -17.4636 -14.0070 -14.0070 -13.7562 -13.7561 -13.3803 -13.3801 -4.3739 -4.3737 -2.3143 -2.3103 -2.0700 -2.0649 -1.7808 -1.7789 0.4665 0.4679 0.6658 0.6685 1.7786 1.7809 2.2490 2.2565 2.5064 2.5129 3.0254 3.0271 3.4081 3.4084 3.6248 3.6264 9.2897 9.2905 10.5894 10.5931 11.5796 11.5805 13.0518 13.0535 k = 0.3171 0.1748-0.0944 ( 9165 PWs) bands (ev): -40.0496 -40.0496 -40.0090 -40.0090 -39.3271 -39.3271 -39.3026 -39.3026 -17.4603 -17.4603 -14.0166 -14.0166 -13.7596 -13.7595 -13.3774 -13.3773 -4.3549 -4.3547 -2.3051 -2.3013 -2.0559 -2.0511 -1.7775 -1.7756 0.4505 0.4518 0.6761 0.6787 1.7380 1.7401 2.2407 2.2475 2.4952 2.5007 3.0212 3.0234 3.4083 3.4085 3.6402 3.6416 9.3343 9.3351 10.5788 10.5825 11.5880 11.5888 13.0024 13.0041 k = 0.3293 0.1815-0.0981 ( 9159 PWs) bands (ev): -40.0494 -40.0494 -40.0092 -40.0092 -39.3266 -39.3266 -39.3032 -39.3032 -17.4572 -17.4572 -14.0259 -14.0259 -13.7628 -13.7627 -13.3747 -13.3746 -4.3366 -4.3364 -2.2970 -2.2934 -2.0416 -2.0373 -1.7737 -1.7718 0.4354 0.4366 0.6876 0.6902 1.6961 1.6981 2.2323 2.2385 2.4840 2.4887 3.0175 3.0200 3.4082 3.4085 3.6560 3.6571 9.3762 9.3771 10.5720 10.5756 11.5958 11.5967 12.9537 12.9554 k = 0.3415 0.1882-0.1017 ( 9164 PWs) bands (ev): -40.0492 -40.0492 -40.0095 -40.0095 -39.3260 -39.3260 -39.3038 -39.3038 -17.4541 -17.4541 -14.0349 -14.0348 -13.7658 -13.7657 -13.3721 -13.3720 -4.3191 -4.3189 -2.2899 -2.2865 -2.0276 -2.0237 -1.7692 -1.7674 0.4211 0.4223 0.7005 0.7031 1.6532 1.6551 2.2239 2.2295 2.4732 2.4771 3.0143 3.0170 3.4080 3.4084 3.6720 3.6729 9.4152 9.4161 10.5692 10.5727 11.6030 11.6039 12.9061 12.9078 k = 0.3537 0.1949-0.1053 ( 9158 PWs) bands (ev): -40.0489 -40.0489 -40.0097 -40.0097 -39.3254 -39.3254 -39.3044 -39.3044 -17.4512 -17.4512 -14.0434 -14.0434 -13.7685 -13.7684 -13.3697 -13.3696 -4.3023 -4.3022 -2.2836 -2.2806 -2.0141 -2.0108 -1.7641 -1.7622 0.4078 0.4089 0.7148 0.7174 1.6096 1.6114 2.2156 2.2206 2.4627 2.4660 3.0113 3.0142 3.4077 3.4082 3.6877 3.6885 9.4508 9.4517 10.5705 10.5740 11.6091 11.6100 12.8600 12.8617 k = 0.3659 0.2016-0.1090 ( 9153 PWs) bands (ev): -40.0487 -40.0487 -40.0099 -40.0099 -39.3248 -39.3248 -39.3049 -39.3049 -17.4484 -17.4484 -14.0515 -14.0515 -13.7711 -13.7710 -13.3674 -13.3673 -4.2866 -4.2864 -2.2782 -2.2754 -2.0016 -1.9988 -1.7583 -1.7565 0.3954 0.3965 0.7306 0.7331 1.5656 1.5673 2.2075 2.2120 2.4528 2.4555 3.0087 3.0116 3.4073 3.4079 3.7031 3.7038 9.4828 9.4837 10.5759 10.5793 11.6140 11.6150 12.8157 12.8173 k = 0.3780 0.2084-0.1126 ( 9151 PWs) bands (ev): -40.0485 -40.0485 -40.0101 -40.0101 -39.3242 -39.3242 -39.3055 -39.3055 -17.4458 -17.4458 -14.0591 -14.0590 -13.7734 -13.7733 -13.3654 -13.3653 -4.2719 -4.2717 -2.2735 -2.2710 -1.9902 -1.9879 -1.7519 -1.7501 0.3840 0.3850 0.7478 0.7503 1.5215 1.5231 2.1998 2.2038 2.4436 2.4458 3.0063 3.0092 3.4068 3.4075 3.7179 3.7184 9.5110 9.5119 10.5851 10.5884 11.6176 11.6185 12.7736 12.7752 k = 0.3902 0.2151-0.1162 ( 9159 PWs) bands (ev): -40.0483 -40.0483 -40.0102 -40.0102 -39.3237 -39.3237 -39.3061 -39.3061 -17.4434 -17.4434 -14.0661 -14.0660 -13.7755 -13.7754 -13.3635 -13.3634 -4.2583 -4.2581 -2.2694 -2.2671 -1.9801 -1.9782 -1.7451 -1.7433 0.3735 0.3745 0.7664 0.7688 1.4776 1.4791 2.1925 2.1960 2.4350 2.4368 3.0042 3.0070 3.4064 3.4071 3.7319 3.7324 9.5354 9.5362 10.5979 10.6010 11.6197 11.6206 12.7341 12.7356 k = 0.4024 0.2218-0.1199 ( 9152 PWs) bands (ev): -40.0481 -40.0481 -40.0104 -40.0104 -39.3231 -39.3231 -39.3066 -39.3066 -17.4412 -17.4412 -14.0725 -14.0724 -13.7774 -13.7773 -13.3617 -13.3617 -4.2459 -4.2458 -2.2658 -2.2638 -1.9714 -1.9699 -1.7380 -1.7362 0.3641 0.3650 0.7863 0.7886 1.4342 1.4357 2.1856 2.1887 2.4273 2.4288 3.0023 3.0049 3.4059 3.4066 3.7449 3.7453 9.5560 9.5568 10.6135 10.6164 11.6202 11.6211 12.6976 12.6990 k = 0.4146 0.2285-0.1235 ( 9154 PWs) bands (ev): -40.0480 -40.0480 -40.0105 -40.0105 -39.3226 -39.3226 -39.3071 -39.3071 -17.4393 -17.4393 -14.0782 -14.0782 -13.7791 -13.7790 -13.3602 -13.3601 -4.2348 -4.2347 -2.2627 -2.2610 -1.9640 -1.9629 -1.7308 -1.7291 0.3557 0.3565 0.8075 0.8096 1.3918 1.3932 2.1794 2.1820 2.4204 2.4216 3.0007 3.0031 3.4055 3.4062 3.7568 3.7571 9.5732 9.5739 10.6311 10.6337 11.6193 11.6201 12.6645 12.6658 k = 0.4268 0.2353-0.1271 ( 9146 PWs) bands (ev): -40.0479 -40.0479 -40.0107 -40.0107 -39.3221 -39.3221 -39.3076 -39.3076 -17.4375 -17.4375 -14.0832 -14.0832 -13.7805 -13.7805 -13.3589 -13.3588 -4.2250 -4.2249 -2.2601 -2.2586 -1.9579 -1.9571 -1.7238 -1.7223 0.3484 0.3491 0.8295 0.8315 1.3508 1.3522 2.1738 2.1760 2.4143 2.4153 2.9993 3.0014 3.4051 3.4057 3.7674 3.7676 9.5871 9.5878 10.6498 10.6521 11.6170 11.6178 12.6352 12.6363 k = 0.4390 0.2420-0.1308 ( 9147 PWs) bands (ev): -40.0477 -40.0477 -40.0108 -40.0108 -39.3216 -39.3216 -39.3081 -39.3081 -17.4360 -17.4360 -14.0876 -14.0876 -13.7817 -13.7817 -13.3577 -13.3577 -4.2167 -4.2166 -2.2578 -2.2566 -1.9531 -1.9524 -1.7172 -1.7159 0.3422 0.3428 0.8520 0.8539 1.3120 1.3133 2.1690 2.1708 2.4092 2.4099 2.9981 3.0000 3.4048 3.4053 3.7765 3.7768 9.5981 9.5987 10.6684 10.6705 11.6138 11.6145 12.6099 12.6109 k = 0.4512 0.2487-0.1344 ( 9144 PWs) bands (ev): -40.0476 -40.0476 -40.0109 -40.0109 -39.3212 -39.3212 -39.3085 -39.3085 -17.4348 -17.4348 -14.0912 -14.0911 -13.7827 -13.7827 -13.3568 -13.3568 -4.2098 -4.2097 -2.2560 -2.2551 -1.9493 -1.9488 -1.7115 -1.7104 0.3371 0.3375 0.8744 0.8761 1.2761 1.2773 2.1650 2.1665 2.4049 2.4055 2.9972 2.9987 3.4045 3.4049 3.7842 3.7844 9.6066 9.6071 10.6858 10.6876 11.6101 11.6107 12.5889 12.5897 k = 0.4634 0.2554-0.1380 ( 9145 PWs) bands (ev): -40.0476 -40.0476 -40.0109 -40.0109 -39.3209 -39.3209 -39.3088 -39.3088 -17.4338 -17.4338 -14.0940 -14.0940 -13.7835 -13.7835 -13.3561 -13.3560 -4.2044 -4.2043 -2.2546 -2.2539 -1.9464 -1.9461 -1.7067 -1.7058 0.3331 0.3334 0.8955 0.8969 1.2444 1.2455 2.1619 2.1630 2.4016 2.4020 2.9966 2.9977 3.4043 3.4046 3.7902 3.7903 9.6129 9.6132 10.7009 10.7023 11.6064 11.6069 12.5725 12.5731 k = 0.4756 0.2621-0.1417 ( 9143 PWs) bands (ev): -40.0475 -40.0475 -40.0110 -40.0110 -39.3207 -39.3207 -39.3091 -39.3091 -17.4331 -17.4331 -14.0960 -14.0960 -13.7841 -13.7841 -13.3555 -13.3555 -4.2005 -4.2004 -2.2535 -2.2531 -1.9445 -1.9443 -1.7031 -1.7025 0.3302 0.3305 0.9136 0.9147 1.2187 1.2196 2.1597 2.1604 2.3993 2.3996 2.9962 2.9969 3.4041 3.4044 3.7946 3.7947 9.6172 9.6174 10.7127 10.7136 11.6032 11.6036 12.5607 12.5611 k = 0.4878 0.2689-0.1453 ( 9136 PWs) bands (ev): -40.0475 -40.0475 -40.0110 -40.0110 -39.3205 -39.3205 -39.3092 -39.3092 -17.4327 -17.4327 -14.0972 -14.0972 -13.7844 -13.7844 -13.3552 -13.3552 -4.1981 -4.1981 -2.2529 -2.2526 -1.9433 -1.9432 -1.7008 -1.7005 0.3285 0.3287 0.9264 0.9270 1.2017 1.2022 2.1584 2.1588 2.3979 2.3980 2.9960 2.9964 3.4041 3.4042 3.7972 3.7973 9.6197 9.6198 10.7202 10.7206 11.6011 11.6013 12.5537 12.5539 k = 0.5000 0.2756-0.1489 ( 9132 PWs) bands (ev): -40.0474 -40.0474 -40.0110 -40.0110 -39.3204 -39.3204 -39.3093 -39.3093 -17.4326 -17.4326 -14.0976 -14.0976 -13.7845 -13.7845 -13.3551 -13.3551 -4.1973 -4.1973 -2.2526 -2.2526 -1.9429 -1.9429 -1.6999 -1.6999 0.3280 0.3280 0.9312 0.9312 1.1958 1.1958 2.1581 2.1581 2.3975 2.3975 2.9961 2.9961 3.4041 3.4041 3.7981 3.7981 9.6205 9.6205 10.7229 10.7229 11.6004 11.6004 12.5514 12.5514 k = 0.5000 0.2756-0.1489 ( 9132 PWs) bands (ev): -40.0474 -40.0474 -40.0110 -40.0110 -39.3204 -39.3204 -39.3093 -39.3093 -17.4326 -17.4326 -14.0976 -14.0976 -13.7845 -13.7845 -13.3551 -13.3551 -4.1973 -4.1973 -2.2526 -2.2526 -1.9429 -1.9429 -1.6999 -1.6999 0.3280 0.3280 0.9312 0.9312 1.1958 1.1958 2.1581 2.1581 2.3975 2.3975 2.9961 2.9961 3.4041 3.4041 3.7981 3.7981 9.6205 9.6205 10.7229 10.7229 11.6004 11.6004 12.5514 12.5514 k = 0.5032 0.2774-0.1349 ( 9134 PWs) bands (ev): -40.0474 -40.0474 -40.0110 -40.0110 -39.3205 -39.3205 -39.3093 -39.3093 -17.4325 -17.4325 -14.0976 -14.0976 -13.7844 -13.7844 -13.3554 -13.3554 -4.1970 -4.1970 -2.2528 -2.2527 -1.9431 -1.9430 -1.7000 -1.6999 0.3286 0.3288 0.9308 0.9310 1.1961 1.1961 2.1576 2.1585 2.3975 2.3981 2.9951 2.9953 3.4046 3.4052 3.7977 3.7979 9.6213 9.6214 10.7214 10.7215 11.6007 11.6008 12.5534 12.5536 k = 0.5064 0.2791-0.1208 ( 9144 PWs) bands (ev): -40.0474 -40.0474 -40.0110 -40.0110 -39.3205 -39.3205 -39.3093 -39.3093 -17.4323 -17.4323 -14.0977 -14.0977 -13.7840 -13.7840 -13.3564 -13.3564 -4.1962 -4.1962 -2.2535 -2.2532 -1.9438 -1.9435 -1.7003 -1.7000 0.3307 0.3309 0.9297 0.9300 1.1969 1.1971 2.1570 2.1587 2.3980 2.3992 2.9924 2.9927 3.4066 3.4079 3.7965 3.7971 9.6237 9.6240 10.7170 10.7172 11.6017 11.6019 12.5597 12.5600 k = 0.5096 0.2809-0.1067 ( 9141 PWs) bands (ev): -40.0474 -40.0474 -40.0110 -40.0110 -39.3205 -39.3205 -39.3093 -39.3093 -17.4320 -17.4320 -14.0978 -14.0978 -13.7834 -13.7834 -13.3580 -13.3580 -4.1948 -4.1947 -2.2545 -2.2541 -1.9448 -1.9444 -1.7007 -1.7003 0.3340 0.3345 0.9279 0.9284 1.1984 1.1986 2.1563 2.1588 2.3990 2.4008 2.9880 2.9885 3.4102 3.4122 3.7947 3.7956 9.6277 9.6282 10.7097 10.7101 11.6034 11.6037 12.5701 12.5706 k = 0.5129 0.2827-0.0926 ( 9151 PWs) bands (ev): -40.0474 -40.0474 -40.0111 -40.0111 -39.3205 -39.3205 -39.3093 -39.3093 -17.4316 -17.4316 -14.0979 -14.0979 -13.7826 -13.7825 -13.3602 -13.3602 -4.1928 -4.1927 -2.2559 -2.2554 -1.9462 -1.9456 -1.7013 -1.7007 0.3388 0.3393 0.9255 0.9261 1.2005 1.2008 2.1556 2.1588 2.4004 2.4028 2.9819 2.9825 3.4153 3.4179 3.7923 3.7935 9.6334 9.6340 10.6998 10.7003 11.6057 11.6061 12.5845 12.5852 k = 0.5161 0.2844-0.0785 ( 9151 PWs) bands (ev): -40.0474 -40.0474 -40.0111 -40.0111 -39.3205 -39.3205 -39.3093 -39.3093 -17.4311 -17.4311 -14.0980 -14.0980 -13.7815 -13.7815 -13.3630 -13.3630 -4.1903 -4.1902 -2.2577 -2.2571 -1.9479 -1.9473 -1.7020 -1.7012 0.3449 0.3456 0.9225 0.9232 1.2033 1.2036 2.1547 2.1587 2.4021 2.4050 2.9742 2.9750 3.4219 3.4251 3.7892 3.7908 9.6406 9.6415 10.6875 10.6880 11.6086 11.6091 12.6027 12.6035 k = 0.5193 0.2862-0.0645 ( 9156 PWs) bands (ev): -40.0474 -40.0474 -40.0111 -40.0111 -39.3205 -39.3205 -39.3092 -39.3092 -17.4304 -17.4304 -14.0982 -14.0982 -13.7801 -13.7801 -13.3664 -13.3664 -4.1873 -4.1872 -2.2598 -2.2590 -1.9500 -1.9492 -1.7028 -1.7019 0.3524 0.3532 0.9189 0.9198 1.2067 1.2071 2.1539 2.1585 2.4041 2.4075 2.9650 2.9659 3.4297 3.4336 3.7857 3.7875 9.6495 9.6504 10.6729 10.6735 11.6120 11.6126 12.6244 12.6254 k = 0.5225 0.2880-0.0504 ( 9156 PWs) bands (ev): -40.0473 -40.0473 -40.0111 -40.0111 -39.3206 -39.3206 -39.3092 -39.3092 -17.4297 -17.4297 -14.0984 -14.0984 -13.7786 -13.7785 -13.3704 -13.3704 -4.1838 -4.1837 -2.2622 -2.2613 -1.9525 -1.9515 -1.7039 -1.7028 0.3612 0.3621 0.9148 0.9159 1.2109 1.2114 2.1530 2.1582 2.4061 2.4099 2.9543 2.9553 3.4389 3.4433 3.7816 3.7838 9.6598 9.6609 10.6562 10.6569 11.6159 11.6166 12.6494 12.6505 k = 0.5257 0.2898-0.0363 ( 9160 PWs) bands (ev): -40.0473 -40.0473 -40.0111 -40.0111 -39.3206 -39.3206 -39.3092 -39.3092 -17.4289 -17.4288 -14.0986 -14.0986 -13.7768 -13.7767 -13.3750 -13.3749 -4.1799 -4.1798 -2.2648 -2.2638 -1.9552 -1.9542 -1.7051 -1.7040 0.3713 0.3723 0.9103 0.9115 1.2159 1.2163 2.1521 2.1579 2.4080 2.4122 2.9423 2.9435 3.4491 3.4541 3.7771 3.7797 9.6716 9.6729 10.6378 10.6385 11.6202 11.6209 12.6774 12.6787 k = 0.5289 0.2915-0.0222 ( 9163 PWs) bands (ev): -40.0473 -40.0473 -40.0111 -40.0111 -39.3207 -39.3207 -39.3092 -39.3092 -17.4279 -17.4279 -14.0989 -14.0989 -13.7748 -13.7747 -13.3800 -13.3800 -4.1757 -4.1756 -2.2677 -2.2666 -1.9583 -1.9572 -1.7065 -1.7053 0.3826 0.3838 0.9055 0.9068 1.2216 1.2221 2.1513 2.1576 2.4097 2.4142 2.9292 2.9304 3.4603 3.4659 3.7722 3.7753 9.6848 9.6862 10.6178 10.6186 11.6247 11.6255 12.7081 12.7094 k = 0.5322 0.2933-0.0082 ( 9161 PWs) bands (ev): -40.0472 -40.0472 -40.0111 -40.0111 -39.3207 -39.3207 -39.3092 -39.3092 -17.4269 -17.4269 -14.0991 -14.0991 -13.7725 -13.7725 -13.3856 -13.3855 -4.1711 -4.1710 -2.2708 -2.2696 -1.9617 -1.9605 -1.7082 -1.7068 0.3953 0.3966 0.9003 0.9018 1.2283 1.2287 2.1504 2.1572 2.4108 2.4157 2.9149 2.9162 3.4724 3.4786 3.7670 3.7705 9.6994 9.7009 10.5966 10.5973 11.6294 11.6303 12.7411 12.7426 k = 0.5354 0.2951 0.0059 ( 9162 PWs) bands (ev): -40.0472 -40.0472 -40.0111 -40.0111 -39.3207 -39.3207 -39.3091 -39.3091 -17.4258 -17.4258 -14.0993 -14.0993 -13.7701 -13.7700 -13.3916 -13.3916 -4.1663 -4.1661 -2.2740 -2.2727 -1.9654 -1.9640 -1.7101 -1.7086 0.4091 0.4105 0.8950 0.8966 1.2358 1.2362 2.1495 2.1567 2.4112 2.4164 2.8998 2.9012 3.4853 3.4920 3.7616 3.7657 9.7153 9.7169 10.5743 10.5751 11.6342 11.6351 12.7763 12.7778 k = 0.5386 0.2969 0.0200 ( 9171 PWs) bands (ev): -40.0472 -40.0472 -40.0111 -40.0111 -39.3208 -39.3208 -39.3091 -39.3091 -17.4247 -17.4247 -14.0996 -14.0996 -13.7674 -13.7674 -13.3981 -13.3980 -4.1612 -4.1611 -2.2773 -2.2759 -1.9693 -1.9679 -1.7123 -1.7107 0.4242 0.4256 0.8896 0.8913 1.2442 1.2446 2.1486 2.1562 2.4107 2.4162 2.8840 2.8855 3.4986 3.5060 3.7561 3.7607 9.7323 9.7341 10.5511 10.5519 11.6390 11.6400 12.8132 12.8149 k = 0.5418 0.2986 0.0341 ( 9167 PWs) bands (ev): -40.0471 -40.0471 -40.0111 -40.0111 -39.3209 -39.3209 -39.3091 -39.3091 -17.4235 -17.4235 -14.0998 -14.0998 -13.7646 -13.7645 -13.4049 -13.4048 -4.1560 -4.1559 -2.2808 -2.2793 -1.9734 -1.9720 -1.7147 -1.7130 0.4404 0.4419 0.8842 0.8860 1.2536 1.2540 2.1476 2.1556 2.4090 2.4148 2.8677 2.8693 3.5123 3.5203 3.7507 3.7558 9.7505 9.7524 10.5274 10.5282 11.6437 11.6448 12.8517 12.8535 k = 0.5450 0.3004 0.0482 ( 9169 PWs) bands (ev): -40.0471 -40.0471 -40.0111 -40.0111 -39.3209 -39.3209 -39.3090 -39.3090 -17.4222 -17.4222 -14.1000 -14.1000 -13.7615 -13.7615 -13.4121 -13.4120 -4.1508 -4.1506 -2.2842 -2.2826 -1.9778 -1.9763 -1.7174 -1.7156 0.4576 0.4593 0.8789 0.8807 1.2640 1.2644 2.1466 2.1549 2.4059 2.4121 2.8512 2.8528 3.5262 3.5347 3.7453 3.7510 9.7698 9.7717 10.5032 10.5040 11.6483 11.6493 12.8916 12.8934 k = 0.5482 0.3022 0.0622 ( 9169 PWs) bands (ev): -40.0470 -40.0470 -40.0111 -40.0111 -39.3210 -39.3210 -39.3090 -39.3090 -17.4209 -17.4209 -14.1001 -14.1001 -13.7583 -13.7583 -13.4196 -13.4195 -4.1455 -4.1453 -2.2876 -2.2860 -1.9824 -1.9808 -1.7203 -1.7185 0.4759 0.4776 0.8738 0.8757 1.2754 1.2757 2.1453 2.1541 2.4011 2.4078 2.8345 2.8364 3.5400 3.5491 3.7402 3.7466 9.7901 9.7920 10.4787 10.4794 11.6525 11.6536 12.9325 12.9345 k = 0.5515 0.3039 0.0763 ( 9175 PWs) bands (ev): -40.0470 -40.0470 -40.0111 -40.0111 -39.3211 -39.3211 -39.3089 -39.3089 -17.4196 -17.4196 -14.1002 -14.1002 -13.7549 -13.7549 -13.4274 -13.4273 -4.1403 -4.1401 -2.2911 -2.2893 -1.9871 -1.9854 -1.7236 -1.7216 0.4952 0.4970 0.8690 0.8710 1.2878 1.2881 2.1438 2.1530 2.3946 2.4017 2.8181 2.8201 3.5535 3.5631 3.7357 3.7427 9.8112 9.8132 10.4541 10.4548 11.6563 11.6574 12.9744 12.9764 k = 0.5547 0.3057 0.0904 ( 9179 PWs) bands (ev): -40.0469 -40.0469 -40.0111 -40.0111 -39.3212 -39.3212 -39.3089 -39.3089 -17.4183 -17.4183 -14.1003 -14.1003 -13.7514 -13.7513 -13.4354 -13.4353 -4.1352 -4.1349 -2.2944 -2.2926 -1.9920 -1.9903 -1.7271 -1.7251 0.5153 0.5171 0.8646 0.8667 1.3013 1.3015 2.1419 2.1516 2.3860 2.3937 2.8021 2.8042 3.5663 3.5764 3.7320 3.7396 9.8331 9.8352 10.4294 10.4300 11.6597 11.6608 13.0169 13.0190 k = 0.5579 0.3075 0.1045 ( 9173 PWs) bands (ev): -40.0469 -40.0469 -40.0111 -40.0111 -39.3213 -39.3213 -39.3088 -39.3088 -17.4170 -17.4170 -14.1004 -14.1003 -13.7477 -13.7477 -13.4435 -13.4435 -4.1303 -4.1300 -2.2976 -2.2958 -1.9970 -1.9952 -1.7309 -1.7288 0.5362 0.5381 0.8608 0.8630 1.3159 1.3160 2.1396 2.1499 2.3754 2.3838 2.7867 2.7890 3.5781 3.5885 3.7295 3.7375 9.8557 9.8579 10.4047 10.4054 11.6626 11.6637 13.0601 13.0623 k = 0.5611 0.3093 0.1185 ( 9155 PWs) bands (ev): -40.0468 -40.0468 -40.0111 -40.0111 -39.3214 -39.3214 -39.3087 -39.3087 -17.4157 -17.4156 -14.1003 -14.1003 -13.7439 -13.7439 -13.4518 -13.4517 -4.1256 -4.1254 -2.3007 -2.2988 -2.0020 -2.0002 -1.7350 -1.7329 0.5578 0.5596 0.8576 0.8599 1.3315 1.3316 2.1367 2.1476 2.3628 2.3719 2.7720 2.7745 3.5884 3.5989 3.7286 3.7369 9.8789 9.8811 10.3802 10.3809 11.6649 11.6659 13.1037 13.1059 k = 0.5643 0.3110 0.1326 ( 9153 PWs) bands (ev): -40.0468 -40.0468 -40.0111 -40.0111 -39.3215 -39.3215 -39.3086 -39.3086 -17.4144 -17.4144 -14.1002 -14.1002 -13.7400 -13.7400 -13.4601 -13.4601 -4.1213 -4.1210 -2.3036 -2.3017 -2.0071 -2.0053 -1.7393 -1.7371 0.5798 0.5817 0.8554 0.8577 1.3482 1.3483 2.1330 2.1445 2.3483 2.3582 2.7581 2.7609 3.5970 3.6071 3.7297 3.7379 9.9025 9.9047 10.3559 10.3566 11.6666 11.6676 13.1476 13.1499 k = 0.5675 0.3128 0.1467 ( 9153 PWs) bands (ev): -40.0467 -40.0467 -40.0110 -40.0110 -39.3216 -39.3216 -39.3086 -39.3086 -17.4131 -17.4131 -14.1001 -14.1001 -13.7361 -13.7360 -13.4685 -13.4684 -4.1173 -4.1171 -2.3064 -2.3044 -2.0122 -2.0104 -1.7439 -1.7417 0.6020 0.6039 0.8542 0.8566 1.3659 1.3661 2.1281 2.1405 2.3321 2.3430 2.7451 2.7480 3.6034 3.6127 3.7333 3.7408 9.9264 9.9287 10.3319 10.3326 11.6676 11.6686 13.1918 13.1942 k = 0.5708 0.3146 0.1608 ( 9157 PWs) bands (ev): -40.0467 -40.0467 -40.0110 -40.0110 -39.3217 -39.3217 -39.3085 -39.3085 -17.4119 -17.4119 -14.0998 -14.0998 -13.7321 -13.7320 -13.4768 -13.4767 -4.1138 -4.1136 -2.3089 -2.3069 -2.0174 -2.0155 -1.7487 -1.7464 0.6242 0.6261 0.8543 0.8568 1.3846 1.3849 2.1218 2.1350 2.3148 2.3268 2.7329 2.7361 3.6075 3.6155 3.7393 3.7458 9.9504 9.9527 10.3083 10.3090 11.6680 11.6689 13.2361 13.2385 k = 0.5740 0.3163 0.1749 ( 9165 PWs) bands (ev): -40.0467 -40.0467 -40.0110 -40.0110 -39.3219 -39.3219 -39.3084 -39.3084 -17.4108 -17.4108 -14.0995 -14.0995 -13.7280 -13.7280 -13.4849 -13.4849 -4.1109 -4.1106 -2.3112 -2.3091 -2.0224 -2.0206 -1.7537 -1.7514 0.6459 0.6479 0.8561 0.8586 1.4044 1.4048 2.1136 2.1276 2.2970 2.3100 2.7215 2.7249 3.6094 3.6158 3.7473 3.7526 9.9742 9.9765 10.2851 10.2859 11.6678 11.6686 13.2803 13.2828 k = 0.5772 0.3181 0.1889 ( 9167 PWs) bands (ev): -40.0467 -40.0467 -40.0110 -40.0110 -39.3220 -39.3220 -39.3083 -39.3083 -17.4097 -17.4097 -14.0991 -14.0991 -13.7240 -13.7240 -13.4929 -13.4928 -4.1084 -4.1082 -2.3133 -2.3111 -2.0274 -2.0256 -1.7589 -1.7566 0.6667 0.6687 0.8601 0.8626 1.4252 1.4257 2.1029 2.1176 2.2796 2.2934 2.7108 2.7144 3.6094 3.6142 3.7569 3.7609 9.9974 9.9998 10.2627 10.2636 11.6669 11.6677 13.3245 13.3270 k = 0.5804 0.3199 0.2030 ( 9158 PWs) bands (ev): -40.0466 -40.0466 -40.0110 -40.0110 -39.3221 -39.3221 -39.3081 -39.3081 -17.4087 -17.4087 -14.0985 -14.0985 -13.7201 -13.7200 -13.5006 -13.5005 -4.1066 -4.1063 -2.3150 -2.3129 -2.0323 -2.0305 -1.7643 -1.7619 0.6859 0.6880 0.8668 0.8693 1.4470 1.4476 2.0892 2.1042 2.2635 2.2778 2.7008 2.7045 3.6078 3.6110 3.7675 3.7703 10.0195 10.0218 10.2415 10.2425 11.6656 11.6663 13.3684 13.3709 k = 0.5836 0.3217 0.2171 ( 9168 PWs) bands (ev): -40.0466 -40.0466 -40.0110 -40.0110 -39.3223 -39.3223 -39.3080 -39.3080 -17.4079 -17.4079 -14.0979 -14.0979 -13.7162 -13.7162 -13.5079 -13.5079 -4.1054 -4.1051 -2.3166 -2.3144 -2.0371 -2.0353 -1.7698 -1.7674 0.7029 0.7051 0.8768 0.8792 1.4698 1.4705 2.0722 2.0870 2.2494 2.2637 2.6913 2.6952 3.6049 3.6067 3.7786 3.7804 10.0394 10.0416 10.2224 10.2236 11.6638 11.6644 13.4119 13.4145 k = 0.5868 0.3234 0.2312 ( 9168 PWs) bands (ev): -40.0466 -40.0466 -40.0110 -40.0110 -39.3224 -39.3224 -39.3079 -39.3079 -17.4071 -17.4071 -14.0972 -14.0972 -13.7126 -13.7125 -13.5149 -13.5148 -4.1049 -4.1046 -2.3178 -2.3156 -2.0418 -2.0399 -1.7754 -1.7730 0.7172 0.7194 0.8905 0.8929 1.4934 1.4943 2.0515 2.0657 2.2377 2.2516 2.6822 2.6863 3.6012 3.6016 3.7897 3.7910 10.0549 10.0570 10.2073 10.2086 11.6616 11.6621 13.4549 13.4574 k = 0.5901 0.3252 0.2452 ( 9162 PWs) bands (ev): -40.0466 -40.0466 -40.0109 -40.0109 -39.3226 -39.3226 -39.3078 -39.3078 -17.4064 -17.4064 -14.0963 -14.0963 -13.7092 -13.7091 -13.5212 -13.5212 -4.1051 -4.1048 -2.3188 -2.3165 -2.0462 -2.0444 -1.7811 -1.7788 0.7285 0.7307 0.9081 0.9103 1.5180 1.5189 2.0272 2.0405 2.2285 2.2416 2.6737 2.6779 3.5959 3.5967 3.8003 3.8018 10.0632 10.0648 10.1992 10.2005 11.6592 11.6596 13.4970 13.4996 k = 0.5901 0.3252 0.2452 ( 9162 PWs) bands (ev): -40.0466 -40.0466 -40.0109 -40.0109 -39.3226 -39.3226 -39.3078 -39.3078 -17.4064 -17.4064 -14.0963 -14.0963 -13.7092 -13.7091 -13.5212 -13.5212 -4.1051 -4.1048 -2.3188 -2.3165 -2.0462 -2.0444 -1.7811 -1.7788 0.7285 0.7307 0.9081 0.9103 1.5180 1.5189 2.0272 2.0405 2.2285 2.2416 2.6737 2.6779 3.5959 3.5967 3.8003 3.8018 10.0632 10.0648 10.1992 10.2005 11.6592 11.6596 13.4970 13.4996 k = 0.5831 0.3214 0.2567 ( 9164 PWs) bands (ev): -40.0465 -40.0465 -40.0110 -40.0110 -39.3223 -39.3223 -39.3081 -39.3081 -17.4045 -17.4045 -14.0998 -14.0997 -13.7085 -13.7085 -13.5240 -13.5240 -4.0999 -4.0996 -2.3168 -2.3147 -2.0462 -2.0446 -1.7786 -1.7764 0.7342 0.7363 0.9290 0.9312 1.5220 1.5230 2.0066 2.0192 2.2150 2.2273 2.6568 2.6609 3.6061 3.6070 3.8045 3.8060 10.0430 10.0445 10.2043 10.2056 11.6816 11.6820 13.5042 13.5068 k = 0.5762 0.3176 0.2682 ( 9169 PWs) bands (ev): -40.0464 -40.0464 -40.0111 -40.0111 -39.3220 -39.3220 -39.3084 -39.3084 -17.4026 -17.4026 -14.1029 -14.1029 -13.7079 -13.7079 -13.5266 -13.5266 -4.0952 -4.0949 -2.3150 -2.3131 -2.0463 -2.0448 -1.7761 -1.7740 0.7397 0.7416 0.9493 0.9515 1.5274 1.5286 1.9851 1.9969 2.2025 2.2139 2.6410 2.6448 3.6157 3.6167 3.8084 3.8098 10.0230 10.0243 10.2092 10.2104 11.7055 11.7058 13.5069 13.5094 k = 0.5693 0.3138 0.2796 ( 9170 PWs) bands (ev): -40.0463 -40.0463 -40.0112 -40.0112 -39.3217 -39.3217 -39.3087 -39.3087 -17.4010 -17.4010 -14.1058 -14.1058 -13.7073 -13.7073 -13.5290 -13.5290 -4.0910 -4.0908 -2.3133 -2.3116 -2.0464 -2.0451 -1.7737 -1.7717 0.7448 0.7466 0.9689 0.9709 1.5344 1.5357 1.9627 1.9736 2.1911 2.2016 2.6262 2.6298 3.6247 3.6257 3.8120 3.8133 10.0039 10.0050 10.2136 10.2147 11.7304 11.7306 13.5053 13.5077 k = 0.5623 0.3099 0.2911 ( 9175 PWs) bands (ev): -40.0462 -40.0462 -40.0112 -40.0112 -39.3214 -39.3214 -39.3090 -39.3090 -17.3994 -17.3994 -14.1085 -14.1085 -13.7067 -13.7067 -13.5313 -13.5313 -4.0872 -4.0870 -2.3119 -2.3103 -2.0466 -2.0454 -1.7713 -1.7694 0.7497 0.7513 0.9873 0.9892 1.5431 1.5445 1.9396 1.9496 2.1809 2.1903 2.6126 2.6160 3.6329 3.6340 3.8151 3.8164 9.9859 9.9870 10.2171 10.2182 11.7557 11.7560 13.5000 13.5023 k = 0.5554 0.3061 0.3025 ( 9175 PWs) bands (ev): -40.0462 -40.0462 -40.0113 -40.0113 -39.3212 -39.3212 -39.3092 -39.3092 -17.3980 -17.3980 -14.1109 -14.1109 -13.7062 -13.7062 -13.5333 -13.5333 -4.0840 -4.0838 -2.3106 -2.3092 -2.0468 -2.0458 -1.7690 -1.7673 0.7541 0.7556 1.0044 1.0062 1.5535 1.5550 1.9158 1.9248 2.1718 2.1801 2.6002 2.6033 3.6404 3.6415 3.8180 3.8192 9.9695 9.9704 10.2200 10.2209 11.7809 11.7812 13.4918 13.4939 k = 0.5485 0.3023 0.3140 ( 9171 PWs) bands (ev): -40.0461 -40.0461 -40.0114 -40.0114 -39.3209 -39.3209 -39.3094 -39.3094 -17.3968 -17.3968 -14.1130 -14.1130 -13.7057 -13.7057 -13.5352 -13.5352 -4.0811 -4.0810 -2.3095 -2.3083 -2.0470 -2.0462 -1.7668 -1.7654 0.7582 0.7595 1.0199 1.0215 1.5656 1.5672 1.8915 1.8996 2.1639 2.1711 2.5891 2.5918 3.6472 3.6482 3.8204 3.8216 9.9547 9.9555 10.2221 10.2229 11.8054 11.8057 13.4814 13.4833 k = 0.5416 0.2985 0.3254 ( 9169 PWs) bands (ev): -40.0460 -40.0460 -40.0114 -40.0114 -39.3207 -39.3207 -39.3097 -39.3097 -17.3957 -17.3957 -14.1149 -14.1149 -13.7052 -13.7052 -13.5368 -13.5368 -4.0787 -4.0786 -2.3085 -2.3074 -2.0472 -2.0465 -1.7649 -1.7636 0.7618 0.7629 1.0336 1.0351 1.5795 1.5812 1.8669 1.8742 2.1571 2.1632 2.5794 2.5818 3.6531 3.6540 3.8226 3.8236 9.9418 9.9425 10.2237 10.2244 11.8285 11.8288 13.4697 13.4714 k = 0.5346 0.2947 0.3369 ( 9167 PWs) bands (ev): -40.0460 -40.0460 -40.0114 -40.0114 -39.3205 -39.3205 -39.3098 -39.3098 -17.3948 -17.3948 -14.1164 -14.1164 -13.7049 -13.7048 -13.5382 -13.5382 -4.0767 -4.0766 -2.3076 -2.3068 -2.0474 -2.0468 -1.7632 -1.7621 0.7650 0.7659 1.0455 1.0468 1.5948 1.5967 1.8423 1.8487 2.1514 2.1565 2.5711 2.5731 3.6582 3.6590 3.8244 3.8253 9.9307 9.9313 10.2247 10.2253 11.8496 11.8499 13.4577 13.4592 k = 0.5277 0.2909 0.3483 ( 9163 PWs) bands (ev): -40.0459 -40.0459 -40.0115 -40.0115 -39.3204 -39.3204 -39.3100 -39.3100 -17.3940 -17.3940 -14.1177 -14.1177 -13.7045 -13.7045 -13.5394 -13.5394 -4.0751 -4.0750 -2.3069 -2.3062 -2.0476 -2.0471 -1.7617 -1.7608 0.7676 0.7683 1.0553 1.0564 1.6115 1.6135 1.8180 1.8236 2.1469 2.1509 2.5642 2.5658 3.6624 3.6631 3.8259 3.8266 9.9217 9.9221 10.2254 10.2259 11.8680 11.8682 13.4464 13.4476 k = 0.5208 0.2870 0.3598 ( 9165 PWs) bands (ev): -40.0459 -40.0459 -40.0115 -40.0115 -39.3202 -39.3202 -39.3101 -39.3101 -17.3934 -17.3934 -14.1187 -14.1187 -13.7042 -13.7042 -13.5403 -13.5403 -4.0738 -4.0737 -2.3063 -2.3058 -2.0477 -2.0474 -1.7605 -1.7598 0.7697 0.7703 1.0631 1.0639 1.6289 1.6310 1.7948 1.7995 2.1435 2.1465 2.5589 2.5601 3.6658 3.6663 3.8270 3.8276 9.9146 9.9149 10.2259 10.2263 11.8830 11.8832 13.4366 13.4375 k = 0.5139 0.2832 0.3713 ( 9161 PWs) bands (ev): -40.0459 -40.0459 -40.0115 -40.0115 -39.3201 -39.3201 -39.3102 -39.3102 -17.3930 -17.3930 -14.1194 -14.1194 -13.7041 -13.7040 -13.5410 -13.5409 -4.0729 -4.0729 -2.3059 -2.3056 -2.0478 -2.0476 -1.7596 -1.7591 0.7712 0.7716 1.0687 1.0693 1.6461 1.6480 1.7737 1.7775 2.1412 2.1432 2.5551 2.5559 3.6682 3.6686 3.8279 3.8283 9.9095 9.9097 10.2262 10.2264 11.8942 11.8943 13.4291 13.4297 k = 0.5069 0.2794 0.3827 ( 9147 PWs) bands (ev): -40.0459 -40.0459 -40.0115 -40.0115 -39.3201 -39.3201 -39.3103 -39.3103 -17.3927 -17.3927 -14.1199 -14.1199 -13.7039 -13.7039 -13.5413 -13.5413 -4.0724 -4.0723 -2.3056 -2.3054 -2.0479 -2.0478 -1.7590 -1.7588 0.7722 0.7724 1.0721 1.0724 1.6606 1.6620 1.7575 1.7598 2.1400 2.1410 2.5529 2.5533 3.6697 3.6699 3.8284 3.8286 9.9065 9.9066 10.2263 10.2264 11.9011 11.9012 13.4244 13.4247 k = 0.5000 0.2756 0.3942 ( 9150 PWs) bands (ev): -40.0459 -40.0459 -40.0115 -40.0115 -39.3201 -39.3201 -39.3103 -39.3103 -17.3926 -17.3926 -14.1200 -14.1200 -13.7039 -13.7039 -13.5415 -13.5415 -4.0722 -4.0722 -2.3054 -2.3054 -2.0478 -2.0478 -1.7587 -1.7587 0.7726 0.7726 1.0734 1.0734 1.6673 1.6673 1.7517 1.7517 2.1400 2.1400 2.5523 2.5523 3.6703 3.6703 3.8287 3.8287 9.9055 9.9055 10.2264 10.2264 11.9034 11.9034 13.4229 13.4229 k = 0.5000 0.2756 0.3942 ( 9150 PWs) bands (ev): -40.0459 -40.0459 -40.0115 -40.0115 -39.3201 -39.3201 -39.3103 -39.3103 -17.3926 -17.3926 -14.1200 -14.1200 -13.7039 -13.7039 -13.5415 -13.5415 -4.0722 -4.0722 -2.3054 -2.3054 -2.0478 -2.0478 -1.7587 -1.7587 0.7726 0.7726 1.0734 1.0734 1.6673 1.6673 1.7517 1.7517 2.1400 2.1400 2.5523 2.5523 3.6703 3.6703 3.8287 3.8287 9.9055 9.9055 10.2264 10.2264 11.9034 11.9034 13.4229 13.4229 k = 0.5069 0.2631 0.3942 ( 9146 PWs) bands (ev): -40.0458 -40.0458 -40.0115 -40.0115 -39.3201 -39.3201 -39.3103 -39.3103 -17.3927 -17.3927 -14.1200 -14.1200 -13.7039 -13.7039 -13.5415 -13.5415 -4.0722 -4.0722 -2.3054 -2.3054 -2.0485 -2.0484 -1.7594 -1.7592 0.7730 0.7731 1.0740 1.0742 1.6674 1.6675 1.7520 1.7524 2.1400 2.1401 2.5533 2.5534 3.6702 3.6702 3.8282 3.8282 9.9045 9.9045 10.2234 10.2235 11.9058 11.9062 13.4250 13.4251 k = 0.5138 0.2506 0.3942 ( 9152 PWs) bands (ev): -40.0458 -40.0458 -40.0116 -40.0116 -39.3201 -39.3201 -39.3103 -39.3103 -17.3928 -17.3928 -14.1197 -14.1197 -13.7041 -13.7041 -13.5414 -13.5414 -4.0723 -4.0723 -2.3054 -2.3053 -2.0502 -2.0500 -1.7611 -1.7609 0.7741 0.7744 1.0760 1.0764 1.6677 1.6678 1.7532 1.7539 2.1402 2.1405 2.5565 2.5566 3.6698 3.6699 3.8268 3.8269 9.9013 9.9014 10.2146 10.2148 11.9132 11.9139 13.4313 13.4315 k = 0.5207 0.2381 0.3942 ( 9162 PWs) bands (ev): -40.0457 -40.0457 -40.0117 -40.0117 -39.3201 -39.3201 -39.3102 -39.3102 -17.3929 -17.3929 -14.1194 -14.1194 -13.7043 -13.7043 -13.5414 -13.5413 -4.0724 -4.0724 -2.3052 -2.3051 -2.0531 -2.0528 -1.7640 -1.7637 0.7761 0.7765 1.0794 1.0801 1.6682 1.6684 1.7553 1.7563 2.1406 2.1411 2.5619 2.5620 3.6693 3.6694 3.8245 3.8246 9.8962 9.8963 10.2002 10.2005 11.9254 11.9264 13.4418 13.4421 k = 0.5275 0.2256 0.3942 ( 9164 PWs) bands (ev): -40.0456 -40.0456 -40.0118 -40.0118 -39.3202 -39.3202 -39.3102 -39.3102 -17.3932 -17.3932 -14.1189 -14.1189 -13.7047 -13.7047 -13.5413 -13.5413 -4.0726 -4.0725 -2.3051 -2.3049 -2.0571 -2.0567 -1.7680 -1.7676 0.7789 0.7794 1.0842 1.0851 1.6689 1.6691 1.7582 1.7596 2.1411 2.1417 2.5693 2.5695 3.6685 3.6686 3.8213 3.8214 9.8891 9.8893 10.1805 10.1809 11.9421 11.9434 13.4561 13.4565 k = 0.5344 0.2131 0.3942 ( 9160 PWs) bands (ev): -40.0454 -40.0454 -40.0120 -40.0120 -39.3202 -39.3202 -39.3101 -39.3101 -17.3935 -17.3935 -14.1183 -14.1182 -13.7051 -13.7051 -13.5412 -13.5411 -4.0729 -4.0728 -2.3048 -2.3046 -2.0622 -2.0616 -1.7731 -1.7725 0.7826 0.7832 1.0904 1.0915 1.6698 1.6701 1.7619 1.7636 2.1417 2.1425 2.5789 2.5792 3.6675 3.6676 3.8172 3.8173 9.8803 9.8805 10.1560 10.1564 11.9628 11.9645 13.4739 13.4745 k = 0.5413 0.2006 0.3942 ( 9150 PWs) bands (ev): -40.0452 -40.0452 -40.0122 -40.0122 -39.3203 -39.3203 -39.3100 -39.3100 -17.3939 -17.3939 -14.1175 -14.1174 -13.7056 -13.7056 -13.5410 -13.5410 -4.0732 -4.0731 -2.3045 -2.3043 -2.0684 -2.0677 -1.7791 -1.7784 0.7871 0.7878 1.0979 1.0993 1.6710 1.6714 1.7661 1.7682 2.1423 2.1433 2.5907 2.5910 3.6663 3.6664 3.8123 3.8124 9.8699 9.8700 10.1271 10.1275 11.9872 11.9892 13.4950 13.4956 k = 0.5482 0.1881 0.3942 ( 9154 PWs) bands (ev): -40.0449 -40.0449 -40.0124 -40.0124 -39.3204 -39.3204 -39.3099 -39.3099 -17.3943 -17.3943 -14.1165 -14.1165 -13.7061 -13.7061 -13.5408 -13.5408 -4.0737 -4.0736 -2.3040 -2.3038 -2.0756 -2.0748 -1.7860 -1.7853 0.7925 0.7933 1.1068 1.1084 1.6725 1.6729 1.7709 1.7733 2.1429 2.1440 2.6046 2.6049 3.6647 3.6649 3.8066 3.8067 9.8580 9.8582 10.0944 10.0948 12.0148 12.0170 13.5186 13.5193 k = 0.5551 0.1756 0.3942 ( 9160 PWs) bands (ev): -40.0447 -40.0447 -40.0127 -40.0127 -39.3205 -39.3205 -39.3098 -39.3098 -17.3948 -17.3948 -14.1155 -14.1154 -13.7068 -13.7068 -13.5407 -13.5406 -4.0743 -4.0742 -2.3035 -2.3032 -2.0838 -2.0828 -1.7939 -1.7930 0.7987 0.7997 1.1170 1.1188 1.6743 1.6747 1.7761 1.7788 2.1434 2.1446 2.6207 2.6210 3.6629 3.6631 3.8001 3.8003 9.8449 9.8451 10.0584 10.0588 12.0449 12.0474 13.5442 13.5450 k = 0.5620 0.1631 0.3942 ( 9150 PWs) bands (ev): -40.0443 -40.0443 -40.0130 -40.0130 -39.3206 -39.3206 -39.3097 -39.3097 -17.3954 -17.3954 -14.1142 -14.1142 -13.7075 -13.7075 -13.5405 -13.5404 -4.0751 -4.0750 -2.3029 -2.3026 -2.0929 -2.0919 -1.8025 -1.8016 0.8059 0.8069 1.1285 1.1305 1.6763 1.6768 1.7815 1.7845 2.1436 2.1449 2.6388 2.6392 3.6608 3.6610 3.7929 3.7931 9.8308 9.8310 10.0195 10.0200 12.0773 12.0799 13.5713 13.5721 k = 0.5689 0.1506 0.3942 ( 9154 PWs) bands (ev): -40.0440 -40.0440 -40.0134 -40.0134 -39.3208 -39.3208 -39.3096 -39.3096 -17.3960 -17.3960 -14.1129 -14.1128 -13.7082 -13.7082 -13.5402 -13.5402 -4.0761 -4.0760 -2.3021 -2.3018 -2.1029 -2.1018 -1.8119 -1.8108 0.8139 0.8150 1.1412 1.1435 1.6787 1.6792 1.7871 1.7904 2.1436 2.1449 2.6591 2.6595 3.6583 3.6585 3.7851 3.7853 9.8159 9.8161 9.9784 9.9788 12.1113 12.1141 13.5989 13.5999 k = 0.5757 0.1381 0.3942 ( 9152 PWs) bands (ev): -40.0436 -40.0436 -40.0137 -40.0137 -39.3209 -39.3209 -39.3094 -39.3094 -17.3968 -17.3968 -14.1114 -14.1113 -13.7090 -13.7090 -13.5400 -13.5400 -4.0773 -4.0772 -2.3012 -2.3008 -2.1137 -2.1125 -1.8219 -1.8208 0.8228 0.8240 1.1551 1.1576 1.6814 1.6820 1.7927 1.7964 2.1431 2.1446 2.6813 2.6817 3.6555 3.6557 3.7767 3.7770 9.8004 9.8007 9.9354 9.9357 12.1465 12.1495 13.6264 13.6274 k = 0.5826 0.1257 0.3942 ( 9156 PWs) bands (ev): -40.0432 -40.0432 -40.0142 -40.0142 -39.3211 -39.3211 -39.3092 -39.3092 -17.3976 -17.3976 -14.1097 -14.1096 -13.7098 -13.7098 -13.5398 -13.5397 -4.0788 -4.0786 -2.3001 -2.2997 -2.1253 -2.1239 -1.8325 -1.8313 0.8326 0.8339 1.1701 1.1729 1.6845 1.6851 1.7983 1.8022 2.1421 2.1436 2.7054 2.7058 3.6523 3.6525 3.7677 3.7681 9.7846 9.7849 9.8909 9.8913 12.1827 12.1858 13.6530 13.6540 k = 0.5895 0.1132 0.3942 ( 9156 PWs) bands (ev): -40.0427 -40.0427 -40.0146 -40.0146 -39.3213 -39.3213 -39.3091 -39.3091 -17.3984 -17.3984 -14.1079 -14.1078 -13.7106 -13.7106 -13.5395 -13.5395 -4.0806 -4.0804 -2.2989 -2.2985 -2.1375 -2.1360 -1.8437 -1.8424 0.8433 0.8447 1.1863 1.1893 1.6880 1.6886 1.8036 1.8079 2.1405 2.1421 2.7313 2.7318 3.6487 3.6489 3.7584 3.7588 9.7687 9.7690 9.8455 9.8458 12.2194 12.2226 13.6778 13.6788 k = 0.5964 0.1007 0.3942 ( 9148 PWs) bands (ev): -40.0422 -40.0422 -40.0151 -40.0151 -39.3214 -39.3214 -39.3089 -39.3089 -17.3993 -17.3993 -14.1059 -14.1059 -13.7114 -13.7114 -13.5393 -13.5392 -4.0826 -4.0824 -2.2975 -2.2970 -2.1502 -2.1487 -1.8553 -1.8540 0.8549 0.8564 1.2035 1.2068 1.6919 1.6924 1.8087 1.8133 2.1382 2.1398 2.7590 2.7594 3.6446 3.6449 3.7486 3.7491 9.7529 9.7532 9.7994 9.7997 12.2563 12.2596 13.7001 13.7012 k = 0.6033 0.0882 0.3942 ( 9142 PWs) bands (ev): -40.0417 -40.0417 -40.0156 -40.0156 -39.3216 -39.3216 -39.3087 -39.3087 -17.4003 -17.4003 -14.1038 -14.1037 -13.7123 -13.7122 -13.5391 -13.5390 -4.0851 -4.0848 -2.2959 -2.2954 -2.1634 -2.1618 -1.8675 -1.8660 0.8675 0.8691 1.2217 1.2253 1.6961 1.6967 1.8135 1.8185 2.1350 2.1366 2.7881 2.7886 3.6401 3.6403 3.7386 3.7392 9.7373 9.7376 9.7531 9.7532 12.2931 12.2965 13.7195 13.7205 k = 0.6102 0.0757 0.3942 ( 9138 PWs) bands (ev): -40.0412 -40.0412 -40.0161 -40.0161 -39.3218 -39.3218 -39.3085 -39.3085 -17.4014 -17.4014 -14.1015 -14.1015 -13.7130 -13.7130 -13.5388 -13.5388 -4.0879 -4.0876 -2.2940 -2.2936 -2.1769 -2.1752 -1.8800 -1.8785 0.8809 0.8826 1.2408 1.2447 1.7008 1.7014 1.8179 1.8232 2.1310 2.1326 2.8186 2.8191 3.6350 3.6353 3.7284 3.7290 9.7065 9.7067 9.7224 9.7227 12.3295 12.3330 13.7354 13.7363 k = 0.6171 0.0632 0.3942 ( 9138 PWs) bands (ev): -40.0406 -40.0406 -40.0167 -40.0167 -39.3221 -39.3221 -39.3082 -39.3082 -17.4025 -17.4025 -14.0991 -14.0990 -13.7138 -13.7138 -13.5386 -13.5385 -4.0911 -4.0908 -2.2920 -2.2915 -2.1907 -2.1890 -1.8929 -1.8913 0.8953 0.8970 1.2608 1.2650 1.7059 1.7065 1.8219 1.8276 2.1259 2.1275 2.8504 2.8508 3.6294 3.6297 3.7180 3.7188 9.6605 9.6605 9.7079 9.7082 12.3655 12.3690 13.7476 13.7485 k = 0.6239 0.0507 0.3942 ( 9148 PWs) bands (ev): -40.0400 -40.0400 -40.0173 -40.0173 -39.3223 -39.3223 -39.3080 -39.3080 -17.4038 -17.4037 -14.0965 -14.0965 -13.7145 -13.7145 -13.5384 -13.5383 -4.0947 -4.0945 -2.2898 -2.2893 -2.2047 -2.2028 -1.9061 -1.9044 0.9105 0.9122 1.2817 1.2862 1.7115 1.7121 1.8256 1.8316 2.1197 2.1212 2.8831 2.8835 3.6232 3.6235 3.7076 3.7085 9.6149 9.6149 9.6943 9.6946 12.4006 12.4042 13.7563 13.7572 k = 0.6308 0.0382 0.3942 ( 9148 PWs) bands (ev): -40.0393 -40.0393 -40.0179 -40.0179 -39.3225 -39.3225 -39.3077 -39.3077 -17.4050 -17.4050 -14.0938 -14.0937 -13.7151 -13.7151 -13.5382 -13.5381 -4.0988 -4.0986 -2.2874 -2.2868 -2.2186 -2.2167 -1.9196 -1.9179 0.9265 0.9283 1.3032 1.3081 1.7175 1.7181 1.8287 1.8352 2.1124 2.1138 2.9166 2.9170 3.6164 3.6167 3.6973 3.6983 9.5701 9.5701 9.6817 9.6820 12.4349 12.4385 13.7616 13.7624 k = 0.6377 0.0257 0.3942 ( 9150 PWs) bands (ev): -40.0387 -40.0387 -40.0186 -40.0186 -39.3228 -39.3228 -39.3075 -39.3075 -17.4064 -17.4064 -14.0909 -14.0909 -13.7156 -13.7156 -13.5380 -13.5380 -4.1034 -4.1031 -2.2847 -2.2841 -2.2325 -2.2305 -1.9334 -1.9317 0.9434 0.9452 1.3254 1.3307 1.7239 1.7245 1.8315 1.8384 2.1038 2.1052 2.9507 2.9511 3.6090 3.6093 3.6871 3.6882 9.5263 9.5264 9.6701 9.6704 12.4682 12.4717 13.7639 13.7646 k = 0.6446 0.0132 0.3942 ( 9142 PWs) bands (ev): -40.0380 -40.0380 -40.0192 -40.0192 -39.3231 -39.3231 -39.3072 -39.3072 -17.4078 -17.4078 -14.0879 -14.0878 -13.7161 -13.7161 -13.5379 -13.5378 -4.1085 -4.1082 -2.2819 -2.2812 -2.2462 -2.2441 -1.9475 -1.9457 0.9610 0.9629 1.3482 1.3538 1.7308 1.7314 1.8339 1.8412 2.0939 2.0952 2.9852 2.9855 3.6010 3.6012 3.6772 3.6783 9.4837 9.4839 9.6597 9.6600 12.5002 12.5037 13.7637 13.7643 k = 0.6515 0.0007 0.3942 ( 9146 PWs) bands (ev): -40.0373 -40.0373 -40.0199 -40.0199 -39.3233 -39.3233 -39.3069 -39.3069 -17.4092 -17.4092 -14.0847 -14.0846 -13.7164 -13.7164 -13.5378 -13.5377 -4.1140 -4.1137 -2.2789 -2.2782 -2.2596 -2.2574 -1.9618 -1.9599 0.9793 0.9812 1.3714 1.3775 1.7382 1.7388 1.8360 1.8438 2.0828 2.0840 3.0198 3.0201 3.5922 3.5924 3.6675 3.6688 9.4426 9.4429 9.6506 9.6509 12.5311 12.5345 13.7614 13.7620 k = 0.6584-0.0118 0.3942 ( 9150 PWs) bands (ev): -40.0365 -40.0365 -40.0207 -40.0207 -39.3236 -39.3236 -39.3067 -39.3067 -17.4108 -17.4108 -14.0814 -14.0813 -13.7166 -13.7166 -13.5377 -13.5376 -4.1201 -4.1198 -2.2763 -2.2759 -2.2716 -2.2696 -1.9764 -1.9744 0.9983 1.0002 1.3949 1.4015 1.7460 1.7466 1.8378 1.8461 2.0703 2.0714 3.0542 3.0545 3.5827 3.5829 3.6582 3.6596 9.4032 9.4035 9.6428 9.6431 12.5606 12.5640 13.7576 13.7582 k = 0.6653-0.0243 0.3942 ( 9148 PWs) bands (ev): -40.0358 -40.0358 -40.0214 -40.0214 -39.3239 -39.3239 -39.3064 -39.3064 -17.4124 -17.4124 -14.0779 -14.0778 -13.7167 -13.7167 -13.5377 -13.5376 -4.1267 -4.1264 -2.2858 -2.2838 -2.2712 -2.2708 -1.9911 -1.9891 1.0178 1.0198 1.4187 1.4258 1.7543 1.7549 1.8394 1.8482 2.0564 2.0574 3.0884 3.0886 3.5725 3.5727 3.6493 3.6509 9.3655 9.3659 9.6365 9.6367 12.5888 12.5921 13.7527 13.7534 k = 0.6721-0.0368 0.3942 ( 9144 PWs) bands (ev): -40.0350 -40.0350 -40.0222 -40.0222 -39.3242 -39.3242 -39.3061 -39.3061 -17.4140 -17.4140 -14.0743 -14.0741 -13.7167 -13.7166 -13.5377 -13.5376 -4.1338 -4.1334 -2.2978 -2.2956 -2.2677 -2.2672 -2.0060 -2.0039 1.0378 1.0398 1.4425 1.4502 1.7631 1.7636 1.8409 1.8503 2.0413 2.0421 3.1221 3.1222 3.5616 3.5617 3.6410 3.6426 9.3299 9.3303 9.6316 9.6318 12.6157 12.6189 13.7474 13.7480 k = 0.6790-0.0493 0.3942 ( 9138 PWs) bands (ev): -40.0342 -40.0342 -40.0229 -40.0229 -39.3245 -39.3245 -39.3057 -39.3057 -17.4158 -17.4158 -14.0705 -14.0704 -13.7165 -13.7164 -13.5377 -13.5376 -4.1414 -4.1410 -2.3093 -2.3069 -2.2639 -2.2633 -2.0210 -2.0189 1.0582 1.0602 1.4662 1.4745 1.7724 1.7728 1.8424 1.8525 2.0250 2.0255 3.1550 3.1550 3.5499 3.5500 3.6332 3.6350 9.2965 9.2969 9.6282 9.6284 12.6412 12.6444 13.7419 13.7425 k = 0.6859-0.0617 0.3942 ( 9140 PWs) bands (ev): -40.0334 -40.0334 -40.0237 -40.0237 -39.3248 -39.3248 -39.3054 -39.3054 -17.4175 -17.4175 -14.0665 -14.0664 -13.7161 -13.7161 -13.5379 -13.5377 -4.1495 -4.1491 -2.3201 -2.3177 -2.2598 -2.2592 -2.0362 -2.0339 1.0789 1.0808 1.4895 1.4986 1.7821 1.7825 1.8440 1.8549 2.0074 2.0078 3.1869 3.1869 3.5375 3.5375 3.6260 3.6280 9.2653 9.2658 9.6264 9.6265 12.6656 12.6686 13.7366 13.7373 k = 0.6928-0.0742 0.3942 ( 9144 PWs) bands (ev): -40.0326 -40.0326 -40.0246 -40.0246 -39.3251 -39.3251 -39.3051 -39.3051 -17.4194 -17.4194 -14.0624 -14.0623 -13.7156 -13.7156 -13.5380 -13.5379 -4.1580 -4.1577 -2.3303 -2.3278 -2.2556 -2.2549 -2.0514 -2.0490 1.0996 1.1016 1.5123 1.5221 1.7922 1.7925 1.8460 1.8577 1.9889 1.9890 3.2175 3.2177 3.5242 3.5243 3.6195 3.6216 9.2366 9.2372 9.6261 9.6262 12.6887 12.6916 13.7319 13.7327 k = 0.6997-0.0867 0.3942 ( 9138 PWs) bands (ev): -40.0318 -40.0318 -40.0254 -40.0254 -39.3255 -39.3255 -39.3048 -39.3048 -17.4213 -17.4213 -14.0582 -14.0581 -13.7149 -13.7149 -13.5382 -13.5381 -4.1671 -4.1667 -2.3397 -2.3371 -2.2512 -2.2505 -2.0666 -2.0642 1.1204 1.1223 1.5342 1.5447 1.8026 1.8029 1.8486 1.8612 1.9693 1.9695 3.2468 3.2471 3.5101 3.5104 3.6138 3.6159 9.2106 9.2112 9.6274 9.6274 12.7107 12.7134 13.7279 13.7288 k = 0.7066-0.0992 0.3942 ( 9140 PWs) bands (ev): -40.0309 -40.0309 -40.0262 -40.0262 -39.3258 -39.3258 -39.3045 -39.3045 -17.4232 -17.4232 -14.0539 -14.0538 -13.7140 -13.7140 -13.5385 -13.5384 -4.1766 -4.1762 -2.3485 -2.3457 -2.2467 -2.2460 -2.0818 -2.0792 1.1409 1.1428 1.5549 1.5662 1.8133 1.8134 1.8522 1.8657 1.9490 1.9497 3.2745 3.2750 3.4953 3.4958 3.6087 3.6110 9.1872 9.1878 9.6302 9.6302 12.7318 12.7344 13.7249 13.7259 k = 0.2934-0.5324 0.5431 ( 9140 PWs) bands (ev): -40.0309 -40.0309 -40.0262 -40.0262 -39.3258 -39.3258 -39.3045 -39.3045 -17.4232 -17.4232 -14.0539 -14.0538 -13.7140 -13.7140 -13.5385 -13.5384 -4.1766 -4.1762 -2.3485 -2.3457 -2.2467 -2.2460 -2.0818 -2.0792 1.1409 1.1428 1.5549 1.5662 1.8133 1.8134 1.8522 1.8657 1.9490 1.9497 3.2745 3.2750 3.4953 3.4958 3.6087 3.6110 9.1872 9.1878 9.6302 9.6302 12.7318 12.7344 13.7249 13.7259 k = 0.2864-0.5197 0.5431 ( 9140 PWs) bands (ev): -40.0301 -40.0301 -40.0271 -40.0271 -39.3261 -39.3261 -39.3041 -39.3041 -17.4252 -17.4252 -14.0493 -14.0492 -13.7129 -13.7129 -13.5389 -13.5388 -4.1866 -4.1863 -2.3565 -2.3537 -2.2420 -2.2413 -2.0971 -2.0944 1.1613 1.1632 1.5742 1.5863 1.8237 1.8239 1.8570 1.8714 1.9285 1.9298 3.3007 3.3016 3.4795 3.4804 3.6045 3.6068 9.1663 9.1670 9.6345 9.6346 12.7523 12.7547 13.7229 13.7240 k = 0.2794-0.5070 0.5431 ( 9142 PWs) bands (ev): -40.0292 -40.0292 -40.0280 -40.0280 -39.3265 -39.3265 -39.3038 -39.3038 -17.4273 -17.4273 -14.0446 -14.0445 -13.7117 -13.7116 -13.5393 -13.5392 -4.1971 -4.1968 -2.3638 -2.3609 -2.2372 -2.2365 -2.1122 -2.1094 1.1811 1.1829 1.5916 1.6042 1.8323 1.8331 1.8633 1.8788 1.9094 1.9119 3.3247 3.3261 3.4631 3.4645 3.6010 3.6035 9.1485 9.1492 9.6405 9.6406 12.7721 12.7743 13.7220 13.7231 k = 0.2725-0.4943 0.5431 ( 9130 PWs) bands (ev): -40.0288 -40.0288 -40.0283 -40.0283 -39.3268 -39.3268 -39.3034 -39.3034 -17.4294 -17.4294 -14.0398 -14.0397 -13.7102 -13.7102 -13.5398 -13.5397 -4.2080 -4.2076 -2.3704 -2.3674 -2.2323 -2.2317 -2.1271 -2.1242 1.1999 1.2017 1.6065 1.6195 1.8357 1.8376 1.8715 1.8876 1.8960 1.8998 3.3461 3.3484 3.4463 3.4485 3.5984 3.6009 9.1337 9.1345 9.6479 9.6481 12.7913 12.7934 13.7218 13.7230 k = 0.2655-0.4817 0.5431 ( 9130 PWs) bands (ev): -40.0297 -40.0297 -40.0274 -40.0274 -39.3272 -39.3272 -39.3031 -39.3031 -17.4315 -17.4315 -14.0349 -14.0347 -13.7085 -13.7085 -13.5403 -13.5402 -4.2192 -4.2188 -2.3764 -2.3732 -2.2274 -2.2268 -2.1415 -2.1385 1.2175 1.2193 1.6186 1.6318 1.8286 1.8312 1.8820 1.8917 1.8990 1.9010 3.3636 3.3677 3.4296 3.4336 3.5966 3.5992 9.1221 9.1229 9.6569 9.6571 12.8101 12.8120 13.7220 13.7233 k = 0.2585-0.4690 0.5431 ( 9128 PWs) bands (ev): -40.0306 -40.0306 -40.0265 -40.0265 -39.3275 -39.3275 -39.3027 -39.3027 -17.4337 -17.4337 -14.0298 -14.0297 -13.7067 -13.7067 -13.5410 -13.5408 -4.2308 -4.2304 -2.3818 -2.3785 -2.2225 -2.2219 -2.1554 -2.1522 1.2335 1.2353 1.6279 1.6409 1.8127 1.8150 1.8950 1.9000 1.9081 1.9148 3.3737 3.3810 3.4161 3.4233 3.5957 3.5984 9.1137 9.1145 9.6673 9.6675 12.8286 12.8303 13.7217 13.7231 k = 0.2515-0.4563 0.5431 ( 9128 PWs) bands (ev): -40.0315 -40.0315 -40.0256 -40.0256 -39.3279 -39.3279 -39.3024 -39.3024 -17.4359 -17.4359 -14.0246 -14.0245 -13.7046 -13.7046 -13.5417 -13.5415 -4.2426 -4.2422 -2.3868 -2.3833 -2.2176 -2.2170 -2.1686 -2.1652 1.2475 1.2493 1.6342 1.6468 1.7932 1.7951 1.9102 1.9130 1.9226 1.9313 3.3702 3.3778 3.4161 3.4236 3.5957 3.5984 9.1084 9.1092 9.6791 9.6794 12.8469 12.8484 13.7194 13.7210 k = 0.2445-0.4436 0.5431 ( 9132 PWs) bands (ev): -40.0324 -40.0324 -40.0248 -40.0248 -39.3282 -39.3282 -39.3020 -39.3020 -17.4382 -17.4381 -14.0194 -14.0192 -13.7024 -13.7024 -13.5425 -13.5423 -4.2547 -4.2543 -2.3916 -2.3879 -2.2127 -2.2121 -2.1808 -2.1773 1.2592 1.2609 1.6377 1.6497 1.7729 1.7745 1.9268 1.9285 1.9405 1.9499 3.3560 3.3615 3.4264 3.4319 3.5965 3.5992 9.1064 9.1072 9.6922 9.6926 12.8650 12.8664 13.7129 13.7145 k = 0.2375-0.4310 0.5431 ( 9128 PWs) bands (ev): -40.0333 -40.0333 -40.0239 -40.0239 -39.3286 -39.3286 -39.3017 -39.3017 -17.4404 -17.4404 -14.0140 -14.0139 -13.7000 -13.7000 -13.5433 -13.5432 -4.2670 -4.2666 -2.3963 -2.3926 -2.2078 -2.2074 -2.1919 -2.1880 1.2679 1.2696 1.6386 1.6499 1.7532 1.7546 1.9446 1.9455 1.9609 1.9704 3.3374 3.3418 3.4372 3.4415 3.5981 3.6009 9.1076 9.1084 9.7067 9.7070 12.8831 12.8843 13.6985 13.7001 k = 0.2305-0.4183 0.5431 ( 9132 PWs) bands (ev): -40.0342 -40.0342 -40.0230 -40.0230 -39.3290 -39.3290 -39.3014 -39.3014 -17.4427 -17.4427 -14.0086 -14.0084 -13.6974 -13.6974 -13.5442 -13.5441 -4.2795 -4.2791 -2.4012 -2.3974 -2.2035 -2.2033 -2.2010 -2.1965 1.2734 1.2751 1.6372 1.6477 1.7349 1.7362 1.9633 1.9637 1.9833 1.9925 3.3170 3.3207 3.4466 3.4503 3.6006 3.6034 9.1119 9.1127 9.7223 9.7227 12.9012 12.9022 13.6718 13.6732 k = 0.2236-0.4056 0.5431 ( 9136 PWs) bands (ev): -40.0351 -40.0351 -40.0221 -40.0221 -39.3293 -39.3293 -39.3010 -39.3010 -17.4450 -17.4450 -14.0031 -14.0029 -13.6946 -13.6946 -13.5452 -13.5451 -4.2921 -4.2917 -2.4067 -2.4028 -2.2094 -2.2065 -2.1980 -2.1965 1.2750 1.2768 1.6338 1.6435 1.7186 1.7199 1.9828 1.9830 2.0071 2.0158 3.2955 3.2988 3.4542 3.4574 3.6039 3.6066 9.1193 9.1201 9.7391 9.7395 12.9192 12.9200 13.6297 13.6308 k = 0.2166-0.3929 0.5431 ( 9138 PWs) bands (ev): -40.0359 -40.0359 -40.0212 -40.0212 -39.3297 -39.3297 -39.3007 -39.3007 -17.4473 -17.4472 -13.9975 -13.9973 -13.6917 -13.6917 -13.5463 -13.5462 -4.3048 -4.3044 -2.4128 -2.4090 -2.2151 -2.2118 -2.1933 -2.1922 1.2727 1.2744 1.6287 1.6376 1.7048 1.7060 2.0032 2.0032 2.0318 2.0401 3.2732 3.2764 3.4597 3.4627 3.6080 3.6107 9.1297 9.1306 9.7569 9.7574 12.9371 12.9378 13.5724 13.5731 k = 0.2096-0.3803 0.5431 ( 9130 PWs) bands (ev): -40.0368 -40.0368 -40.0204 -40.0204 -39.3300 -39.3300 -39.3003 -39.3003 -17.4495 -17.4495 -13.9918 -13.9917 -13.6886 -13.6886 -13.5475 -13.5473 -4.3176 -4.3172 -2.4199 -2.4161 -2.2186 -2.2153 -2.1886 -2.1876 1.2661 1.2678 1.6221 1.6302 1.6937 1.6949 2.0242 2.0244 2.0573 2.0650 3.2504 3.2534 3.4633 3.4661 3.6128 3.6155 9.1431 9.1439 9.7757 9.7762 12.9548 12.9554 13.5032 13.5035 k = 0.2026-0.3676 0.5431 ( 9138 PWs) bands (ev): -40.0377 -40.0377 -40.0195 -40.0195 -39.3304 -39.3304 -39.3000 -39.3000 -17.4518 -17.4518 -13.9862 -13.9860 -13.6854 -13.6854 -13.5487 -13.5485 -4.3304 -4.3300 -2.4280 -2.4244 -2.2198 -2.2166 -2.1841 -2.1831 1.2554 1.2571 1.6141 1.6216 1.6854 1.6865 2.0461 2.0464 2.0831 2.0903 3.2271 3.2300 3.4650 3.4677 3.6183 3.6209 9.1592 9.1601 9.7954 9.7960 12.9722 12.9727 13.4261 13.4261 k = 0.1956-0.3549 0.5431 ( 9134 PWs) bands (ev): -40.0385 -40.0385 -40.0187 -40.0187 -39.3307 -39.3307 -39.2997 -39.2997 -17.4541 -17.4541 -13.9805 -13.9803 -13.6821 -13.6820 -13.5500 -13.5498 -4.3432 -4.3428 -2.4371 -2.4337 -2.2187 -2.2156 -2.1796 -2.1787 1.2409 1.2426 1.6050 1.6118 1.6797 1.6807 2.0686 2.0689 2.1092 2.1158 3.2035 3.2064 3.4648 3.4675 3.6245 3.6271 9.1780 9.1788 9.8159 9.8165 12.9892 12.9897 13.3440 13.3442 k = 0.1886-0.3422 0.5431 ( 9126 PWs) bands (ev): -40.0394 -40.0394 -40.0178 -40.0178 -39.3310 -39.3310 -39.2993 -39.2993 -17.4564 -17.4564 -13.9747 -13.9746 -13.6786 -13.6786 -13.5513 -13.5512 -4.3559 -4.3556 -2.4473 -2.4441 -2.2152 -2.2124 -2.1753 -2.1744 1.2229 1.2246 1.5948 1.6011 1.6762 1.6772 2.0917 2.0921 2.1353 2.1414 3.1797 3.1825 3.4630 3.4656 3.6314 3.6339 9.1993 9.2001 9.8371 9.8377 13.0057 13.0061 13.2596 13.2599 k = 0.1816-0.3296 0.5431 ( 9126 PWs) bands (ev): -40.0402 -40.0402 -40.0170 -40.0170 -39.3314 -39.3314 -39.2990 -39.2990 -17.4586 -17.4586 -13.9690 -13.9689 -13.6751 -13.6750 -13.5527 -13.5526 -4.3686 -4.3683 -2.4583 -2.4554 -2.2097 -2.2071 -2.1710 -2.1702 1.2021 1.2038 1.5836 1.5894 1.6747 1.6756 2.1153 2.1157 2.1612 2.1669 3.1557 3.1585 3.4596 3.4621 3.6388 3.6412 9.2229 9.2237 9.8588 9.8594 13.0214 13.0218 13.1743 13.1748 k = 0.1747-0.3169 0.5431 ( 9122 PWs) bands (ev): -40.0410 -40.0410 -40.0162 -40.0162 -39.3317 -39.3317 -39.2987 -39.2987 -17.4608 -17.4608 -13.9633 -13.9632 -13.6714 -13.6714 -13.5541 -13.5540 -4.3811 -4.3808 -2.4701 -2.4674 -2.2022 -2.1999 -2.1669 -2.1661 1.1791 1.1807 1.5716 1.5768 1.6746 1.6755 2.1392 2.1396 2.1870 2.1922 3.1317 3.1345 3.4547 3.4573 3.6468 3.6491 9.2487 9.2494 9.8810 9.8816 13.0363 13.0367 13.0893 13.0899 k = 0.1677-0.3042 0.5431 ( 9124 PWs) bands (ev): -40.0418 -40.0418 -40.0155 -40.0155 -39.3320 -39.3320 -39.2984 -39.2984 -17.4630 -17.4630 -13.9576 -13.9575 -13.6677 -13.6677 -13.5556 -13.5555 -4.3935 -4.3932 -2.4824 -2.4799 -2.1931 -2.1910 -2.1630 -2.1621 1.1542 1.1559 1.5587 1.5635 1.6757 1.6765 2.1634 2.1638 2.2124 2.2172 3.1077 3.1106 3.4486 3.4511 3.6553 3.6575 9.2763 9.2770 9.9035 9.9042 13.0054 13.0060 13.0502 13.0506 k = 0.1607-0.2915 0.5431 ( 9124 PWs) bands (ev): -40.0426 -40.0426 -40.0147 -40.0147 -39.3323 -39.3323 -39.2981 -39.2981 -17.4651 -17.4651 -13.9520 -13.9518 -13.6640 -13.6640 -13.5572 -13.5570 -4.4056 -4.4053 -2.4951 -2.4928 -2.1825 -2.1806 -2.1591 -2.1582 1.1282 1.1299 1.5450 1.5495 1.6775 1.6783 2.1877 2.1881 2.2374 2.2418 3.0839 3.0868 3.4413 3.4438 3.6642 3.6663 9.3056 9.3063 9.9262 9.9269 12.9231 12.9238 13.0630 13.0634 k = 0.1537-0.2789 0.5431 ( 9124 PWs) bands (ev): -40.0433 -40.0433 -40.0140 -40.0140 -39.3326 -39.3326 -39.2978 -39.2978 -17.4672 -17.4672 -13.9464 -13.9462 -13.6602 -13.6602 -13.5587 -13.5586 -4.4176 -4.4173 -2.5080 -2.5059 -2.1707 -2.1691 -2.1554 -2.1544 1.1013 1.1030 1.5307 1.5348 1.6798 1.6806 2.2120 2.2123 2.2619 2.2659 3.0603 3.0632 3.4331 3.4356 3.6735 3.6755 9.3365 9.3371 9.9490 9.9497 12.8431 12.8438 13.0746 13.0751 k = 0.1467-0.2662 0.5431 ( 9116 PWs) bands (ev): -40.0440 -40.0440 -40.0132 -40.0132 -39.3329 -39.3329 -39.2975 -39.2975 -17.4693 -17.4693 -13.9408 -13.9407 -13.6564 -13.6564 -13.5603 -13.5602 -4.4292 -4.4290 -2.5210 -2.5191 -2.1579 -2.1569 -2.1517 -2.1503 1.0740 1.0756 1.5159 1.5196 1.6825 1.6833 2.2361 2.2364 2.2859 2.2895 3.0370 3.0399 3.4240 3.4265 3.6831 3.6850 9.3685 9.3691 9.9716 9.9723 12.7656 12.7664 13.0850 13.0855 k = 0.1397-0.2535 0.5431 ( 9126 PWs) bands (ev): -40.0447 -40.0447 -40.0125 -40.0125 -39.3332 -39.3332 -39.2973 -39.2973 -17.4713 -17.4713 -13.9354 -13.9353 -13.6527 -13.6527 -13.5619 -13.5618 -4.4406 -4.4403 -2.5340 -2.5323 -2.1491 -2.1488 -2.1432 -2.1413 1.0466 1.0481 1.5005 1.5040 1.6853 1.6860 2.2600 2.2603 2.3092 2.3125 3.0141 3.0171 3.4142 3.4167 3.6929 3.6947 9.4015 9.4021 9.9940 9.9947 12.6912 12.6919 13.0940 13.0946 k = 0.1327-0.2408 0.5431 ( 9130 PWs) bands (ev): -40.0454 -40.0454 -40.0119 -40.0119 -39.3335 -39.3335 -39.2970 -39.2970 -17.4732 -17.4732 -13.9301 -13.9300 -13.6489 -13.6489 -13.5636 -13.5634 -4.4516 -4.4514 -2.5469 -2.5453 -2.1456 -2.1451 -2.1289 -2.1273 1.0193 1.0208 1.4847 1.4879 1.6881 1.6888 2.2835 2.2837 2.3318 2.3348 2.9917 2.9947 3.4039 3.4064 3.7029 3.7046 9.4353 9.4358 10.0160 10.0167 12.6200 12.6208 13.1019 13.1026 k = 0.1258-0.2282 0.5431 ( 9134 PWs) bands (ev): -40.0461 -40.0461 -40.0112 -40.0112 -39.3338 -39.3338 -39.2968 -39.2968 -17.4751 -17.4751 -13.9249 -13.9247 -13.6452 -13.6452 -13.5652 -13.5651 -4.4623 -4.4621 -2.5595 -2.5581 -2.1425 -2.1419 -2.1137 -2.1123 0.9924 0.9938 1.4686 1.4716 1.6908 1.6916 2.3065 2.3067 2.3537 2.3563 2.9699 2.9730 3.3932 3.3957 3.7130 3.7146 9.4695 9.4700 10.0374 10.0381 12.5525 12.5532 13.1085 13.1093 k = 0.1188-0.2155 0.5431 ( 9140 PWs) bands (ev): -40.0467 -40.0467 -40.0106 -40.0106 -39.3340 -39.3340 -39.2965 -39.2965 -17.4769 -17.4769 -13.9198 -13.9197 -13.6416 -13.6416 -13.5668 -13.5667 -4.4726 -4.4723 -2.5719 -2.5706 -2.1395 -2.1390 -2.0981 -2.0969 0.9660 0.9674 1.4523 1.4551 1.6934 1.6942 2.3289 2.3290 2.3748 2.3771 2.9488 2.9519 3.3822 3.3847 3.7231 3.7246 9.5039 9.5043 10.0581 10.0588 12.4887 12.4895 13.1140 13.1148 k = 0.1118-0.2028 0.5431 ( 9132 PWs) bands (ev): -40.0473 -40.0473 -40.0100 -40.0100 -39.3343 -39.3343 -39.2963 -39.2963 -17.4786 -17.4786 -13.9149 -13.9148 -13.6381 -13.6381 -13.5685 -13.5683 -4.4824 -4.4822 -2.5839 -2.5827 -2.1368 -2.1362 -2.0823 -2.0812 0.9404 0.9418 1.4359 1.4385 1.6959 1.6966 2.3506 2.3506 2.3951 2.3971 2.9285 2.9316 3.3712 3.3737 3.7332 3.7345 9.5382 9.5386 10.0779 10.0786 12.4290 12.4298 13.1185 13.1193 k = 0.1048-0.1901 0.5431 ( 9132 PWs) bands (ev): -40.0479 -40.0479 -40.0095 -40.0095 -39.3345 -39.3345 -39.2961 -39.2961 -17.4803 -17.4803 -13.9102 -13.9100 -13.6346 -13.6346 -13.5700 -13.5699 -4.4918 -4.4916 -2.5954 -2.5944 -2.1342 -2.1337 -2.0663 -2.0654 0.9158 0.9171 1.4196 1.4219 1.6982 1.6989 2.3714 2.3714 2.4144 2.4161 2.9090 2.9121 3.3602 3.3626 3.7431 3.7443 9.5722 9.5726 10.0967 10.0973 12.3735 12.3742 13.1219 13.1228 k = 0.0978-0.1775 0.5431 ( 9128 PWs) bands (ev): -40.0484 -40.0484 -40.0090 -40.0090 -39.3347 -39.3347 -39.2959 -39.2959 -17.4819 -17.4819 -13.9056 -13.9055 -13.6313 -13.6313 -13.5716 -13.5715 -4.5008 -4.5006 -2.6065 -2.6055 -2.1318 -2.1312 -2.0504 -2.0496 0.8921 0.8934 1.4033 1.4055 1.7003 1.7009 2.3913 2.3913 2.4329 2.4343 2.8903 2.8935 3.3493 3.3517 3.7528 3.7540 9.6056 9.6059 10.1143 10.1149 12.3223 12.3230 13.1246 13.1255 k = 0.0908-0.1648 0.5431 ( 9130 PWs) bands (ev): -40.0489 -40.0489 -40.0085 -40.0085 -39.3349 -39.3349 -39.2957 -39.2957 -17.4833 -17.4833 -13.9013 -13.9012 -13.6281 -13.6281 -13.5731 -13.5730 -4.5092 -4.5090 -2.6170 -2.6161 -2.1295 -2.1290 -2.0348 -2.0340 0.8697 0.8708 1.3874 1.3893 1.7022 1.7028 2.4102 2.4103 2.4503 2.4514 2.8727 2.8759 3.3387 3.3410 3.7623 3.7633 9.6381 9.6384 10.1306 10.1312 12.2754 12.2761 13.1264 13.1274 k = 0.0838-0.1521 0.5431 ( 9132 PWs) bands (ev): -40.0494 -40.0494 -40.0080 -40.0080 -39.3351 -39.3351 -39.2955 -39.2955 -17.4847 -17.4847 -13.8972 -13.8971 -13.6251 -13.6251 -13.5746 -13.5745 -4.5171 -4.5169 -2.6269 -2.6261 -2.1274 -2.1269 -2.0195 -2.0188 0.8485 0.8496 1.3718 1.3736 1.7039 1.7045 2.4281 2.4281 2.4667 2.4676 2.8561 2.8593 3.3284 3.3307 3.7713 3.7723 9.6694 9.6697 10.1456 10.1461 12.2330 12.2336 13.1277 13.1286 k = 0.0768-0.1394 0.5431 ( 9138 PWs) bands (ev): -40.0498 -40.0498 -40.0076 -40.0076 -39.3353 -39.3353 -39.2953 -39.2953 -17.4860 -17.4860 -13.8933 -13.8932 -13.6223 -13.6223 -13.5760 -13.5759 -4.5245 -4.5243 -2.6361 -2.6354 -2.1255 -2.1250 -2.0047 -2.0041 0.8286 0.8297 1.3568 1.3584 1.7054 1.7059 2.4447 2.4448 2.4821 2.4827 2.8406 2.8437 3.3187 3.3208 3.7800 3.7808 9.6994 9.6997 10.1591 10.1597 12.1949 12.1955 13.1284 13.1293 k = 0.0699-0.1268 0.5431 ( 9136 PWs) bands (ev): -40.0502 -40.0502 -40.0072 -40.0072 -39.3354 -39.3354 -39.2952 -39.2952 -17.4872 -17.4872 -13.8897 -13.8897 -13.6196 -13.6196 -13.5773 -13.5772 -4.5312 -4.5311 -2.6447 -2.6441 -2.1237 -2.1233 -1.9907 -1.9901 0.8103 0.8112 1.3424 1.3439 1.7067 1.7072 2.4602 2.4603 2.4963 2.4968 2.8263 2.8293 3.3094 3.3114 3.7881 3.7889 9.7277 9.7280 10.1712 10.1717 12.1611 12.1617 13.1287 13.1296 k = 0.0629-0.1141 0.5431 ( 9144 PWs) bands (ev): -40.0506 -40.0506 -40.0068 -40.0068 -39.3356 -39.3356 -39.2951 -39.2951 -17.4883 -17.4883 -13.8864 -13.8864 -13.6172 -13.6171 -13.5785 -13.5785 -4.5374 -4.5373 -2.6526 -2.6521 -2.1221 -2.1217 -1.9774 -1.9769 0.7935 0.7943 1.3290 1.3302 1.7079 1.7083 2.4744 2.4744 2.5094 2.5097 2.8131 2.8161 3.3008 3.3027 3.7957 3.7964 9.7542 9.7544 10.1819 10.1823 12.1315 12.1321 13.1286 13.1295 k = 0.0559-0.1014 0.5431 ( 9144 PWs) bands (ev): -40.0509 -40.0509 -40.0065 -40.0065 -39.3357 -39.3357 -39.2949 -39.2949 -17.4893 -17.4893 -13.8834 -13.8834 -13.6149 -13.6149 -13.5797 -13.5796 -4.5430 -4.5429 -2.6597 -2.6592 -2.1206 -2.1203 -1.9651 -1.9647 0.7782 0.7790 1.3164 1.3176 1.7089 1.7093 2.4872 2.4873 2.5213 2.5214 2.8013 2.8041 3.2929 3.2946 3.8027 3.8033 9.7785 9.7787 10.1911 10.1915 12.1059 12.1064 13.1283 13.1291 k = 0.0489-0.0887 0.5431 ( 9142 PWs) bands (ev): -40.0512 -40.0512 -40.0062 -40.0062 -39.3358 -39.3358 -39.2948 -39.2948 -17.4901 -17.4901 -13.8807 -13.8807 -13.6129 -13.6129 -13.5807 -13.5806 -4.5480 -4.5479 -2.6661 -2.6657 -2.1193 -2.1190 -1.9539 -1.9535 0.7647 0.7654 1.3050 1.3060 1.7098 1.7101 2.4987 2.4987 2.5319 2.5320 2.7907 2.7933 3.2858 3.2873 3.8090 3.8095 9.8005 9.8007 10.1990 10.1993 12.0841 12.0846 13.1278 13.1286 k = 0.0419-0.0761 0.5431 ( 9136 PWs) bands (ev): -40.0515 -40.0515 -40.0060 -40.0060 -39.3359 -39.3359 -39.2947 -39.2947 -17.4909 -17.4909 -13.8784 -13.8783 -13.6112 -13.6112 -13.5816 -13.5816 -4.5523 -4.5523 -2.6716 -2.6713 -2.1182 -2.1180 -1.9439 -1.9436 0.7528 0.7534 1.2948 1.2957 1.7105 1.7108 2.5087 2.5087 2.5412 2.5413 2.7814 2.7839 3.2795 3.2809 3.8146 3.8150 9.8200 9.8202 10.2055 10.2058 12.0659 12.0663 13.1273 13.1279 k = 0.0349-0.0634 0.5431 ( 9138 PWs) bands (ev): -40.0517 -40.0517 -40.0058 -40.0058 -39.3360 -39.3360 -39.2946 -39.2946 -17.4916 -17.4916 -13.8763 -13.8763 -13.6097 -13.6097 -13.5824 -13.5824 -4.5560 -4.5560 -2.6763 -2.6761 -2.1173 -2.1171 -1.9353 -1.9350 0.7427 0.7432 1.2860 1.2867 1.7111 1.7114 2.5172 2.5172 2.5491 2.5493 2.7736 2.7757 3.2741 3.2753 3.8194 3.8197 9.8368 9.8369 10.2108 10.2111 12.0511 12.0514 13.1267 13.1272 k = 0.0279-0.0507 0.5431 ( 9144 PWs) bands (ev): -40.0519 -40.0519 -40.0056 -40.0056 -39.3361 -39.3361 -39.2946 -39.2946 -17.4921 -17.4921 -13.8747 -13.8746 -13.6084 -13.6084 -13.5831 -13.5830 -4.5591 -4.5590 -2.6802 -2.6800 -2.1165 -2.1163 -1.9280 -1.9278 0.7344 0.7348 1.2787 1.2792 1.7116 1.7118 2.5242 2.5243 2.5557 2.5559 2.7671 2.7689 3.2697 3.2706 3.8234 3.8236 9.8508 9.8509 10.2150 10.2152 12.0393 12.0396 13.1261 13.1266 k = 0.0210-0.0380 0.5431 ( 9138 PWs) bands (ev): -40.0520 -40.0520 -40.0055 -40.0055 -39.3362 -39.3362 -39.2945 -39.2945 -17.4925 -17.4925 -13.8733 -13.8733 -13.6074 -13.6074 -13.5836 -13.5836 -4.5614 -4.5614 -2.6833 -2.6831 -2.1159 -2.1158 -1.9223 -1.9222 0.7279 0.7283 1.2728 1.2733 1.7119 1.7121 2.5297 2.5298 2.5609 2.5611 2.7621 2.7635 3.2662 3.2669 3.8265 3.8267 9.8618 9.8619 10.2182 10.2184 12.0304 12.0306 13.1257 13.1260 k = 0.0140-0.0254 0.5431 ( 9132 PWs) bands (ev): -40.0521 -40.0521 -40.0054 -40.0054 -39.3362 -39.3362 -39.2945 -39.2945 -17.4928 -17.4928 -13.8724 -13.8724 -13.6067 -13.6067 -13.5840 -13.5839 -4.5631 -4.5631 -2.6854 -2.6853 -2.1154 -2.1154 -1.9182 -1.9181 0.7233 0.7235 1.2687 1.2689 1.7122 1.7123 2.5337 2.5337 2.5647 2.5649 2.7586 2.7596 3.2637 3.2642 3.8288 3.8289 9.8698 9.8698 10.2204 10.2205 12.0242 12.0244 13.1253 13.1256 k = 0.0070-0.0127 0.5431 ( 9134 PWs) bands (ev): -40.0522 -40.0522 -40.0053 -40.0053 -39.3362 -39.3362 -39.2945 -39.2945 -17.4930 -17.4930 -13.8718 -13.8718 -13.6063 -13.6063 -13.5842 -13.5842 -4.5641 -4.5641 -2.6867 -2.6867 -2.1152 -2.1151 -1.9157 -1.9156 0.7206 0.7207 1.2662 1.2663 1.7124 1.7124 2.5361 2.5361 2.5670 2.5671 2.7566 2.7571 3.2623 3.2625 3.8302 3.8302 9.8746 9.8746 10.2217 10.2218 12.0206 12.0207 13.1251 13.1253 k = 0.0000 0.0000 0.5431 ( 9136 PWs) bands (ev): -40.0522 -40.0522 -40.0053 -40.0053 -39.3362 -39.3362 -39.2945 -39.2945 -17.4930 -17.4930 -13.8716 -13.8716 -13.6062 -13.6062 -13.5843 -13.5843 -4.5645 -4.5645 -2.6871 -2.6871 -2.1151 -2.1151 -1.9148 -1.9148 0.7197 0.7197 1.2654 1.2654 1.7125 1.7125 2.5369 2.5369 2.5678 2.5678 2.7561 2.7561 3.2619 3.2619 3.8306 3.8306 9.8762 9.8762 10.2222 10.2222 12.0194 12.0194 13.1251 13.1251 k = 0.0000 0.0000 0.5431 ( 9136 PWs) bands (ev): -40.0522 -40.0522 -40.0053 -40.0053 -39.3362 -39.3362 -39.2945 -39.2945 -17.4930 -17.4930 -13.8716 -13.8716 -13.6062 -13.6062 -13.5843 -13.5843 -4.5645 -4.5645 -2.6871 -2.6871 -2.1151 -2.1151 -1.9148 -1.9148 0.7197 0.7197 1.2654 1.2654 1.7125 1.7125 2.5369 2.5369 2.5678 2.5678 2.7561 2.7561 3.2619 3.2619 3.8306 3.8306 9.8762 9.8762 10.2222 10.2222 12.0194 12.0194 13.1251 13.1251 k = 0.0128 0.0071 0.5431 ( 9141 PWs) bands (ev): -40.0522 -40.0522 -40.0053 -40.0053 -39.3362 -39.3362 -39.2945 -39.2945 -17.4929 -17.4929 -13.8719 -13.8719 -13.6070 -13.6069 -13.5838 -13.5837 -4.5636 -4.5636 -2.6863 -2.6862 -2.1155 -2.1151 -1.9148 -1.9146 0.7195 0.7197 1.2647 1.2647 1.7124 1.7124 2.5286 2.5401 2.5627 2.5745 2.7572 2.7574 3.2609 3.2612 3.8308 3.8310 9.8765 9.8765 10.2232 10.2233 12.0140 12.0140 13.1320 13.1321 k = 0.0256 0.0141 0.5431 ( 9135 PWs) bands (ev): -40.0521 -40.0521 -40.0053 -40.0053 -39.3362 -39.3362 -39.2945 -39.2945 -17.4925 -17.4925 -13.8728 -13.8728 -13.6090 -13.6088 -13.5823 -13.5822 -4.5611 -4.5610 -2.6837 -2.6834 -2.1163 -2.1156 -1.9146 -1.9142 0.7191 0.7195 1.2626 1.2627 1.7121 1.7123 2.5178 2.5350 2.5625 2.5803 2.7609 2.7612 3.2583 3.2588 3.8313 3.8318 9.8774 9.8776 10.2265 10.2267 11.9981 11.9982 13.1523 13.1524 k = 0.0384 0.0212 0.5431 ( 9132 PWs) bands (ev): -40.0521 -40.0521 -40.0054 -40.0054 -39.3361 -39.3361 -39.2946 -39.2946 -17.4917 -17.4917 -13.8744 -13.8744 -13.6118 -13.6116 -13.5804 -13.5802 -4.5568 -4.5567 -2.6793 -2.6789 -2.1176 -2.1166 -1.9142 -1.9135 0.7185 0.7192 1.2592 1.2594 1.7118 1.7121 2.5052 2.5243 2.5644 2.5843 2.7671 2.7677 3.2539 3.2548 3.8323 3.8330 9.8790 9.8793 10.2320 10.2323 11.9730 11.9731 13.1847 13.1848 k = 0.0512 0.0282 0.5431 ( 9130 PWs) bands (ev): -40.0520 -40.0520 -40.0054 -40.0054 -39.3360 -39.3360 -39.2947 -39.2947 -17.4907 -17.4907 -13.8765 -13.8765 -13.6153 -13.6150 -13.5782 -13.5779 -4.5509 -4.5508 -2.6731 -2.6726 -2.1193 -2.1179 -1.9136 -1.9127 0.7178 0.7186 1.2545 1.2547 1.7115 1.7118 2.4911 2.5109 2.5652 2.5860 2.7762 2.7769 3.2480 3.2491 3.8337 3.8345 9.8813 9.8816 10.2395 10.2399 11.9404 11.9405 13.2273 13.2274 k = 0.0641 0.0353 0.5431 ( 9129 PWs) bands (ev): -40.0520 -40.0520 -40.0055 -40.0055 -39.3358 -39.3358 -39.2948 -39.2948 -17.4894 -17.4894 -13.8793 -13.8793 -13.6190 -13.6187 -13.5759 -13.5756 -4.5433 -4.5432 -2.6653 -2.6647 -2.1213 -2.1196 -1.9127 -1.9117 0.7169 0.7180 1.2484 1.2487 1.7112 1.7116 2.4758 2.4958 2.5641 2.5852 2.7879 2.7888 3.2406 3.2420 3.8354 3.8364 9.8843 9.8847 10.2489 10.2494 11.9020 11.9022 13.2781 13.2782 k = 0.0769 0.0424 0.5431 ( 9126 PWs) bands (ev): -40.0519 -40.0519 -40.0056 -40.0056 -39.3356 -39.3356 -39.2950 -39.2950 -17.4879 -17.4879 -13.8827 -13.8827 -13.6230 -13.6227 -13.5736 -13.5733 -4.5342 -4.5341 -2.6558 -2.6550 -2.1236 -2.1216 -1.9117 -1.9105 0.7159 0.7171 1.2411 1.2414 1.7108 1.7113 2.4591 2.4792 2.5609 2.5819 2.8024 2.8034 3.2317 3.2335 3.8374 3.8386 9.8880 9.8884 10.2599 10.2606 11.8597 11.8598 13.3351 13.3353 k = 0.0897 0.0494 0.5431 ( 9134 PWs) bands (ev): -40.0518 -40.0518 -40.0057 -40.0057 -39.3354 -39.3354 -39.2952 -39.2952 -17.4860 -17.4860 -13.8868 -13.8868 -13.6271 -13.6268 -13.5715 -13.5712 -4.5236 -4.5234 -2.6448 -2.6438 -2.1262 -2.1239 -1.9106 -1.9092 0.7147 0.7162 1.2325 1.2329 1.7106 1.7111 2.4412 2.4613 2.5555 2.5763 2.8193 2.8205 3.2216 3.2237 3.8396 3.8410 9.8924 9.8929 10.2725 10.2732 11.8148 11.8149 13.3963 13.3966 k = 0.1025 0.0565 0.5431 ( 9135 PWs) bands (ev): -40.0516 -40.0516 -40.0058 -40.0058 -39.3352 -39.3352 -39.2955 -39.2955 -17.4840 -17.4840 -13.8915 -13.8915 -13.6312 -13.6309 -13.5694 -13.5691 -4.5115 -4.5113 -2.6322 -2.6311 -2.1289 -2.1263 -1.9092 -1.9077 0.7135 0.7152 1.2227 1.2231 1.7104 1.7110 2.4222 2.4421 2.5481 2.5687 2.8383 2.8397 3.2103 3.2128 3.8419 3.8435 9.8975 9.8981 10.2862 10.2871 11.7686 11.7688 13.4600 13.4604 k = 0.1153 0.0635 0.5431 ( 9135 PWs) bands (ev): -40.0515 -40.0515 -40.0060 -40.0060 -39.3349 -39.3349 -39.2957 -39.2957 -17.4816 -17.4816 -13.8968 -13.8968 -13.6353 -13.6350 -13.5675 -13.5672 -4.4981 -4.4979 -2.6183 -2.6170 -2.1318 -2.1288 -1.9077 -1.9061 0.7123 0.7141 1.2117 1.2122 1.7104 1.7109 2.4020 2.4216 2.5391 2.5592 2.8590 2.8605 3.1982 3.2010 3.8442 3.8460 9.9033 9.9040 10.3007 10.3017 11.7222 11.7223 13.5243 13.5248 k = 0.1281 0.0706 0.5431 ( 9138 PWs) bands (ev): -40.0513 -40.0513 -40.0061 -40.0061 -39.3346 -39.3346 -39.2960 -39.2960 -17.4791 -17.4791 -13.9028 -13.9028 -13.6394 -13.6391 -13.5656 -13.5653 -4.4834 -4.4832 -2.6031 -2.6016 -2.1346 -2.1314 -1.9061 -1.9043 0.7110 0.7130 1.1996 1.2002 1.7104 1.7110 2.3808 2.4001 2.5286 2.5482 2.8809 2.8824 3.1855 3.1888 3.8465 3.8485 9.9099 9.9106 10.3157 10.3169 11.6764 11.6766 13.5875 13.5881 k = 0.1409 0.0777 0.5431 ( 9140 PWs) bands (ev): -40.0512 -40.0512 -40.0063 -40.0063 -39.3343 -39.3343 -39.2963 -39.2963 -17.4763 -17.4763 -13.9094 -13.9094 -13.6434 -13.6431 -13.5639 -13.5636 -4.4675 -4.4673 -2.5867 -2.5851 -2.1374 -2.1338 -1.9043 -1.9024 0.7097 0.7119 1.1865 1.1871 1.7105 1.7112 2.3587 2.3775 2.5169 2.5359 2.9033 2.9047 3.1729 3.1766 3.8488 3.8508 9.9172 9.9180 10.3308 10.3321 11.6322 11.6324 13.6477 13.6484 k = 0.1537 0.0847 0.5431 ( 9142 PWs) bands (ev): -40.0510 -40.0510 -40.0065 -40.0065 -39.3339 -39.3339 -39.2967 -39.2967 -17.4734 -17.4734 -13.9166 -13.9166 -13.6473 -13.6470 -13.5622 -13.5619 -4.4506 -4.4504 -2.5694 -2.5675 -2.1399 -2.1361 -1.9023 -1.9004 0.7085 0.7108 1.1724 1.1731 1.7106 1.7113 2.3357 2.3540 2.5042 2.5226 2.9252 2.9265 3.1611 3.1653 3.8508 3.8530 9.9251 9.9260 10.3455 10.3470 11.5901 11.5904 13.7031 13.7038 k = 0.1665 0.0918 0.5431 ( 9137 PWs) bands (ev): -40.0508 -40.0508 -40.0067 -40.0067 -39.3335 -39.3335 -39.2971 -39.2971 -17.4702 -17.4702 -13.9244 -13.9244 -13.6511 -13.6508 -13.5606 -13.5604 -4.4328 -4.4325 -2.5513 -2.5491 -2.1421 -2.1380 -1.9002 -1.8982 0.7073 0.7098 1.1575 1.1582 1.7107 1.7114 2.3121 2.3299 2.4907 2.5084 2.9450 2.9463 3.1514 3.1562 3.8526 3.8550 9.9337 9.9347 10.3594 10.3610 11.5508 11.5512 13.7518 13.7526 k = 0.1794 0.0989 0.5431 ( 9144 PWs) bands (ev): -40.0506 -40.0506 -40.0069 -40.0069 -39.3331 -39.3331 -39.2975 -39.2975 -17.4669 -17.4669 -13.9327 -13.9327 -13.6548 -13.6545 -13.5591 -13.5588 -4.4141 -4.4139 -2.5326 -2.5302 -2.1439 -2.1395 -1.8979 -1.8958 0.7064 0.7090 1.1418 1.1426 1.7105 1.7114 2.2880 2.3052 2.4766 2.4936 2.9606 2.9621 3.1460 3.1513 3.8541 3.8566 9.9430 9.9440 10.3718 10.3735 11.5151 11.5155 13.7926 13.7933 k = 0.1922 0.1059 0.5431 ( 9150 PWs) bands (ev): -40.0504 -40.0504 -40.0071 -40.0071 -39.3327 -39.3327 -39.2979 -39.2979 -17.4635 -17.4635 -13.9415 -13.9415 -13.6583 -13.6581 -13.5576 -13.5573 -4.3948 -4.3945 -2.5135 -2.5108 -2.1451 -2.1404 -1.8954 -1.8932 0.7055 0.7083 1.1255 1.1263 1.7101 1.7111 2.2636 2.2802 2.4620 2.4783 2.9695 2.9715 3.1472 3.1529 3.8553 3.8579 9.9529 9.9539 10.3822 10.3842 11.4833 11.4839 13.8244 13.8250 k = 0.2050 0.1130 0.5431 ( 9149 PWs) bands (ev): -40.0501 -40.0501 -40.0073 -40.0073 -39.3322 -39.3322 -39.2984 -39.2984 -17.4600 -17.4599 -13.9507 -13.9507 -13.6618 -13.6615 -13.5561 -13.5558 -4.3749 -4.3747 -2.4943 -2.4913 -2.1456 -2.1406 -1.8927 -1.8905 0.7050 0.7078 1.1086 1.1094 1.7093 1.7104 2.2391 2.2552 2.4470 2.4626 2.9700 2.9727 3.1567 3.1625 3.8561 3.8587 9.9633 9.9644 10.3902 10.3923 11.4562 11.4568 13.8471 13.8476 k = 0.2178 0.1200 0.5431 ( 9148 PWs) bands (ev): -40.0499 -40.0499 -40.0076 -40.0076 -39.3317 -39.3317 -39.2989 -39.2989 -17.4563 -17.4563 -13.9603 -13.9603 -13.6651 -13.6649 -13.5545 -13.5543 -4.3547 -4.3544 -2.4752 -2.4719 -2.1451 -2.1399 -1.8897 -1.8874 0.7046 0.7076 1.0912 1.0921 1.7079 1.7091 2.2148 2.2303 2.4318 2.4468 2.9628 2.9660 3.1740 3.1798 3.8564 3.8591 9.9743 9.9755 10.3952 10.3974 11.4342 11.4349 13.8608 13.8613 k = 0.2306 0.1271 0.5431 ( 9156 PWs) bands (ev): -40.0497 -40.0497 -40.0078 -40.0078 -39.3312 -39.3312 -39.2994 -39.2994 -17.4526 -17.4526 -13.9702 -13.9701 -13.6684 -13.6681 -13.5529 -13.5527 -4.3342 -4.3339 -2.4566 -2.4530 -2.1437 -2.1382 -1.8864 -1.8841 0.7047 0.7077 1.0735 1.0745 1.7057 1.7070 2.1910 2.2060 2.4165 2.4309 2.9496 2.9535 3.1971 3.2027 3.8562 3.8590 9.9858 9.9870 10.3967 10.3990 11.4177 11.4185 13.8662 13.8668 k = 0.2434 0.1342 0.5431 ( 9167 PWs) bands (ev): -40.0494 -40.0494 -40.0081 -40.0081 -39.3306 -39.3306 -39.2999 -39.2999 -17.4488 -17.4488 -13.9802 -13.9802 -13.6715 -13.6713 -13.5513 -13.5511 -4.3136 -4.3133 -2.4388 -2.4349 -2.1411 -2.1354 -1.8827 -1.8803 0.7050 0.7082 1.0556 1.0566 1.7026 1.7039 2.1679 2.1824 2.4012 2.4151 2.9326 2.9369 3.2239 3.2293 3.8555 3.8584 9.9977 9.9989 10.3944 10.3969 11.4069 11.4077 13.8641 13.8649 k = 0.2562 0.1412 0.5431 ( 9164 PWs) bands (ev): -40.0492 -40.0492 -40.0083 -40.0083 -39.3301 -39.3301 -39.3004 -39.3004 -17.4450 -17.4450 -13.9905 -13.9904 -13.6746 -13.6744 -13.5496 -13.5494 -4.2931 -4.2928 -2.4219 -2.4178 -2.1372 -2.1314 -1.8786 -1.8762 0.7058 0.7091 1.0377 1.0387 1.6982 1.6997 2.1458 2.1599 2.3859 2.3994 2.9131 2.9177 3.2531 3.2583 3.8543 3.8572 10.0099 10.0112 10.3882 10.3908 11.4019 11.4028 13.8553 13.8564 k = 0.2690 0.1483 0.5431 ( 9160 PWs) bands (ev): -40.0489 -40.0489 -40.0085 -40.0085 -39.3295 -39.3295 -39.3010 -39.3010 -17.4412 -17.4412 -14.0008 -14.0007 -13.6776 -13.6774 -13.5478 -13.5476 -4.2728 -4.2725 -2.4063 -2.4021 -2.1320 -2.1262 -1.8739 -1.8715 0.7071 0.7104 1.0198 1.0209 1.6925 1.6941 2.1251 2.1388 2.3707 2.3839 2.8921 2.8970 3.2836 3.2886 3.8524 3.8554 10.0225 10.0238 10.3780 10.3807 11.4027 11.4036 13.8408 13.8421 k = 0.2818 0.1553 0.5431 ( 9160 PWs) bands (ev): -40.0487 -40.0487 -40.0088 -40.0088 -39.3289 -39.3289 -39.3016 -39.3016 -17.4374 -17.4374 -14.0110 -14.0110 -13.6806 -13.6804 -13.5459 -13.5457 -4.2529 -4.2526 -2.3922 -2.3878 -2.1255 -2.1198 -1.8686 -1.8662 0.7088 0.7121 1.0021 1.0033 1.6853 1.6868 2.1060 2.1193 2.3558 2.3686 2.8702 2.8753 3.3148 3.3196 3.8501 3.8531 10.0354 10.0367 10.3641 10.3668 11.4090 11.4099 13.8212 13.8228 k = 0.2946 0.1624 0.5431 ( 9162 PWs) bands (ev): -40.0484 -40.0484 -40.0090 -40.0090 -39.3283 -39.3283 -39.3022 -39.3022 -17.4336 -17.4336 -14.0212 -14.0212 -13.6836 -13.6834 -13.5439 -13.5437 -4.2335 -4.2332 -2.3795 -2.3752 -2.1178 -2.1123 -1.8627 -1.8603 0.7110 0.7143 0.9849 0.9862 1.6762 1.6778 2.0888 2.1018 2.3411 2.3537 2.8479 2.8532 3.3463 3.3509 3.8471 3.8501 10.0484 10.0497 10.3467 10.3494 11.4204 11.4213 13.7974 13.7991 k = 0.3075 0.1695 0.5431 ( 9162 PWs) bands (ev): -40.0482 -40.0482 -40.0093 -40.0093 -39.3277 -39.3277 -39.3028 -39.3028 -17.4300 -17.4300 -14.0312 -14.0312 -13.6865 -13.6863 -13.5418 -13.5416 -4.2148 -4.2145 -2.3684 -2.3641 -2.1093 -2.1041 -1.8560 -1.8535 0.7137 0.7170 0.9683 0.9697 1.6653 1.6668 2.0736 2.0863 2.3267 2.3392 2.8255 2.8309 3.3776 3.3821 3.8435 3.8466 10.0615 10.0628 10.3262 10.3289 11.4363 11.4372 13.7699 13.7718 k = 0.3203 0.1765 0.5431 ( 9156 PWs) bands (ev): -40.0480 -40.0480 -40.0095 -40.0095 -39.3270 -39.3270 -39.3034 -39.3034 -17.4264 -17.4264 -14.0410 -14.0409 -13.6894 -13.6893 -13.5395 -13.5394 -4.1969 -4.1966 -2.3588 -2.3546 -2.1002 -2.0954 -1.8486 -1.8460 0.7167 0.7201 0.9527 0.9541 1.6525 1.6539 2.0606 2.0731 2.3127 2.3252 2.8035 2.8089 3.4086 3.4129 3.8394 3.8424 10.0745 10.0758 10.3031 10.3058 11.4562 11.4570 13.7394 13.7415 k = 0.3331 0.1836 0.5431 ( 9153 PWs) bands (ev): -40.0477 -40.0477 -40.0098 -40.0098 -39.3264 -39.3264 -39.3040 -39.3040 -17.4230 -17.4230 -14.0504 -14.0504 -13.6923 -13.6922 -13.5372 -13.5371 -4.1799 -4.1796 -2.3505 -2.3465 -2.0909 -2.0865 -1.8403 -1.8378 0.7201 0.7234 0.9382 0.9398 1.6378 1.6391 2.0498 2.0622 2.2992 2.3116 2.7819 2.7874 3.4390 3.4430 3.8347 3.8377 10.0872 10.0886 10.2781 10.2808 11.4796 11.4804 13.7067 13.7089 k = 0.3459 0.1906 0.5431 ( 9159 PWs) bands (ev): -40.0475 -40.0475 -40.0100 -40.0100 -39.3257 -39.3257 -39.3047 -39.3047 -17.4197 -17.4197 -14.0594 -14.0594 -13.6951 -13.6951 -13.5348 -13.5347 -4.1641 -4.1638 -2.3433 -2.3396 -2.0817 -2.0778 -1.8313 -1.8287 0.7236 0.7267 0.9255 0.9271 1.6212 1.6224 2.0412 2.0536 2.2860 2.2985 2.7611 2.7665 3.4686 3.4723 3.8296 3.8325 10.0992 10.1005 10.2519 10.2546 11.5058 11.5065 13.6723 13.6746 k = 0.3587 0.1977 0.5431 ( 9157 PWs) bands (ev): -40.0473 -40.0473 -40.0102 -40.0102 -39.3251 -39.3251 -39.3053 -39.3053 -17.4166 -17.4166 -14.0680 -14.0680 -13.6980 -13.6979 -13.5322 -13.5322 -4.1494 -4.1491 -2.3371 -2.3337 -2.0730 -2.0696 -1.8217 -1.8191 0.7268 0.7298 0.9150 0.9167 1.6030 1.6041 2.0348 2.0472 2.2734 2.2860 2.7413 2.7465 3.4971 3.5005 3.8240 3.8268 10.1094 10.1105 10.2261 10.2286 11.5342 11.5348 13.6369 13.6393 k = 0.3715 0.2048 0.5431 ( 9160 PWs) bands (ev): -40.0471 -40.0471 -40.0104 -40.0104 -39.3244 -39.3244 -39.3059 -39.3059 -17.4137 -17.4137 -14.0760 -14.0760 -13.7008 -13.7008 -13.5296 -13.5296 -4.1361 -4.1358 -2.3317 -2.3285 -2.0650 -2.0620 -1.8116 -1.8090 0.7293 0.7322 0.9073 0.9092 1.5833 1.5844 2.0303 2.0428 2.2613 2.2740 2.7224 2.7275 3.5244 3.5273 3.8181 3.8207 10.1150 10.1158 10.2037 10.2060 11.5644 11.5649 13.6011 13.6035 k = 0.3843 0.2118 0.5431 ( 9164 PWs) bands (ev): -40.0469 -40.0469 -40.0106 -40.0106 -39.3238 -39.3238 -39.3066 -39.3066 -17.4110 -17.4110 -14.0834 -14.0834 -13.7036 -13.7036 -13.5269 -13.5269 -4.1242 -4.1239 -2.3269 -2.3241 -2.0578 -2.0553 -1.8013 -1.7987 0.7307 0.7334 0.9032 0.9052 1.5624 1.5634 2.0276 2.0404 2.2498 2.2626 2.7048 2.7097 3.5501 3.5525 3.8121 3.8144 10.1100 10.1107 10.1909 10.1926 11.5956 11.5960 13.5654 13.5679 k = 0.3971 0.2189 0.5431 ( 9170 PWs) bands (ev): -40.0467 -40.0467 -40.0108 -40.0108 -39.3232 -39.3232 -39.3072 -39.3072 -17.4086 -17.4086 -14.0902 -14.0902 -13.7064 -13.7064 -13.5241 -13.5241 -4.1138 -4.1136 -2.3226 -2.3201 -2.0515 -2.0494 -1.7910 -1.7885 0.7305 0.7330 0.9033 0.9055 1.5406 1.5415 2.0267 2.0397 2.2388 2.2517 2.6886 2.6931 3.5741 3.5757 3.8060 3.8080 10.0910 10.0923 10.1910 10.1923 11.6274 11.6278 13.5306 13.5331 k = 0.4099 0.2259 0.5431 ( 9162 PWs) bands (ev): -40.0466 -40.0466 -40.0109 -40.0109 -39.3226 -39.3226 -39.3078 -39.3078 -17.4064 -17.4064 -14.0963 -14.0963 -13.7092 -13.7091 -13.5212 -13.5212 -4.1051 -4.1048 -2.3188 -2.3165 -2.0462 -2.0444 -1.7811 -1.7788 0.7285 0.7307 0.9081 0.9103 1.5180 1.5189 2.0272 2.0405 2.2285 2.2416 2.6737 2.6779 3.5959 3.5967 3.8003 3.8018 10.0632 10.0648 10.1992 10.2005 11.6592 11.6596 13.4970 13.4996 k = 0.5000 0.2756-0.1489 ( 9132 PWs) bands (ev): -40.0474 -40.0474 -40.0110 -40.0110 -39.3204 -39.3204 -39.3093 -39.3093 -17.4326 -17.4326 -14.0976 -14.0976 -13.7845 -13.7845 -13.3551 -13.3551 -4.1973 -4.1973 -2.2526 -2.2526 -1.9429 -1.9429 -1.6999 -1.6999 0.3280 0.3280 0.9312 0.9312 1.1958 1.1958 2.1581 2.1581 2.3975 2.3975 2.9961 2.9961 3.4041 3.4041 3.7981 3.7981 9.6205 9.6205 10.7229 10.7229 11.6004 11.6004 12.5514 12.5514 k = 0.5070 0.2628-0.1489 ( 9136 PWs) bands (ev): -40.0474 -40.0474 -40.0111 -40.0111 -39.3205 -39.3205 -39.3093 -39.3093 -17.4326 -17.4326 -14.0975 -14.0975 -13.7846 -13.7846 -13.3551 -13.3551 -4.1971 -4.1971 -2.2529 -2.2528 -1.9435 -1.9431 -1.7004 -1.7000 0.3287 0.3288 0.9310 0.9311 1.1966 1.1966 2.1581 2.1583 2.3970 2.3971 2.9971 2.9971 3.4032 3.4033 3.7980 3.7981 9.6207 9.6207 10.7226 10.7227 11.5993 11.5994 12.5554 12.5554 k = 0.5141 0.2500-0.1489 ( 9140 PWs) bands (ev): -40.0474 -40.0474 -40.0111 -40.0111 -39.3205 -39.3205 -39.3092 -39.3092 -17.4327 -17.4327 -14.0973 -14.0973 -13.7847 -13.7847 -13.3552 -13.3552 -4.1965 -4.1965 -2.2537 -2.2534 -1.9451 -1.9443 -1.7016 -1.7008 0.3308 0.3309 0.9303 0.9306 1.1989 1.1991 2.1584 2.1586 2.3956 2.3959 3.0003 3.0003 3.4007 3.4007 3.7977 3.7980 9.6213 9.6213 10.7220 10.7221 11.5959 11.5961 12.5674 12.5675 k = 0.5211 0.2373-0.1489 ( 9144 PWs) bands (ev): -40.0473 -40.0473 -40.0112 -40.0112 -39.3205 -39.3205 -39.3092 -39.3092 -17.4328 -17.4328 -14.0969 -14.0969 -13.7850 -13.7850 -13.3553 -13.3553 -4.1956 -4.1955 -2.2550 -2.2546 -1.9475 -1.9464 -1.7035 -1.7022 0.3342 0.3345 0.9293 0.9298 1.2029 1.2031 2.1587 2.1591 2.3935 2.3939 3.0055 3.0056 3.3964 3.3965 3.7973 3.7978 9.6222 9.6222 10.7209 10.7211 11.5907 11.5910 12.5871 12.5873 k = 0.5281 0.2245-0.1489 ( 9152 PWs) bands (ev): -40.0471 -40.0471 -40.0114 -40.0114 -39.3206 -39.3206 -39.3092 -39.3092 -17.4329 -17.4329 -14.0964 -14.0964 -13.7854 -13.7854 -13.3554 -13.3554 -4.1942 -4.1941 -2.2567 -2.2562 -1.9509 -1.9493 -1.7059 -1.7042 0.3391 0.3394 0.9280 0.9286 1.2085 1.2088 2.1592 2.1597 2.3906 2.3911 3.0127 3.0128 3.3905 3.3906 3.7967 3.7974 9.6235 9.6235 10.7194 10.7196 11.5840 11.5843 12.6142 12.6144 k = 0.5352 0.2117-0.1489 ( 9154 PWs) bands (ev): -40.0469 -40.0469 -40.0116 -40.0116 -39.3206 -39.3206 -39.3091 -39.3091 -17.4332 -17.4332 -14.0957 -14.0957 -13.7859 -13.7859 -13.3556 -13.3556 -4.1925 -4.1924 -2.2589 -2.2583 -1.9551 -1.9532 -1.7089 -1.7068 0.3453 0.3457 0.9264 0.9272 1.2155 1.2159 2.1597 2.1603 2.3870 2.3878 3.0218 3.0219 3.3830 3.3831 3.7960 3.7968 9.6250 9.6250 10.7174 10.7177 11.5763 11.5767 12.6480 12.6483 k = 0.5422 0.1990-0.1489 ( 9156 PWs) bands (ev): -40.0467 -40.0467 -40.0118 -40.0118 -39.3207 -39.3207 -39.3090 -39.3090 -17.4334 -17.4334 -14.0948 -14.0948 -13.7865 -13.7865 -13.3558 -13.3558 -4.1905 -4.1903 -2.2615 -2.2607 -1.9602 -1.9579 -1.7125 -1.7100 0.3529 0.3534 0.9246 0.9255 1.2241 1.2246 2.1602 2.1609 2.3830 2.3838 3.0325 3.0327 3.3740 3.3741 3.7951 3.7961 9.6268 9.6268 10.7150 10.7153 11.5681 11.5685 12.6881 12.6885 k = 0.5493 0.1862-0.1489 ( 9160 PWs) bands (ev): -40.0464 -40.0464 -40.0121 -40.0121 -39.3208 -39.3208 -39.3089 -39.3089 -17.4337 -17.4337 -14.0938 -14.0938 -13.7872 -13.7872 -13.3560 -13.3560 -4.1882 -4.1880 -2.2645 -2.2636 -1.9661 -1.9635 -1.7166 -1.7138 0.3618 0.3624 0.9227 0.9238 1.2342 1.2347 2.1606 2.1613 2.3786 2.3795 3.0448 3.0450 3.3635 3.3636 3.7940 3.7952 9.6288 9.6288 10.7121 10.7125 11.5599 11.5604 12.7340 12.7344 k = 0.5563 0.1734-0.1489 ( 9154 PWs) bands (ev): -40.0461 -40.0461 -40.0124 -40.0124 -39.3209 -39.3209 -39.3088 -39.3088 -17.4341 -17.4341 -14.0926 -14.0926 -13.7879 -13.7879 -13.3563 -13.3563 -4.1857 -4.1855 -2.2678 -2.2668 -1.9728 -1.9699 -1.7212 -1.7181 0.3720 0.3727 0.9207 0.9219 1.2457 1.2462 2.1607 2.1615 2.3739 2.3749 3.0584 3.0587 3.3516 3.3518 3.7928 3.7941 9.6309 9.6309 10.7088 10.7091 11.5523 11.5528 12.7850 12.7855 k = 0.5633 0.1607-0.1489 ( 9160 PWs) bands (ev): -40.0458 -40.0458 -40.0127 -40.0127 -39.3211 -39.3211 -39.3087 -39.3087 -17.4345 -17.4345 -14.0913 -14.0913 -13.7887 -13.7887 -13.3567 -13.3566 -4.1831 -4.1828 -2.2714 -2.2703 -1.9803 -1.9771 -1.7263 -1.7229 0.3835 0.3842 0.9187 0.9201 1.2585 1.2591 2.1605 2.1614 2.3690 2.3701 3.0732 3.0736 3.3385 3.3388 3.7914 3.7929 9.6329 9.6329 10.7049 10.7054 11.5457 11.5462 12.8406 12.8413 k = 0.5704 0.1479-0.1489 ( 9164 PWs) bands (ev): -40.0454 -40.0454 -40.0131 -40.0131 -39.3212 -39.3212 -39.3085 -39.3085 -17.4350 -17.4350 -14.0898 -14.0898 -13.7896 -13.7896 -13.3570 -13.3570 -4.1804 -4.1801 -2.2753 -2.2741 -1.9885 -1.9851 -1.7318 -1.7281 0.3963 0.3970 0.9169 0.9184 1.2726 1.2733 2.1598 2.1607 2.3641 2.3653 3.0890 3.0895 3.3243 3.3246 3.7898 3.7914 9.6349 9.6349 10.7006 10.7011 11.5405 11.5411 12.9005 12.9012 k = 0.5774 0.1351-0.1489 ( 9170 PWs) bands (ev): -40.0450 -40.0450 -40.0135 -40.0135 -39.3213 -39.3213 -39.3084 -39.3084 -17.4355 -17.4355 -14.0882 -14.0881 -13.7905 -13.7904 -13.3574 -13.3574 -4.1776 -4.1773 -2.2794 -2.2781 -1.9974 -1.9938 -1.7377 -1.7338 0.4102 0.4110 0.9153 0.9170 1.2880 1.2886 2.1585 2.1594 2.3593 2.3606 3.1056 3.1062 3.3090 3.3094 3.7879 3.7898 9.6367 9.6367 10.6958 10.6963 11.5372 11.5377 12.9640 12.9649 k = 0.5844 0.1224-0.1489 ( 9170 PWs) bands (ev): -40.0445 -40.0445 -40.0140 -40.0140 -39.3215 -39.3215 -39.3082 -39.3082 -17.4361 -17.4361 -14.0864 -14.0863 -13.7914 -13.7914 -13.3579 -13.3579 -4.1749 -4.1745 -2.2837 -2.2823 -2.0069 -2.0032 -1.7440 -1.7399 0.4253 0.4262 0.9141 0.9158 1.3044 1.3052 2.1565 2.1574 2.3547 2.3560 3.1229 3.1235 3.2929 3.2934 3.7859 3.7879 9.6382 9.6383 10.6904 10.6909 11.5360 11.5365 13.0309 13.0319 k = 0.5915 0.1096-0.1489 ( 9162 PWs) bands (ev): -40.0440 -40.0440 -40.0144 -40.0144 -39.3217 -39.3217 -39.3080 -39.3080 -17.4368 -17.4368 -14.0844 -14.0843 -13.7923 -13.7923 -13.3584 -13.3584 -4.1723 -4.1719 -2.2880 -2.2865 -2.0170 -2.0131 -1.7506 -1.7464 0.4415 0.4424 0.9132 0.9151 1.3220 1.3227 2.1535 2.1544 2.3503 2.3517 3.1406 3.1414 3.2760 3.2766 3.7836 3.7857 9.6394 9.6394 10.6846 10.6851 11.5373 11.5378 13.1005 13.1017 k = 0.5985 0.0968-0.1489 ( 9152 PWs) bands (ev): -40.0435 -40.0435 -40.0150 -40.0150 -39.3219 -39.3219 -39.3078 -39.3078 -17.4375 -17.4375 -14.0822 -14.0822 -13.7932 -13.7932 -13.3590 -13.3589 -4.1699 -4.1695 -2.2924 -2.2908 -2.0277 -2.0236 -1.7576 -1.7532 0.4588 0.4598 0.9129 0.9149 1.3406 1.3413 2.1496 2.1504 2.3463 2.3478 3.1586 3.1596 3.2587 3.2594 3.7810 3.7833 9.6400 9.6400 10.6782 10.6787 11.5412 11.5417 13.1726 13.1740 k = 0.6056 0.0841-0.1489 ( 9148 PWs) bands (ev): -40.0429 -40.0429 -40.0155 -40.0155 -39.3221 -39.3221 -39.3076 -39.3076 -17.4382 -17.4382 -14.0799 -14.0799 -13.7940 -13.7940 -13.3596 -13.3595 -4.1677 -4.1673 -2.2968 -2.2951 -2.0388 -2.0346 -1.7648 -1.7603 0.4771 0.4781 0.9131 0.9152 1.3600 1.3608 2.1445 2.1452 2.3428 2.3443 3.1767 3.1779 3.2410 3.2418 3.7782 3.7807 9.6400 9.6401 10.6713 10.6719 11.5481 11.5485 13.2467 13.2482 k = 0.6126 0.0713-0.1489 ( 9144 PWs) bands (ev): -40.0423 -40.0423 -40.0161 -40.0161 -39.3223 -39.3223 -39.3074 -39.3074 -17.4391 -17.4390 -14.0775 -14.0774 -13.7949 -13.7949 -13.3603 -13.3602 -4.1659 -4.1655 -2.3011 -2.2993 -2.0503 -2.0461 -1.7724 -1.7678 0.4963 0.4973 0.9140 0.9162 1.3803 1.3811 2.1381 2.1388 2.3397 2.3412 3.1943 3.1958 3.2237 3.2244 3.7751 3.7778 9.6394 9.6395 10.6639 10.6645 11.5580 11.5584 13.3223 13.3240 k = 0.6196 0.0585-0.1489 ( 9142 PWs) bands (ev): -40.0416 -40.0416 -40.0168 -40.0168 -39.3225 -39.3225 -39.3072 -39.3072 -17.4399 -17.4399 -14.0749 -14.0748 -13.7956 -13.7956 -13.3610 -13.3609 -4.1646 -4.1642 -2.3053 -2.3034 -2.0621 -2.0578 -1.7802 -1.7755 0.5164 0.5175 0.9158 0.9181 1.4013 1.4021 2.1303 2.1309 2.3371 2.3387 3.2013 3.2034 3.2168 3.2172 3.7717 3.7746 9.6380 9.6381 10.6561 10.6566 11.5711 11.5714 13.3989 13.4008 k = 0.6267 0.0458-0.1489 ( 9140 PWs) bands (ev): -40.0410 -40.0410 -40.0174 -40.0174 -39.3227 -39.3227 -39.3069 -39.3069 -17.4409 -17.4409 -14.0721 -14.0720 -13.7963 -13.7963 -13.3617 -13.3617 -4.1638 -4.1633 -2.3093 -2.3074 -2.0742 -2.0699 -1.7883 -1.7836 0.5373 0.5384 0.9183 0.9207 1.4230 1.4238 2.1210 2.1214 2.3352 2.3368 3.1853 3.1871 3.2326 3.2337 3.7681 3.7711 9.6357 9.6358 10.6477 10.6483 11.5875 11.5877 13.4762 13.4782 k = 0.6337 0.0330-0.1489 ( 9140 PWs) bands (ev): -40.0403 -40.0403 -40.0181 -40.0181 -39.3230 -39.3230 -39.3067 -39.3067 -17.4419 -17.4419 -14.0691 -14.0690 -13.7969 -13.7969 -13.3626 -13.3625 -4.1635 -4.1630 -2.3131 -2.3111 -2.0865 -2.0822 -1.7965 -1.7918 0.5590 0.5601 0.9218 0.9243 1.4453 1.4461 2.1101 2.1103 2.3339 2.3355 3.1679 3.1697 3.2499 3.2512 3.7641 3.7673 9.6326 9.6327 10.6390 10.6395 11.6072 11.6074 13.5535 13.5557 k = 0.6407 0.0202-0.1489 ( 9152 PWs) bands (ev): -40.0396 -40.0396 -40.0188 -40.0188 -39.3232 -39.3232 -39.3064 -39.3064 -17.4430 -17.4430 -14.0660 -14.0659 -13.7974 -13.7974 -13.3635 -13.3634 -4.1639 -4.1634 -2.3165 -2.3145 -2.0989 -2.0946 -1.8050 -1.8003 0.5812 0.5824 0.9264 0.9289 1.4680 1.4688 2.0974 2.0975 2.3332 2.3349 3.1506 3.1527 3.2669 3.2683 3.7599 3.7632 9.6285 9.6287 10.6298 10.6303 11.6302 11.6303 13.6302 13.6326 k = 0.6478 0.0075-0.1489 ( 9154 PWs) bands (ev): -40.0388 -40.0388 -40.0196 -40.0196 -39.3235 -39.3235 -39.3062 -39.3062 -17.4441 -17.4441 -14.0627 -14.0626 -13.7977 -13.7977 -13.3644 -13.3643 -4.1650 -4.1645 -2.3197 -2.3176 -2.1114 -2.1071 -1.8137 -1.8091 0.6040 0.6053 0.9320 0.9345 1.4911 1.4918 2.0830 2.0830 2.3333 2.3350 3.1339 3.1361 3.2833 3.2849 3.7553 3.7589 9.6235 9.6236 10.6203 10.6208 11.6565 11.6566 13.7058 13.7084 k = 0.6548-0.0053-0.1489 ( 9154 PWs) bands (ev): -40.0380 -40.0380 -40.0203 -40.0203 -39.3238 -39.3238 -39.3059 -39.3059 -17.4454 -17.4453 -14.0592 -14.0591 -13.7979 -13.7979 -13.3654 -13.3654 -4.1669 -4.1664 -2.3225 -2.3203 -2.1239 -2.1196 -1.8226 -1.8180 0.6273 0.6285 0.9388 0.9414 1.5144 1.5152 2.0666 2.0668 2.3340 2.3358 3.1179 3.1203 3.2990 3.3007 3.7505 3.7542 9.6174 9.6176 10.6105 10.6109 11.6860 11.6860 13.7728 13.7734 k = 0.6619-0.0181-0.1489 ( 9150 PWs) bands (ev): -40.0372 -40.0372 -40.0211 -40.0211 -39.3240 -39.3240 -39.3056 -39.3056 -17.4466 -17.4466 -14.0556 -14.0555 -13.7979 -13.7979 -13.3665 -13.3664 -4.1697 -4.1691 -2.3249 -2.3226 -2.1364 -2.1321 -1.8316 -1.8270 0.6507 0.6521 0.9470 0.9495 1.5380 1.5388 2.0483 2.0487 2.3356 2.3373 3.1028 3.1054 3.3138 3.3157 3.7455 3.7494 9.6104 9.6107 10.6004 10.6008 11.7184 11.7186 13.7460 13.7464 k = 0.6689-0.0308-0.1489 ( 9142 PWs) bands (ev): -40.0364 -40.0364 -40.0219 -40.0219 -39.3243 -39.3243 -39.3053 -39.3053 -17.4480 -17.4480 -14.0518 -14.0518 -13.7978 -13.7978 -13.3677 -13.3676 -4.1732 -4.1727 -2.3268 -2.3246 -2.1488 -2.1446 -1.8408 -1.8362 0.6743 0.6757 0.9565 0.9591 1.5616 1.5624 2.0283 2.0289 2.3378 2.3397 3.0886 3.0914 3.3277 3.3298 3.7402 3.7442 9.6025 9.6027 10.5901 10.5905 11.7537 11.7540 13.7187 13.7191 k = 0.3311-0.6008-0.0000 ( 9142 PWs) bands (ev): -40.0364 -40.0364 -40.0219 -40.0219 -39.3243 -39.3243 -39.3053 -39.3053 -17.4480 -17.4480 -14.0518 -14.0518 -13.7978 -13.7978 -13.3677 -13.3676 -4.1732 -4.1727 -2.3268 -2.3246 -2.1488 -2.1446 -1.8408 -1.8362 0.6743 0.6757 0.9565 0.9591 1.5616 1.5624 2.0283 2.0289 2.3378 2.3397 3.0886 3.0914 3.3277 3.3298 3.7402 3.7442 9.6025 9.6027 10.5901 10.5905 11.7537 11.7540 13.7187 13.7191 k = 0.3241-0.5880-0.0000 ( 9140 PWs) bands (ev): -40.0356 -40.0356 -40.0228 -40.0228 -39.3246 -39.3246 -39.3050 -39.3050 -17.4494 -17.4494 -14.0479 -14.0478 -13.7975 -13.7974 -13.3689 -13.3688 -4.1777 -4.1772 -2.3283 -2.3260 -2.1610 -2.1569 -1.8500 -1.8455 0.6977 0.6992 0.9676 0.9702 1.5853 1.5861 2.0064 2.0071 2.3409 2.3428 3.0755 3.0785 3.3406 3.3428 3.7347 3.7389 9.5935 9.5938 10.5797 10.5801 11.7917 11.7921 13.6909 13.6912 k = 0.3170-0.5752-0.0000 ( 9138 PWs) bands (ev): -40.0347 -40.0347 -40.0236 -40.0236 -39.3249 -39.3249 -39.3047 -39.3047 -17.4509 -17.4509 -14.0438 -14.0437 -13.7969 -13.7969 -13.3702 -13.3701 -4.1832 -4.1826 -2.3293 -2.3270 -2.1732 -2.1691 -1.8593 -1.8549 0.7208 0.7224 0.9805 0.9829 1.6089 1.6097 1.9827 1.9837 2.3447 2.3466 3.0636 3.0668 3.3523 3.3546 3.7291 3.7334 9.5836 9.5839 10.5693 10.5696 11.8321 11.8325 13.6626 13.6629 k = 0.3100-0.5624-0.0000 ( 9138 PWs) bands (ev): -40.0339 -40.0339 -40.0245 -40.0245 -39.3252 -39.3252 -39.3044 -39.3044 -17.4524 -17.4524 -14.0396 -14.0395 -13.7962 -13.7961 -13.3715 -13.3714 -4.1896 -4.1890 -2.3299 -2.3275 -2.1851 -2.1811 -1.8685 -1.8643 0.7433 0.7449 0.9952 0.9975 1.6323 1.6331 1.9573 1.9585 2.3492 2.3513 3.0529 3.0563 3.3628 3.3652 3.7233 3.7278 9.5728 9.5731 10.5589 10.5591 11.8745 11.8751 13.6338 13.6341 k = 0.3029-0.5496-0.0000 ( 9132 PWs) bands (ev): -40.0330 -40.0330 -40.0254 -40.0254 -39.3255 -39.3255 -39.3041 -39.3041 -17.4540 -17.4540 -14.0352 -14.0351 -13.7952 -13.7952 -13.3730 -13.3729 -4.1969 -4.1963 -2.3299 -2.3275 -2.1969 -2.1930 -1.8777 -1.8736 0.7648 0.7666 1.0120 1.0142 1.6555 1.6563 1.9304 1.9317 2.3545 2.3567 3.0435 3.0471 3.3720 3.3745 3.7174 3.7221 9.5610 9.5614 10.5486 10.5488 11.9186 11.9193 13.6046 13.6048 k = 0.2959-0.5368-0.0000 ( 9134 PWs) bands (ev): -40.0321 -40.0321 -40.0263 -40.0263 -39.3258 -39.3258 -39.3038 -39.3038 -17.4557 -17.4557 -14.0306 -14.0305 -13.7940 -13.7940 -13.3745 -13.3744 -4.2052 -4.2046 -2.3294 -2.3270 -2.2085 -2.2047 -1.8868 -1.8828 0.7852 0.7871 1.0310 1.0330 1.6783 1.6791 1.9021 1.9035 2.3605 2.3628 3.0355 3.0392 3.3798 3.3823 3.7115 3.7163 9.5483 9.5487 10.5384 10.5386 11.9641 11.9649 13.5750 13.5752 k = 0.2888-0.5241-0.0000 ( 9132 PWs) bands (ev): -40.0311 -40.0311 -40.0272 -40.0272 -39.3262 -39.3262 -39.3034 -39.3034 -17.4575 -17.4574 -14.0259 -14.0258 -13.7926 -13.7925 -13.3760 -13.3759 -4.2145 -4.2139 -2.3285 -2.3261 -2.2199 -2.2162 -1.8958 -1.8918 0.8041 0.8062 1.0523 1.0542 1.7007 1.7016 1.8724 1.8740 2.3672 2.3696 3.0289 3.0328 3.3861 3.3887 3.7056 3.7105 9.5347 9.5352 10.5286 10.5287 12.0104 12.0113 13.5450 13.5452 k = 0.2818-0.5113-0.0000 ( 9140 PWs) bands (ev): -40.0302 -40.0302 -40.0281 -40.0281 -39.3265 -39.3265 -39.3031 -39.3031 -17.4592 -17.4592 -14.0211 -14.0210 -13.7909 -13.7909 -13.3777 -13.3776 -4.2246 -4.2241 -2.3271 -2.3247 -2.2312 -2.2276 -1.9044 -1.9006 0.8215 0.8238 1.0759 1.0776 1.7225 1.7235 1.8416 1.8433 2.3746 2.3772 3.0237 3.0277 3.3911 3.3936 3.6997 3.7048 9.5202 9.5206 10.5191 10.5192 12.0571 12.0581 13.5146 13.5148 k = 0.2748-0.4985-0.0000 ( 9152 PWs) bands (ev): -40.0293 -40.0293 -40.0290 -40.0290 -39.3268 -39.3268 -39.3028 -39.3028 -17.4611 -17.4611 -14.0161 -14.0160 -13.7890 -13.7890 -13.3794 -13.3793 -4.2357 -4.2351 -2.3252 -2.3228 -2.2423 -2.2388 -1.9128 -1.9091 0.8372 0.8396 1.1018 1.1034 1.7436 1.7447 1.8101 1.8118 2.3825 2.3853 3.0200 3.0240 3.3945 3.3971 3.6940 3.6991 9.5047 9.5052 10.5101 10.5101 12.1037 12.1049 13.4839 13.4841 k = 0.2677-0.4857-0.0000 ( 9150 PWs) bands (ev): -40.0300 -40.0300 -40.0284 -40.0284 -39.3272 -39.3272 -39.3024 -39.3024 -17.4630 -17.4630 -14.0110 -14.0109 -13.7868 -13.7868 -13.3812 -13.3810 -4.2476 -4.2471 -2.3229 -2.3205 -2.2533 -2.2499 -1.9207 -1.9172 0.8511 0.8536 1.1299 1.1313 1.7621 1.7639 1.7797 1.7809 2.3910 2.3939 3.0176 3.0217 3.3965 3.3990 3.6883 3.6935 9.4882 9.4887 10.5016 10.5017 12.1496 12.1509 13.4528 13.4529 k = 0.2607-0.4729-0.0000 ( 9148 PWs) bands (ev): -40.0309 -40.0309 -40.0274 -40.0274 -39.3275 -39.3275 -39.3021 -39.3021 -17.4649 -17.4649 -14.0058 -14.0057 -13.7844 -13.7844 -13.3830 -13.3829 -4.2603 -4.2598 -2.3202 -2.3177 -2.2642 -2.2609 -1.9282 -1.9248 0.8633 0.8659 1.1597 1.1610 1.7428 1.7451 1.7861 1.7870 2.3999 2.4031 3.0168 3.0208 3.3971 3.3995 3.6828 3.6880 9.4707 9.4712 10.4937 10.4938 12.1944 12.1959 13.4212 13.4213 k = 0.2536-0.4602-0.0000 ( 9146 PWs) bands (ev): -40.0319 -40.0319 -40.0265 -40.0265 -39.3278 -39.3278 -39.3018 -39.3018 -17.4669 -17.4669 -14.0005 -14.0004 -13.7818 -13.7818 -13.3849 -13.3848 -4.2739 -4.2733 -2.3171 -2.3146 -2.2751 -2.2719 -1.9351 -1.9319 0.8738 0.8765 1.1911 1.1922 1.7102 1.7124 1.8050 1.8061 2.4092 2.4126 3.0173 3.0213 3.3964 3.3986 3.6774 3.6826 9.4521 9.4527 10.4866 10.4867 12.2375 12.2391 13.3890 13.3890 k = 0.2466-0.4474-0.0000 ( 9156 PWs) bands (ev): -40.0328 -40.0328 -40.0255 -40.0255 -39.3282 -39.3282 -39.3014 -39.3014 -17.4689 -17.4689 -13.9951 -13.9950 -13.7789 -13.7789 -13.3869 -13.3868 -4.2881 -4.2876 -2.3137 -2.3112 -2.2860 -2.2829 -1.9413 -1.9383 0.8828 0.8855 1.2235 1.2245 1.6776 1.6797 1.8235 1.8247 2.4187 2.4224 3.0192 3.0233 3.3944 3.3965 3.6722 3.6772 9.4323 9.4329 10.4802 10.4804 12.2784 12.2801 13.3560 13.3560 k = 0.2395-0.4346-0.0000 ( 9152 PWs) bands (ev): -40.0338 -40.0338 -40.0246 -40.0246 -39.3285 -39.3285 -39.3011 -39.3011 -17.4710 -17.4710 -13.9896 -13.9894 -13.7758 -13.7758 -13.3889 -13.3888 -4.3030 -4.3025 -2.3101 -2.3074 -2.2969 -2.2938 -1.9468 -1.9440 0.8901 0.8929 1.2561 1.2571 1.6459 1.6479 1.8414 1.8427 2.4283 2.4323 3.0225 3.0265 3.3914 3.3932 3.6670 3.6720 9.4114 9.4120 10.4748 10.4750 12.3167 12.3185 13.3221 13.3221 k = 0.2325-0.4218-0.0000 ( 9154 PWs) bands (ev): -40.0347 -40.0347 -40.0237 -40.0237 -39.3289 -39.3289 -39.3008 -39.3008 -17.4731 -17.4731 -13.9840 -13.9838 -13.7725 -13.7725 -13.3910 -13.3909 -4.3184 -4.3180 -2.3085 -2.3084 -2.3030 -2.3025 -1.9515 -1.9488 0.8960 0.8988 1.2878 1.2888 1.6163 1.6182 1.8585 1.8600 2.4379 2.4422 3.0271 3.0311 3.3874 3.3889 3.6618 3.6667 9.3892 9.3898 10.4703 10.4706 12.3521 12.3540 13.2870 13.2870 k = 0.2254-0.4090-0.0000 ( 9148 PWs) bands (ev): -40.0357 -40.0357 -40.0227 -40.0227 -39.3292 -39.3292 -39.3004 -39.3004 -17.4752 -17.4752 -13.9783 -13.9782 -13.7689 -13.7689 -13.3932 -13.3930 -4.3344 -4.3340 -2.3194 -2.3175 -2.3005 -2.2987 -1.9553 -1.9529 0.9004 0.9032 1.3167 1.3178 1.5908 1.5926 1.8749 1.8765 2.4474 2.4521 3.0331 3.0369 3.3827 3.3839 3.6567 3.6615 9.3656 9.3662 10.4669 10.4673 12.3843 12.3863 13.2506 13.2506 k = 0.2184-0.3962-0.0000 ( 9150 PWs) bands (ev): -40.0366 -40.0366 -40.0218 -40.0218 -39.3295 -39.3295 -39.3001 -39.3001 -17.4774 -17.4774 -13.9725 -13.9724 -13.7652 -13.7652 -13.3954 -13.3952 -4.3509 -4.3504 -2.3308 -2.3288 -2.2961 -2.2941 -1.9583 -1.9560 0.9034 0.9062 1.3394 1.3406 1.5727 1.5742 1.8905 1.8923 2.4566 2.4616 3.0403 3.0440 3.3774 3.3783 3.6516 3.6562 9.3406 9.3413 10.4647 10.4651 12.4133 12.4153 13.2126 13.2126 k = 0.2113-0.3835-0.0000 ( 9152 PWs) bands (ev): -40.0376 -40.0376 -40.0209 -40.0209 -39.3299 -39.3299 -39.2998 -39.2998 -17.4796 -17.4795 -13.9667 -13.9666 -13.7613 -13.7612 -13.3976 -13.3975 -4.3677 -4.3673 -2.3424 -2.3405 -2.2913 -2.2893 -1.9602 -1.9581 0.9051 0.9078 1.3512 1.3527 1.5668 1.5679 1.9054 1.9073 2.4653 2.4707 3.0486 3.0523 3.3717 3.3722 3.6463 3.6508 9.3142 9.3149 10.4637 10.4641 12.4393 12.4413 13.1728 13.1729 k = 0.2043-0.3707-0.0000 ( 9156 PWs) bands (ev): -40.0385 -40.0385 -40.0200 -40.0200 -39.3302 -39.3302 -39.2994 -39.2994 -17.4817 -17.4817 -13.9609 -13.9608 -13.7572 -13.7571 -13.3999 -13.3998 -4.3849 -4.3845 -2.3542 -2.3524 -2.2862 -2.2843 -1.9612 -1.9593 0.9054 0.9081 1.3488 1.3506 1.5762 1.5770 1.9195 1.9215 2.4735 2.4792 3.0581 3.0616 3.3658 3.3660 3.6410 3.6453 9.2863 9.2869 10.4639 10.4644 12.4623 12.4644 13.1311 13.1311 k = 0.1973-0.3579-0.0000 ( 9154 PWs) bands (ev): -40.0394 -40.0394 -40.0191 -40.0191 -39.3305 -39.3305 -39.2991 -39.2991 -17.4839 -17.4839 -13.9550 -13.9549 -13.7529 -13.7529 -13.4022 -13.4021 -4.4023 -4.4019 -2.3662 -2.3646 -2.2811 -2.2791 -1.9611 -1.9594 0.9043 0.9070 1.3341 1.3359 1.5994 1.5999 1.9329 1.9351 2.4809 2.4870 3.0686 3.0720 3.3597 3.3599 3.6355 3.6397 9.2569 9.2575 10.4656 10.4661 12.4829 12.4850 13.0872 13.0873 k = 0.1902-0.3451-0.0000 ( 9147 PWs) bands (ev): -40.0403 -40.0403 -40.0182 -40.0182 -39.3308 -39.3308 -39.2988 -39.2988 -17.4861 -17.4861 -13.9491 -13.9490 -13.7485 -13.7485 -13.4046 -13.4045 -4.4199 -4.4195 -2.3784 -2.3770 -2.2757 -2.2738 -1.9601 -1.9586 0.9019 0.9046 1.3114 1.3133 1.6317 1.6321 1.9455 1.9479 2.4873 2.4939 3.0800 3.0834 3.3536 3.3542 3.6299 3.6339 9.2259 9.2265 10.4687 10.4692 12.5016 12.5036 13.0412 13.0412 k = 0.1832-0.3323-0.0000 ( 9143 PWs) bands (ev): -40.0412 -40.0412 -40.0173 -40.0173 -39.3311 -39.3311 -39.2985 -39.2985 -17.4882 -17.4882 -13.9432 -13.9431 -13.7440 -13.7440 -13.4070 -13.4069 -4.4376 -4.4372 -2.3908 -2.3895 -2.2703 -2.2684 -1.9581 -1.9567 0.8983 0.9009 1.2846 1.2864 1.6694 1.6698 1.9575 1.9601 2.4928 2.4997 3.0924 3.0955 3.3479 3.3488 3.6241 3.6279 9.1934 9.1941 10.4733 10.4738 12.5188 12.5208 12.9928 12.9928 k = 0.1761-0.3196-0.0000 ( 9141 PWs) bands (ev): -40.0421 -40.0421 -40.0165 -40.0165 -39.3314 -39.3314 -39.2982 -39.2982 -17.4904 -17.4904 -13.9374 -13.9372 -13.7394 -13.7394 -13.4094 -13.4093 -4.4553 -4.4549 -2.4034 -2.4022 -2.2648 -2.2629 -1.9552 -1.9540 0.8933 0.8959 1.2559 1.2576 1.7105 1.7108 1.9689 1.9716 2.4971 2.5043 3.1054 3.1085 3.3427 3.3440 3.6183 3.6219 9.1595 9.1602 10.4794 10.4799 12.5351 12.5371 12.9422 12.9422 k = 0.1691-0.3068-0.0000 ( 9145 PWs) bands (ev): -40.0429 -40.0429 -40.0157 -40.0157 -39.3317 -39.3317 -39.2979 -39.2979 -17.4925 -17.4925 -13.9315 -13.9314 -13.7347 -13.7347 -13.4118 -13.4117 -4.4729 -4.4726 -2.4161 -2.4150 -2.2592 -2.2574 -1.9514 -1.9503 0.8870 0.8896 1.2265 1.2281 1.7535 1.7538 1.9796 1.9824 2.5002 2.5077 3.1192 3.1221 3.3381 3.3397 3.6122 3.6157 9.1243 9.1249 10.4871 10.4877 12.5512 12.5531 12.8894 12.8894 k = 0.1620-0.2940-0.0000 ( 9157 PWs) bands (ev): -40.0437 -40.0437 -40.0148 -40.0148 -39.3320 -39.3320 -39.2976 -39.2976 -17.4946 -17.4946 -13.9257 -13.9256 -13.7299 -13.7299 -13.4142 -13.4141 -4.4905 -4.4902 -2.4288 -2.4278 -2.2536 -2.2519 -1.9467 -1.9458 0.8794 0.8820 1.1973 1.1988 1.7977 1.7980 1.9897 1.9926 2.5020 2.5098 3.1334 3.1362 3.3343 3.3362 3.6061 3.6094 9.0877 9.0883 10.4965 10.4971 12.5674 12.5693 12.8345 12.8346 k = 0.1550-0.2812-0.0000 ( 9155 PWs) bands (ev): -40.0446 -40.0446 -40.0141 -40.0141 -39.3323 -39.3323 -39.2973 -39.2973 -17.4967 -17.4967 -13.9200 -13.9199 -13.7251 -13.7251 -13.4167 -13.4165 -4.5079 -4.5076 -2.4416 -2.4407 -2.2481 -2.2464 -1.9413 -1.9405 0.8706 0.8731 1.1689 1.1702 1.8425 1.8429 1.9992 2.0022 2.5025 2.5105 3.1481 3.1508 3.3312 3.3334 3.5999 3.6030 9.0501 9.0506 10.5076 10.5082 12.5844 12.5862 12.7777 12.7778 k = 0.1479-0.2684-0.0000 ( 9157 PWs) bands (ev): -40.0453 -40.0453 -40.0133 -40.0133 -39.3326 -39.3326 -39.2971 -39.2971 -17.4988 -17.4988 -13.9143 -13.9142 -13.7203 -13.7203 -13.4191 -13.4190 -4.5250 -4.5247 -2.4543 -2.4535 -2.2425 -2.2409 -1.9352 -1.9345 0.8604 0.8630 1.1415 1.1426 1.8876 1.8880 2.0082 2.0112 2.5017 2.5099 3.1632 3.1656 3.3289 3.3313 3.5938 3.5967 9.0115 9.0120 10.5204 10.5210 12.6025 12.6042 12.7192 12.7193 k = 0.1409-0.2556-0.0000 ( 9155 PWs) bands (ev): -40.0461 -40.0461 -40.0126 -40.0126 -39.3329 -39.3329 -39.2968 -39.2968 -17.5008 -17.5007 -13.9088 -13.9086 -13.7155 -13.7155 -13.4215 -13.4214 -4.5418 -4.5415 -2.4669 -2.4662 -2.2370 -2.2354 -1.9284 -1.9278 0.8490 0.8516 1.1155 1.1164 1.9325 1.9331 2.0167 2.0197 2.4996 2.5080 3.1784 3.1807 3.3275 3.3301 3.5876 3.5904 8.9721 8.9725 10.5350 10.5356 12.6220 12.6237 12.6592 12.6593 k = 0.1339-0.2429-0.0000 ( 9153 PWs) bands (ev): -40.0468 -40.0468 -40.0118 -40.0118 -39.3331 -39.3331 -39.2965 -39.2965 -17.5027 -17.5027 -13.9033 -13.9032 -13.7107 -13.7107 -13.4239 -13.4238 -4.5582 -4.5579 -2.4793 -2.4788 -2.2316 -2.2301 -1.9212 -1.9207 0.8365 0.8390 1.0910 1.0918 1.9766 1.9777 2.0253 2.0278 2.4963 2.5048 3.1937 3.1959 3.3268 3.3295 3.5816 3.5842 8.9321 8.9326 10.5513 10.5519 12.5978 12.5979 12.6434 12.6449 k = 0.1268-0.2301-0.0000 ( 9157 PWs) bands (ev): -40.0475 -40.0475 -40.0112 -40.0112 -39.3334 -39.3334 -39.2963 -39.2963 -17.5046 -17.5046 -13.8980 -13.8979 -13.7060 -13.7060 -13.4262 -13.4261 -4.5742 -4.5739 -2.4916 -2.4911 -2.2263 -2.2248 -1.9135 -1.9131 0.8228 0.8253 1.0683 1.0690 2.0161 2.0199 2.0374 2.0374 2.4920 2.5005 3.2089 3.2111 3.3268 3.3297 3.5757 3.5781 8.8918 8.8922 10.5694 10.5700 12.5355 12.5356 12.6665 12.6679 k = 0.1198-0.2173-0.0000 ( 9147 PWs) bands (ev): -40.0482 -40.0482 -40.0105 -40.0105 -39.3336 -39.3336 -39.2961 -39.2961 -17.5064 -17.5064 -13.8928 -13.8927 -13.7014 -13.7014 -13.4285 -13.4284 -4.5896 -4.5894 -2.5035 -2.5031 -2.2211 -2.2197 -1.9055 -1.9052 0.8081 0.8106 1.0474 1.0479 2.0337 2.0389 2.0687 2.0702 2.4868 2.4952 3.2241 3.2261 3.3274 3.3303 3.5700 3.5723 8.8514 8.8519 10.5892 10.5898 12.4724 12.4725 12.6916 12.6930 k = 0.1127-0.2045-0.0000 ( 9149 PWs) bands (ev): -40.0489 -40.0489 -40.0099 -40.0099 -39.3339 -39.3339 -39.2958 -39.2958 -17.5081 -17.5081 -13.8878 -13.8877 -13.6969 -13.6969 -13.4307 -13.4306 -4.6045 -4.6043 -2.5152 -2.5148 -2.2161 -2.2147 -1.8972 -1.8970 0.7927 0.7951 1.0284 1.0287 2.0412 2.0459 2.1105 2.1115 2.4807 2.4891 3.2389 3.2408 3.3286 3.3315 3.5647 3.5668 8.8113 8.8117 10.6108 10.6114 12.4088 12.4089 12.7189 12.7202 k = 0.1057-0.1917-0.0000 ( 9151 PWs) bands (ev): -40.0495 -40.0495 -40.0093 -40.0093 -39.3341 -39.3341 -39.2956 -39.2956 -17.5098 -17.5098 -13.8830 -13.8829 -13.6925 -13.6925 -13.4329 -13.4328 -4.6188 -4.6187 -2.5264 -2.5261 -2.2112 -2.2099 -1.8889 -1.8886 0.7767 0.7790 1.0110 1.0113 2.0472 2.0516 2.1519 2.1527 2.4740 2.4822 3.2534 3.2552 3.3301 3.3330 3.5596 3.5616 8.7716 8.7720 10.6341 10.6347 12.3449 12.3450 12.7482 12.7494 k = 0.0986-0.1789-0.0000 ( 9159 PWs) bands (ev): -40.0501 -40.0501 -40.0087 -40.0087 -39.3343 -39.3343 -39.2954 -39.2954 -17.5114 -17.5114 -13.8783 -13.8782 -13.6883 -13.6883 -13.4350 -13.4349 -4.6325 -4.6323 -2.5372 -2.5369 -2.2065 -2.2053 -1.8804 -1.8803 0.7604 0.7627 0.9954 0.9955 2.0524 2.0567 2.1921 2.1927 2.4669 2.4748 3.2674 3.2691 3.3318 3.3348 3.5550 3.5568 8.7327 8.7330 10.6590 10.6596 12.2811 12.2812 12.7796 12.7807 k = 0.0916-0.1662-0.0000 ( 9151 PWs) bands (ev): -40.0506 -40.0506 -40.0082 -40.0082 -39.3345 -39.3345 -39.2952 -39.2952 -17.5129 -17.5129 -13.8739 -13.8738 -13.6842 -13.6842 -13.4370 -13.4369 -4.6454 -4.6452 -2.5475 -2.5472 -2.2020 -2.2009 -1.8720 -1.8719 0.7441 0.7462 0.9813 0.9814 2.0570 2.0612 2.2307 2.2313 2.4596 2.4671 3.2809 3.2825 3.3338 3.3366 3.5508 3.5525 8.6948 8.6951 10.6856 10.6861 12.2175 12.2176 12.8129 12.8140 k = 0.0845-0.1534-0.0000 ( 9141 PWs) bands (ev): -40.0511 -40.0511 -40.0077 -40.0077 -39.3346 -39.3346 -39.2951 -39.2951 -17.5143 -17.5143 -13.8698 -13.8697 -13.6804 -13.6804 -13.4390 -13.4389 -4.6575 -4.6574 -2.5572 -2.5570 -2.1978 -2.1968 -1.8638 -1.8637 0.7280 0.7300 0.9687 0.9687 2.0610 2.0651 2.2674 2.2681 2.4521 2.4593 3.2936 3.2951 3.3357 3.3385 3.5471 3.5486 8.6583 8.6586 10.7136 10.7141 12.1546 12.1547 12.8480 12.8490 k = 0.0775-0.1406-0.0000 ( 9143 PWs) bands (ev): -40.0516 -40.0516 -40.0073 -40.0073 -39.3348 -39.3348 -39.2949 -39.2949 -17.5157 -17.5157 -13.8659 -13.8658 -13.6768 -13.6768 -13.4408 -13.4407 -4.6689 -4.6688 -2.5663 -2.5662 -2.1938 -2.1928 -1.8558 -1.8558 0.7123 0.7142 0.9573 0.9574 2.0646 2.0685 2.3022 2.3030 2.4448 2.4514 3.3056 3.3070 3.3377 3.3404 3.5439 3.5453 8.6235 8.6237 10.7429 10.7434 12.0925 12.0926 12.8847 12.8856 k = 0.0704-0.1278-0.0000 ( 9145 PWs) bands (ev): -40.0520 -40.0520 -40.0068 -40.0068 -39.3350 -39.3350 -39.2948 -39.2948 -17.5169 -17.5169 -13.8622 -13.8622 -13.6734 -13.6734 -13.4425 -13.4424 -4.6794 -4.6793 -2.5748 -2.5747 -2.1901 -2.1892 -1.8482 -1.8482 0.6974 0.6991 0.9472 0.9473 2.0677 2.0714 2.3346 2.3356 2.4378 2.4438 3.3166 3.3180 3.3397 3.3422 3.5411 3.5424 8.5906 8.5908 10.7733 10.7738 12.0316 12.0317 12.9226 12.9234 k = 0.0634-0.1150-0.0000 ( 9139 PWs) bands (ev): -40.0524 -40.0524 -40.0065 -40.0065 -39.3351 -39.3351 -39.2946 -39.2946 -17.5180 -17.5180 -13.8589 -13.8588 -13.6703 -13.6702 -13.4440 -13.4440 -4.6890 -4.6889 -2.5826 -2.5825 -2.1866 -2.1858 -1.8410 -1.8410 0.6833 0.6849 0.9383 0.9384 2.0704 2.0738 2.3643 2.3657 2.4315 2.4365 3.3264 3.3278 3.3417 3.3442 3.5389 3.5400 8.5599 8.5600 10.8047 10.8051 11.9724 11.9725 12.9614 12.9621 k = 0.0564-0.1023-0.0000 ( 9131 PWs) bands (ev): -40.0528 -40.0528 -40.0061 -40.0061 -39.3352 -39.3352 -39.2945 -39.2945 -17.5190 -17.5190 -13.8558 -13.8558 -13.6674 -13.6674 -13.4455 -13.4454 -4.6977 -4.6976 -2.5897 -2.5896 -2.1835 -2.1828 -1.8343 -1.8343 0.6703 0.6718 0.9304 0.9305 2.0726 2.0758 2.3905 2.3930 2.4265 2.4299 3.3346 3.3358 3.3445 3.3466 3.5371 3.5381 8.5316 8.5318 10.8366 10.8370 11.9152 11.9153 13.0006 13.0013 k = 0.0493-0.0895-0.0000 ( 9123 PWs) bands (ev): -40.0531 -40.0531 -40.0058 -40.0058 -39.3353 -39.3353 -39.2944 -39.2944 -17.5199 -17.5199 -13.8531 -13.8531 -13.6649 -13.6649 -13.4468 -13.4467 -4.7055 -4.7054 -2.5961 -2.5960 -2.1807 -2.1801 -1.8282 -1.8282 0.6586 0.6598 0.9236 0.9237 2.0745 2.0774 2.4081 2.4149 2.4266 2.4281 3.3400 3.3403 3.3494 3.3505 3.5358 3.5367 8.5060 8.5062 10.8687 10.8691 11.8606 11.8607 13.0397 13.0402 k = 0.0423-0.0767-0.0000 ( 9131 PWs) bands (ev): -40.0534 -40.0534 -40.0055 -40.0055 -39.3354 -39.3354 -39.2943 -39.2943 -17.5207 -17.5207 -13.8507 -13.8507 -13.6626 -13.6626 -13.4479 -13.4478 -4.7122 -4.7122 -2.6016 -2.6016 -2.1782 -2.1777 -1.8228 -1.8228 0.6482 0.6493 0.9177 0.9178 2.0761 2.0787 2.4094 2.4156 2.4420 2.4436 3.3422 3.3427 3.3557 3.3560 3.5348 3.5355 8.4834 8.4835 10.9003 10.9006 11.8093 11.8093 13.0778 13.0782 k = 0.0352-0.0639-0.0000 ( 9133 PWs) bands (ev): -40.0536 -40.0536 -40.0053 -40.0053 -39.3355 -39.3355 -39.2942 -39.2942 -17.5214 -17.5214 -13.8487 -13.8487 -13.6607 -13.6607 -13.4489 -13.4488 -4.7180 -4.7179 -2.6064 -2.6063 -2.1761 -2.1757 -1.8181 -1.8181 0.6392 0.6401 0.9128 0.9129 2.0774 2.0796 2.4063 2.4111 2.4603 2.4612 3.3433 3.3439 3.3616 3.3616 3.5341 3.5347 8.4639 8.4640 10.9306 10.9309 11.7622 11.7622 13.1139 13.1143 k = 0.0282-0.0511-0.0000 ( 9135 PWs) bands (ev): -40.0538 -40.0538 -40.0051 -40.0051 -39.3356 -39.3356 -39.2941 -39.2941 -17.5219 -17.5219 -13.8470 -13.8470 -13.6591 -13.6591 -13.4497 -13.4496 -4.7227 -4.7227 -2.6103 -2.6102 -2.1743 -2.1740 -1.8141 -1.8141 0.6318 0.6325 0.9088 0.9089 2.0784 2.0802 2.4032 2.4069 2.4758 2.4763 3.3440 3.3446 3.3665 3.3666 3.5336 3.5341 8.4477 8.4478 10.9587 10.9589 11.7203 11.7203 13.1469 13.1472 k = 0.0211-0.0383-0.0000 ( 9139 PWs) bands (ev): -40.0539 -40.0539 -40.0050 -40.0050 -39.3356 -39.3356 -39.2941 -39.2941 -17.5223 -17.5223 -13.8457 -13.8457 -13.6579 -13.6579 -13.4503 -13.4503 -4.7265 -4.7264 -2.6133 -2.6133 -2.1730 -2.1727 -1.8110 -1.8110 0.6260 0.6265 0.9057 0.9058 2.0793 2.0806 2.4007 2.4035 2.4880 2.4883 3.3444 3.3449 3.3705 3.3706 3.5334 3.5337 8.4349 8.4350 10.9831 10.9833 11.6851 11.6851 13.1752 13.1754 k = 0.0141-0.0256-0.0000 ( 9145 PWs) bands (ev): -40.0540 -40.0540 -40.0049 -40.0049 -39.3357 -39.3357 -39.2941 -39.2941 -17.5227 -17.5227 -13.8447 -13.8447 -13.6570 -13.6570 -13.4508 -13.4507 -4.7291 -4.7291 -2.6155 -2.6155 -2.1719 -2.1718 -1.8088 -1.8088 0.6218 0.6222 0.9035 0.9036 2.0799 2.0808 2.3990 2.4009 2.4968 2.4970 3.3448 3.3451 3.3733 3.3734 3.5332 3.5335 8.4257 8.4258 11.0023 11.0024 11.6581 11.6582 13.1972 13.1973 k = 0.0070-0.0128-0.0000 ( 9145 PWs) bands (ev): -40.0541 -40.0541 -40.0048 -40.0048 -39.3357 -39.3357 -39.2940 -39.2940 -17.5228 -17.5228 -13.8442 -13.8442 -13.6564 -13.6564 -13.4510 -13.4510 -4.7307 -4.7307 -2.6168 -2.6168 -2.1713 -2.1712 -1.8074 -1.8074 0.6194 0.6195 0.9022 0.9022 2.0804 2.0808 2.3982 2.3991 2.5022 2.5023 3.3450 3.3451 3.3751 3.3751 3.5332 3.5333 8.4202 8.4202 11.0147 11.0148 11.6411 11.6411 13.2112 13.2113 k = 0.0000 0.0000 0.0000 ( 9151 PWs) bands (ev): -40.0541 -40.0541 -40.0048 -40.0048 -39.3357 -39.3357 -39.2940 -39.2940 -17.5229 -17.5229 -13.8440 -13.8440 -13.6563 -13.6563 -13.4511 -13.4511 -4.7312 -4.7312 -2.6173 -2.6173 -2.1711 -2.1711 -1.8070 -1.8070 0.6186 0.6186 0.9018 0.9018 2.0807 2.0807 2.3982 2.3982 2.5040 2.5040 3.3451 3.3451 3.3757 3.3757 3.5332 3.5332 8.4183 8.4183 11.0191 11.0191 11.6352 11.6352 13.2161 13.2161 k = 0.0000 0.0000 0.0000 ( 9151 PWs) bands (ev): -40.0541 -40.0541 -40.0048 -40.0048 -39.3357 -39.3357 -39.2940 -39.2940 -17.5229 -17.5229 -13.8440 -13.8440 -13.6563 -13.6563 -13.4511 -13.4511 -4.7312 -4.7312 -2.6173 -2.6173 -2.1711 -2.1711 -1.8070 -1.8070 0.6186 0.6186 0.9018 0.9018 2.0807 2.0807 2.3982 2.3982 2.5040 2.5040 3.3451 3.3451 3.3757 3.3757 3.5332 3.5332 8.4183 8.4183 11.0191 11.0191 11.6352 11.6352 13.2161 13.2161 k = 0.0122-0.0077-0.0018 ( 9146 PWs) bands (ev): -40.0541 -40.0541 -40.0048 -40.0048 -39.3357 -39.3357 -39.2940 -39.2940 -17.5228 -17.5228 -13.8442 -13.8442 -13.6565 -13.6565 -13.4510 -13.4510 -4.7306 -4.7306 -2.6168 -2.6167 -2.1713 -2.1711 -1.8073 -1.8073 0.6191 0.6193 0.9017 0.9018 2.0805 2.0812 2.3976 2.3991 2.5022 2.5034 3.3436 3.3455 3.3744 3.3765 3.5330 3.5334 8.4202 8.4202 11.0156 11.0157 11.6392 11.6394 13.2129 13.2131 k = 0.0244-0.0154-0.0036 ( 9148 PWs) bands (ev): -40.0541 -40.0541 -40.0049 -40.0049 -39.3357 -39.3357 -39.2941 -39.2941 -17.5226 -17.5226 -13.8449 -13.8448 -13.6572 -13.6571 -13.4506 -13.4506 -4.7289 -4.7288 -2.6152 -2.6151 -2.1718 -2.1715 -1.8083 -1.8082 0.6209 0.6213 0.9015 0.9018 2.0805 2.0819 2.3973 2.4004 2.4980 2.5005 3.3410 3.3447 3.3729 3.3769 3.5328 3.5335 8.4258 8.4258 11.0056 11.0058 11.6510 11.6513 13.2039 13.2043 k = 0.0366-0.0231-0.0054 ( 9142 PWs) bands (ev): -40.0540 -40.0540 -40.0050 -40.0050 -39.3356 -39.3356 -39.2941 -39.2941 -17.5222 -17.5222 -13.8459 -13.8459 -13.6583 -13.6582 -13.4500 -13.4500 -4.7259 -4.7259 -2.6127 -2.6125 -2.1726 -2.1721 -1.8100 -1.8098 0.6240 0.6245 0.9013 0.9017 2.0807 2.0827 2.3972 2.4020 2.4915 2.4954 3.3372 3.3424 3.3713 3.3770 3.5326 3.5336 8.4350 8.4351 10.9898 10.9900 11.6699 11.6703 13.1897 13.1904 k = 0.0488-0.0308-0.0073 ( 9135 PWs) bands (ev): -40.0538 -40.0538 -40.0051 -40.0051 -39.3356 -39.3356 -39.2942 -39.2942 -17.5217 -17.5217 -13.8475 -13.8474 -13.6598 -13.6597 -13.4492 -13.4491 -4.7218 -4.7217 -2.6091 -2.6088 -2.1736 -2.1730 -1.8123 -1.8120 0.6283 0.6290 0.9010 0.9015 2.0809 2.0836 2.3969 2.4038 2.4830 2.4886 3.3322 3.3385 3.3699 3.3769 3.5324 3.5337 8.4478 8.4479 10.9690 10.9694 11.6950 11.6955 13.1714 13.1723 k = 0.0610-0.0385-0.0091 ( 9129 PWs) bands (ev): -40.0537 -40.0537 -40.0052 -40.0052 -39.3355 -39.3355 -39.2942 -39.2942 -17.5210 -17.5210 -13.8494 -13.8494 -13.6617 -13.6616 -13.4481 -13.4481 -4.7165 -4.7164 -2.6045 -2.6042 -2.1749 -2.1741 -1.8151 -1.8148 0.6338 0.6346 0.9008 0.9014 2.0810 2.0842 2.3962 2.4055 2.4729 2.4806 3.3258 3.3329 3.3687 3.3766 3.5324 3.5340 8.4641 8.4642 10.9443 10.9448 11.7251 11.7258 13.1500 13.1511 k = 0.0732-0.0462-0.0109 ( 9129 PWs) bands (ev): -40.0535 -40.0535 -40.0054 -40.0054 -39.3354 -39.3354 -39.2943 -39.2943 -17.5201 -17.5201 -13.8518 -13.8517 -13.6639 -13.6639 -13.4469 -13.4468 -4.7101 -4.7100 -2.5990 -2.5986 -2.1764 -2.1754 -1.8186 -1.8181 0.6404 0.6414 0.9007 0.9013 2.0806 2.0844 2.3941 2.4062 2.4623 2.4725 3.3181 3.3255 3.3679 3.3763 3.5325 3.5344 8.4838 8.4839 10.9166 10.9172 11.7595 11.7603 13.1267 13.1280 k = 0.0854-0.0539-0.0127 ( 9129 PWs) bands (ev): -40.0532 -40.0532 -40.0057 -40.0057 -39.3353 -39.3353 -39.2945 -39.2945 -17.5192 -17.5192 -13.8546 -13.8545 -13.6665 -13.6664 -13.4454 -13.4454 -4.7026 -4.7025 -2.5925 -2.5921 -2.1781 -2.1770 -1.8225 -1.8220 0.6482 0.6494 0.9007 0.9014 2.0795 2.0839 2.3897 2.4042 2.4530 2.4655 3.3092 3.3167 3.3672 3.3758 3.5329 3.5351 8.5067 8.5068 10.8867 10.8873 11.7972 11.7982 13.1022 13.1037 k = 0.0976-0.0616-0.0145 ( 9134 PWs) bands (ev): -40.0530 -40.0530 -40.0059 -40.0059 -39.3351 -39.3351 -39.2946 -39.2946 -17.5181 -17.5181 -13.8577 -13.8577 -13.6693 -13.6693 -13.4439 -13.4438 -4.6941 -4.6940 -2.5852 -2.5847 -2.1800 -2.1787 -1.8270 -1.8264 0.6570 0.6583 0.9009 0.9017 2.0773 2.0822 2.3818 2.3971 2.4479 2.4610 3.2990 3.3066 3.3666 3.3753 3.5336 3.5361 8.5326 8.5328 10.8551 10.8559 11.8377 11.8387 13.0774 13.0791 k = 0.1098-0.0693-0.0163 ( 9138 PWs) bands (ev): -40.0527 -40.0527 -40.0062 -40.0062 -39.3350 -39.3350 -39.2947 -39.2947 -17.5168 -17.5168 -13.8613 -13.8613 -13.6724 -13.6724 -13.4421 -13.4421 -4.6846 -4.6845 -2.5770 -2.5764 -2.1820 -2.1806 -1.8320 -1.8313 0.6667 0.6683 0.9015 0.9022 2.0737 2.0789 2.3702 2.3842 2.4477 2.4597 3.2879 3.2954 3.3659 3.3746 3.5347 3.5374 8.5613 8.5615 10.8224 10.8232 11.8803 11.8815 13.0530 13.0548 k = 0.1220-0.0770-0.0182 ( 9143 PWs) bands (ev): -40.0523 -40.0523 -40.0065 -40.0065 -39.3348 -39.3348 -39.2949 -39.2949 -17.5155 -17.5155 -13.8653 -13.8652 -13.6757 -13.6757 -13.4403 -13.4402 -4.6741 -4.6740 -2.5682 -2.5675 -2.1841 -2.1825 -1.8373 -1.8366 0.6774 0.6791 0.9024 0.9032 2.0681 2.0736 2.3554 2.3676 2.4509 2.4613 3.2761 3.2834 3.3651 3.3737 3.5363 3.5393 8.5927 8.5930 10.7888 10.7898 11.9247 11.9260 13.0293 13.0313 k = 0.1341-0.0847-0.0200 ( 9148 PWs) bands (ev): -40.0520 -40.0520 -40.0069 -40.0069 -39.3346 -39.3346 -39.2951 -39.2951 -17.5140 -17.5140 -13.8696 -13.8696 -13.6792 -13.6791 -13.4384 -13.4383 -4.6627 -4.6626 -2.5586 -2.5578 -2.1863 -2.1845 -1.8430 -1.8423 0.6888 0.6906 0.9040 0.9047 2.0602 2.0659 2.3386 2.3492 2.4558 2.4650 3.2636 3.2709 3.3641 3.3726 3.5384 3.5415 8.6265 8.6268 10.7548 10.7558 11.9705 11.9718 13.0069 13.0091 k = 0.1463-0.0924-0.0218 ( 9155 PWs) bands (ev): -40.0516 -40.0516 -40.0073 -40.0073 -39.3344 -39.3344 -39.2953 -39.2953 -17.5124 -17.5124 -13.8743 -13.8743 -13.6828 -13.6827 -13.4365 -13.4364 -4.6505 -4.6504 -2.5485 -2.5475 -2.1885 -2.1865 -1.8490 -1.8482 0.7008 0.7028 0.9062 0.9068 2.0495 2.0551 2.3211 2.3302 2.4617 2.4700 3.2509 3.2581 3.3629 3.3713 3.5411 3.5443 8.6625 8.6628 10.7204 10.7216 12.0173 12.0188 12.9861 12.9884 k = 0.1585-0.1001-0.0236 ( 9153 PWs) bands (ev): -40.0511 -40.0511 -40.0077 -40.0077 -39.3342 -39.3342 -39.2955 -39.2955 -17.5107 -17.5107 -13.8793 -13.8793 -13.6865 -13.6864 -13.4344 -13.4343 -4.6376 -4.6374 -2.5378 -2.5368 -2.1905 -2.1884 -1.8553 -1.8545 0.7133 0.7154 0.9093 0.9098 2.0355 2.0409 2.3036 2.3114 2.4677 2.4756 3.2383 3.2453 3.3614 3.3696 3.5443 3.5477 8.7004 8.7007 10.6860 10.6872 12.0650 12.0665 12.9671 12.9695 k = 0.1707-0.1078-0.0254 ( 9160 PWs) bands (ev): -40.0506 -40.0506 -40.0082 -40.0082 -39.3340 -39.3340 -39.2957 -39.2957 -17.5089 -17.5089 -13.8847 -13.8846 -13.6902 -13.6902 -13.4324 -13.4323 -4.6239 -4.6237 -2.5269 -2.5257 -2.1924 -2.1901 -1.8619 -1.8609 0.7260 0.7282 0.9135 0.9139 2.0180 2.0230 2.2869 2.2936 2.4737 2.4812 3.2259 3.2329 3.3596 3.3677 3.5481 3.5515 8.7400 8.7403 10.6516 10.6529 12.1131 12.1147 12.9501 12.9527 k = 0.1829-0.1155-0.0272 ( 9160 PWs) bands (ev): -40.0502 -40.0502 -40.0086 -40.0086 -39.3338 -39.3338 -39.2959 -39.2959 -17.5071 -17.5071 -13.8903 -13.8902 -13.6940 -13.6940 -13.4303 -13.4302 -4.6096 -4.6094 -2.5156 -2.5143 -2.1941 -2.1916 -1.8685 -1.8676 0.7386 0.7410 0.9189 0.9193 1.9967 2.0012 2.2715 2.2771 2.4790 2.4865 3.2142 3.2212 3.3576 3.3656 3.5524 3.5559 8.7810 8.7814 10.6174 10.6187 12.1616 12.1633 12.9353 12.9379 k = 0.1951-0.1232-0.0291 ( 9157 PWs) bands (ev): -40.0496 -40.0496 -40.0091 -40.0091 -39.3335 -39.3335 -39.2962 -39.2962 -17.5052 -17.5052 -13.8961 -13.8960 -13.6978 -13.6978 -13.4283 -13.4282 -4.5948 -4.5946 -2.5043 -2.5029 -2.1954 -2.1926 -1.8753 -1.8744 0.7511 0.7535 0.9257 0.9263 1.9717 1.9756 2.2575 2.2622 2.4833 2.4907 3.2034 3.2104 3.3554 3.3632 3.5573 3.5608 8.8233 8.8237 10.5834 10.5848 12.2102 12.2119 12.9227 12.9255 k = 0.2073-0.1309-0.0309 ( 9155 PWs) bands (ev): -40.0491 -40.0491 -40.0097 -40.0097 -39.3333 -39.3333 -39.2964 -39.2964 -17.5032 -17.5032 -13.9022 -13.9021 -13.7016 -13.7015 -13.4262 -13.4261 -4.5794 -4.5793 -2.4931 -2.4914 -2.1961 -2.1932 -1.8822 -1.8812 0.7631 0.7656 0.9342 0.9350 1.9432 1.9467 2.2449 2.2488 2.4862 2.4937 3.1940 3.2010 3.3531 3.3606 3.5626 3.5661 8.8665 8.8669 10.5497 10.5512 12.2587 12.2604 12.9127 12.9155 k = 0.2195-0.1386-0.0327 ( 9161 PWs) bands (ev): -40.0485 -40.0485 -40.0102 -40.0102 -39.3330 -39.3330 -39.2967 -39.2967 -17.5012 -17.5012 -13.9084 -13.9083 -13.7053 -13.7053 -13.4242 -13.4241 -4.5638 -4.5636 -2.4820 -2.4802 -2.1963 -2.1932 -1.8891 -1.8881 0.7743 0.7770 0.9445 0.9457 1.9117 1.9147 2.2334 2.2369 2.4874 2.4948 3.1861 3.1931 3.3506 3.3580 3.5684 3.5719 8.9104 8.9109 10.5164 10.5180 12.3068 12.3085 12.9051 12.9080 k = 0.2317-0.1463-0.0345 ( 9159 PWs) bands (ev): -40.0479 -40.0479 -40.0108 -40.0108 -39.3327 -39.3327 -39.2970 -39.2970 -17.4991 -17.4991 -13.9148 -13.9147 -13.7090 -13.7089 -13.4222 -13.4221 -4.5478 -4.5476 -2.4714 -2.4695 -2.1957 -2.1924 -1.8960 -1.8949 0.7848 0.7876 0.9568 0.9583 1.8777 1.8803 2.2230 2.2260 2.4865 2.4940 3.1799 3.1869 3.3481 3.3554 3.5746 3.5780 8.9549 8.9554 10.4837 10.4852 12.3541 12.3559 12.9002 12.9031 k = 0.2439-0.1540-0.0363 ( 9159 PWs) bands (ev): -40.0472 -40.0472 -40.0115 -40.0115 -39.3324 -39.3324 -39.2973 -39.2973 -17.4970 -17.4970 -13.9212 -13.9211 -13.7126 -13.7125 -13.4202 -13.4201 -4.5316 -4.5314 -2.4614 -2.4593 -2.1942 -2.1908 -1.9028 -1.9018 0.7945 0.7972 0.9710 0.9728 1.8415 1.8440 2.2133 2.2161 2.4834 2.4908 3.1756 3.1826 3.3457 3.3528 3.5810 3.5844 8.9995 9.0001 10.4514 10.4530 12.4005 12.4022 12.8981 12.9009 k = 0.2561-0.1618-0.0381 ( 9156 PWs) bands (ev): -40.0466 -40.0466 -40.0121 -40.0121 -39.3321 -39.3321 -39.2975 -39.2975 -17.4949 -17.4949 -13.9278 -13.9277 -13.7161 -13.7160 -13.4183 -13.4182 -4.5153 -4.5151 -2.4521 -2.4498 -2.1918 -2.1882 -1.9096 -1.9085 0.8033 0.8061 0.9870 0.9891 1.8038 1.8062 2.2042 2.2069 2.4779 2.4851 3.1733 3.1802 3.3434 3.3503 3.5878 3.5911 9.0443 9.0448 10.4198 10.4215 12.4455 12.4471 12.8989 12.9017 k = 0.2683-0.1695-0.0400 ( 9156 PWs) bands (ev): -40.0459 -40.0459 -40.0128 -40.0128 -39.3318 -39.3318 -39.2978 -39.2978 -17.4928 -17.4928 -13.9343 -13.9342 -13.7195 -13.7194 -13.4165 -13.4164 -4.4991 -4.4988 -2.4437 -2.4413 -2.1882 -2.1845 -1.9162 -1.9151 0.8115 0.8143 1.0047 1.0070 1.7649 1.7674 2.1954 2.1981 2.4700 2.4771 3.1727 3.1796 3.3414 3.3482 3.5947 3.5980 9.0888 9.0894 10.3889 10.3905 12.4886 12.4901 12.9029 12.9055 k = 0.2805-0.1772-0.0418 ( 9157 PWs) bands (ev): -40.0452 -40.0452 -40.0134 -40.0134 -39.3315 -39.3315 -39.2981 -39.2981 -17.4907 -17.4907 -13.9408 -13.9407 -13.7228 -13.7227 -13.4147 -13.4146 -4.4829 -4.4827 -2.4363 -2.4338 -2.1834 -2.1796 -1.9226 -1.9215 0.8192 0.8220 1.0237 1.0262 1.7253 1.7279 2.1868 2.1896 2.4598 2.4667 3.1738 3.1807 3.3398 3.3464 3.6018 3.6050 9.1329 9.1335 10.3587 10.3604 12.5293 12.5307 12.9102 12.9126 k = 0.2927-0.1849-0.0436 ( 9157 PWs) bands (ev): -40.0444 -40.0444 -40.0142 -40.0142 -39.3313 -39.3313 -39.2984 -39.2984 -17.4886 -17.4886 -13.9473 -13.9472 -13.7259 -13.7259 -13.4130 -13.4129 -4.4669 -4.4666 -2.4299 -2.4275 -2.1775 -2.1737 -1.9289 -1.9278 0.8267 0.8293 1.0437 1.0464 1.6855 1.6883 2.1784 2.1812 2.4475 2.4542 3.1762 3.1830 3.3387 3.3452 3.6090 3.6121 9.1764 9.1770 10.3293 10.3310 12.5670 12.5683 12.9213 12.9234 k = 0.3049-0.1926-0.0454 ( 9152 PWs) bands (ev): -40.0437 -40.0437 -40.0149 -40.0149 -39.3310 -39.3310 -39.2987 -39.2987 -17.4866 -17.4866 -13.9536 -13.9536 -13.7290 -13.7289 -13.4113 -13.4113 -4.4511 -4.4509 -2.4247 -2.4222 -2.1705 -2.1667 -1.9349 -1.9338 0.8339 0.8365 1.0645 1.0673 1.6458 1.6487 2.1699 2.1729 2.4334 2.4399 3.1796 3.1863 3.3383 3.3445 3.6162 3.6192 9.2190 9.2197 10.3008 10.3026 12.6011 12.6024 12.9363 12.9380 k = 0.3171-0.2003-0.0472 ( 9149 PWs) bands (ev): -40.0429 -40.0429 -40.0156 -40.0156 -39.3307 -39.3307 -39.2990 -39.2990 -17.4846 -17.4846 -13.9598 -13.9598 -13.7318 -13.7318 -13.4098 -13.4097 -4.4358 -4.4356 -2.4205 -2.4180 -2.1625 -2.1588 -1.9407 -1.9396 0.8412 0.8437 1.0856 1.0885 1.6066 1.6097 2.1614 2.1645 2.4178 2.4241 3.1837 3.1902 3.3386 3.3447 3.6234 3.6262 9.2607 9.2614 10.2733 10.2750 12.6311 12.6325 12.9553 12.9567 k = 0.3293-0.2080-0.0490 ( 9149 PWs) bands (ev): -40.0421 -40.0421 -40.0164 -40.0164 -39.3304 -39.3304 -39.2993 -39.2993 -17.4827 -17.4827 -13.9659 -13.9658 -13.7346 -13.7345 -13.4083 -13.4082 -4.4209 -4.4207 -2.4172 -2.4148 -2.1537 -2.1501 -1.9462 -1.9451 0.8487 0.8510 1.1066 1.1095 1.5683 1.5717 2.1528 2.1559 2.4011 2.4071 3.1880 3.1943 3.3398 3.3456 3.6305 3.6332 9.3011 9.3019 10.2468 10.2486 12.6568 12.6584 12.9783 12.9794 k = 0.3415-0.2157-0.0509 ( 9154 PWs) bands (ev): -40.0413 -40.0413 -40.0172 -40.0172 -39.3301 -39.3301 -39.2995 -39.2995 -17.4809 -17.4809 -13.9716 -13.9716 -13.7371 -13.7371 -13.4069 -13.4068 -4.4066 -4.4064 -2.4148 -2.4126 -2.1443 -2.1408 -1.9514 -1.9503 0.8564 0.8586 1.1271 1.1301 1.5315 1.5351 2.1439 2.1470 2.3838 2.3895 3.1922 3.1982 3.3420 3.3475 3.6374 3.6400 9.3401 9.3409 10.2215 10.2232 12.6783 12.6801 13.0047 13.0056 k = 0.3537-0.2234-0.0527 ( 9143 PWs) bands (ev): -40.0405 -40.0405 -40.0180 -40.0180 -39.3298 -39.3298 -39.2998 -39.2998 -17.4791 -17.4791 -13.9772 -13.9771 -13.7395 -13.7395 -13.4056 -13.4055 -4.3929 -4.3928 -2.4131 -2.4110 -2.1345 -2.1312 -1.9562 -1.9552 0.8646 0.8666 1.1464 1.1493 1.4967 1.5006 2.1347 2.1379 2.3662 2.3716 3.1962 3.2018 3.3452 3.3502 3.6442 3.6466 9.3775 9.3783 10.1973 10.1990 12.6959 12.6978 13.0339 13.0347 k = 0.3659-0.2311-0.0545 ( 9143 PWs) bands (ev): -40.0397 -40.0397 -40.0188 -40.0188 -39.3296 -39.3296 -39.3001 -39.3001 -17.4775 -17.4775 -13.9824 -13.9823 -13.7418 -13.7417 -13.4044 -13.4043 -4.3800 -4.3799 -2.4121 -2.4101 -2.1245 -2.1214 -1.9607 -1.9597 0.8732 0.8750 1.1636 1.1665 1.4648 1.4690 2.1252 2.1284 2.3488 2.3539 3.1996 3.2047 3.3492 3.3538 3.6506 3.6529 9.4132 9.4140 10.1744 10.1760 12.7100 12.7121 13.0650 13.0659 k = 0.3780-0.2388-0.0563 ( 9142 PWs) bands (ev): -40.0389 -40.0389 -40.0196 -40.0196 -39.3293 -39.3293 -39.3003 -39.3003 -17.4759 -17.4759 -13.9873 -13.9872 -13.7438 -13.7438 -13.4033 -13.4032 -4.3679 -4.3678 -2.4115 -2.4097 -2.1146 -2.1117 -1.9649 -1.9639 0.8824 0.8841 1.1776 1.1805 1.4369 1.4413 2.1154 2.1185 2.3319 2.3367 3.2023 3.2071 3.3539 3.3581 3.6568 3.6590 9.4468 9.4476 10.1529 10.1545 12.7213 12.7234 13.0971 13.0980 k = 0.3902-0.2465-0.0581 ( 9149 PWs) bands (ev): -40.0380 -40.0380 -40.0204 -40.0204 -39.3291 -39.3291 -39.3005 -39.3005 -17.4745 -17.4745 -13.9918 -13.9917 -13.7457 -13.7457 -13.4023 -13.4022 -4.3568 -4.3566 -2.4113 -2.4096 -2.1050 -2.1023 -1.9686 -1.9677 0.8922 0.8937 1.1869 1.1896 1.4144 1.4190 2.1052 2.1082 2.3160 2.3204 3.2045 3.2087 3.3592 3.3628 3.6626 3.6646 9.4782 9.4790 10.1328 10.1343 12.7303 12.7323 13.1293 13.1303 k = 0.4024-0.2542-0.0599 ( 9147 PWs) bands (ev): -40.0372 -40.0372 -40.0212 -40.0212 -39.3289 -39.3289 -39.3007 -39.3007 -17.4732 -17.4732 -13.9959 -13.9959 -13.7474 -13.7474 -13.4014 -13.4013 -4.3465 -4.3464 -2.4113 -2.4098 -2.0959 -2.0934 -1.9719 -1.9711 0.9027 0.9040 1.1898 1.1924 1.3989 1.4035 2.0948 2.0977 2.3014 2.3054 3.2061 3.2098 3.3646 3.3678 3.6680 3.6698 9.5073 9.5081 10.1143 10.1157 12.7373 12.7393 13.1608 13.1618 k = 0.4146-0.2619-0.0618 ( 9147 PWs) bands (ev): -40.0364 -40.0364 -40.0220 -40.0220 -39.3287 -39.3287 -39.3009 -39.3009 -17.4720 -17.4720 -13.9996 -13.9996 -13.7489 -13.7489 -13.4006 -13.4005 -4.3374 -4.3372 -2.4115 -2.4102 -2.0874 -2.0852 -1.9748 -1.9740 0.9139 0.9150 1.1858 1.1880 1.3910 1.3954 2.0844 2.0871 2.2883 2.2918 3.2073 3.2104 3.3701 3.3728 3.6729 3.6745 9.5337 9.5345 10.0974 10.0988 12.7427 12.7446 13.1908 13.1917 k = 0.4268-0.2696-0.0636 ( 9148 PWs) bands (ev): -40.0356 -40.0356 -40.0228 -40.0228 -39.3285 -39.3285 -39.3011 -39.3011 -17.4709 -17.4709 -14.0029 -14.0028 -13.7502 -13.7502 -13.3999 -13.3998 -4.3293 -4.3292 -2.4118 -2.4107 -2.0798 -2.0779 -1.9773 -1.9765 0.9256 0.9266 1.1754 1.1771 1.3900 1.3939 2.0741 2.0766 2.2769 2.2800 3.2080 3.2107 3.3754 3.3776 3.6772 3.6786 9.5574 9.5581 10.0823 10.0836 12.7469 12.7485 13.2184 13.2193 k = 0.4390-0.2773-0.0654 ( 9158 PWs) bands (ev): -40.0348 -40.0348 -40.0236 -40.0236 -39.3284 -39.3284 -39.3013 -39.3013 -17.4701 -17.4700 -14.0056 -14.0056 -13.7513 -13.7513 -13.3993 -13.3992 -4.3224 -4.3223 -2.4121 -2.4112 -2.0731 -2.0715 -1.9793 -1.9786 0.9379 0.9387 1.1606 1.1619 1.3935 1.3968 2.0644 2.0666 2.2674 2.2699 3.2085 3.2107 3.3802 3.3820 3.6811 3.6822 9.5780 9.5787 10.0692 10.0703 12.7500 12.7515 13.2432 13.2440 k = 0.4512-0.2850-0.0672 ( 9164 PWs) bands (ev): -40.0341 -40.0341 -40.0243 -40.0243 -39.3282 -39.3282 -39.3014 -39.3014 -17.4693 -17.4693 -14.0080 -14.0079 -13.7522 -13.7522 -13.3988 -13.3987 -4.3166 -4.3165 -2.4124 -2.4117 -2.0675 -2.0662 -1.9809 -1.9803 0.9504 0.9510 1.1437 1.1447 1.3994 1.4021 2.0557 2.0575 2.2596 2.2617 3.2089 3.2106 3.3844 3.3858 3.6843 3.6852 9.5953 9.5959 10.0581 10.0590 12.7523 12.7535 13.2644 13.2651 k = 0.4634-0.2927-0.0690 ( 9164 PWs) bands (ev): -40.0334 -40.0334 -40.0250 -40.0250 -39.3281 -39.3281 -39.3015 -39.3015 -17.4687 -17.4687 -14.0098 -14.0097 -13.7529 -13.7529 -13.3984 -13.3984 -4.3121 -4.3121 -2.4127 -2.4121 -2.0631 -2.0621 -1.9821 -1.9816 0.9626 0.9631 1.1267 1.1274 1.4057 1.4077 2.0484 2.0498 2.2537 2.2553 3.2091 3.2103 3.3878 3.3888 3.6868 3.6875 9.6091 9.6096 10.0493 10.0500 12.7540 12.7549 13.2816 13.2821 k = 0.4756-0.3004-0.0708 ( 9167 PWs) bands (ev): -40.0328 -40.0328 -40.0256 -40.0256 -39.3281 -39.3281 -39.3015 -39.3015 -17.4683 -17.4683 -14.0111 -14.0110 -13.7534 -13.7534 -13.3981 -13.3981 -4.3089 -4.3088 -2.4129 -2.4125 -2.0598 -2.0591 -1.9828 -1.9825 0.9737 0.9741 1.1118 1.1122 1.4111 1.4125 2.0429 2.0439 2.2496 2.2506 3.2092 3.2101 3.3904 3.3910 3.6887 3.6892 9.6192 9.6196 10.0429 10.0434 12.7551 12.7557 13.2942 13.2945 k = 0.4878-0.3081-0.0726 ( 9162 PWs) bands (ev): -40.0324 -40.0324 -40.0259 -40.0259 -39.3280 -39.3280 -39.3016 -39.3016 -17.4681 -17.4681 -14.0118 -14.0118 -13.7537 -13.7537 -13.3979 -13.3979 -4.3069 -4.3069 -2.4130 -2.4128 -2.0578 -2.0575 -1.9833 -1.9831 0.9819 0.9821 1.1011 1.1013 1.4148 1.4155 2.0395 2.0400 2.2473 2.2478 3.2094 3.2098 3.3920 3.3923 3.6899 3.6901 9.6254 9.6256 10.0390 10.0393 12.7558 12.7561 13.3019 13.3021 k = 0.5000-0.3158-0.0745 ( 9160 PWs) bands (ev): -40.0323 -40.0323 -40.0261 -40.0261 -39.3280 -39.3280 -39.3016 -39.3016 -17.4680 -17.4680 -14.0121 -14.0121 -13.7538 -13.7538 -13.3979 -13.3979 -4.3063 -4.3063 -2.4129 -2.4129 -2.0570 -2.0570 -1.9834 -1.9834 0.9851 0.9851 1.0972 1.0972 1.4163 1.4163 2.0385 2.0385 2.2467 2.2467 3.2096 3.2096 3.3927 3.3927 3.6904 3.6904 9.6275 9.6275 10.0378 10.0378 12.7561 12.7561 13.3046 13.3046 k = 0.5000-0.3158 0.4686 ( 9122 PWs) bands (ev): -40.0317 -40.0317 -40.0254 -40.0254 -39.3280 -39.3280 -39.3023 -39.3023 -17.4364 -17.4364 -14.0264 -14.0264 -13.6954 -13.6954 -13.5472 -13.5472 -4.2728 -4.2728 -2.4464 -2.4464 -2.2649 -2.2649 -1.9611 -1.9611 1.2880 1.2880 1.3412 1.3412 1.7728 1.7728 1.8586 1.8586 2.1517 2.1517 3.1853 3.1853 3.4045 3.4045 3.8612 3.8612 9.0957 9.0957 9.7119 9.7119 12.8619 12.8619 13.2968 13.2968 k = 0.4904-0.3097 0.4596 ( 9117 PWs) bands (ev): -40.0318 -40.0318 -40.0253 -40.0253 -39.3280 -39.3280 -39.3023 -39.3023 -17.4365 -17.4365 -14.0263 -14.0263 -13.6954 -13.6954 -13.5471 -13.5470 -4.2732 -4.2732 -2.4461 -2.4460 -2.2650 -2.2649 -1.9615 -1.9615 1.2885 1.2895 1.3404 1.3414 1.7681 1.7706 1.8595 1.8625 2.1521 2.1527 3.1847 3.1856 3.4037 3.4045 3.8607 3.8610 9.0963 9.0965 9.7131 9.7132 12.8581 12.8582 13.3004 13.3006 k = 0.4808-0.3037 0.4506 ( 9119 PWs) bands (ev): -40.0320 -40.0320 -40.0251 -40.0251 -39.3280 -39.3280 -39.3023 -39.3023 -17.4367 -17.4367 -14.0258 -14.0258 -13.6957 -13.6956 -13.5465 -13.5464 -4.2744 -4.2743 -2.4450 -2.4448 -2.2651 -2.2650 -1.9629 -1.9627 1.2907 1.2929 1.3390 1.3412 1.7580 1.7621 1.8646 1.8697 2.1538 2.1551 3.1836 3.1854 3.4020 3.4036 3.8594 3.8600 9.0982 9.0985 9.7168 9.7169 12.8470 12.8473 13.3109 13.3113 k = 0.4712-0.2976 0.4416 ( 9122 PWs) bands (ev): -40.0324 -40.0324 -40.0248 -40.0248 -39.3280 -39.3280 -39.3022 -39.3022 -17.4371 -17.4371 -14.0251 -14.0250 -13.6960 -13.6960 -13.5455 -13.5454 -4.2763 -4.2763 -2.4431 -2.4428 -2.2654 -2.2652 -1.9650 -1.9648 1.2942 1.2978 1.3373 1.3408 1.7443 1.7493 1.8721 1.8784 2.1569 2.1588 3.1821 3.1848 3.3996 3.4020 3.8575 3.8583 9.1014 9.1018 9.7230 9.7231 12.8297 12.8301 13.3276 13.3281 k = 0.4615-0.2915 0.4326 ( 9123 PWs) bands (ev): -40.0328 -40.0328 -40.0244 -40.0244 -39.3281 -39.3281 -39.3021 -39.3021 -17.4377 -17.4377 -14.0240 -14.0240 -13.6965 -13.6964 -13.5441 -13.5441 -4.2790 -4.2790 -2.4405 -2.4401 -2.2657 -2.2654 -1.9678 -1.9675 1.2981 1.3035 1.3360 1.3413 1.7284 1.7336 1.8805 1.8873 2.1615 2.1638 3.1802 3.1838 3.3964 3.3996 3.8548 3.8558 9.1057 9.1062 9.7316 9.7318 12.8071 12.8075 13.3494 13.3500 k = 0.4519-0.2854 0.4236 ( 9121 PWs) bands (ev): -40.0333 -40.0333 -40.0239 -40.0239 -39.3282 -39.3282 -39.3021 -39.3021 -17.4384 -17.4384 -14.0226 -14.0226 -13.6970 -13.6970 -13.5424 -13.5424 -4.2825 -4.2825 -2.4371 -2.4367 -2.2663 -2.2659 -1.9713 -1.9710 1.3007 1.3077 1.3373 1.3440 1.7110 1.7163 1.8888 1.8959 2.1675 2.1702 3.1779 3.1823 3.3925 3.3965 3.8514 3.8527 9.1110 9.1117 9.7426 9.7428 12.7803 12.7808 13.3753 13.3760 k = 0.4423-0.2794 0.4146 ( 9121 PWs) bands (ev): -40.0339 -40.0339 -40.0233 -40.0233 -39.3283 -39.3283 -39.3019 -39.3019 -17.4392 -17.4392 -14.0209 -14.0209 -13.6977 -13.6976 -13.5404 -13.5403 -4.2867 -4.2867 -2.4331 -2.4325 -2.2670 -2.2665 -1.9754 -1.9750 1.3004 1.3074 1.3438 1.3505 1.6926 1.6978 1.8966 1.9036 2.1750 2.1778 3.1751 3.1804 3.3880 3.3928 3.8473 3.8489 9.1173 9.1181 9.7559 9.7562 12.7502 12.7508 13.4042 13.4050 k = 0.4327-0.2733 0.4056 ( 9121 PWs) bands (ev): -40.0345 -40.0345 -40.0228 -40.0228 -39.3284 -39.3284 -39.3018 -39.3018 -17.4402 -17.4402 -14.0190 -14.0189 -13.6984 -13.6983 -13.5381 -13.5380 -4.2917 -4.2916 -2.4284 -2.4278 -2.2680 -2.2674 -1.9799 -1.9793 1.2969 1.3028 1.3553 1.3610 1.6736 1.6787 1.9037 1.9105 2.1838 2.1866 3.1718 3.1780 3.3830 3.3886 3.8425 3.8444 9.1243 9.1252 9.7714 9.7718 12.7175 12.7181 13.4356 13.4363 k = 0.4231-0.2672 0.3965 ( 9120 PWs) bands (ev): -40.0351 -40.0351 -40.0222 -40.0222 -39.3286 -39.3286 -39.3017 -39.3017 -17.4414 -17.4414 -14.0167 -14.0167 -13.6992 -13.6991 -13.5355 -13.5353 -4.2974 -4.2973 -2.4231 -2.4224 -2.2693 -2.2686 -1.9846 -1.9840 1.2906 1.2955 1.3698 1.3746 1.6544 1.6594 1.9101 1.9166 2.1938 2.1966 3.1680 3.1750 3.3776 3.3841 3.8371 3.8392 9.1319 9.1329 9.7892 9.7896 12.6829 12.6835 13.4687 13.4695 k = 0.4135-0.2611 0.3875 ( 9121 PWs) bands (ev): -40.0357 -40.0357 -40.0216 -40.0216 -39.3287 -39.3287 -39.3015 -39.3015 -17.4427 -17.4427 -14.0142 -14.0141 -13.7000 -13.6999 -13.5326 -13.5325 -4.3038 -4.3037 -2.4173 -2.4165 -2.2710 -2.2701 -1.9895 -1.9887 1.2821 1.2864 1.3861 1.3903 1.6353 1.6402 1.9159 1.9219 2.2050 2.2077 3.1636 3.1714 3.3720 3.3792 3.8311 3.8334 9.1397 9.1409 9.8090 9.8094 12.6468 12.6474 13.5030 13.5038 k = 0.4038-0.2551 0.3785 ( 9128 PWs) bands (ev): -40.0363 -40.0363 -40.0210 -40.0210 -39.3289 -39.3289 -39.3013 -39.3013 -17.4441 -17.4441 -14.0113 -14.0113 -13.7008 -13.7007 -13.5295 -13.5294 -4.3109 -4.3108 -2.4111 -2.4103 -2.2731 -2.2721 -1.9943 -1.9934 1.2719 1.2757 1.4031 1.4072 1.6169 1.6219 1.9212 1.9266 2.2172 2.2197 3.1587 3.1672 3.3663 3.3743 3.8246 3.8270 9.1477 9.1490 9.8307 9.8312 12.6095 12.6102 13.5379 13.5387 k = 0.3942-0.2490 0.3695 ( 9129 PWs) bands (ev): -40.0370 -40.0370 -40.0204 -40.0204 -39.3291 -39.3291 -39.3011 -39.3011 -17.4456 -17.4456 -14.0082 -14.0082 -13.7016 -13.7014 -13.5263 -13.5261 -4.3187 -4.3186 -2.4045 -2.4037 -2.2757 -2.2745 -1.9988 -1.9978 1.2601 1.2636 1.4195 1.4239 1.6001 1.6055 1.9262 1.9310 2.2303 2.2325 3.1532 3.1623 3.3607 3.3694 3.8174 3.8201 9.1556 9.1569 9.8543 9.8548 12.5715 12.5722 13.5725 13.5735 k = 0.3846-0.2429 0.3605 ( 9129 PWs) bands (ev): -40.0376 -40.0376 -40.0198 -40.0198 -39.3293 -39.3293 -39.3009 -39.3009 -17.4473 -17.4473 -14.0049 -14.0048 -13.7023 -13.7022 -13.5229 -13.5227 -4.3271 -4.3270 -2.3978 -2.3969 -2.2787 -2.2773 -2.0029 -2.0018 1.2469 1.2501 1.4335 1.4386 1.5868 1.5929 1.9309 1.9353 2.2439 2.2460 3.1471 3.1567 3.3554 3.3646 3.8097 3.8126 9.1630 9.1645 9.8795 9.8800 12.5331 12.5339 13.6059 13.6070 k = 0.3750-0.2368 0.3515 ( 9128 PWs) bands (ev): -40.0383 -40.0383 -40.0191 -40.0191 -39.3295 -39.3295 -39.3007 -39.3007 -17.4491 -17.4491 -14.0012 -14.0012 -13.7030 -13.7029 -13.5193 -13.5192 -4.3362 -4.3361 -2.3912 -2.3903 -2.2821 -2.2804 -2.0065 -2.0052 1.2324 1.2355 1.4422 1.4481 1.5800 1.5868 1.9357 1.9395 2.2582 2.2601 3.1403 3.1504 3.3504 3.3602 3.8015 3.8046 9.1699 9.1714 9.9063 9.9068 12.4946 12.4954 13.6361 13.6376 k = 0.3654-0.2308 0.3425 ( 9131 PWs) bands (ev): -40.0389 -40.0389 -40.0185 -40.0185 -39.3297 -39.3297 -39.3005 -39.3005 -17.4510 -17.4510 -13.9974 -13.9973 -13.7036 -13.7035 -13.5157 -13.5155 -4.3458 -4.3457 -2.3849 -2.3840 -2.2856 -2.2837 -2.0093 -2.0078 1.2166 1.2196 1.4427 1.4489 1.5828 1.5900 1.9406 1.9439 2.2727 2.2747 3.1329 3.1434 3.3460 3.3562 3.7929 3.7961 9.1759 9.1775 9.9344 9.9349 12.4562 12.4571 13.6604 13.6625 k = 0.3558-0.2247 0.3335 ( 9134 PWs) bands (ev): -40.0395 -40.0395 -40.0179 -40.0179 -39.3299 -39.3299 -39.3003 -39.3003 -17.4530 -17.4530 -13.9933 -13.9932 -13.7042 -13.7040 -13.5120 -13.5118 -4.3560 -4.3559 -2.3794 -2.3785 -2.2889 -2.2868 -2.0113 -2.0097 1.1997 1.2026 1.4347 1.4406 1.5957 1.6025 1.9458 1.9486 2.2876 2.2897 3.1250 3.1357 3.3422 3.3527 3.7838 3.7872 9.1808 9.1824 9.9637 9.9642 12.4184 12.4193 13.6756 13.6785 k = 0.3462-0.2186 0.3244 ( 9132 PWs) bands (ev): -40.0402 -40.0402 -40.0173 -40.0173 -39.3301 -39.3301 -39.3000 -39.3000 -17.4551 -17.4551 -13.9889 -13.9889 -13.7046 -13.7044 -13.5083 -13.5081 -4.3667 -4.3666 -2.3751 -2.3743 -2.2916 -2.2892 -2.0123 -2.0107 1.1818 1.1846 1.4206 1.4257 1.6158 1.6221 1.9514 1.9538 2.3026 2.3050 3.1166 3.1274 3.3391 3.3498 3.7743 3.7779 9.1843 9.1860 9.9940 9.9945 12.3813 12.3823 13.6799 13.6834 k = 0.3365-0.2126 0.3154 ( 9139 PWs) bands (ev): -40.0408 -40.0408 -40.0167 -40.0167 -39.3304 -39.3304 -39.2998 -39.2998 -17.4573 -17.4573 -13.9844 -13.9843 -13.7049 -13.7047 -13.5046 -13.5044 -4.3780 -4.3778 -2.3729 -2.3723 -2.2929 -2.2903 -2.0124 -2.0106 1.1628 1.1656 1.4025 1.4070 1.6403 1.6462 1.9575 1.9594 2.3177 2.3204 3.1077 3.1185 3.3368 3.3476 3.7644 3.7681 9.1862 9.1879 10.0252 10.0257 12.3451 12.3462 13.6744 13.6783 k = 0.3269-0.2065 0.3064 ( 9139 PWs) bands (ev): -40.0415 -40.0415 -40.0161 -40.0161 -39.3306 -39.3306 -39.2996 -39.2995 -17.4596 -17.4596 -13.9797 -13.9796 -13.7051 -13.7050 -13.5008 -13.5006 -4.3897 -4.3895 -2.3733 -2.3728 -2.2922 -2.2896 -2.0115 -2.0097 1.1430 1.1457 1.3823 1.3862 1.6675 1.6731 1.9642 1.9657 2.3328 2.3358 3.0986 3.1093 3.3354 3.3462 3.7542 3.7580 9.1863 9.1880 10.0571 10.0575 12.3102 12.3113 13.6615 13.6656 k = 0.3173-0.2004 0.2974 ( 9136 PWs) bands (ev): -40.0421 -40.0421 -40.0156 -40.0156 -39.3308 -39.3308 -39.2993 -39.2993 -17.4620 -17.4619 -13.9748 -13.9747 -13.7052 -13.7050 -13.4971 -13.4969 -4.4018 -4.4016 -2.3764 -2.3761 -2.2895 -2.2868 -2.0097 -2.0077 1.1225 1.1252 1.3607 1.3641 1.6962 1.7017 1.9715 1.9726 2.3478 2.3512 3.0894 3.0998 3.3348 3.3454 3.7437 3.7476 9.1844 9.1861 10.0896 10.0900 12.2767 12.2778 13.6433 13.6475 k = 0.3077-0.1943 0.2884 ( 9140 PWs) bands (ev): -40.0427 -40.0427 -40.0150 -40.0150 -39.3311 -39.3311 -39.2990 -39.2990 -17.4644 -17.4644 -13.9697 -13.9696 -13.7052 -13.7050 -13.4935 -13.4933 -4.4143 -4.4141 -2.3820 -2.3818 -2.2849 -2.2822 -2.0068 -2.0049 1.1013 1.1039 1.3384 1.3415 1.7257 1.7313 1.9796 1.9803 2.3626 2.3664 3.0802 3.0903 3.3350 3.3455 3.7329 3.7370 9.1802 9.1819 10.1226 10.1230 12.2447 12.2458 13.6212 13.6253 k = 0.2981-0.1883 0.2794 ( 9137 PWs) bands (ev): -40.0433 -40.0433 -40.0144 -40.0144 -39.3313 -39.3313 -39.2988 -39.2988 -17.4668 -17.4668 -13.9645 -13.9644 -13.7050 -13.7048 -13.4899 -13.4897 -4.4271 -4.4269 -2.3898 -2.3895 -2.2789 -2.2762 -2.0031 -2.0011 1.0796 1.0822 1.3157 1.3185 1.7555 1.7612 1.9884 1.9890 2.3771 2.3813 3.0712 3.0809 3.3360 3.3462 3.7219 3.7261 9.1737 9.1754 10.1559 10.1563 12.2143 12.2155 13.5958 13.5999 k = 0.2885-0.1822 0.2704 ( 9133 PWs) bands (ev): -40.0439 -40.0439 -40.0139 -40.0139 -39.3316 -39.3316 -39.2985 -39.2985 -17.4694 -17.4693 -13.9591 -13.9590 -13.7046 -13.7044 -13.4864 -13.4862 -4.4402 -4.4401 -2.3990 -2.3986 -2.2720 -2.2694 -1.9985 -1.9966 1.0574 1.0600 1.2929 1.2954 1.7853 1.7912 1.9980 1.9987 2.3913 2.3958 3.0627 3.0720 3.3377 3.3476 3.7107 3.7149 9.1646 9.1663 10.1895 10.1899 12.1856 12.1869 13.5679 13.5720 k = 0.2788-0.1761 0.2614 ( 9137 PWs) bands (ev): -40.0445 -40.0445 -40.0133 -40.0133 -39.3318 -39.3318 -39.2983 -39.2983 -17.4719 -17.4719 -13.9536 -13.9535 -13.7041 -13.7039 -13.4830 -13.4828 -4.4536 -4.4534 -2.4093 -2.4087 -2.2646 -2.2621 -1.9932 -1.9912 1.0350 1.0376 1.2701 1.2723 1.8144 1.8206 2.0086 2.0097 2.4049 2.4097 3.0550 3.0637 3.3401 3.3497 3.6993 3.7037 9.1529 9.1545 10.2234 10.2237 12.1586 12.1599 13.5380 13.5419 k = 0.2692-0.1700 0.2523 ( 9137 PWs) bands (ev): -40.0451 -40.0451 -40.0128 -40.0128 -39.3320 -39.3320 -39.2980 -39.2980 -17.4745 -17.4745 -13.9481 -13.9480 -13.7035 -13.7033 -13.4798 -13.4795 -4.4672 -4.4670 -2.4202 -2.4195 -2.2570 -2.2546 -1.9871 -1.9852 1.0124 1.0149 1.2474 1.2495 1.8426 1.8491 2.0205 2.0220 2.4178 2.4230 3.0482 3.0564 3.3431 3.3524 3.6878 3.6923 9.1385 9.1401 10.2574 10.2577 12.1333 12.1346 13.5065 13.5103 k = 0.2596-0.1640 0.2433 ( 9135 PWs) bands (ev): -40.0457 -40.0457 -40.0123 -40.0123 -39.3323 -39.3323 -39.2978 -39.2978 -17.4771 -17.4771 -13.9425 -13.9424 -13.7027 -13.7025 -13.4766 -13.4764 -4.4809 -4.4807 -2.4315 -2.4308 -2.2495 -2.2471 -1.9804 -1.9785 0.9897 0.9922 1.2251 1.2269 1.8693 1.8762 2.0339 2.0358 2.4298 2.4354 3.0426 3.0503 3.3466 3.3555 3.6763 3.6809 9.1214 9.1229 10.2915 10.2918 12.1096 12.1109 13.4740 13.4777 k = 0.2500-0.1579 0.2343 ( 9137 PWs) bands (ev): -40.0462 -40.0462 -40.0118 -40.0118 -39.3325 -39.3325 -39.2976 -39.2975 -17.4797 -17.4797 -13.9368 -13.9367 -13.7017 -13.7015 -13.4737 -13.4735 -4.4947 -4.4946 -2.4431 -2.4423 -2.2421 -2.2398 -1.9731 -1.9712 0.9670 0.9695 1.2031 1.2048 1.8942 1.9014 2.0491 2.0514 2.4408 2.4468 3.0385 3.0456 3.3506 3.3592 3.6648 3.6695 9.1016 9.1031 10.3258 10.3260 12.0872 12.0885 13.4409 13.4444 k = 0.2404-0.1518 0.2253 ( 9137 PWs) bands (ev): -40.0468 -40.0468 -40.0113 -40.0113 -39.3327 -39.3327 -39.2973 -39.2973 -17.4823 -17.4823 -13.9311 -13.9310 -13.7006 -13.7004 -13.4709 -13.4706 -4.5086 -4.5085 -2.4548 -2.4539 -2.2349 -2.2327 -1.9653 -1.9635 0.9444 0.9469 1.1816 1.1831 1.9169 1.9242 2.0664 2.0688 2.4507 2.4570 3.0362 3.0427 3.3549 3.3632 3.6534 3.6582 9.0792 9.0806 10.3601 10.3603 12.0660 12.0674 13.4076 13.4110 k = 0.2308-0.1458 0.2163 ( 9140 PWs) bands (ev): -40.0473 -40.0473 -40.0108 -40.0108 -39.3329 -39.3329 -39.2971 -39.2971 -17.4849 -17.4849 -13.9255 -13.9254 -13.6994 -13.6992 -13.4682 -13.4680 -4.5225 -4.5224 -2.4664 -2.4655 -2.2281 -2.2260 -1.9570 -1.9554 0.9221 0.9246 1.1605 1.1620 1.9371 1.9445 2.0858 2.0882 2.4592 2.4658 3.0358 3.0418 3.3595 3.3675 3.6421 3.6470 9.0543 9.0557 10.3944 10.3946 12.0459 12.0472 13.3748 13.3780 k = 0.2212-0.1397 0.2073 ( 9136 PWs) bands (ev): -40.0478 -40.0478 -40.0104 -40.0104 -39.3331 -39.3331 -39.2968 -39.2968 -17.4875 -17.4875 -13.9198 -13.9197 -13.6980 -13.6978 -13.4658 -13.4656 -4.5363 -4.5362 -2.4779 -2.4770 -2.2217 -2.2197 -1.9485 -1.9469 0.9001 0.9025 1.1401 1.1415 1.9550 1.9621 2.1072 2.1094 2.4663 2.4732 3.0375 3.0429 3.3643 3.3720 3.6310 3.6360 9.0271 9.0284 10.4288 10.4290 12.0265 12.0278 13.3427 13.3459 k = 0.2115-0.1336 0.1983 ( 9145 PWs) bands (ev): -40.0483 -40.0483 -40.0099 -40.0099 -39.3333 -39.3333 -39.2966 -39.2966 -17.4901 -17.4900 -13.9142 -13.9141 -13.6964 -13.6962 -13.4635 -13.4633 -4.5501 -4.5499 -2.4891 -2.4882 -2.2158 -2.2138 -1.9397 -1.9381 0.8786 0.8809 1.1203 1.1217 1.9706 1.9774 2.1301 2.1319 2.4718 2.4791 3.0415 3.0464 3.3692 3.3766 3.6202 3.6253 8.9978 8.9990 10.4632 10.4634 12.0076 12.0089 13.3120 13.3150 k = 0.2019-0.1275 0.1893 ( 9142 PWs) bands (ev): -40.0488 -40.0488 -40.0095 -40.0095 -39.3335 -39.3335 -39.2964 -39.2964 -17.4926 -17.4926 -13.9087 -13.9086 -13.6947 -13.6945 -13.4614 -13.4612 -4.5637 -4.5635 -2.5001 -2.4992 -2.2102 -2.2083 -1.9306 -1.9292 0.8575 0.8598 1.1013 1.1025 1.9843 1.9906 2.1539 2.1556 2.4758 2.4834 3.0477 3.0522 3.3740 3.3812 3.6098 3.6150 8.9666 8.9678 10.4975 10.4977 11.9890 11.9902 13.2830 13.2858 k = 0.1923-0.1215 0.1802 ( 9137 PWs) bands (ev): -40.0493 -40.0493 -40.0091 -40.0091 -39.3337 -39.3337 -39.2962 -39.2962 -17.4950 -17.4950 -13.9033 -13.9032 -13.6928 -13.6926 -13.4596 -13.4593 -4.5770 -4.5769 -2.5107 -2.5098 -2.2052 -2.2033 -1.9215 -1.9202 0.8370 0.8392 1.0829 1.0841 1.9963 2.0022 2.1782 2.1799 2.4782 2.4862 3.0562 3.0603 3.3786 3.3857 3.5998 3.6052 8.9337 8.9349 10.5318 10.5320 11.9704 11.9716 13.2561 13.2588 k = 0.1827-0.1154 0.1712 ( 9140 PWs) bands (ev): -40.0497 -40.0497 -40.0087 -40.0087 -39.3339 -39.3339 -39.2960 -39.2960 -17.4975 -17.4974 -13.8980 -13.8979 -13.6909 -13.6907 -13.4579 -13.4577 -4.5901 -4.5900 -2.5209 -2.5200 -2.2005 -2.1988 -1.9124 -1.9111 0.8171 0.8193 1.0654 1.0665 2.0069 2.0124 2.2024 2.2045 2.4792 2.4876 3.0668 3.0706 3.3829 3.3899 3.5904 3.5959 8.8996 8.9006 10.5660 10.5662 11.9517 11.9528 13.2316 13.2341 k = 0.1731-0.1093 0.1622 ( 9142 PWs) bands (ev): -40.0502 -40.0502 -40.0083 -40.0083 -39.3341 -39.3341 -39.2958 -39.2958 -17.4998 -17.4998 -13.8929 -13.8928 -13.6888 -13.6886 -13.4564 -13.4562 -4.6030 -4.6028 -2.5307 -2.5298 -2.1964 -2.1947 -1.9033 -1.9021 0.7979 0.8000 1.0486 1.0497 2.0164 2.0214 2.2262 2.2290 2.4789 2.4877 3.0795 3.0830 3.3867 3.3937 3.5816 3.5873 8.8643 8.8653 10.5999 10.6002 11.9326 11.9337 13.2098 13.2122 k = 0.1635-0.1032 0.1532 ( 9142 PWs) bands (ev): -40.0506 -40.0506 -40.0079 -40.0079 -39.3343 -39.3343 -39.2956 -39.2956 -17.5021 -17.5021 -13.8879 -13.8878 -13.6866 -13.6864 -13.4551 -13.4549 -4.6154 -4.6153 -2.5400 -2.5392 -2.1926 -2.1911 -1.8943 -1.8932 0.7795 0.7815 1.0327 1.0338 2.0249 2.0295 2.2493 2.2531 2.4775 2.4869 3.0940 3.0973 3.3900 3.3971 3.5736 3.5794 8.8284 8.8294 10.6337 10.6340 11.9131 11.9141 13.1910 13.1932 k = 0.1538-0.0972 0.1442 ( 9141 PWs) bands (ev): -40.0510 -40.0510 -40.0076 -40.0076 -39.3344 -39.3344 -39.2954 -39.2954 -17.5043 -17.5043 -13.8831 -13.8831 -13.6843 -13.6841 -13.4540 -13.4538 -4.6274 -4.6273 -2.5488 -2.5480 -2.1893 -2.1878 -1.8855 -1.8845 0.7619 0.7638 1.0177 1.0187 2.0325 2.0368 2.2714 2.2764 2.4752 2.4852 3.1100 3.1131 3.3926 3.3998 3.5664 3.5724 8.7921 8.7930 10.6671 10.6674 11.8931 11.8940 13.1753 13.1774 k = 0.1442-0.0911 0.1352 ( 9142 PWs) bands (ev): -40.0513 -40.0513 -40.0073 -40.0073 -39.3346 -39.3346 -39.2953 -39.2953 -17.5064 -17.5064 -13.8786 -13.8785 -13.6819 -13.6818 -13.4530 -13.4529 -4.6390 -4.6389 -2.5571 -2.5564 -2.1863 -2.1850 -1.8770 -1.8761 0.7452 0.7470 1.0035 1.0046 2.0394 2.0433 2.2924 2.2986 2.4723 2.4831 3.1273 3.1303 3.3944 3.4018 3.5601 3.5662 8.7558 8.7566 10.7001 10.7004 11.8726 11.8735 13.1627 13.1647 k = 0.1346-0.0850 0.1262 ( 9143 PWs) bands (ev): -40.0517 -40.0517 -40.0070 -40.0070 -39.3347 -39.3347 -39.2951 -39.2951 -17.5084 -17.5084 -13.8743 -13.8742 -13.6795 -13.6794 -13.4523 -13.4521 -4.6501 -4.6500 -2.5649 -2.5642 -2.1838 -2.1825 -1.8687 -1.8679 0.7293 0.7311 0.9903 0.9913 2.0455 2.0492 2.3120 2.3196 2.4691 2.4808 3.1456 3.1485 3.3954 3.4030 3.5548 3.5610 8.7198 8.7205 10.7325 10.7329 11.8516 11.8525 13.1534 13.1552 k = 0.1250-0.0789 0.1172 ( 9138 PWs) bands (ev): -40.0520 -40.0520 -40.0067 -40.0067 -39.3349 -39.3349 -39.2950 -39.2950 -17.5103 -17.5103 -13.8702 -13.8701 -13.6771 -13.6769 -13.4517 -13.4515 -4.6606 -4.6605 -2.5722 -2.5715 -2.1815 -2.1803 -1.8608 -1.8601 0.7144 0.7161 0.9780 0.9789 2.0510 2.0544 2.3299 2.3392 2.4659 2.4787 3.1646 3.1675 3.3956 3.4034 3.5503 3.5566 8.6844 8.6851 10.7643 10.7646 11.8303 11.8311 13.1472 13.1489 k = 0.1154-0.0729 0.1081 ( 9138 PWs) bands (ev): -40.0523 -40.0523 -40.0064 -40.0064 -39.3350 -39.3350 -39.2948 -39.2948 -17.5121 -17.5120 -13.8664 -13.8663 -13.6747 -13.6745 -13.4512 -13.4511 -4.6705 -4.6704 -2.5789 -2.5783 -2.1796 -2.1785 -1.8534 -1.8527 0.7005 0.7021 0.9666 0.9675 2.0559 2.0591 2.3459 2.3569 2.4630 2.4771 3.1840 3.1869 3.3949 3.4031 3.5467 3.5530 8.6500 8.6506 10.7953 10.7956 11.8089 11.8096 13.1441 13.1456 k = 0.1058-0.0668 0.0991 ( 9139 PWs) bands (ev): -40.0526 -40.0526 -40.0061 -40.0061 -39.3351 -39.3351 -39.2947 -39.2947 -17.5137 -17.5137 -13.8629 -13.8628 -13.6722 -13.6721 -13.4509 -13.4507 -4.6798 -4.6797 -2.5851 -2.5845 -2.1779 -2.1769 -1.8463 -1.8457 0.6876 0.6891 0.9561 0.9570 2.0603 2.0632 2.3597 2.3724 2.4610 2.4763 3.2034 3.2064 3.3936 3.4020 3.5439 3.5501 8.6169 8.6175 10.8252 10.8256 11.7874 11.7881 13.1439 13.1453 k = 0.0962-0.0607 0.0901 ( 9140 PWs) bands (ev): -40.0529 -40.0529 -40.0059 -40.0059 -39.3352 -39.3352 -39.2946 -39.2946 -17.5153 -17.5153 -13.8596 -13.8596 -13.6699 -13.6698 -13.4507 -13.4506 -4.6884 -4.6883 -2.5908 -2.5902 -2.1765 -2.1756 -1.8398 -1.8392 0.6758 0.6771 0.9466 0.9474 2.0641 2.0668 2.3710 2.3851 2.4604 2.4767 3.2227 3.2258 3.3917 3.4004 3.5416 3.5477 8.5855 8.5860 10.8540 10.8543 11.7663 11.7669 13.1463 13.1476 k = 0.0865-0.0547 0.0811 ( 9144 PWs) bands (ev): -40.0531 -40.0531 -40.0057 -40.0057 -39.3353 -39.3353 -39.2945 -39.2945 -17.5167 -17.5167 -13.8567 -13.8566 -13.6676 -13.6675 -13.4506 -13.4505 -4.6963 -4.6963 -2.5959 -2.5954 -2.1753 -2.1745 -1.8338 -1.8333 0.6650 0.6662 0.9380 0.9387 2.0675 2.0699 2.3797 2.3945 2.4618 2.4785 3.2414 3.2448 3.3894 3.3984 3.5398 3.5458 8.5560 8.5564 10.8814 10.8817 11.7456 11.7461 13.1511 13.1522 k = 0.0769-0.0486 0.0721 ( 9147 PWs) bands (ev): -40.0533 -40.0533 -40.0055 -40.0055 -39.3354 -39.3354 -39.2944 -39.2944 -17.5180 -17.5180 -13.8540 -13.8540 -13.6655 -13.6654 -13.4506 -13.4504 -4.7035 -4.7034 -2.6004 -2.5999 -2.1743 -2.1736 -1.8283 -1.8278 0.6553 0.6564 0.9303 0.9309 2.0703 2.0726 2.3861 2.4005 2.4656 2.4814 3.2593 3.2631 3.3867 3.3961 3.5384 3.5440 8.5287 8.5291 10.9072 10.9075 11.7257 11.7262 13.1579 13.1589 k = 0.0673-0.0425 0.0631 ( 9143 PWs) bands (ev): -40.0535 -40.0535 -40.0054 -40.0054 -39.3355 -39.3355 -39.2943 -39.2943 -17.5191 -17.5191 -13.8517 -13.8516 -13.6635 -13.6634 -13.4506 -13.4505 -4.7099 -4.7098 -2.6044 -2.6040 -2.1735 -2.1729 -1.8234 -1.8230 0.6467 0.6477 0.9235 0.9241 2.0728 2.0748 2.3904 2.4033 2.4712 2.4853 3.2761 3.2804 3.3840 3.3937 3.5371 3.5425 8.5039 8.5043 10.9311 10.9313 11.7069 11.7073 13.1662 13.1671 k = 0.0577-0.0364 0.0541 ( 9143 PWs) bands (ev): -40.0537 -40.0537 -40.0052 -40.0052 -39.3355 -39.3355 -39.2942 -39.2942 -17.5201 -17.5201 -13.8496 -13.8496 -13.6617 -13.6616 -13.4507 -13.4506 -4.7155 -4.7154 -2.6079 -2.6075 -2.1728 -2.1723 -1.8191 -1.8188 0.6392 0.6401 0.9177 0.9182 2.0749 2.0766 2.3931 2.4041 2.4777 2.4897 3.2916 3.2965 3.3812 3.3912 3.5360 3.5409 8.4819 8.4822 10.9528 10.9530 11.6896 11.6900 13.1756 13.1764 k = 0.0481-0.0304 0.0451 ( 9146 PWs) bands (ev): -40.0538 -40.0538 -40.0051 -40.0051 -39.3356 -39.3356 -39.2942 -39.2942 -17.5209 -17.5209 -13.8479 -13.8479 -13.6601 -13.6600 -13.4508 -13.4507 -4.7203 -4.7202 -2.6108 -2.6105 -2.1723 -2.1718 -1.8155 -1.8152 0.6329 0.6336 0.9128 0.9132 2.0766 2.0781 2.3947 2.4037 2.4844 2.4941 3.3055 3.3111 3.3785 3.3887 3.5350 3.5393 8.4629 8.4631 10.9719 10.9721 11.6741 11.6744 13.1854 13.1860 k = 0.0385-0.0243 0.0360 ( 9147 PWs) bands (ev): -40.0539 -40.0539 -40.0050 -40.0050 -39.3356 -39.3356 -39.2941 -39.2941 -17.5216 -17.5216 -13.8465 -13.8465 -13.6588 -13.6587 -13.4509 -13.4508 -4.7242 -4.7242 -2.6131 -2.6129 -2.1719 -2.1715 -1.8125 -1.8122 0.6277 0.6283 0.9088 0.9091 2.0780 2.0792 2.3956 2.4027 2.4904 2.4980 3.3176 3.3238 3.3761 3.3862 3.5341 3.5378 8.4471 8.4473 10.9883 10.9885 11.6607 11.6609 13.1949 13.1954 k = 0.0288-0.0182 0.0270 ( 9150 PWs) bands (ev): -40.0540 -40.0540 -40.0049 -40.0049 -39.3357 -39.3357 -39.2941 -39.2941 -17.5222 -17.5222 -13.8454 -13.8454 -13.6577 -13.6576 -13.4510 -13.4509 -4.7273 -4.7272 -2.6150 -2.6148 -2.1716 -2.1713 -1.8101 -1.8099 0.6237 0.6241 0.9057 0.9059 2.0791 2.0800 2.3963 2.4014 2.4956 2.5011 3.3278 3.3342 3.3742 3.3837 3.5334 3.5363 8.4346 8.4347 11.0014 11.0016 11.6498 11.6500 13.2034 13.2038 k = 0.0192-0.0121 0.0180 ( 9149 PWs) bands (ev): -40.0541 -40.0541 -40.0049 -40.0049 -39.3357 -39.3357 -39.2941 -39.2941 -17.5226 -17.5226 -13.8446 -13.8446 -13.6569 -13.6569 -13.4511 -13.4510 -4.7295 -4.7295 -2.6163 -2.6162 -2.1713 -2.1711 -1.8084 -1.8083 0.6208 0.6211 0.9035 0.9037 2.0799 2.0805 2.3968 2.4002 2.4997 2.5032 3.3359 3.3416 3.3732 3.3811 3.5330 3.5350 8.4256 8.4257 11.0111 11.0112 11.6418 11.6419 13.2101 13.2104 k = 0.0096-0.0061 0.0090 ( 9149 PWs) bands (ev): -40.0541 -40.0541 -40.0048 -40.0048 -39.3357 -39.3357 -39.2940 -39.2940 -17.5228 -17.5228 -13.8441 -13.8441 -13.6564 -13.6564 -13.4511 -13.4511 -4.7308 -4.7308 -2.6170 -2.6170 -2.1712 -2.1711 -1.8073 -1.8073 0.6191 0.6193 0.9022 0.9023 2.0804 2.0807 2.3974 2.3991 2.5025 2.5042 3.3417 3.3453 3.3737 3.3784 3.5329 3.5339 8.4201 8.4202 11.0170 11.0171 11.6369 11.6370 13.2145 13.2146 k = 0.0000 0.0000 0.0000 ( 9151 PWs) bands (ev): -40.0541 -40.0541 -40.0048 -40.0048 -39.3357 -39.3357 -39.2940 -39.2940 -17.5229 -17.5229 -13.8440 -13.8440 -13.6563 -13.6563 -13.4511 -13.4511 -4.7312 -4.7312 -2.6173 -2.6173 -2.1711 -2.1711 -1.8070 -1.8070 0.6186 0.6186 0.9018 0.9018 2.0807 2.0807 2.3982 2.3982 2.5040 2.5040 3.3451 3.3451 3.3757 3.3757 3.5332 3.5332 8.4183 8.4183 11.0191 11.0191 11.6352 11.6352 13.2161 13.2161 Writing output data file Li4CO4.save init_run : 2.03s CPU 9.72s WALL ( 1 calls) electrons : 1214.92s CPU 1227.39s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.04s WALL ( 1 calls) potinit : 0.25s CPU 1.68s WALL ( 1 calls) Called by electrons: c_bands : 1214.85s CPU 1227.03s WALL ( 1 calls) v_of_rho : 0.10s CPU 1.27s WALL ( 1 calls) v_h : 0.04s CPU 0.05s WALL ( 1 calls) v_xc : 0.05s CPU 0.63s WALL ( 1 calls) newd : 0.11s CPU 0.39s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.16s WALL ( 360 calls) cegterg : 1128.03s CPU 1136.77s WALL ( 1038 calls) Called by sum_band: Called by *egterg: h_psi : 671.24s CPU 682.50s WALL ( 18516 calls) s_psi : 34.28s CPU 34.99s WALL ( 18516 calls) g_psi : 1.70s CPU 1.78s WALL ( 17118 calls) cdiaghg : 289.74s CPU 285.71s WALL ( 17478 calls) cegterg:over : 87.57s CPU 83.52s WALL ( 17118 calls) cegterg:upda : 30.51s CPU 36.40s WALL ( 17118 calls) cegterg:last : 21.65s CPU 22.65s WALL ( 2478 calls) Called by h_psi: h_psi:vloc : 582.89s CPU 592.07s WALL ( 18516 calls) h_psi:vnl : 87.33s CPU 88.39s WALL ( 18516 calls) add_vuspsi : 27.34s CPU 31.73s WALL ( 18516 calls) General routines calbec : 59.91s CPU 56.51s WALL ( 18516 calls) fft : 0.65s CPU 1.42s WALL ( 15 calls) fftw : 556.79s CPU 561.19s WALL ( 1493028 calls) davcio : 0.04s CPU 2.25s WALL ( 720 calls) Parallel routines fft_scatter : 298.04s CPU 300.53s WALL ( 1493043 calls) PWSCF : 21m34.31s CPU 24m31.64s WALL This run was terminated on: 9:14: 7 2Jan2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=