Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17: 9:47 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 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./MgCN2.save/ file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 47 29 8 1046 496 80 Max 48 30 9 1050 508 83 Sum 1719 1055 313 37735 18019 2945 bravais-lattice index = 14 lattice parameter (alat) = 9.5893 a.u. unit-cell volume = 294.9109 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 24.00 number of Kohn-Sham states= 32 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 386.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.589343 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.791940 celldm(5)= 0.791940 celldm(6)= 0.791940 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.791940 0.610599 0.000000 ) a(3) = ( 0.791940 0.269851 0.547733 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.296990 -0.806864 ) b(2) = ( 0.000000 1.637737 -0.806864 ) b(3) = ( 0.000000 0.000000 1.825709 ) PseudoPot. # 1 for Mg read from file: /users/gautes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1129 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Mg 10.00 24.30500 Mg( 1.00) C 4.00 12.01070 C( 1.00) N 5.00 14.00670 N( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 380 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026316 k( 2) = ( 0.0087719 -0.0113771 -0.0070778), wk = 0.0026316 k( 3) = ( 0.0175439 -0.0227542 -0.0141555), wk = 0.0026316 k( 4) = ( 0.0263158 -0.0341313 -0.0212333), wk = 0.0026316 k( 5) = ( 0.0350877 -0.0455084 -0.0283110), wk = 0.0026316 k( 6) = ( 0.0438597 -0.0568855 -0.0353888), wk = 0.0026316 k( 7) = ( 0.0526316 -0.0682626 -0.0424665), wk = 0.0026316 k( 8) = ( 0.0614035 -0.0796397 -0.0495443), wk = 0.0026316 k( 9) = ( 0.0701754 -0.0910168 -0.0566220), wk = 0.0026316 k( 10) = ( 0.0789474 -0.1023939 -0.0636998), wk = 0.0026316 k( 11) = ( 0.0877193 -0.1137710 -0.0707775), wk = 0.0026316 k( 12) = ( 0.0964912 -0.1251481 -0.0778553), wk = 0.0026316 k( 13) = ( 0.1052632 -0.1365252 -0.0849331), wk = 0.0026316 k( 14) = ( 0.1140351 -0.1479023 -0.0920108), wk = 0.0026316 k( 15) = ( 0.1228070 -0.1592795 -0.0990886), wk = 0.0026316 k( 16) = ( 0.1315790 -0.1706566 -0.1061663), wk = 0.0026316 k( 17) = ( 0.1403509 -0.1820337 -0.1132441), wk = 0.0026316 k( 18) = ( 0.1491228 -0.1934108 -0.1203218), wk = 0.0026316 k( 19) = ( 0.1578947 -0.2047879 -0.1273996), wk = 0.0026316 k( 20) = ( 0.1666667 -0.2161650 -0.1344773), wk = 0.0026316 k( 21) = ( 0.1754386 -0.2275421 -0.1415551), wk = 0.0026316 k( 22) = ( 0.1842105 -0.2389192 -0.1486328), wk = 0.0026316 k( 23) = ( 0.1929825 -0.2502963 -0.1557106), wk = 0.0026316 k( 24) = ( 0.2017544 -0.2616734 -0.1627884), wk = 0.0026316 k( 25) = ( 0.2105263 -0.2730505 -0.1698661), wk = 0.0026316 k( 26) = ( 0.2192983 -0.2844276 -0.1769439), wk = 0.0026316 k( 27) = ( 0.2280702 -0.2958047 -0.1840216), wk = 0.0026316 k( 28) = ( 0.2368421 -0.3071818 -0.1910994), wk = 0.0026316 k( 29) = ( 0.2456140 -0.3185589 -0.1981771), wk = 0.0026316 k( 30) = ( 0.2543860 -0.3299360 -0.2052549), wk = 0.0026316 k( 31) = ( 0.2631579 -0.3413131 -0.2123326), wk = 0.0026316 k( 32) = ( 0.2719298 -0.3526902 -0.2194104), wk = 0.0026316 k( 33) = ( 0.2807018 -0.3640673 -0.2264881), wk = 0.0026316 k( 34) = ( 0.2894737 -0.3754444 -0.2335659), wk = 0.0026316 k( 35) = ( 0.2982456 -0.3868215 -0.2406437), wk = 0.0026316 k( 36) = ( 0.3070175 -0.3981986 -0.2477214), wk = 0.0026316 k( 37) = ( 0.3157895 -0.4095757 -0.2547992), wk = 0.0026316 k( 38) = ( 0.3245614 -0.4209528 -0.2618769), wk = 0.0026316 k( 39) = ( 0.3333333 -0.4323299 -0.2689547), wk = 0.0026316 k( 40) = ( 0.3421053 -0.4437070 -0.2760324), wk = 0.0026316 k( 41) = ( 0.3508772 -0.4550841 -0.2831102), wk = 0.0026316 k( 42) = ( 0.3596491 -0.4664612 -0.2901879), wk = 0.0026316 k( 43) = ( 0.3684211 -0.4778383 -0.2972657), wk = 0.0026316 k( 44) = ( 0.3771930 -0.4892154 -0.3043434), wk = 0.0026316 k( 45) = ( 0.3859649 -0.5005925 -0.3114212), wk = 0.0026316 k( 46) = ( 0.3947368 -0.5119697 -0.3184990), wk = 0.0026316 k( 47) = ( 0.4035088 -0.5233468 -0.3255767), wk = 0.0026316 k( 48) = ( 0.4122807 -0.5347239 -0.3326545), wk = 0.0026316 k( 49) = ( 0.4210526 -0.5461010 -0.3397322), wk = 0.0026316 k( 50) = ( 0.4298246 -0.5574781 -0.3468100), wk = 0.0026316 k( 51) = ( 0.4385965 -0.5688552 -0.3538877), wk = 0.0026316 k( 52) = ( 0.4473684 -0.5802323 -0.3609655), wk = 0.0026316 k( 53) = ( 0.4561404 -0.5916094 -0.3680432), wk = 0.0026316 k( 54) = ( 0.4649123 -0.6029865 -0.3751210), wk = 0.0026316 k( 55) = ( 0.4736842 -0.6143636 -0.3821987), wk = 0.0026316 k( 56) = ( 0.4824561 -0.6257407 -0.3892765), wk = 0.0026316 k( 57) = ( 0.4912281 -0.6371178 -0.3963543), wk = 0.0026316 k( 58) = ( 0.5000000 -0.6484949 -0.4034320), wk = 0.0026316 k( 59) = ( 0.5000000 -0.6484949 -0.4034320), wk = 0.0026316 k( 60) = ( 0.5000000 -0.6401550 -0.4168379), wk = 0.0026316 k( 61) = ( 0.5000000 -0.6318152 -0.4302437), wk = 0.0026316 k( 62) = ( 0.5000000 -0.6234754 -0.4436496), wk = 0.0026316 k( 63) = ( 0.5000000 -0.6151355 -0.4570554), wk = 0.0026316 k( 64) = ( 0.5000000 -0.6067957 -0.4704613), wk = 0.0026316 k( 65) = ( 0.5000000 -0.5984558 -0.4838671), wk = 0.0026316 k( 66) = ( 0.5000000 -0.5901160 -0.4972730), wk = 0.0026316 k( 67) = ( 0.5000000 -0.5817761 -0.5106788), wk = 0.0026316 k( 68) = ( 0.5000000 -0.5734363 -0.5240847), wk = 0.0026316 k( 69) = ( 0.5000000 -0.5650964 -0.5374905), wk = 0.0026316 k( 70) = ( 0.5000000 -0.5567566 -0.5508964), wk = 0.0026316 k( 71) = ( 0.5000000 -0.5484167 -0.5643022), wk = 0.0026316 k( 72) = ( 0.5000000 -0.5400769 -0.5777081), wk = 0.0026316 k( 73) = ( 0.5000000 -0.5317370 -0.5911139), wk = 0.0026316 k( 74) = ( 0.5000000 -0.5233972 -0.6045198), wk = 0.0026316 k( 75) = ( 0.5000000 -0.5150573 -0.6179256), wk = 0.0026316 k( 76) = ( 0.5000000 -0.5067175 -0.6313315), wk = 0.0026316 k( 77) = ( 0.5000000 -0.4983776 -0.6447373), wk = 0.0026316 k( 78) = ( 0.5000000 -0.4900378 -0.6581432), wk = 0.0026316 k( 79) = ( 0.5000000 -0.4816979 -0.6715490), wk = 0.0026316 k( 80) = ( 0.5000000 -0.4733581 -0.6849549), wk = 0.0026316 k( 81) = ( 0.5000000 -0.4650182 -0.6983607), wk = 0.0026316 k( 82) = ( 0.5000000 -0.4566784 -0.7117666), wk = 0.0026316 k( 83) = ( 0.5000000 -0.4483385 -0.7251724), wk = 0.0026316 k( 84) = ( 0.5000000 -0.4399987 -0.7385783), wk = 0.0026316 k( 85) = ( 0.5000000 -0.4316588 -0.7519841), wk = 0.0026316 k( 86) = ( 0.5000000 -0.4233190 -0.7653900), wk = 0.0026316 k( 87) = ( 0.5000000 -0.4149791 -0.7787958), wk = 0.0026316 k( 88) = ( 0.5000000 -0.4066393 -0.7922017), wk = 0.0026316 k( 89) = ( 0.5000000 -0.3982994 -0.8056075), wk = 0.0026316 k( 90) = ( 0.5000000 -0.3899596 -0.8190134), wk = 0.0026316 k( 91) = ( 0.5000000 -0.3816197 -0.8324192), wk = 0.0026316 k( 92) = ( 0.5000000 -0.3732799 -0.8458251), wk = 0.0026316 k( 93) = ( 0.5000000 -0.3649400 -0.8592309), wk = 0.0026316 k( 94) = ( 0.5000000 -0.3566002 -0.8726368), wk = 0.0026316 k( 95) = ( 0.5000000 -0.3482603 -0.8860426), wk = 0.0026316 k( 96) = ( 0.5000000 -0.3399205 -0.8994485), wk = 0.0026316 k( 97) = ( 0.5000000 -0.3315806 -0.9128543), wk = 0.0026316 k( 98) = ( 0.8064926 -0.2271442 -0.7008737), wk = 0.0026316 k( 99) = ( 0.8012978 -0.2204066 -0.6871981), wk = 0.0026316 k( 100) = ( 0.7961030 -0.2136690 -0.6735224), wk = 0.0026316 k( 101) = ( 0.7909082 -0.2069314 -0.6598467), wk = 0.0026316 k( 102) = ( 0.7857134 -0.2001938 -0.6461711), wk = 0.0026316 k( 103) = ( 0.7805186 -0.1934562 -0.6324954), wk = 0.0026316 k( 104) = ( 0.7753239 -0.1867186 -0.6188197), wk = 0.0026316 k( 105) = ( 0.7701291 -0.1799810 -0.6051441), wk = 0.0026316 k( 106) = ( 0.7649343 -0.1732434 -0.5914684), wk = 0.0026316 k( 107) = ( 0.7597395 -0.1665059 -0.5777928), wk = 0.0026316 k( 108) = ( 0.7545447 -0.1597683 -0.5641171), wk = 0.0026316 k( 109) = ( 0.7493499 -0.1530307 -0.5504415), wk = 0.0026316 k( 110) = ( 0.7441551 -0.1462931 -0.5367658), wk = 0.0026316 k( 111) = ( 0.7389603 -0.1395555 -0.5230901), wk = 0.0026316 k( 112) = ( 0.7337655 -0.1328179 -0.5094145), wk = 0.0026316 k( 113) = ( 0.7285708 -0.1260803 -0.4957388), wk = 0.0026316 k( 114) = ( 0.7233760 -0.1193427 -0.4820631), wk = 0.0026316 k( 115) = ( 0.7181812 -0.1126051 -0.4683875), wk = 0.0026316 k( 116) = ( 0.7129864 -0.1058676 -0.4547118), wk = 0.0026316 k( 117) = ( 0.7077916 -0.0991300 -0.4410362), wk = 0.0026316 k( 118) = ( 0.7025968 -0.0923924 -0.4273605), wk = 0.0026316 k( 119) = ( 0.6974020 -0.0856548 -0.4136848), wk = 0.0026316 k( 120) = ( 0.6922072 -0.0789172 -0.4000092), wk = 0.0026316 k( 121) = ( 0.6870124 -0.0721796 -0.3863335), wk = 0.0026316 k( 122) = ( 0.6818176 -0.0654420 -0.3726579), wk = 0.0026316 k( 123) = ( 0.6766228 -0.0587044 -0.3589822), wk = 0.0026316 k( 124) = ( 0.6714281 -0.0519668 -0.3453065), wk = 0.0026316 k( 125) = ( 0.6662333 -0.0452292 -0.3316309), wk = 0.0026316 k( 126) = ( 0.6610385 -0.0384917 -0.3179552), wk = 0.0026316 k( 127) = ( 0.6558437 -0.0317541 -0.3042795), wk = 0.0026316 k( 128) = ( 0.6506489 -0.0250165 -0.2906039), wk = 0.0026316 k( 129) = ( 0.6454541 -0.0182789 -0.2769282), wk = 0.0026316 k( 130) = ( 0.6402593 -0.0115413 -0.2632526), wk = 0.0026316 k( 131) = ( 0.6350645 -0.0048037 -0.2495769), wk = 0.0026316 k( 132) = ( 0.6298697 0.0019339 -0.2359012), wk = 0.0026316 k( 133) = ( 0.6246749 0.0086715 -0.2222256), wk = 0.0026316 k( 134) = ( 0.6194802 0.0154091 -0.2085499), wk = 0.0026316 k( 135) = ( 0.6142854 0.0221467 -0.1948742), wk = 0.0026316 k( 136) = ( 0.6090906 0.0288842 -0.1811986), wk = 0.0026316 k( 137) = ( 0.6038958 0.0356218 -0.1675229), wk = 0.0026316 k( 138) = ( 0.5987010 0.0423594 -0.1538473), wk = 0.0026316 k( 139) = ( 0.5935062 0.0490970 -0.1401716), wk = 0.0026316 k( 140) = ( 0.5883114 0.0558346 -0.1264960), wk = 0.0026316 k( 141) = ( 0.5831166 0.0625722 -0.1128203), wk = 0.0026316 k( 142) = ( 0.5779218 0.0693098 -0.0991446), wk = 0.0026316 k( 143) = ( 0.5727271 0.0760474 -0.0854690), wk = 0.0026316 k( 144) = ( 0.5675323 0.0827849 -0.0717933), wk = 0.0026316 k( 145) = ( 0.5623375 0.0895225 -0.0581176), wk = 0.0026316 k( 146) = ( 0.5571427 0.0962601 -0.0444420), wk = 0.0026316 k( 147) = ( 0.5519479 0.1029977 -0.0307663), wk = 0.0026316 k( 148) = ( 0.5467531 0.1097353 -0.0170907), wk = 0.0026316 k( 149) = ( 0.5415583 0.1164729 -0.0034150), wk = 0.0026316 k( 150) = ( 0.5363635 0.1232105 0.0102607), wk = 0.0026316 k( 151) = ( 0.5311687 0.1299481 0.0239363), wk = 0.0026316 k( 152) = ( 0.5259740 0.1366857 0.0376120), wk = 0.0026316 k( 153) = ( 0.5207792 0.1434233 0.0512877), wk = 0.0026316 k( 154) = ( 0.5155844 0.1501608 0.0649633), wk = 0.0026316 k( 155) = ( 0.5103896 0.1568984 0.0786390), wk = 0.0026316 k( 156) = ( 0.5051948 0.1636360 0.0923146), wk = 0.0026316 k( 157) = ( 0.5000000 0.1703736 0.1059903), wk = 0.0026316 k( 158) = ( 0.5000000 0.1703736 0.1059903), wk = 0.0026316 k( 159) = ( 0.4852941 0.1653626 0.1028729), wk = 0.0026316 k( 160) = ( 0.4705882 0.1603516 0.0997556), wk = 0.0026316 k( 161) = ( 0.4558823 0.1553406 0.0966382), wk = 0.0026316 k( 162) = ( 0.4411765 0.1503297 0.0935209), wk = 0.0026316 k( 163) = ( 0.4264706 0.1453187 0.0904035), wk = 0.0026316 k( 164) = ( 0.4117647 0.1403077 0.0872861), wk = 0.0026316 k( 165) = ( 0.3970588 0.1352967 0.0841688), wk = 0.0026316 k( 166) = ( 0.3823529 0.1302857 0.0810514), wk = 0.0026316 k( 167) = ( 0.3676471 0.1252747 0.0779340), wk = 0.0026316 k( 168) = ( 0.3529412 0.1202637 0.0748167), wk = 0.0026316 k( 169) = ( 0.3382353 0.1152527 0.0716993), wk = 0.0026316 k( 170) = ( 0.3235294 0.1102417 0.0685820), wk = 0.0026316 k( 171) = ( 0.3088235 0.1052308 0.0654646), wk = 0.0026316 k( 172) = ( 0.2941177 0.1002198 0.0623472), wk = 0.0026316 k( 173) = ( 0.2794118 0.0952088 0.0592299), wk = 0.0026316 k( 174) = ( 0.2647059 0.0901978 0.0561125), wk = 0.0026316 k( 175) = ( 0.2500000 0.0851868 0.0529951), wk = 0.0026316 k( 176) = ( 0.2352941 0.0801758 0.0498778), wk = 0.0026316 k( 177) = ( 0.2205882 0.0751648 0.0467604), wk = 0.0026316 k( 178) = ( 0.2058823 0.0701538 0.0436431), wk = 0.0026316 k( 179) = ( 0.1911765 0.0651429 0.0405257), wk = 0.0026316 k( 180) = ( 0.1764706 0.0601319 0.0374083), wk = 0.0026316 k( 181) = ( 0.1617647 0.0551209 0.0342910), wk = 0.0026316 k( 182) = ( 0.1470588 0.0501099 0.0311736), wk = 0.0026316 k( 183) = ( 0.1323529 0.0450989 0.0280563), wk = 0.0026316 k( 184) = ( 0.1176471 0.0400879 0.0249389), wk = 0.0026316 k( 185) = ( 0.1029412 0.0350769 0.0218215), wk = 0.0026316 k( 186) = ( 0.0882353 0.0300659 0.0187042), wk = 0.0026316 k( 187) = ( 0.0735294 0.0250549 0.0155868), wk = 0.0026316 k( 188) = ( 0.0588235 0.0200440 0.0124694), wk = 0.0026316 k( 189) = ( 0.0441177 0.0150330 0.0093521), wk = 0.0026316 k( 190) = ( 0.0294118 0.0100220 0.0062347), wk = 0.0026316 k( 191) = ( 0.0147059 0.0050110 0.0031174), wk = 0.0026316 k( 192) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026316 k( 193) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026316 k( 194) = ( 0.0051754 -0.0067125 -0.0136247), wk = 0.0026316 k( 195) = ( 0.0103509 -0.0134250 -0.0272494), wk = 0.0026316 k( 196) = ( 0.0155263 -0.0201374 -0.0408741), wk = 0.0026316 k( 197) = ( 0.0207017 -0.0268499 -0.0544988), wk = 0.0026316 k( 198) = ( 0.0258771 -0.0335624 -0.0681235), wk = 0.0026316 k( 199) = ( 0.0310526 -0.0402749 -0.0817481), wk = 0.0026316 k( 200) = ( 0.0362280 -0.0469873 -0.0953728), wk = 0.0026316 k( 201) = ( 0.0414034 -0.0536998 -0.1089975), wk = 0.0026316 k( 202) = ( 0.0465789 -0.0604123 -0.1226222), wk = 0.0026316 k( 203) = ( 0.0517543 -0.0671248 -0.1362469), wk = 0.0026316 k( 204) = ( 0.0569297 -0.0738373 -0.1498716), wk = 0.0026316 k( 205) = ( 0.0621051 -0.0805497 -0.1634963), wk = 0.0026316 k( 206) = ( 0.0672806 -0.0872622 -0.1771210), wk = 0.0026316 k( 207) = ( 0.0724560 -0.0939747 -0.1907457), wk = 0.0026316 k( 208) = ( 0.0776314 -0.1006872 -0.2043704), wk = 0.0026316 k( 209) = ( 0.0828069 -0.1073996 -0.2179951), wk = 0.0026316 k( 210) = ( 0.0879823 -0.1141121 -0.2316197), wk = 0.0026316 k( 211) = ( 0.0931577 -0.1208246 -0.2452444), wk = 0.0026316 k( 212) = ( 0.0983331 -0.1275371 -0.2588691), wk = 0.0026316 k( 213) = ( 0.1035086 -0.1342496 -0.2724938), wk = 0.0026316 k( 214) = ( 0.1086840 -0.1409620 -0.2861185), wk = 0.0026316 k( 215) = ( 0.1138594 -0.1476745 -0.2997432), wk = 0.0026316 k( 216) = ( 0.1190348 -0.1543870 -0.3133679), wk = 0.0026316 k( 217) = ( 0.1242103 -0.1610995 -0.3269926), wk = 0.0026316 k( 218) = ( 0.1293857 -0.1678119 -0.3406173), wk = 0.0026316 k( 219) = ( 0.1345611 -0.1745244 -0.3542420), wk = 0.0026316 k( 220) = ( 0.1397366 -0.1812369 -0.3678667), wk = 0.0026316 k( 221) = ( 0.1449120 -0.1879494 -0.3814914), wk = 0.0026316 k( 222) = ( 0.1500874 -0.1946619 -0.3951160), wk = 0.0026316 k( 223) = ( 0.1552629 -0.2013743 -0.4087407), wk = 0.0026316 k( 224) = ( 0.1604383 -0.2080868 -0.4223654), wk = 0.0026316 k( 225) = ( 0.1656137 -0.2147993 -0.4359901), wk = 0.0026316 k( 226) = ( 0.1707891 -0.2215118 -0.4496148), wk = 0.0026316 k( 227) = ( 0.1759646 -0.2282243 -0.4632395), wk = 0.0026316 k( 228) = ( 0.1811400 -0.2349367 -0.4768642), wk = 0.0026316 k( 229) = ( 0.1863154 -0.2416492 -0.4904889), wk = 0.0026316 k( 230) = ( 0.1914908 -0.2483617 -0.5041136), wk = 0.0026316 k( 231) = ( 0.1966663 -0.2550742 -0.5177383), wk = 0.0026316 k( 232) = ( 0.2018417 -0.2617866 -0.5313630), wk = 0.0026316 k( 233) = ( 0.2070171 -0.2684991 -0.5449877), wk = 0.0026316 k( 234) = ( 0.2121926 -0.2752116 -0.5586123), wk = 0.0026316 k( 235) = ( 0.2173680 -0.2819241 -0.5722370), wk = 0.0026316 k( 236) = ( 0.2225434 -0.2886365 -0.5858617), wk = 0.0026316 k( 237) = ( 0.2277189 -0.2953490 -0.5994864), wk = 0.0026316 k( 238) = ( 0.2328943 -0.3020615 -0.6131111), wk = 0.0026316 k( 239) = ( 0.2380697 -0.3087740 -0.6267358), wk = 0.0026316 k( 240) = ( 0.2432451 -0.3154865 -0.6403605), wk = 0.0026316 k( 241) = ( 0.2484206 -0.3221989 -0.6539852), wk = 0.0026316 k( 242) = ( 0.2535960 -0.3289114 -0.6676099), wk = 0.0026316 k( 243) = ( 0.2587714 -0.3356239 -0.6812346), wk = 0.0026316 k( 244) = ( 0.2639469 -0.3423364 -0.6948593), wk = 0.0026316 k( 245) = ( 0.2691223 -0.3490488 -0.7084840), wk = 0.0026316 k( 246) = ( 0.2742977 -0.3557613 -0.7221087), wk = 0.0026316 k( 247) = ( 0.2794731 -0.3624738 -0.7357333), wk = 0.0026316 k( 248) = ( 0.2846486 -0.3691863 -0.7493580), wk = 0.0026316 k( 249) = ( 0.2898240 -0.3758988 -0.7629827), wk = 0.0026316 k( 250) = ( 0.2949994 -0.3826112 -0.7766074), wk = 0.0026316 k( 251) = ( 0.3001748 -0.3893237 -0.7902321), wk = 0.0026316 k( 252) = ( 0.3053503 -0.3960362 -0.8038568), wk = 0.0026316 k( 253) = ( 0.3105257 -0.4027487 -0.8174815), wk = 0.0026316 k( 254) = ( 0.3157011 -0.4094611 -0.8311062), wk = 0.0026316 k( 255) = ( 0.3208766 -0.4161736 -0.8447309), wk = 0.0026316 k( 256) = ( 0.3260520 -0.4228861 -0.8583556), wk = 0.0026316 k( 257) = ( 0.3312274 -0.4295986 -0.8719803), wk = 0.0026316 k( 258) = ( 0.3364028 -0.4363111 -0.8856050), wk = 0.0026316 k( 259) = ( 0.3415783 -0.4430235 -0.8992296), wk = 0.0026316 k( 260) = ( 0.3467537 -0.4497360 -0.9128543), wk = 0.0026316 k( 261) = ( 0.6532463 -0.2793624 -0.8068640), wk = 0.0026316 k( 262) = ( 0.6481381 -0.2643712 -0.8068640), wk = 0.0026316 k( 263) = ( 0.6430299 -0.2493800 -0.8068640), wk = 0.0026316 k( 264) = ( 0.6379217 -0.2343888 -0.8068640), wk = 0.0026316 k( 265) = ( 0.6328135 -0.2193976 -0.8068640), wk = 0.0026316 k( 266) = ( 0.6277052 -0.2044064 -0.8068640), wk = 0.0026316 k( 267) = ( 0.6225970 -0.1894152 -0.8068640), wk = 0.0026316 k( 268) = ( 0.6174888 -0.1744240 -0.8068640), wk = 0.0026316 k( 269) = ( 0.6123806 -0.1594328 -0.8068640), wk = 0.0026316 k( 270) = ( 0.6072724 -0.1444416 -0.8068640), wk = 0.0026316 k( 271) = ( 0.6021642 -0.1294504 -0.8068640), wk = 0.0026316 k( 272) = ( 0.5970560 -0.1144592 -0.8068640), wk = 0.0026316 k( 273) = ( 0.5919478 -0.0994680 -0.8068640), wk = 0.0026316 k( 274) = ( 0.5868396 -0.0844768 -0.8068640), wk = 0.0026316 k( 275) = ( 0.5817314 -0.0694856 -0.8068640), wk = 0.0026316 k( 276) = ( 0.5766231 -0.0544944 -0.8068640), wk = 0.0026316 k( 277) = ( 0.5715149 -0.0395032 -0.8068640), wk = 0.0026316 k( 278) = ( 0.5664067 -0.0245120 -0.8068640), wk = 0.0026316 k( 279) = ( 0.5612985 -0.0095208 -0.8068640), wk = 0.0026316 k( 280) = ( 0.5561903 0.0054704 -0.8068640), wk = 0.0026316 k( 281) = ( 0.5510821 0.0204616 -0.8068640), wk = 0.0026316 k( 282) = ( 0.5459739 0.0354528 -0.8068640), wk = 0.0026316 k( 283) = ( 0.5408657 0.0504440 -0.8068640), wk = 0.0026316 k( 284) = ( 0.5357575 0.0654352 -0.8068640), wk = 0.0026316 k( 285) = ( 0.5306493 0.0804264 -0.8068640), wk = 0.0026316 k( 286) = ( 0.5255410 0.0954176 -0.8068640), wk = 0.0026316 k( 287) = ( 0.5204328 0.1104088 -0.8068640), wk = 0.0026316 k( 288) = ( 0.5153246 0.1254000 -0.8068640), wk = 0.0026316 k( 289) = ( 0.5102164 0.1403912 -0.8068640), wk = 0.0026316 k( 290) = ( 0.5051082 0.1553824 -0.8068640), wk = 0.0026316 k( 291) = ( 0.5000000 0.1703736 -0.8068640), wk = 0.0026316 k( 292) = ( 0.5000000 0.1703736 -0.8068640), wk = 0.0026316 k( 293) = ( 0.5127705 0.1747251 -0.7980315), wk = 0.0026316 k( 294) = ( 0.5255410 0.1790767 -0.7891990), wk = 0.0026316 k( 295) = ( 0.5383116 0.1834282 -0.7803664), wk = 0.0026316 k( 296) = ( 0.5510821 0.1877797 -0.7715339), wk = 0.0026316 k( 297) = ( 0.5638526 0.1921312 -0.7627014), wk = 0.0026316 k( 298) = ( 0.5766231 0.1964827 -0.7538689), wk = 0.0026316 k( 299) = ( 0.5893937 0.2008343 -0.7450363), wk = 0.0026316 k( 300) = ( 0.6021642 0.2051858 -0.7362038), wk = 0.0026316 k( 301) = ( 0.6149347 0.2095373 -0.7273713), wk = 0.0026316 k( 302) = ( 0.6277052 0.2138888 -0.7185388), wk = 0.0026316 k( 303) = ( 0.6404758 0.2182403 -0.7097062), wk = 0.0026316 k( 304) = ( 0.6532463 0.2225919 -0.7008737), wk = 0.0026316 k( 305) = ( 0.6532463 0.2225919 -0.7008737), wk = 0.0026316 k( 306) = ( 0.6502415 0.2215680 -0.6850529), wk = 0.0026316 k( 307) = ( 0.6472366 0.2205441 -0.6692320), wk = 0.0026316 k( 308) = ( 0.6442318 0.2195202 -0.6534111), wk = 0.0026316 k( 309) = ( 0.6412270 0.2184963 -0.6375903), wk = 0.0026316 k( 310) = ( 0.6382222 0.2174724 -0.6217694), wk = 0.0026316 k( 311) = ( 0.6352173 0.2164485 -0.6059485), wk = 0.0026316 k( 312) = ( 0.6322125 0.2154246 -0.5901277), wk = 0.0026316 k( 313) = ( 0.6292077 0.2144008 -0.5743068), wk = 0.0026316 k( 314) = ( 0.6262028 0.2133769 -0.5584859), wk = 0.0026316 k( 315) = ( 0.6231980 0.2123530 -0.5426651), wk = 0.0026316 k( 316) = ( 0.6201932 0.2113291 -0.5268442), wk = 0.0026316 k( 317) = ( 0.6171883 0.2103052 -0.5110234), wk = 0.0026316 k( 318) = ( 0.6141835 0.2092813 -0.4952025), wk = 0.0026316 k( 319) = ( 0.6111787 0.2082574 -0.4793816), wk = 0.0026316 k( 320) = ( 0.6081739 0.2072336 -0.4635608), wk = 0.0026316 k( 321) = ( 0.6051690 0.2062097 -0.4477399), wk = 0.0026316 k( 322) = ( 0.6021642 0.2051858 -0.4319191), wk = 0.0026316 k( 323) = ( 0.5991594 0.2041619 -0.4160982), wk = 0.0026316 k( 324) = ( 0.5961545 0.2031380 -0.4002773), wk = 0.0026316 k( 325) = ( 0.5931497 0.2021141 -0.3844565), wk = 0.0026316 k( 326) = ( 0.5901449 0.2010902 -0.3686356), wk = 0.0026316 k( 327) = ( 0.5871401 0.2000663 -0.3528147), wk = 0.0026316 k( 328) = ( 0.5841352 0.1990425 -0.3369939), wk = 0.0026316 k( 329) = ( 0.5811304 0.1980186 -0.3211730), wk = 0.0026316 k( 330) = ( 0.5781256 0.1969947 -0.3053521), wk = 0.0026316 k( 331) = ( 0.5751207 0.1959708 -0.2895313), wk = 0.0026316 k( 332) = ( 0.5721159 0.1949469 -0.2737104), wk = 0.0026316 k( 333) = ( 0.5691111 0.1939230 -0.2578895), wk = 0.0026316 k( 334) = ( 0.5661063 0.1928991 -0.2420687), wk = 0.0026316 k( 335) = ( 0.5631014 0.1918752 -0.2262478), wk = 0.0026316 k( 336) = ( 0.5600966 0.1908514 -0.2104270), wk = 0.0026316 k( 337) = ( 0.5570918 0.1898275 -0.1946061), wk = 0.0026316 k( 338) = ( 0.5540869 0.1888036 -0.1787852), wk = 0.0026316 k( 339) = ( 0.5510821 0.1877797 -0.1629644), wk = 0.0026316 k( 340) = ( 0.5480773 0.1867558 -0.1471435), wk = 0.0026316 k( 341) = ( 0.5450724 0.1857319 -0.1313226), wk = 0.0026316 k( 342) = ( 0.5420676 0.1847080 -0.1155018), wk = 0.0026316 k( 343) = ( 0.5390628 0.1836841 -0.0996809), wk = 0.0026316 k( 344) = ( 0.5360580 0.1826603 -0.0838600), wk = 0.0026316 k( 345) = ( 0.5330531 0.1816364 -0.0680392), wk = 0.0026316 k( 346) = ( 0.5300483 0.1806125 -0.0522183), wk = 0.0026316 k( 347) = ( 0.5270435 0.1795886 -0.0363975), wk = 0.0026316 k( 348) = ( 0.5240386 0.1785647 -0.0205766), wk = 0.0026316 k( 349) = ( 0.5210338 0.1775408 -0.0047557), wk = 0.0026316 k( 350) = ( 0.5180290 0.1765169 0.0110651), wk = 0.0026316 k( 351) = ( 0.5150242 0.1754930 0.0268860), wk = 0.0026316 k( 352) = ( 0.5120193 0.1744692 0.0427069), wk = 0.0026316 k( 353) = ( 0.5090145 0.1734453 0.0585277), wk = 0.0026316 k( 354) = ( 0.5060097 0.1724214 0.0743486), wk = 0.0026316 k( 355) = ( 0.5030048 0.1713975 0.0901694), wk = 0.0026316 k( 356) = ( 0.5000000 0.1703736 0.1059903), wk = 0.0026316 k( 357) = ( 0.5000000 -0.6484949 -0.4034320), wk = 0.0026316 k( 358) = ( 0.5133258 -0.6410873 -0.3988237), wk = 0.0026316 k( 359) = ( 0.5266515 -0.6336798 -0.3942155), wk = 0.0026316 k( 360) = ( 0.5399773 -0.6262723 -0.3896072), wk = 0.0026316 k( 361) = ( 0.5533031 -0.6188647 -0.3849989), wk = 0.0026316 k( 362) = ( 0.5666288 -0.6114571 -0.3803906), wk = 0.0026316 k( 363) = ( 0.5799546 -0.6040496 -0.3757824), wk = 0.0026316 k( 364) = ( 0.5932804 -0.5966420 -0.3711741), wk = 0.0026316 k( 365) = ( 0.6066061 -0.5892345 -0.3665658), wk = 0.0026316 k( 366) = ( 0.6199319 -0.5818270 -0.3619575), wk = 0.0026316 k( 367) = ( 0.6332577 -0.5744194 -0.3573493), wk = 0.0026316 k( 368) = ( 0.6465834 -0.5670119 -0.3527410), wk = 0.0026316 k( 369) = ( 0.6599092 -0.5596043 -0.3481327), wk = 0.0026316 k( 370) = ( 0.6732349 -0.5521968 -0.3435245), wk = 0.0026316 k( 371) = ( 0.6865607 -0.5447892 -0.3389162), wk = 0.0026316 k( 372) = ( 0.6998865 -0.5373817 -0.3343079), wk = 0.0026316 k( 373) = ( 0.7132122 -0.5299741 -0.3296996), wk = 0.0026316 k( 374) = ( 0.7265380 -0.5225666 -0.3250913), wk = 0.0026316 k( 375) = ( 0.7398638 -0.5151590 -0.3204831), wk = 0.0026316 k( 376) = ( 0.7531895 -0.5077515 -0.3158748), wk = 0.0026316 k( 377) = ( 0.7665153 -0.5003439 -0.3112665), wk = 0.0026316 k( 378) = ( 0.7798411 -0.4929364 -0.3066583), wk = 0.0026316 k( 379) = ( 0.7931668 -0.4855288 -0.3020500), wk = 0.0026316 k( 380) = ( 0.8064926 -0.4781213 -0.2974417), wk = 0.0026316 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026316 k( 2) = ( 0.0087719 -0.0000000 -0.0000000), wk = 0.0026316 k( 3) = ( 0.0175439 -0.0000000 -0.0000000), wk = 0.0026316 k( 4) = ( 0.0263158 -0.0000000 -0.0000000), wk = 0.0026316 k( 5) = ( 0.0350877 -0.0000000 -0.0000000), wk = 0.0026316 k( 6) = ( 0.0438597 -0.0000000 -0.0000000), wk = 0.0026316 k( 7) = ( 0.0526316 -0.0000000 -0.0000000), wk = 0.0026316 k( 8) = ( 0.0614035 -0.0000000 -0.0000000), wk = 0.0026316 k( 9) = ( 0.0701754 -0.0000000 -0.0000000), wk = 0.0026316 k( 10) = ( 0.0789474 0.0000000 -0.0000000), wk = 0.0026316 k( 11) = ( 0.0877193 -0.0000000 -0.0000000), wk = 0.0026316 k( 12) = ( 0.0964912 -0.0000000 -0.0000000), wk = 0.0026316 k( 13) = ( 0.1052632 -0.0000000 -0.0000000), wk = 0.0026316 k( 14) = ( 0.1140351 -0.0000000 -0.0000000), wk = 0.0026316 k( 15) = ( 0.1228070 -0.0000000 -0.0000000), wk = 0.0026316 k( 16) = ( 0.1315790 -0.0000000 -0.0000000), wk = 0.0026316 k( 17) = ( 0.1403509 -0.0000000 -0.0000000), wk = 0.0026316 k( 18) = ( 0.1491228 -0.0000000 -0.0000000), wk = 0.0026316 k( 19) = ( 0.1578947 0.0000000 -0.0000000), wk = 0.0026316 k( 20) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0026316 k( 21) = ( 0.1754386 -0.0000000 -0.0000000), wk = 0.0026316 k( 22) = ( 0.1842105 -0.0000000 -0.0000000), wk = 0.0026316 k( 23) = ( 0.1929825 -0.0000000 -0.0000000), wk = 0.0026316 k( 24) = ( 0.2017544 -0.0000000 -0.0000000), wk = 0.0026316 k( 25) = ( 0.2105263 -0.0000000 -0.0000000), wk = 0.0026316 k( 26) = ( 0.2192983 -0.0000000 -0.0000000), wk = 0.0026316 k( 27) = ( 0.2280702 -0.0000000 -0.0000000), wk = 0.0026316 k( 28) = ( 0.2368421 -0.0000000 -0.0000000), wk = 0.0026316 k( 29) = ( 0.2456140 -0.0000000 -0.0000000), wk = 0.0026316 k( 30) = ( 0.2543860 -0.0000000 -0.0000000), wk = 0.0026316 k( 31) = ( 0.2631579 -0.0000000 -0.0000000), wk = 0.0026316 k( 32) = ( 0.2719298 0.0000000 -0.0000000), wk = 0.0026316 k( 33) = ( 0.2807018 -0.0000000 -0.0000000), wk = 0.0026316 k( 34) = ( 0.2894737 -0.0000000 -0.0000000), wk = 0.0026316 k( 35) = ( 0.2982456 -0.0000000 -0.0000000), wk = 0.0026316 k( 36) = ( 0.3070175 0.0000000 -0.0000000), wk = 0.0026316 k( 37) = ( 0.3157895 -0.0000000 -0.0000000), wk = 0.0026316 k( 38) = ( 0.3245614 -0.0000000 -0.0000000), wk = 0.0026316 k( 39) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0026316 k( 40) = ( 0.3421053 -0.0000000 -0.0000000), wk = 0.0026316 k( 41) = ( 0.3508772 -0.0000000 -0.0000000), wk = 0.0026316 k( 42) = ( 0.3596491 -0.0000000 -0.0000000), wk = 0.0026316 k( 43) = ( 0.3684211 -0.0000000 -0.0000000), wk = 0.0026316 k( 44) = ( 0.3771930 0.0000000 -0.0000000), wk = 0.0026316 k( 45) = ( 0.3859649 0.0000000 -0.0000000), wk = 0.0026316 k( 46) = ( 0.3947368 -0.0000000 -0.0000000), wk = 0.0026316 k( 47) = ( 0.4035088 0.0000000 -0.0000000), wk = 0.0026316 k( 48) = ( 0.4122807 -0.0000000 -0.0000000), wk = 0.0026316 k( 49) = ( 0.4210526 -0.0000000 -0.0000000), wk = 0.0026316 k( 50) = ( 0.4298246 -0.0000000 -0.0000000), wk = 0.0026316 k( 51) = ( 0.4385965 -0.0000000 -0.0000000), wk = 0.0026316 k( 52) = ( 0.4473684 -0.0000000 -0.0000000), wk = 0.0026316 k( 53) = ( 0.4561404 -0.0000000 -0.0000000), wk = 0.0026316 k( 54) = ( 0.4649123 -0.0000000 -0.0000000), wk = 0.0026316 k( 55) = ( 0.4736842 -0.0000000 -0.0000000), wk = 0.0026316 k( 56) = ( 0.4824561 -0.0000000 -0.0000000), wk = 0.0026316 k( 57) = ( 0.4912281 -0.0000000 -0.0000000), wk = 0.0026316 k( 58) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0026316 k( 59) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0026316 k( 60) = ( 0.5000000 0.0050923 -0.0050923), wk = 0.0026316 k( 61) = ( 0.5000000 0.0101846 -0.0101846), wk = 0.0026316 k( 62) = ( 0.5000000 0.0152769 -0.0152769), wk = 0.0026316 k( 63) = ( 0.5000000 0.0203692 -0.0203692), wk = 0.0026316 k( 64) = ( 0.5000000 0.0254615 -0.0254615), wk = 0.0026316 k( 65) = ( 0.5000000 0.0305538 -0.0305538), wk = 0.0026316 k( 66) = ( 0.5000000 0.0356461 -0.0356461), wk = 0.0026316 k( 67) = ( 0.5000000 0.0407384 -0.0407384), wk = 0.0026316 k( 68) = ( 0.5000000 0.0458307 -0.0458307), wk = 0.0026316 k( 69) = ( 0.5000000 0.0509230 -0.0509230), wk = 0.0026316 k( 70) = ( 0.5000000 0.0560153 -0.0560153), wk = 0.0026316 k( 71) = ( 0.5000000 0.0611076 -0.0611076), wk = 0.0026316 k( 72) = ( 0.5000000 0.0661999 -0.0661999), wk = 0.0026316 k( 73) = ( 0.5000000 0.0712922 -0.0712922), wk = 0.0026316 k( 74) = ( 0.5000000 0.0763845 -0.0763845), wk = 0.0026316 k( 75) = ( 0.5000000 0.0814768 -0.0814768), wk = 0.0026316 k( 76) = ( 0.5000000 0.0865691 -0.0865691), wk = 0.0026316 k( 77) = ( 0.5000000 0.0916614 -0.0916614), wk = 0.0026316 k( 78) = ( 0.5000000 0.0967537 -0.0967537), wk = 0.0026316 k( 79) = ( 0.5000000 0.1018460 -0.1018460), wk = 0.0026316 k( 80) = ( 0.5000000 0.1069383 -0.1069383), wk = 0.0026316 k( 81) = ( 0.5000000 0.1120306 -0.1120306), wk = 0.0026316 k( 82) = ( 0.5000000 0.1171229 -0.1171229), wk = 0.0026316 k( 83) = ( 0.5000000 0.1222152 -0.1222152), wk = 0.0026316 k( 84) = ( 0.5000000 0.1273075 -0.1273075), wk = 0.0026316 k( 85) = ( 0.5000000 0.1323998 -0.1323998), wk = 0.0026316 k( 86) = ( 0.5000000 0.1374921 -0.1374921), wk = 0.0026316 k( 87) = ( 0.5000000 0.1425844 -0.1425844), wk = 0.0026316 k( 88) = ( 0.5000000 0.1476767 -0.1476767), wk = 0.0026316 k( 89) = ( 0.5000000 0.1527690 -0.1527690), wk = 0.0026316 k( 90) = ( 0.5000000 0.1578613 -0.1578613), wk = 0.0026316 k( 91) = ( 0.5000000 0.1629536 -0.1629536), wk = 0.0026316 k( 92) = ( 0.5000000 0.1680459 -0.1680459), wk = 0.0026316 k( 93) = ( 0.5000000 0.1731382 -0.1731382), wk = 0.0026316 k( 94) = ( 0.5000000 0.1782305 -0.1782305), wk = 0.0026316 k( 95) = ( 0.5000000 0.1833228 -0.1833228), wk = 0.0026316 k( 96) = ( 0.5000000 0.1884151 -0.1884151), wk = 0.0026316 k( 97) = ( 0.5000000 0.1935074 -0.1935074), wk = 0.0026316 k( 98) = ( 0.8064926 0.5000000 0.1935074), wk = 0.0026316 k( 99) = ( 0.8012978 0.5000000 0.1987022), wk = 0.0026316 k( 100) = ( 0.7961030 0.5000000 0.2038970), wk = 0.0026316 k( 101) = ( 0.7909082 0.5000000 0.2090918), wk = 0.0026316 k( 102) = ( 0.7857134 0.5000000 0.2142866), wk = 0.0026316 k( 103) = ( 0.7805186 0.5000000 0.2194814), wk = 0.0026316 k( 104) = ( 0.7753239 0.5000000 0.2246761), wk = 0.0026316 k( 105) = ( 0.7701291 0.5000000 0.2298709), wk = 0.0026316 k( 106) = ( 0.7649343 0.5000000 0.2350657), wk = 0.0026316 k( 107) = ( 0.7597395 0.5000000 0.2402605), wk = 0.0026316 k( 108) = ( 0.7545447 0.5000000 0.2454553), wk = 0.0026316 k( 109) = ( 0.7493499 0.5000000 0.2506501), wk = 0.0026316 k( 110) = ( 0.7441551 0.5000000 0.2558449), wk = 0.0026316 k( 111) = ( 0.7389603 0.5000000 0.2610397), wk = 0.0026316 k( 112) = ( 0.7337655 0.5000000 0.2662345), wk = 0.0026316 k( 113) = ( 0.7285708 0.5000000 0.2714292), wk = 0.0026316 k( 114) = ( 0.7233760 0.5000000 0.2766240), wk = 0.0026316 k( 115) = ( 0.7181812 0.5000000 0.2818188), wk = 0.0026316 k( 116) = ( 0.7129864 0.5000000 0.2870136), wk = 0.0026316 k( 117) = ( 0.7077916 0.5000000 0.2922084), wk = 0.0026316 k( 118) = ( 0.7025968 0.5000000 0.2974032), wk = 0.0026316 k( 119) = ( 0.6974020 0.5000000 0.3025980), wk = 0.0026316 k( 120) = ( 0.6922072 0.5000000 0.3077928), wk = 0.0026316 k( 121) = ( 0.6870124 0.5000000 0.3129876), wk = 0.0026316 k( 122) = ( 0.6818176 0.5000000 0.3181824), wk = 0.0026316 k( 123) = ( 0.6766228 0.5000000 0.3233772), wk = 0.0026316 k( 124) = ( 0.6714281 0.5000000 0.3285719), wk = 0.0026316 k( 125) = ( 0.6662333 0.5000000 0.3337667), wk = 0.0026316 k( 126) = ( 0.6610385 0.5000000 0.3389615), wk = 0.0026316 k( 127) = ( 0.6558437 0.5000000 0.3441563), wk = 0.0026316 k( 128) = ( 0.6506489 0.5000000 0.3493511), wk = 0.0026316 k( 129) = ( 0.6454541 0.5000000 0.3545459), wk = 0.0026316 k( 130) = ( 0.6402593 0.5000000 0.3597407), wk = 0.0026316 k( 131) = ( 0.6350645 0.5000000 0.3649355), wk = 0.0026316 k( 132) = ( 0.6298697 0.5000000 0.3701303), wk = 0.0026316 k( 133) = ( 0.6246749 0.5000000 0.3753250), wk = 0.0026316 k( 134) = ( 0.6194802 0.5000000 0.3805198), wk = 0.0026316 k( 135) = ( 0.6142854 0.5000000 0.3857146), wk = 0.0026316 k( 136) = ( 0.6090906 0.5000000 0.3909094), wk = 0.0026316 k( 137) = ( 0.6038958 0.5000000 0.3961042), wk = 0.0026316 k( 138) = ( 0.5987010 0.5000000 0.4012990), wk = 0.0026316 k( 139) = ( 0.5935062 0.5000000 0.4064938), wk = 0.0026316 k( 140) = ( 0.5883114 0.5000000 0.4116886), wk = 0.0026316 k( 141) = ( 0.5831166 0.5000000 0.4168834), wk = 0.0026316 k( 142) = ( 0.5779218 0.5000000 0.4220781), wk = 0.0026316 k( 143) = ( 0.5727271 0.5000000 0.4272729), wk = 0.0026316 k( 144) = ( 0.5675323 0.5000000 0.4324677), wk = 0.0026316 k( 145) = ( 0.5623375 0.5000000 0.4376625), wk = 0.0026316 k( 146) = ( 0.5571427 0.5000000 0.4428573), wk = 0.0026316 k( 147) = ( 0.5519479 0.5000000 0.4480521), wk = 0.0026316 k( 148) = ( 0.5467531 0.5000000 0.4532469), wk = 0.0026316 k( 149) = ( 0.5415583 0.5000000 0.4584417), wk = 0.0026316 k( 150) = ( 0.5363635 0.5000000 0.4636365), wk = 0.0026316 k( 151) = ( 0.5311687 0.5000000 0.4688313), wk = 0.0026316 k( 152) = ( 0.5259740 0.5000000 0.4740260), wk = 0.0026316 k( 153) = ( 0.5207792 0.5000000 0.4792208), wk = 0.0026316 k( 154) = ( 0.5155844 0.5000000 0.4844156), wk = 0.0026316 k( 155) = ( 0.5103896 0.5000000 0.4896104), wk = 0.0026316 k( 156) = ( 0.5051948 0.5000000 0.4948052), wk = 0.0026316 k( 157) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026316 k( 158) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026316 k( 159) = ( 0.4852941 0.4852941 0.4852941), wk = 0.0026316 k( 160) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0026316 k( 161) = ( 0.4558823 0.4558823 0.4558823), wk = 0.0026316 k( 162) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0026316 k( 163) = ( 0.4264706 0.4264706 0.4264706), wk = 0.0026316 k( 164) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0026316 k( 165) = ( 0.3970588 0.3970588 0.3970588), wk = 0.0026316 k( 166) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0026316 k( 167) = ( 0.3676471 0.3676471 0.3676471), wk = 0.0026316 k( 168) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0026316 k( 169) = ( 0.3382353 0.3382353 0.3382353), wk = 0.0026316 k( 170) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0026316 k( 171) = ( 0.3088235 0.3088235 0.3088235), wk = 0.0026316 k( 172) = ( 0.2941177 0.2941177 0.2941177), wk = 0.0026316 k( 173) = ( 0.2794118 0.2794118 0.2794118), wk = 0.0026316 k( 174) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0026316 k( 175) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026316 k( 176) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0026316 k( 177) = ( 0.2205882 0.2205882 0.2205882), wk = 0.0026316 k( 178) = ( 0.2058823 0.2058823 0.2058823), wk = 0.0026316 k( 179) = ( 0.1911765 0.1911765 0.1911765), wk = 0.0026316 k( 180) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0026316 k( 181) = ( 0.1617647 0.1617647 0.1617647), wk = 0.0026316 k( 182) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0026316 k( 183) = ( 0.1323529 0.1323529 0.1323529), wk = 0.0026316 k( 184) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0026316 k( 185) = ( 0.1029412 0.1029412 0.1029412), wk = 0.0026316 k( 186) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0026316 k( 187) = ( 0.0735294 0.0735294 0.0735294), wk = 0.0026316 k( 188) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0026316 k( 189) = ( 0.0441177 0.0441177 0.0441177), wk = 0.0026316 k( 190) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0026316 k( 191) = ( 0.0147059 0.0147059 0.0147059), wk = 0.0026316 k( 192) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026316 k( 193) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026316 k( 194) = ( 0.0051754 -0.0000000 -0.0051754), wk = 0.0026316 k( 195) = ( 0.0103509 -0.0000000 -0.0103509), wk = 0.0026316 k( 196) = ( 0.0155263 -0.0000000 -0.0155263), wk = 0.0026316 k( 197) = ( 0.0207017 -0.0000000 -0.0207017), wk = 0.0026316 k( 198) = ( 0.0258771 -0.0000000 -0.0258771), wk = 0.0026316 k( 199) = ( 0.0310526 -0.0000000 -0.0310526), wk = 0.0026316 k( 200) = ( 0.0362280 -0.0000000 -0.0362280), wk = 0.0026316 k( 201) = ( 0.0414034 -0.0000000 -0.0414034), wk = 0.0026316 k( 202) = ( 0.0465789 -0.0000000 -0.0465789), wk = 0.0026316 k( 203) = ( 0.0517543 -0.0000000 -0.0517543), wk = 0.0026316 k( 204) = ( 0.0569297 -0.0000000 -0.0569297), wk = 0.0026316 k( 205) = ( 0.0621051 -0.0000000 -0.0621051), wk = 0.0026316 k( 206) = ( 0.0672806 -0.0000000 -0.0672806), wk = 0.0026316 k( 207) = ( 0.0724560 -0.0000000 -0.0724560), wk = 0.0026316 k( 208) = ( 0.0776314 -0.0000000 -0.0776314), wk = 0.0026316 k( 209) = ( 0.0828069 -0.0000000 -0.0828069), wk = 0.0026316 k( 210) = ( 0.0879823 -0.0000000 -0.0879823), wk = 0.0026316 k( 211) = ( 0.0931577 -0.0000000 -0.0931577), wk = 0.0026316 k( 212) = ( 0.0983331 -0.0000000 -0.0983331), wk = 0.0026316 k( 213) = ( 0.1035086 0.0000000 -0.1035086), wk = 0.0026316 k( 214) = ( 0.1086840 -0.0000000 -0.1086840), wk = 0.0026316 k( 215) = ( 0.1138594 -0.0000000 -0.1138594), wk = 0.0026316 k( 216) = ( 0.1190348 0.0000000 -0.1190349), wk = 0.0026316 k( 217) = ( 0.1242103 -0.0000000 -0.1242103), wk = 0.0026316 k( 218) = ( 0.1293857 -0.0000000 -0.1293857), wk = 0.0026316 k( 219) = ( 0.1345611 -0.0000000 -0.1345611), wk = 0.0026316 k( 220) = ( 0.1397366 -0.0000000 -0.1397366), wk = 0.0026316 k( 221) = ( 0.1449120 -0.0000000 -0.1449120), wk = 0.0026316 k( 222) = ( 0.1500874 -0.0000000 -0.1500874), wk = 0.0026316 k( 223) = ( 0.1552629 -0.0000000 -0.1552629), wk = 0.0026316 k( 224) = ( 0.1604383 0.0000000 -0.1604383), wk = 0.0026316 k( 225) = ( 0.1656137 0.0000000 -0.1656137), wk = 0.0026316 k( 226) = ( 0.1707891 -0.0000000 -0.1707891), wk = 0.0026316 k( 227) = ( 0.1759646 -0.0000000 -0.1759646), wk = 0.0026316 k( 228) = ( 0.1811400 -0.0000000 -0.1811400), wk = 0.0026316 k( 229) = ( 0.1863154 -0.0000000 -0.1863154), wk = 0.0026316 k( 230) = ( 0.1914908 -0.0000000 -0.1914909), wk = 0.0026316 k( 231) = ( 0.1966663 -0.0000000 -0.1966663), wk = 0.0026316 k( 232) = ( 0.2018417 -0.0000000 -0.2018417), wk = 0.0026316 k( 233) = ( 0.2070171 0.0000000 -0.2070171), wk = 0.0026316 k( 234) = ( 0.2121926 -0.0000000 -0.2121926), wk = 0.0026316 k( 235) = ( 0.2173680 -0.0000000 -0.2173680), wk = 0.0026316 k( 236) = ( 0.2225434 -0.0000000 -0.2225434), wk = 0.0026316 k( 237) = ( 0.2277189 -0.0000000 -0.2277189), wk = 0.0026316 k( 238) = ( 0.2328943 -0.0000000 -0.2328943), wk = 0.0026316 k( 239) = ( 0.2380697 -0.0000000 -0.2380697), wk = 0.0026316 k( 240) = ( 0.2432451 -0.0000000 -0.2432451), wk = 0.0026316 k( 241) = ( 0.2484206 -0.0000000 -0.2484206), wk = 0.0026316 k( 242) = ( 0.2535960 -0.0000000 -0.2535960), wk = 0.0026316 k( 243) = ( 0.2587714 -0.0000000 -0.2587714), wk = 0.0026316 k( 244) = ( 0.2639469 -0.0000000 -0.2639469), wk = 0.0026316 k( 245) = ( 0.2691223 -0.0000000 -0.2691223), wk = 0.0026316 k( 246) = ( 0.2742977 -0.0000000 -0.2742977), wk = 0.0026316 k( 247) = ( 0.2794731 0.0000000 -0.2794731), wk = 0.0026316 k( 248) = ( 0.2846486 -0.0000000 -0.2846486), wk = 0.0026316 k( 249) = ( 0.2898240 -0.0000000 -0.2898240), wk = 0.0026316 k( 250) = ( 0.2949994 -0.0000000 -0.2949994), wk = 0.0026316 k( 251) = ( 0.3001748 -0.0000000 -0.3001749), wk = 0.0026316 k( 252) = ( 0.3053503 -0.0000000 -0.3053503), wk = 0.0026316 k( 253) = ( 0.3105257 -0.0000000 -0.3105257), wk = 0.0026316 k( 254) = ( 0.3157011 -0.0000000 -0.3157011), wk = 0.0026316 k( 255) = ( 0.3208766 0.0000000 -0.3208766), wk = 0.0026316 k( 256) = ( 0.3260520 -0.0000000 -0.3260520), wk = 0.0026316 k( 257) = ( 0.3312274 0.0000000 -0.3312274), wk = 0.0026316 k( 258) = ( 0.3364028 -0.0000000 -0.3364028), wk = 0.0026316 k( 259) = ( 0.3415783 -0.0000000 -0.3415783), wk = 0.0026316 k( 260) = ( 0.3467537 -0.0000000 -0.3467537), wk = 0.0026316 k( 261) = ( 0.6532463 0.3467537 -0.0000000), wk = 0.0026316 k( 262) = ( 0.6481381 0.3518619 -0.0000000), wk = 0.0026316 k( 263) = ( 0.6430299 0.3569701 -0.0000000), wk = 0.0026316 k( 264) = ( 0.6379217 0.3620783 -0.0000000), wk = 0.0026316 k( 265) = ( 0.6328135 0.3671865 -0.0000000), wk = 0.0026316 k( 266) = ( 0.6277052 0.3722948 -0.0000000), wk = 0.0026316 k( 267) = ( 0.6225970 0.3774030 -0.0000000), wk = 0.0026316 k( 268) = ( 0.6174888 0.3825112 -0.0000000), wk = 0.0026316 k( 269) = ( 0.6123806 0.3876194 -0.0000000), wk = 0.0026316 k( 270) = ( 0.6072724 0.3927276 -0.0000000), wk = 0.0026316 k( 271) = ( 0.6021642 0.3978358 -0.0000000), wk = 0.0026316 k( 272) = ( 0.5970560 0.4029440 -0.0000000), wk = 0.0026316 k( 273) = ( 0.5919478 0.4080522 -0.0000000), wk = 0.0026316 k( 274) = ( 0.5868396 0.4131604 -0.0000000), wk = 0.0026316 k( 275) = ( 0.5817314 0.4182686 -0.0000000), wk = 0.0026316 k( 276) = ( 0.5766231 0.4233769 -0.0000000), wk = 0.0026316 k( 277) = ( 0.5715149 0.4284851 -0.0000000), wk = 0.0026316 k( 278) = ( 0.5664067 0.4335933 -0.0000000), wk = 0.0026316 k( 279) = ( 0.5612985 0.4387015 -0.0000000), wk = 0.0026316 k( 280) = ( 0.5561903 0.4438097 -0.0000000), wk = 0.0026316 k( 281) = ( 0.5510821 0.4489179 -0.0000000), wk = 0.0026316 k( 282) = ( 0.5459739 0.4540261 -0.0000000), wk = 0.0026316 k( 283) = ( 0.5408657 0.4591343 -0.0000000), wk = 0.0026316 k( 284) = ( 0.5357575 0.4642425 -0.0000000), wk = 0.0026316 k( 285) = ( 0.5306493 0.4693507 -0.0000000), wk = 0.0026316 k( 286) = ( 0.5255410 0.4744589 -0.0000000), wk = 0.0026316 k( 287) = ( 0.5204328 0.4795672 -0.0000000), wk = 0.0026316 k( 288) = ( 0.5153246 0.4846754 -0.0000000), wk = 0.0026316 k( 289) = ( 0.5102164 0.4897836 -0.0000000), wk = 0.0026316 k( 290) = ( 0.5051082 0.4948918 -0.0000000), wk = 0.0026316 k( 291) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026316 k( 292) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026316 k( 293) = ( 0.5127705 0.5127705 0.0161256), wk = 0.0026316 k( 294) = ( 0.5255410 0.5255410 0.0322512), wk = 0.0026316 k( 295) = ( 0.5383116 0.5383116 0.0483768), wk = 0.0026316 k( 296) = ( 0.5510821 0.5510821 0.0645025), wk = 0.0026316 k( 297) = ( 0.5638526 0.5638526 0.0806281), wk = 0.0026316 k( 298) = ( 0.5766231 0.5766231 0.0967537), wk = 0.0026316 k( 299) = ( 0.5893937 0.5893937 0.1128793), wk = 0.0026316 k( 300) = ( 0.6021642 0.6021642 0.1290049), wk = 0.0026316 k( 301) = ( 0.6149347 0.6149347 0.1451306), wk = 0.0026316 k( 302) = ( 0.6277052 0.6277052 0.1612562), wk = 0.0026316 k( 303) = ( 0.6404758 0.6404758 0.1773818), wk = 0.0026316 k( 304) = ( 0.6532463 0.6532463 0.1935074), wk = 0.0026316 k( 305) = ( 0.6532463 0.6532463 0.1935074), wk = 0.0026316 k( 306) = ( 0.6502415 0.6502415 0.1995171), wk = 0.0026316 k( 307) = ( 0.6472366 0.6472366 0.2055267), wk = 0.0026316 k( 308) = ( 0.6442318 0.6442318 0.2115364), wk = 0.0026316 k( 309) = ( 0.6412270 0.6412270 0.2175460), wk = 0.0026316 k( 310) = ( 0.6382222 0.6382222 0.2235557), wk = 0.0026316 k( 311) = ( 0.6352173 0.6352173 0.2295654), wk = 0.0026316 k( 312) = ( 0.6322125 0.6322125 0.2355750), wk = 0.0026316 k( 313) = ( 0.6292077 0.6292077 0.2415847), wk = 0.0026316 k( 314) = ( 0.6262028 0.6262028 0.2475943), wk = 0.0026316 k( 315) = ( 0.6231980 0.6231980 0.2536040), wk = 0.0026316 k( 316) = ( 0.6201932 0.6201932 0.2596136), wk = 0.0026316 k( 317) = ( 0.6171883 0.6171883 0.2656233), wk = 0.0026316 k( 318) = ( 0.6141835 0.6141835 0.2716330), wk = 0.0026316 k( 319) = ( 0.6111787 0.6111787 0.2776426), wk = 0.0026316 k( 320) = ( 0.6081739 0.6081739 0.2836523), wk = 0.0026316 k( 321) = ( 0.6051690 0.6051690 0.2896620), wk = 0.0026316 k( 322) = ( 0.6021642 0.6021642 0.2956716), wk = 0.0026316 k( 323) = ( 0.5991594 0.5991594 0.3016813), wk = 0.0026316 k( 324) = ( 0.5961545 0.5961545 0.3076909), wk = 0.0026316 k( 325) = ( 0.5931497 0.5931497 0.3137006), wk = 0.0026316 k( 326) = ( 0.5901449 0.5901449 0.3197102), wk = 0.0026316 k( 327) = ( 0.5871401 0.5871401 0.3257199), wk = 0.0026316 k( 328) = ( 0.5841352 0.5841352 0.3317296), wk = 0.0026316 k( 329) = ( 0.5811304 0.5811304 0.3377392), wk = 0.0026316 k( 330) = ( 0.5781256 0.5781256 0.3437489), wk = 0.0026316 k( 331) = ( 0.5751207 0.5751207 0.3497585), wk = 0.0026316 k( 332) = ( 0.5721159 0.5721159 0.3557682), wk = 0.0026316 k( 333) = ( 0.5691111 0.5691111 0.3617779), wk = 0.0026316 k( 334) = ( 0.5661063 0.5661063 0.3677875), wk = 0.0026316 k( 335) = ( 0.5631014 0.5631014 0.3737972), wk = 0.0026316 k( 336) = ( 0.5600966 0.5600966 0.3798068), wk = 0.0026316 k( 337) = ( 0.5570918 0.5570918 0.3858165), wk = 0.0026316 k( 338) = ( 0.5540869 0.5540869 0.3918261), wk = 0.0026316 k( 339) = ( 0.5510821 0.5510821 0.3978358), wk = 0.0026316 k( 340) = ( 0.5480773 0.5480773 0.4038455), wk = 0.0026316 k( 341) = ( 0.5450724 0.5450724 0.4098551), wk = 0.0026316 k( 342) = ( 0.5420676 0.5420676 0.4158648), wk = 0.0026316 k( 343) = ( 0.5390628 0.5390628 0.4218744), wk = 0.0026316 k( 344) = ( 0.5360580 0.5360580 0.4278841), wk = 0.0026316 k( 345) = ( 0.5330531 0.5330531 0.4338938), wk = 0.0026316 k( 346) = ( 0.5300483 0.5300483 0.4399034), wk = 0.0026316 k( 347) = ( 0.5270435 0.5270435 0.4459131), wk = 0.0026316 k( 348) = ( 0.5240386 0.5240386 0.4519227), wk = 0.0026316 k( 349) = ( 0.5210338 0.5210338 0.4579324), wk = 0.0026316 k( 350) = ( 0.5180290 0.5180290 0.4639420), wk = 0.0026316 k( 351) = ( 0.5150242 0.5150242 0.4699517), wk = 0.0026316 k( 352) = ( 0.5120193 0.5120193 0.4759614), wk = 0.0026316 k( 353) = ( 0.5090145 0.5090145 0.4819710), wk = 0.0026316 k( 354) = ( 0.5060097 0.5060097 0.4879807), wk = 0.0026316 k( 355) = ( 0.5030048 0.5030048 0.4939903), wk = 0.0026316 k( 356) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026316 k( 357) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0026316 k( 358) = ( 0.5133258 0.0150762 0.0150762), wk = 0.0026316 k( 359) = ( 0.5266515 0.0301525 0.0301525), wk = 0.0026316 k( 360) = ( 0.5399773 0.0452287 0.0452287), wk = 0.0026316 k( 361) = ( 0.5533031 0.0603050 0.0603050), wk = 0.0026316 k( 362) = ( 0.5666288 0.0753812 0.0753812), wk = 0.0026316 k( 363) = ( 0.5799546 0.0904575 0.0904575), wk = 0.0026316 k( 364) = ( 0.5932804 0.1055337 0.1055337), wk = 0.0026316 k( 365) = ( 0.6066061 0.1206100 0.1206100), wk = 0.0026316 k( 366) = ( 0.6199319 0.1356862 0.1356862), wk = 0.0026316 k( 367) = ( 0.6332577 0.1507625 0.1507625), wk = 0.0026316 k( 368) = ( 0.6465834 0.1658387 0.1658387), wk = 0.0026316 k( 369) = ( 0.6599092 0.1809150 0.1809150), wk = 0.0026316 k( 370) = ( 0.6732349 0.1959912 0.1959912), wk = 0.0026316 k( 371) = ( 0.6865607 0.2110675 0.2110675), wk = 0.0026316 k( 372) = ( 0.6998865 0.2261437 0.2261437), wk = 0.0026316 k( 373) = ( 0.7132122 0.2412200 0.2412200), wk = 0.0026316 k( 374) = ( 0.7265380 0.2562962 0.2562962), wk = 0.0026316 k( 375) = ( 0.7398638 0.2713725 0.2713725), wk = 0.0026316 k( 376) = ( 0.7531895 0.2864487 0.2864487), wk = 0.0026316 k( 377) = ( 0.7665153 0.3015250 0.3015250), wk = 0.0026316 k( 378) = ( 0.7798411 0.3166012 0.3166012), wk = 0.0026316 k( 379) = ( 0.7931668 0.3316775 0.3316775), wk = 0.0026316 k( 380) = ( 0.8064926 0.3467537 0.3467537), wk = 0.0026316 Dense grid: 37735 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 18019 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 134, 32) NL pseudopotentials 0.06 Mb ( 67, 56) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1050) G-vector shells 0.01 Mb ( 861) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.26 Mb ( 134, 128) Each subspace H/S matrix 0.02 Mb ( 32, 32) Each matrix 0.05 Mb ( 56, 2, 32) Check: negative/imaginary core charge= -0.000015 0.000000 The potential is recalculated from file : ./MgCN2.save/charge-density.dat Starting wfc are 34 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.2 secs Computing kpt #: 2 total cpu time spent up to now is 3.4 secs Computing kpt #: 3 total cpu time spent up to now is 3.5 secs Computing kpt #: 4 total cpu time spent up to now is 3.7 secs Computing kpt #: 5 total cpu time spent up to now is 3.9 secs Computing kpt #: 6 total cpu time spent up to now is 4.0 secs Computing kpt #: 7 total cpu time spent up to now is 4.2 secs Computing kpt #: 8 total cpu time spent up to now is 4.4 secs Computing kpt #: 9 total cpu time spent up to now is 4.6 secs Computing kpt #: 10 total cpu time spent up to now is 4.8 secs Computing kpt #: 11 total cpu time spent up to now is 4.9 secs Computing kpt #: 12 total cpu time spent up to now is 5.1 secs Computing kpt 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total cpu time spent up to now is 14.2 secs Computing kpt #: 61 total cpu time spent up to now is 14.4 secs Computing kpt #: 62 total cpu time spent up to now is 14.5 secs Computing kpt #: 63 total cpu time spent up to now is 14.7 secs Computing kpt #: 64 total cpu time spent up to now is 14.9 secs Computing kpt #: 65 total cpu time spent up to now is 15.1 secs Computing kpt #: 66 total cpu time spent up to now is 15.3 secs Computing kpt #: 67 total cpu time spent up to now is 15.5 secs Computing kpt #: 68 total cpu time spent up to now is 15.7 secs Computing kpt #: 69 total cpu time spent up to now is 15.9 secs Computing kpt #: 70 total cpu time spent up to now is 16.1 secs Computing kpt #: 71 total cpu time spent up to now is 16.3 secs Computing kpt #: 72 total cpu time spent up to now is 16.5 secs Computing kpt #: 73 total cpu time spent up to now is 16.7 secs Computing kpt #: 74 total cpu time spent up to now is 16.9 secs Computing kpt #: 75 total cpu time spent up to now is 17.1 secs Computing kpt #: 76 total cpu time spent up to now is 17.3 secs Computing kpt #: 77 total cpu time spent up to now is 17.5 secs Computing kpt #: 78 total cpu time spent up to now is 17.6 secs Computing kpt #: 79 total cpu time spent up to now is 17.8 secs Computing kpt #: 80 total cpu time spent up to now is 18.0 secs Computing kpt #: 81 total cpu time spent up to now is 18.2 secs Computing kpt #: 82 total cpu time spent up to now is 18.4 secs Computing kpt #: 83 total cpu time spent up to now is 18.6 secs Computing kpt #: 84 total cpu time spent up to now is 18.7 secs Computing kpt #: 85 total cpu time spent up to now is 18.9 secs Computing kpt #: 86 total cpu time spent up to now is 19.1 secs Computing kpt #: 87 total cpu time spent up to now is 19.3 secs Computing kpt #: 88 total cpu time spent up to now is 19.5 secs Computing kpt #: 89 total cpu time spent up to now is 19.7 secs Computing kpt #: 90 total cpu time spent up to now is 19.9 secs Computing kpt #: 91 total cpu time 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total cpu time spent up to now is 26.6 secs Computing kpt #: 123 total cpu time spent up to now is 26.8 secs Computing kpt #: 124 total cpu time spent up to now is 27.0 secs Computing kpt #: 125 total cpu time spent up to now is 27.2 secs Computing kpt #: 126 total cpu time spent up to now is 27.4 secs Computing kpt #: 127 total cpu time spent up to now is 27.6 secs Computing kpt #: 128 total cpu time spent up to now is 27.7 secs Computing kpt #: 129 total cpu time spent up to now is 27.9 secs Computing kpt #: 130 total cpu time spent up to now is 28.1 secs Computing kpt #: 131 total cpu time spent up to now is 28.3 secs Computing kpt #: 132 total cpu time spent up to now is 28.5 secs Computing kpt #: 133 total cpu time spent up to now is 28.6 secs Computing kpt #: 134 total cpu time spent up to now is 28.8 secs Computing kpt #: 135 total cpu time spent up to now is 29.0 secs Computing kpt #: 136 total cpu time spent up to now is 29.2 secs Computing kpt #: 137 total cpu time spent up to now is 29.3 secs Computing kpt #: 138 total cpu time spent up to now is 29.5 secs Computing kpt #: 139 total cpu time spent up to now is 29.7 secs Computing kpt #: 140 total cpu time spent up to now is 29.8 secs Computing kpt #: 141 total cpu time spent up to now is 30.0 secs Computing kpt #: 142 total cpu time spent up to now is 30.2 secs Computing kpt #: 143 total cpu time spent up to now is 30.4 secs Computing kpt #: 144 total cpu time spent up to now is 30.5 secs Computing kpt #: 145 total cpu time spent up to now is 30.7 secs Computing kpt #: 146 total cpu time spent up to now is 30.9 secs Computing kpt #: 147 total cpu time spent up to now is 31.0 secs Computing kpt #: 148 total cpu time spent up to now is 31.2 secs Computing kpt #: 149 total cpu time spent up to now is 31.4 secs Computing kpt #: 150 total cpu time spent up to now is 31.5 secs Computing kpt #: 151 total cpu time spent up to now is 31.7 secs Computing kpt #: 152 total cpu time spent up to now is 31.9 secs Computing kpt #: 153 total cpu time spent up to now is 32.0 secs Computing kpt #: 154 total cpu time spent up to now is 32.2 secs Computing kpt #: 155 total cpu time spent up to now is 32.4 secs Computing kpt #: 156 total cpu time spent up to now is 32.5 secs Computing kpt #: 157 total cpu time spent up to now is 32.7 secs Computing kpt #: 158 total cpu time spent up to now is 32.8 secs Computing kpt #: 159 total cpu time spent up to now is 33.0 secs Computing kpt #: 160 total cpu time spent up to now is 33.2 secs Computing kpt #: 161 total cpu time spent up to now is 33.3 secs Computing kpt #: 162 total cpu time spent up to now is 33.5 secs Computing kpt #: 163 total cpu time spent up to now is 33.7 secs Computing kpt #: 164 total cpu time spent up to now is 33.9 secs Computing kpt #: 165 total cpu time spent up to now is 34.0 secs Computing kpt #: 166 total cpu time spent up to now is 34.2 secs Computing kpt #: 167 total cpu time spent up to now is 34.4 secs Computing kpt #: 168 total cpu time spent up to now is 34.6 secs Computing kpt #: 169 total cpu time spent up to now is 34.7 secs Computing kpt #: 170 total cpu time spent up to now is 34.9 secs Computing kpt #: 171 total cpu time spent up to now is 35.1 secs Computing kpt #: 172 total cpu time spent up to now is 35.3 secs Computing kpt #: 173 total cpu time spent up to now is 35.4 secs Computing kpt #: 174 total cpu time spent up to now is 35.6 secs Computing kpt #: 175 total cpu time spent up to now is 35.8 secs Computing kpt #: 176 total cpu time spent up to now is 35.9 secs Computing kpt #: 177 total cpu time spent up to now is 36.1 secs Computing kpt #: 178 total cpu time spent up to now is 36.3 secs Computing kpt #: 179 total cpu time spent up to now is 36.4 secs Computing kpt #: 180 total cpu time spent up to now is 36.6 secs Computing kpt #: 181 total cpu time spent up to now is 36.8 secs Computing kpt #: 182 total cpu time spent up to now is 37.0 secs Computing kpt #: 183 total cpu time spent up to now is 37.1 secs Computing kpt #: 184 total cpu time spent up to now is 37.3 secs Computing kpt #: 185 total cpu time spent up to now is 37.5 secs Computing kpt #: 186 total cpu time spent up to now is 37.8 secs Computing kpt #: 187 total cpu time spent up to now is 37.9 secs Computing kpt #: 188 total cpu time spent up to now is 38.1 secs Computing kpt #: 189 total cpu time spent up to now is 38.3 secs Computing kpt #: 190 total cpu time spent up to now is 38.5 secs Computing kpt #: 191 total cpu time spent up to now is 38.6 secs Computing kpt #: 192 total cpu time spent up to now is 38.8 secs Computing kpt #: 193 total cpu time spent up to now is 39.0 secs Computing kpt #: 194 total cpu time spent up to now is 39.2 secs Computing kpt #: 195 total cpu time spent up to now is 39.3 secs Computing kpt #: 196 total cpu time spent up to now is 39.5 secs Computing kpt #: 197 total cpu time spent up to now is 39.7 secs Computing kpt #: 198 total cpu time spent up to now is 39.9 secs Computing kpt #: 199 total cpu time spent up to now is 40.0 secs Computing kpt #: 200 total cpu time spent up to now is 40.2 secs Computing kpt #: 201 total cpu time spent up to now is 40.4 secs Computing kpt #: 202 total cpu time spent up to now is 40.6 secs Computing kpt #: 203 total cpu time spent up to now is 40.7 secs Computing kpt #: 204 total cpu time spent up to now is 40.9 secs Computing kpt #: 205 total cpu time spent up to now is 41.1 secs Computing kpt #: 206 total cpu time spent up to now is 41.3 secs Computing kpt #: 207 total cpu time spent up to now is 41.5 secs Computing kpt #: 208 total cpu time spent up to now is 41.6 secs Computing kpt #: 209 total cpu time spent up to now is 41.8 secs Computing kpt #: 210 total cpu time spent up to now is 42.0 secs Computing kpt #: 211 total cpu time spent up to now is 42.2 secs Computing kpt #: 212 total cpu time spent up to now is 42.3 secs Computing kpt #: 213 total cpu time spent up to now is 42.5 secs Computing kpt #: 214 total cpu time spent up to now is 42.7 secs Computing kpt #: 215 total cpu time spent up to now is 42.9 secs Computing kpt #: 216 total cpu time spent up to now is 43.0 secs Computing kpt #: 217 total cpu time spent up to now is 43.2 secs Computing kpt #: 218 total cpu time spent up to now is 43.4 secs Computing kpt #: 219 total cpu time spent up to now is 43.6 secs Computing kpt #: 220 total cpu time spent up to now is 43.8 secs Computing kpt #: 221 total cpu time spent up to now is 44.0 secs Computing kpt #: 222 total cpu time spent up to now is 44.2 secs Computing kpt #: 223 total cpu time spent up to now is 44.4 secs Computing kpt #: 224 total cpu time spent up to now is 44.6 secs Computing kpt #: 225 total cpu time spent up to now is 44.9 secs Computing kpt #: 226 total cpu time spent up to now is 45.1 secs Computing kpt #: 227 total cpu time spent up to now is 45.4 secs Computing kpt #: 228 total cpu time spent up to now is 45.6 secs Computing kpt #: 229 total cpu time spent up to now is 45.9 secs Computing kpt #: 230 total cpu time spent up to now is 46.1 secs Computing kpt #: 231 total cpu time spent up to now is 46.4 secs Computing kpt #: 232 total cpu time spent up to now is 46.6 secs Computing kpt #: 233 total cpu time spent up to now is 46.9 secs Computing kpt #: 234 total cpu time spent up to now is 47.1 secs Computing kpt #: 235 total cpu time spent up to now is 47.4 secs Computing kpt #: 236 total cpu time spent up to now is 47.6 secs Computing kpt #: 237 total cpu time spent up to now is 47.9 secs Computing kpt #: 238 total cpu time spent up to now is 48.1 secs Computing kpt #: 239 total cpu time spent up to now is 48.3 secs Computing kpt #: 240 total cpu time spent up to now is 48.6 secs Computing kpt #: 241 total cpu time spent up to now is 48.8 secs Computing kpt #: 242 total cpu time spent up to now is 49.0 secs Computing kpt #: 243 total cpu time spent up to now is 49.3 secs Computing kpt #: 244 total cpu time spent up to now is 49.5 secs Computing kpt #: 245 total cpu time spent up to now is 49.8 secs Computing kpt #: 246 total cpu time spent up to now is 50.0 secs Computing kpt #: 247 total cpu time spent up to now is 50.3 secs Computing kpt #: 248 total cpu time spent up to now is 50.5 secs Computing kpt #: 249 total cpu time spent up to now is 50.8 secs Computing kpt #: 250 total cpu time spent up to now is 51.0 secs Computing kpt #: 251 total cpu time spent up to now is 51.3 secs Computing kpt #: 252 total cpu time spent up to now is 51.5 secs Computing kpt #: 253 total cpu time spent up to now is 51.8 secs Computing kpt #: 254 total cpu time spent up to now is 52.0 secs Computing kpt #: 255 total cpu time spent up to now is 52.3 secs Computing kpt #: 256 total cpu time spent up to now is 52.6 secs Computing kpt #: 257 total cpu time spent up to now is 52.8 secs Computing kpt #: 258 total cpu time spent up to now is 53.0 secs Computing kpt #: 259 total cpu time spent up to now is 53.2 secs Computing kpt #: 260 total cpu time spent up to now is 53.4 secs Computing kpt #: 261 total cpu time spent up to now is 53.6 secs Computing kpt #: 262 total cpu time spent up to now is 53.7 secs Computing kpt #: 263 total cpu time spent up to now is 53.9 secs Computing kpt #: 264 total cpu time spent up to now is 54.1 secs Computing kpt #: 265 total cpu time spent up to now is 54.3 secs Computing kpt #: 266 total cpu time spent up to now is 54.5 secs Computing kpt #: 267 total cpu time spent up to now is 54.7 secs Computing kpt #: 268 total cpu time spent up to now is 54.9 secs Computing kpt #: 269 total cpu time spent up to now is 55.1 secs Computing kpt #: 270 total cpu time spent up to now is 55.3 secs Computing kpt #: 271 total cpu time spent up to now is 55.5 secs Computing kpt #: 272 total cpu time spent up to now is 55.7 secs Computing kpt #: 273 total cpu time spent up to now is 55.9 secs Computing kpt #: 274 total cpu time spent up to now is 56.0 secs Computing kpt #: 275 total cpu time spent up to now is 56.2 secs Computing kpt #: 276 total cpu time spent up to now is 56.4 secs Computing kpt #: 277 total cpu time spent up to now is 56.6 secs Computing kpt #: 278 total cpu time spent up to now is 56.8 secs Computing kpt #: 279 total cpu time spent up to now is 57.0 secs Computing kpt #: 280 total cpu time spent up to now is 57.2 secs Computing kpt #: 281 total cpu time spent up to now is 57.3 secs Computing kpt #: 282 total cpu time spent up to now is 57.5 secs Computing kpt #: 283 total cpu time spent up to now is 57.7 secs Computing kpt #: 284 total cpu time spent up to now is 57.9 secs Computing kpt #: 285 total cpu time spent up to now is 58.0 secs Computing kpt #: 286 total cpu time spent up to now is 58.2 secs Computing kpt #: 287 total cpu time spent up to now is 58.4 secs Computing kpt #: 288 total cpu time spent up to now is 58.6 secs Computing kpt #: 289 total cpu time spent up to now is 58.8 secs Computing kpt #: 290 total cpu time spent up to now is 59.0 secs Computing kpt #: 291 total cpu time spent up to now is 59.1 secs Computing kpt #: 292 total cpu time spent up to now is 59.3 secs Computing kpt #: 293 total cpu time spent up to now is 59.5 secs Computing kpt #: 294 total cpu time spent up to now is 59.7 secs Computing kpt #: 295 total cpu time spent up to now is 59.8 secs Computing kpt #: 296 total cpu time spent up to now is 60.0 secs Computing kpt #: 297 total cpu time spent up to now is 60.2 secs Computing kpt #: 298 total cpu time spent up to now is 60.4 secs Computing kpt #: 299 total cpu time spent up to now is 60.6 secs Computing kpt #: 300 total cpu time spent up to now is 60.8 secs Computing kpt #: 301 total cpu time spent up to now is 61.0 secs Computing kpt #: 302 total cpu time spent up to now is 61.2 secs Computing kpt #: 303 total cpu time spent up to now is 61.4 secs Computing kpt #: 304 total cpu time spent up to now is 61.6 secs Computing kpt #: 305 total cpu time spent up to now is 61.8 secs Computing kpt #: 306 total cpu time spent up to now is 62.0 secs Computing kpt #: 307 total cpu time spent up to now is 62.1 secs Computing kpt #: 308 total cpu time spent up to now is 62.3 secs Computing kpt #: 309 total cpu time spent up to now is 62.5 secs Computing kpt #: 310 total cpu time spent up to now is 62.7 secs Computing kpt #: 311 total cpu time spent up to now is 62.9 secs Computing kpt #: 312 total cpu time spent up to now is 63.1 secs Computing kpt #: 313 total cpu time spent up to now is 63.3 secs Computing kpt #: 314 total cpu time spent up to now is 63.5 secs Computing kpt #: 315 total cpu time spent up to now is 63.7 secs Computing kpt #: 316 total cpu time spent up to now is 63.9 secs Computing kpt #: 317 total cpu time spent up to now is 64.1 secs Computing kpt #: 318 total cpu time spent up to now is 64.3 secs Computing kpt #: 319 total cpu time spent up to now is 64.5 secs Computing kpt #: 320 total cpu time spent up to now is 64.7 secs Computing kpt #: 321 total cpu time spent up to now is 64.9 secs Computing kpt #: 322 total cpu time spent up to now is 65.1 secs Computing kpt #: 323 total cpu time spent up to now is 65.2 secs Computing kpt #: 324 total cpu time spent up to now is 65.4 secs Computing kpt #: 325 total cpu time spent up to now is 65.6 secs Computing kpt #: 326 total cpu time spent up to now is 65.8 secs Computing kpt #: 327 total cpu time spent up to now is 66.0 secs Computing kpt #: 328 total cpu time spent up to now is 66.2 secs Computing kpt #: 329 total cpu time spent up to now is 66.3 secs Computing kpt #: 330 total cpu time spent up to now is 66.5 secs Computing kpt #: 331 total cpu time spent up to now is 66.7 secs Computing kpt #: 332 total cpu time spent up to now is 66.9 secs Computing kpt #: 333 total cpu time spent up to now is 67.1 secs Computing kpt #: 334 total cpu time spent up to now is 67.2 secs Computing kpt #: 335 total cpu time spent up to now is 67.4 secs Computing kpt #: 336 total cpu time spent up to now is 67.6 secs Computing kpt #: 337 total cpu time spent up to now is 67.8 secs Computing kpt #: 338 total cpu time spent up to now is 67.9 secs Computing kpt #: 339 total cpu time spent up to now is 68.1 secs Computing kpt #: 340 total cpu time spent up to now is 68.3 secs Computing kpt #: 341 total cpu time spent up to now is 68.5 secs Computing kpt #: 342 total cpu time spent up to now is 68.6 secs Computing kpt #: 343 total cpu time spent up to now is 68.8 secs Computing kpt #: 344 total cpu time spent up to now is 69.0 secs Computing kpt #: 345 total cpu time spent up to now is 69.2 secs Computing kpt #: 346 total cpu time spent up to now is 69.3 secs Computing kpt #: 347 total cpu time spent up to now is 69.5 secs Computing kpt #: 348 total cpu time spent up to now is 69.6 secs Computing kpt #: 349 total cpu time spent up to now is 69.8 secs Computing kpt #: 350 total cpu time spent up to now is 70.0 secs Computing kpt #: 351 total cpu time spent up to now is 70.1 secs Computing kpt #: 352 total cpu time spent up to now is 70.3 secs Computing kpt #: 353 total cpu time spent up to now is 70.4 secs Computing kpt #: 354 total cpu time spent up to now is 70.6 secs Computing kpt #: 355 total cpu time spent up to now is 70.8 secs Computing kpt #: 356 total cpu time spent up to now is 70.9 secs Computing kpt #: 357 total cpu time spent up to now is 71.1 secs Computing kpt #: 358 total cpu time spent up to now is 71.3 secs Computing kpt #: 359 total cpu time spent up to now is 71.5 secs Computing kpt #: 360 total cpu time spent up to now is 71.7 secs Computing kpt #: 361 total cpu time spent up to now is 71.8 secs Computing kpt #: 362 total cpu time spent up to now is 72.0 secs Computing kpt #: 363 total cpu time spent up to now is 72.2 secs Computing kpt #: 364 total cpu time spent up to now is 72.4 secs Computing kpt #: 365 total cpu time spent up to now is 72.6 secs Computing kpt #: 366 total cpu time spent up to now is 72.8 secs Computing kpt #: 367 total cpu time spent up to now is 73.0 secs Computing kpt #: 368 total cpu time spent up to now is 73.2 secs Computing kpt #: 369 total cpu time spent up to now is 73.4 secs Computing kpt #: 370 total cpu time spent up to now is 73.5 secs Computing kpt #: 371 total cpu time spent up to now is 73.7 secs Computing kpt #: 372 total cpu time spent up to now is 73.9 secs Computing kpt #: 373 total cpu time spent up to now is 74.1 secs Computing kpt #: 374 total cpu time spent up to now is 74.3 secs Computing kpt #: 375 total cpu time spent up to now is 74.5 secs Computing kpt #: 376 total cpu time spent up to now is 74.6 secs Computing kpt #: 377 total cpu time spent up to now is 74.8 secs Computing kpt #: 378 total cpu time spent up to now is 75.0 secs Computing kpt #: 379 total cpu time spent up to now is 75.2 secs Computing kpt #: 380 total cpu time spent up to now is 75.4 secs ethr = 4.17E-08, avg # of iterations = 14.8 total cpu time spent up to now is 75.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2259 PWs) bands (ev): -68.3353 -68.3353 -35.2756 -35.2756 -34.9973 -34.9973 -34.9751 -34.9751 -12.8063 -12.8063 -10.4848 -10.4848 -2.7221 -2.7221 1.8038 1.8038 1.8906 1.8906 1.9004 1.9004 4.8820 4.8820 4.8940 4.8940 9.6510 9.6510 12.3570 12.3570 12.3714 12.3714 13.4306 13.4306 k = 0.0088-0.0114-0.0071 ( 2259 PWs) bands (ev): -68.3353 -68.3353 -35.2756 -35.2756 -34.9973 -34.9973 -34.9751 -34.9751 -12.8059 -12.8059 -10.4847 -10.4847 -2.7214 -2.7214 1.8035 1.8035 1.8891 1.8891 1.8991 1.8991 4.8808 4.8808 4.8928 4.8928 9.6543 9.6543 12.3552 12.3552 12.3699 12.3699 13.4336 13.4336 k = 0.0175-0.0228-0.0142 ( 2261 PWs) bands (ev): -68.3353 -68.3353 -35.2756 -35.2756 -34.9973 -34.9973 -34.9752 -34.9752 -12.8047 -12.8047 -10.4843 -10.4843 -2.7191 -2.7191 1.8025 1.8025 1.8834 1.8834 1.8962 1.8962 4.8768 4.8768 4.8898 4.8898 9.6642 9.6642 12.3480 12.3480 12.3670 12.3670 13.4426 13.4426 k = 0.0263-0.0341-0.0212 ( 2263 PWs) bands (ev): -68.3353 -68.3353 -35.2757 -35.2757 -34.9973 -34.9973 -34.9753 -34.9753 -12.8028 -12.8028 -10.4836 -10.4836 -2.7153 -2.7153 1.8008 1.8008 1.8724 1.8724 1.8932 1.8932 4.8691 4.8691 4.8858 4.8858 9.6806 9.6806 12.3335 12.3335 12.3649 12.3649 13.4575 13.4575 k = 0.0351-0.0455-0.0283 ( 2265 PWs) bands (ev): -68.3353 -68.3353 -35.2757 -35.2757 -34.9974 -34.9974 -34.9753 -34.9753 -12.8000 -12.8000 -10.4827 -10.4827 -2.7101 -2.7101 1.7981 1.7981 1.8562 1.8562 1.8900 1.8900 4.8575 4.8575 4.8813 4.8813 9.7034 9.7034 12.3119 12.3119 12.3635 12.3635 13.4782 13.4782 k = 0.0439-0.0569-0.0354 ( 2259 PWs) bands (ev): -68.3353 -68.3353 -35.2757 -35.2757 -34.9974 -34.9974 -34.9754 -34.9754 -12.7964 -12.7964 -10.4816 -10.4816 -2.7033 -2.7033 1.7940 1.7940 1.8360 1.8360 1.8864 1.8864 4.8421 4.8421 4.8762 4.8762 9.7325 9.7325 12.2840 12.2840 12.3621 12.3621 13.5046 13.5046 k = 0.0526-0.0683-0.0425 ( 2255 PWs) bands (ev): -68.3352 -68.3352 -35.2758 -35.2758 -34.9974 -34.9974 -34.9755 -34.9755 -12.7921 -12.7921 -10.4801 -10.4801 -2.6951 -2.6951 1.7861 1.7861 1.8144 1.8144 1.8821 1.8821 4.8231 4.8231 4.8704 4.8704 9.7677 9.7677 12.2500 12.2500 12.3607 12.3607 13.5366 13.5366 k = 0.0614-0.0796-0.0495 ( 2260 PWs) bands (ev): -68.3352 -68.3352 -35.2759 -35.2759 -34.9974 -34.9974 -34.9757 -34.9757 -12.7869 -12.7869 -10.4785 -10.4785 -2.6854 -2.6854 1.7666 1.7666 1.7992 1.7992 1.8771 1.8771 4.8009 4.8009 4.8636 4.8636 9.8088 9.8088 12.2103 12.2103 12.3592 12.3592 13.5738 13.5738 k = 0.0702-0.0910-0.0566 ( 2258 PWs) bands (ev): -68.3352 -68.3352 -35.2759 -35.2759 -34.9975 -34.9975 -34.9758 -34.9758 -12.7811 -12.7811 -10.4766 -10.4766 -2.6743 -2.6743 1.7350 1.7350 1.7914 1.7914 1.8715 1.8715 4.7756 4.7756 4.8561 4.8561 9.8556 9.8556 12.1653 12.1653 12.3575 12.3575 13.6161 13.6161 k = 0.0789-0.1024-0.0637 ( 2258 PWs) bands (ev): -68.3352 -68.3352 -35.2760 -35.2760 -34.9975 -34.9975 -34.9760 -34.9760 -12.7745 -12.7745 -10.4744 -10.4744 -2.6617 -2.6617 1.6969 1.6969 1.7853 1.7853 1.8653 1.8653 4.7474 4.7474 4.8476 4.8476 9.9078 9.9078 12.1153 12.1153 12.3556 12.3556 13.6633 13.6633 k = 0.0877-0.1138-0.0708 ( 2259 PWs) bands (ev): -68.3352 -68.3352 -35.2761 -35.2761 -34.9976 -34.9976 -34.9762 -34.9762 -12.7672 -12.7672 -10.4721 -10.4721 -2.6478 -2.6478 1.6544 1.6544 1.7793 1.7793 1.8584 1.8584 4.7166 4.7166 4.8383 4.8383 9.9652 9.9652 12.0606 12.0606 12.3536 12.3536 13.7151 13.7151 k = 0.0965-0.1251-0.0779 ( 2259 PWs) bands (ev): -68.3352 -68.3352 -35.2762 -35.2762 -34.9976 -34.9976 -34.9764 -34.9764 -12.7591 -12.7591 -10.4694 -10.4694 -2.6324 -2.6324 1.6081 1.6081 1.7730 1.7730 1.8508 1.8508 4.6833 4.6833 4.8282 4.8282 10.0274 10.0274 12.0017 12.0017 12.3513 12.3513 13.7711 13.7711 k = 0.1053-0.1365-0.0849 ( 2256 PWs) bands (ev): -68.3351 -68.3351 -35.2763 -35.2763 -34.9977 -34.9977 -34.9766 -34.9766 -12.7504 -12.7504 -10.4666 -10.4666 -2.6156 -2.6156 1.5583 1.5583 1.7663 1.7663 1.8427 1.8427 4.6478 4.6478 4.8173 4.8173 10.0942 10.0942 11.9387 11.9387 12.3488 12.3488 13.8310 13.8310 k = 0.1140-0.1479-0.0920 ( 2258 PWs) bands (ev): -68.3351 -68.3351 -35.2765 -35.2765 -34.9977 -34.9977 -34.9769 -34.9769 -12.7410 -12.7410 -10.4636 -10.4636 -2.5976 -2.5976 1.5053 1.5053 1.7591 1.7591 1.8340 1.8340 4.6103 4.6103 4.8057 4.8057 10.1651 10.1651 11.8722 11.8722 12.3462 12.3462 13.8943 13.8943 k = 0.1228-0.1593-0.0991 ( 2259 PWs) bands (ev): -68.3351 -68.3351 -35.2766 -35.2766 -34.9978 -34.9978 -34.9771 -34.9771 -12.7310 -12.7310 -10.4604 -10.4604 -2.5782 -2.5782 1.4495 1.4495 1.7513 1.7513 1.8247 1.8247 4.5710 4.5710 4.7933 4.7933 10.2398 10.2398 11.8024 11.8024 12.3433 12.3433 13.9609 13.9609 k = 0.1316-0.1707-0.1062 ( 2259 PWs) bands (ev): -68.3351 -68.3351 -35.2767 -35.2767 -34.9979 -34.9979 -34.9774 -34.9774 -12.7203 -12.7203 -10.4569 -10.4569 -2.5575 -2.5575 1.3910 1.3910 1.7429 1.7429 1.8150 1.8150 4.5301 4.5301 4.7803 4.7803 10.3179 10.3179 11.7298 11.7298 12.3403 12.3403 14.0302 14.0302 k = 0.1404-0.1820-0.1132 ( 2259 PWs) bands (ev): -68.3350 -68.3350 -35.2769 -35.2769 -34.9980 -34.9980 -34.9777 -34.9777 -12.7091 -12.7091 -10.4533 -10.4533 -2.5356 -2.5356 1.3303 1.3303 1.7340 1.7340 1.8048 1.8048 4.4880 4.4880 4.7667 4.7667 10.3989 10.3989 11.6548 11.6548 12.3371 12.3371 14.1018 14.1018 k = 0.1491-0.1934-0.1203 ( 2263 PWs) bands (ev): -68.3350 -68.3350 -35.2771 -35.2771 -34.9980 -34.9980 -34.9780 -34.9780 -12.6973 -12.6973 -10.4495 -10.4495 -2.5125 -2.5125 1.2674 1.2674 1.7245 1.7245 1.7941 1.7941 4.4447 4.4447 4.7525 4.7525 10.4825 10.4825 11.5777 11.5777 12.3337 12.3337 14.1752 14.1752 k = 0.1579-0.2048-0.1274 ( 2260 PWs) bands (ev): -68.3350 -68.3350 -35.2772 -35.2772 -34.9981 -34.9981 -34.9783 -34.9783 -12.6849 -12.6849 -10.4456 -10.4456 -2.4882 -2.4882 1.2027 1.2027 1.7144 1.7144 1.7830 1.7830 4.4006 4.4006 4.7378 4.7378 10.5678 10.5678 11.4994 11.4994 12.3302 12.3302 14.2501 14.2501 k = 0.1667-0.2162-0.1345 ( 2259 PWs) bands (ev): -68.3349 -68.3349 -35.2774 -35.2774 -34.9982 -34.9982 -34.9786 -34.9786 -12.6721 -12.6721 -10.4415 -10.4415 -2.4627 -2.4627 1.1365 1.1365 1.7037 1.7037 1.7716 1.7716 4.3558 4.3558 4.7226 4.7226 10.6541 10.6541 11.4203 11.4203 12.3266 12.3266 14.3258 14.3258 k = 0.1754-0.2275-0.1416 ( 2262 PWs) bands (ev): -68.3349 -68.3349 -35.2776 -35.2776 -34.9983 -34.9983 -34.9789 -34.9789 -12.6588 -12.6588 -10.4372 -10.4372 -2.4362 -2.4362 1.0689 1.0689 1.6924 1.6924 1.7598 1.7598 4.3106 4.3106 4.7070 4.7070 10.7400 10.7400 11.3420 11.3420 12.3228 12.3228 14.4018 14.4018 k = 0.1842-0.2389-0.1486 ( 2264 PWs) bands (ev): -68.3348 -68.3348 -35.2777 -35.2777 -34.9984 -34.9984 -34.9793 -34.9793 -12.6450 -12.6450 -10.4328 -10.4328 -2.4086 -2.4086 1.0001 1.0001 1.6805 1.6805 1.7478 1.7478 4.2651 4.2651 4.6910 4.6910 10.8224 10.8224 11.2673 11.2673 12.3188 12.3188 14.4777 14.4777 k = 0.1930-0.2503-0.1557 ( 2264 PWs) bands (ev): -68.3348 -68.3348 -35.2779 -35.2779 -34.9985 -34.9985 -34.9796 -34.9796 -12.6309 -12.6309 -10.4284 -10.4284 -2.3801 -2.3801 0.9305 0.9305 1.6680 1.6680 1.7355 1.7355 4.2195 4.2195 4.6747 4.6747 10.8934 10.8934 11.2042 11.2042 12.3147 12.3147 14.5528 14.5528 k = 0.2018-0.2617-0.1628 ( 2269 PWs) bands (ev): -68.3348 -68.3348 -35.2781 -35.2781 -34.9986 -34.9986 -34.9800 -34.9800 -12.6163 -12.6163 -10.4238 -10.4238 -2.3506 -2.3506 0.8601 0.8601 1.6550 1.6550 1.7230 1.7230 4.1742 4.1742 4.6582 4.6582 10.9294 10.9294 11.1757 11.1757 12.3106 12.3106 14.6265 14.6265 k = 0.2105-0.2731-0.1699 ( 2268 PWs) bands (ev): -68.3347 -68.3347 -35.2783 -35.2783 -34.9988 -34.9988 -34.9803 -34.9803 -12.6015 -12.6015 -10.4191 -10.4191 -2.3201 -2.3201 0.7892 0.7892 1.6414 1.6414 1.7103 1.7103 4.1291 4.1291 4.6414 4.6414 10.9052 10.9052 11.2074 11.2074 12.3063 12.3063 14.6982 14.6982 k = 0.2193-0.2844-0.1769 ( 2270 PWs) bands (ev): -68.3347 -68.3347 -35.2785 -35.2785 -34.9989 -34.9989 -34.9806 -34.9806 -12.5864 -12.5864 -10.4143 -10.4143 -2.2889 -2.2889 0.7180 0.7180 1.6272 1.6272 1.6975 1.6975 4.0845 4.0845 4.6245 4.6245 10.8424 10.8424 11.2771 11.2771 12.3019 12.3019 14.7672 14.7672 k = 0.2281-0.2958-0.1840 ( 2270 PWs) bands (ev): -68.3347 -68.3347 -35.2787 -35.2787 -34.9990 -34.9990 -34.9810 -34.9810 -12.5710 -12.5710 -10.4095 -10.4095 -2.2568 -2.2568 0.6467 0.6467 1.6124 1.6124 1.6846 1.6846 4.0406 4.0406 4.6076 4.6076 10.7660 10.7660 11.3600 11.3600 12.2975 12.2975 14.8329 14.8329 k = 0.2368-0.3072-0.1911 ( 2270 PWs) bands (ev): -68.3346 -68.3346 -35.2789 -35.2789 -34.9991 -34.9991 -34.9813 -34.9813 -12.5554 -12.5554 -10.4047 -10.4047 -2.2240 -2.2240 0.5754 0.5754 1.5972 1.5972 1.6716 1.6716 3.9974 3.9974 4.5905 4.5905 10.6845 10.6845 11.4470 11.4470 12.2930 12.2930 14.8945 14.8945 k = 0.2456-0.3186-0.1982 ( 2276 PWs) bands (ev): -68.3346 -68.3346 -35.2791 -35.2791 -34.9993 -34.9993 -34.9817 -34.9817 -12.5397 -12.5397 -10.3998 -10.3998 -2.1905 -2.1905 0.5043 0.5043 1.5813 1.5813 1.6587 1.6587 3.9552 3.9552 4.5735 4.5735 10.6011 10.6011 11.5349 11.5349 12.2885 12.2885 14.9514 14.9514 k = 0.2544-0.3299-0.2053 ( 2274 PWs) bands (ev): -68.3345 -68.3345 -35.2793 -35.2793 -34.9994 -34.9994 -34.9820 -34.9820 -12.5239 -12.5239 -10.3949 -10.3949 -2.1564 -2.1564 0.4336 0.4336 1.5651 1.5651 1.6458 1.6458 3.9140 3.9140 4.5566 4.5566 10.5171 10.5171 11.6223 11.6223 12.2839 12.2839 15.0029 15.0029 k = 0.2632-0.3413-0.2123 ( 2276 PWs) bands (ev): -68.3345 -68.3345 -35.2796 -35.2796 -34.9996 -34.9996 -34.9823 -34.9823 -12.5080 -12.5080 -10.3900 -10.3900 -2.1217 -2.1217 0.3634 0.3634 1.5484 1.5484 1.6329 1.6329 3.8740 3.8740 4.5398 4.5398 10.4332 10.4332 11.7080 11.7080 12.2793 12.2793 15.0483 15.0483 k = 0.2719-0.3527-0.2194 ( 2276 PWs) bands (ev): -68.3345 -68.3345 -35.2798 -35.2798 -34.9997 -34.9997 -34.9826 -34.9826 -12.4921 -12.4921 -10.3851 -10.3851 -2.0865 -2.0865 0.2937 0.2937 1.5313 1.5313 1.6202 1.6202 3.8353 3.8353 4.5231 4.5231 10.3499 10.3499 11.7916 11.7916 12.2748 12.2748 15.0871 15.0871 k = 0.2807-0.3641-0.2265 ( 2273 PWs) bands (ev): -68.3344 -68.3344 -35.2800 -35.2800 -34.9998 -34.9998 -34.9830 -34.9830 -12.4763 -12.4763 -10.3803 -10.3803 -2.0508 -2.0508 0.2249 0.2249 1.5139 1.5139 1.6076 1.6076 3.7979 3.7979 4.5066 4.5066 10.2676 10.2676 11.8723 11.8723 12.2702 12.2702 15.1188 15.1188 k = 0.2895-0.3754-0.2336 ( 2268 PWs) bands (ev): -68.3344 -68.3344 -35.2801 -35.2801 -35.0000 -35.0000 -34.9832 -34.9832 -12.4605 -12.4605 -10.3754 -10.3754 -2.0147 -2.0147 0.1570 0.1570 1.4961 1.4961 1.5952 1.5952 3.7619 3.7619 4.4904 4.4904 10.1865 10.1865 11.9499 11.9499 12.2657 12.2657 15.1432 15.1432 k = 0.2982-0.3868-0.2406 ( 2267 PWs) bands (ev): -68.3343 -68.3343 -35.2803 -35.2803 -35.0001 -35.0001 -34.9835 -34.9835 -12.4449 -12.4449 -10.3707 -10.3707 -1.9783 -1.9783 0.0900 0.0900 1.4781 1.4781 1.5830 1.5830 3.7274 3.7274 4.4745 4.4745 10.1069 10.1069 12.0237 12.0237 12.2612 12.2612 15.1600 15.1600 k = 0.3070-0.3982-0.2477 ( 2263 PWs) bands (ev): -68.3343 -68.3343 -35.2805 -35.2805 -35.0002 -35.0002 -34.9838 -34.9838 -12.4294 -12.4294 -10.3660 -10.3660 -1.9416 -1.9416 0.0241 0.0241 1.4599 1.4599 1.5710 1.5710 3.6944 3.6944 4.4589 4.4589 10.0291 10.0291 12.0935 12.0935 12.2568 12.2568 15.1694 15.1694 k = 0.3158-0.4096-0.2548 ( 2260 PWs) bands (ev): -68.3343 -68.3343 -35.2807 -35.2807 -35.0004 -35.0004 -34.9841 -34.9841 -12.4142 -12.4142 -10.3614 -10.3614 -1.9047 -1.9047 -0.0407 -0.0407 1.4416 1.4416 1.5594 1.5594 3.6630 3.6630 4.4438 4.4438 9.9531 9.9531 12.1591 12.1591 12.2525 12.2525 15.1719 15.1719 k = 0.3246-0.4210-0.2619 ( 2260 PWs) bands (ev): -68.3342 -68.3342 -35.2809 -35.2809 -35.0005 -35.0005 -34.9844 -34.9844 -12.3993 -12.3993 -10.3569 -10.3569 -1.8677 -1.8677 -0.1041 -0.1041 1.4233 1.4233 1.5481 1.5481 3.6332 3.6332 4.4290 4.4290 9.8793 9.8793 12.2201 12.2201 12.2483 12.2483 15.1681 15.1681 k = 0.3333-0.4323-0.2690 ( 2258 PWs) bands (ev): -68.3342 -68.3342 -35.2811 -35.2811 -35.0007 -35.0007 -34.9846 -34.9846 -12.3847 -12.3847 -10.3526 -10.3526 -1.8305 -1.8305 -0.1663 -0.1663 1.4050 1.4050 1.5371 1.5371 3.6050 3.6050 4.4147 4.4147 9.8078 9.8078 12.2439 12.2439 12.2767 12.2767 15.1590 15.1590 k = 0.3421-0.4437-0.2760 ( 2258 PWs) bands (ev): -68.3341 -68.3341 -35.2812 -35.2812 -35.0008 -35.0008 -34.9849 -34.9849 -12.3705 -12.3705 -10.3484 -10.3484 -1.7933 -1.7933 -0.2270 -0.2270 1.3868 1.3868 1.5265 1.5265 3.5784 3.5784 4.4009 4.4009 9.7388 9.7388 12.2399 12.2399 12.3284 12.3284 15.1455 15.1455 k = 0.3509-0.4551-0.2831 ( 2260 PWs) bands (ev): -68.3341 -68.3341 -35.2814 -35.2814 -35.0010 -35.0010 -34.9851 -34.9851 -12.3567 -12.3567 -10.3443 -10.3443 -1.7561 -1.7561 -0.2863 -0.2863 1.3688 1.3688 1.5163 1.5163 3.5534 3.5534 4.3877 4.3877 9.6724 9.6724 12.2361 12.2361 12.3754 12.3754 15.1285 15.1285 k = 0.3596-0.4665-0.2902 ( 2260 PWs) bands (ev): -68.3341 -68.3341 -35.2816 -35.2816 -35.0011 -35.0011 -34.9853 -34.9853 -12.3434 -12.3434 -10.3403 -10.3403 -1.7190 -1.7190 -0.3441 -0.3441 1.3512 1.3512 1.5065 1.5065 3.5301 3.5301 4.3750 4.3750 9.6089 9.6089 12.2323 12.2323 12.4178 12.4178 15.1091 15.1091 k = 0.3684-0.4778-0.2973 ( 2256 PWs) bands (ev): -68.3340 -68.3340 -35.2817 -35.2817 -35.0012 -35.0012 -34.9855 -34.9855 -12.3307 -12.3307 -10.3366 -10.3366 -1.6820 -1.6820 -0.4003 -0.4003 1.3339 1.3339 1.4972 1.4972 3.5084 3.5084 4.3630 4.3630 9.5484 9.5484 12.2287 12.2287 12.4558 12.4558 15.0880 15.0880 k = 0.3772-0.4892-0.3043 ( 2258 PWs) bands (ev): -68.3340 -68.3340 -35.2819 -35.2819 -35.0014 -35.0014 -34.9857 -34.9857 -12.3185 -12.3185 -10.3330 -10.3330 -1.6451 -1.6451 -0.4550 -0.4550 1.3172 1.3172 1.4884 1.4884 3.4883 3.4883 4.3516 4.3516 9.4909 9.4909 12.2253 12.2253 12.4894 12.4894 15.0659 15.0659 k = 0.3860-0.5006-0.3114 ( 2260 PWs) bands (ev): -68.3340 -68.3340 -35.2821 -35.2821 -35.0015 -35.0015 -34.9859 -34.9859 -12.3070 -12.3070 -10.3296 -10.3296 -1.6084 -1.6084 -0.5081 -0.5081 1.3010 1.3010 1.4800 1.4800 3.4698 3.4698 4.3408 4.3408 9.4368 9.4368 12.2220 12.2220 12.5190 12.5190 15.0435 15.0435 k = 0.3947-0.5120-0.3185 ( 2260 PWs) bands (ev): -68.3340 -68.3340 -35.2822 -35.2822 -35.0016 -35.0016 -34.9861 -34.9861 -12.2961 -12.2961 -10.3265 -10.3265 -1.5719 -1.5719 -0.5595 -0.5595 1.2855 1.2855 1.4723 1.4723 3.4528 3.4528 4.3307 4.3307 9.3861 9.3861 12.2190 12.2190 12.5448 12.5448 15.0213 15.0213 k = 0.4035-0.5233-0.3256 ( 2258 PWs) bands (ev): -68.3339 -68.3339 -35.2823 -35.2823 -35.0018 -35.0018 -34.9862 -34.9862 -12.2859 -12.2859 -10.3235 -10.3235 -1.5357 -1.5357 -0.6094 -0.6094 1.2709 1.2709 1.4650 1.4650 3.4373 3.4373 4.3214 4.3214 9.3389 9.3389 12.2161 12.2161 12.5671 12.5671 14.9996 14.9996 k = 0.4123-0.5347-0.3327 ( 2260 PWs) bands (ev): -68.3339 -68.3339 -35.2824 -35.2824 -35.0019 -35.0019 -34.9864 -34.9864 -12.2765 -12.2765 -10.3208 -10.3208 -1.4998 -1.4998 -0.6575 -0.6575 1.2571 1.2571 1.4584 1.4584 3.4233 3.4233 4.3127 4.3127 9.2954 9.2954 12.2135 12.2135 12.5862 12.5862 14.9790 14.9790 k = 0.4211-0.5461-0.3397 ( 2257 PWs) bands (ev): -68.3339 -68.3339 -35.2825 -35.2825 -35.0020 -35.0020 -34.9865 -34.9865 -12.2679 -12.2679 -10.3183 -10.3183 -1.4643 -1.4643 -0.7040 -0.7040 1.2443 1.2443 1.4523 1.4523 3.4108 3.4108 4.3049 4.3049 9.2557 9.2557 12.2111 12.2111 12.6024 12.6024 14.9595 14.9595 k = 0.4298-0.5575-0.3468 ( 2257 PWs) bands (ev): -68.3339 -68.3339 -35.2826 -35.2826 -35.0020 -35.0020 -34.9866 -34.9866 -12.2601 -12.2601 -10.3160 -10.3160 -1.4293 -1.4293 -0.7488 -0.7488 1.2326 1.2326 1.4468 1.4468 3.3997 3.3997 4.2978 4.2978 9.2198 9.2198 12.2089 12.2089 12.6160 12.6160 14.9416 14.9416 k = 0.4386-0.5689-0.3539 ( 2254 PWs) bands (ev): -68.3339 -68.3339 -35.2827 -35.2827 -35.0021 -35.0021 -34.9867 -34.9867 -12.2531 -12.2531 -10.3140 -10.3140 -1.3948 -1.3948 -0.7917 -0.7917 1.2221 1.2221 1.4420 1.4420 3.3899 3.3899 4.2915 4.2915 9.1880 9.1880 12.2070 12.2070 12.6273 12.6273 14.9253 14.9253 k = 0.4474-0.5802-0.3610 ( 2254 PWs) bands (ev): -68.3338 -68.3338 -35.2828 -35.2828 -35.0022 -35.0022 -34.9868 -34.9868 -12.2470 -12.2470 -10.3123 -10.3123 -1.3612 -1.3612 -0.8327 -0.8327 1.2128 1.2128 1.4377 1.4377 3.3816 3.3816 4.2861 4.2861 9.1602 9.1602 12.2053 12.2053 12.6365 12.6365 14.9109 14.9109 k = 0.4561-0.5916-0.3680 ( 2254 PWs) bands (ev): -68.3338 -68.3338 -35.2829 -35.2829 -35.0023 -35.0023 -34.9869 -34.9869 -12.2417 -12.2417 -10.3108 -10.3108 -1.3286 -1.3286 -0.8714 -0.8714 1.2048 1.2048 1.4341 1.4341 3.3746 3.3746 4.2814 4.2814 9.1366 9.1366 12.2038 12.2038 12.6440 12.6440 14.8984 14.8984 k = 0.4649-0.6030-0.3751 ( 2248 PWs) bands (ev): -68.3338 -68.3338 -35.2829 -35.2829 -35.0023 -35.0023 -34.9869 -34.9869 -12.2375 -12.2375 -10.3095 -10.3095 -1.2977 -1.2977 -0.9072 -0.9072 1.1982 1.1982 1.4311 1.4311 3.3689 3.3689 4.2776 4.2776 9.1172 9.1172 12.2027 12.2027 12.6498 12.6498 14.8881 14.8881 k = 0.4737-0.6144-0.3822 ( 2249 PWs) bands (ev): -68.3338 -68.3338 -35.2829 -35.2829 -35.0023 -35.0023 -34.9870 -34.9870 -12.2341 -12.2341 -10.3086 -10.3086 -1.2695 -1.2695 -0.9393 -0.9393 1.1929 1.1929 1.4288 1.4288 3.3644 3.3644 4.2746 4.2746 9.1020 9.1020 12.2018 12.2018 12.6541 12.6541 14.8800 14.8800 k = 0.4825-0.6257-0.3893 ( 2253 PWs) bands (ev): -68.3338 -68.3338 -35.2830 -35.2830 -35.0024 -35.0024 -34.9870 -34.9870 -12.2317 -12.2317 -10.3079 -10.3079 -1.2456 -1.2456 -0.9659 -0.9659 1.1892 1.1892 1.4272 1.4272 3.3613 3.3613 4.2725 4.2725 9.0911 9.0911 12.2011 12.2011 12.6571 12.6571 14.8741 14.8741 k = 0.4912-0.6371-0.3964 ( 2254 PWs) bands (ev): -68.3338 -68.3338 -35.2830 -35.2830 -35.0024 -35.0024 -34.9870 -34.9870 -12.2302 -12.2302 -10.3075 -10.3075 -1.2290 -1.2290 -0.9842 -0.9842 1.1869 1.1869 1.4262 1.4262 3.3594 3.3594 4.2712 4.2712 9.0846 9.0846 12.2007 12.2007 12.6588 12.6588 14.8706 14.8706 k = 0.5000-0.6485-0.4034 ( 2260 PWs) bands (ev): -68.3338 -68.3338 -35.2830 -35.2830 -35.0024 -35.0024 -34.9871 -34.9871 -12.2298 -12.2298 -10.3073 -10.3073 -1.2229 -1.2229 -0.9909 -0.9909 1.1861 1.1861 1.4258 1.4258 3.3588 3.3588 4.2707 4.2707 9.0824 9.0824 12.2006 12.2006 12.6594 12.6594 14.8694 14.8694 k = 0.5000-0.6485-0.4034 ( 2260 PWs) bands (ev): -68.3338 -68.3338 -35.2830 -35.2830 -35.0024 -35.0024 -34.9871 -34.9871 -12.2298 -12.2298 -10.3073 -10.3073 -1.2229 -1.2229 -0.9909 -0.9909 1.1861 1.1861 1.4258 1.4258 3.3588 3.3588 4.2707 4.2707 9.0824 9.0824 12.2006 12.2006 12.6594 12.6594 14.8694 14.8694 k = 0.5000-0.6402-0.4168 ( 2258 PWs) bands (ev): -68.3338 -68.3338 -35.2830 -35.2830 -35.0024 -35.0024 -34.9871 -34.9871 -12.2296 -12.2296 -10.3073 -10.3073 -1.2224 -1.2224 -0.9901 -0.9901 1.1858 1.1858 1.4239 1.4239 3.3593 3.3593 4.2686 4.2686 9.0832 9.0832 12.1985 12.1985 12.6633 12.6633 14.8730 14.8730 k = 0.5000-0.6318-0.4302 ( 2258 PWs) bands (ev): -68.3338 -68.3338 -35.2830 -35.2830 -35.0024 -35.0024 -34.9871 -34.9871 -12.2292 -12.2292 -10.3071 -10.3071 -1.2210 -1.2210 -0.9878 -0.9878 1.1848 1.1848 1.4183 1.4183 3.3609 3.3609 4.2624 4.2624 9.0856 9.0856 12.1922 12.1922 12.6749 12.6749 14.8835 14.8835 k = 0.5000-0.6235-0.4436 ( 2258 PWs) bands (ev): -68.3338 -68.3338 -35.2830 -35.2830 -35.0024 -35.0024 -34.9871 -34.9871 -12.2285 -12.2285 -10.3069 -10.3069 -1.2187 -1.2187 -0.9841 -0.9841 1.1831 1.1831 1.4091 1.4091 3.3635 3.3635 4.2521 4.2521 9.0895 9.0895 12.1819 12.1819 12.6942 12.6942 14.9008 14.9008 k = 0.5000-0.6151-0.4571 ( 2256 PWs) bands (ev): -68.3338 -68.3338 -35.2830 -35.2830 -35.0024 -35.0024 -34.9872 -34.9872 -12.2275 -12.2275 -10.3065 -10.3065 -1.2155 -1.2155 -0.9788 -0.9788 1.1807 1.1807 1.3962 1.3962 3.3673 3.3673 4.2379 4.2379 9.0950 9.0950 12.1676 12.1676 12.7209 12.7209 14.9249 14.9249 k = 0.5000-0.6068-0.4705 ( 2256 PWs) bands (ev): -68.3338 -68.3338 -35.2830 -35.2830 -35.0023 -35.0023 -34.9873 -34.9873 -12.2262 -12.2262 -10.3060 -10.3060 -1.2114 -1.2114 -0.9721 -0.9721 1.1776 1.1776 1.3798 1.3798 3.3720 3.3720 4.2198 4.2198 9.1021 9.1021 12.1496 12.1496 12.7548 12.7548 14.9555 14.9555 k = 0.5000-0.5985-0.4839 ( 2260 PWs) bands (ev): -68.3338 -68.3338 -35.2831 -35.2831 -35.0023 -35.0023 -34.9874 -34.9874 -12.2247 -12.2247 -10.3055 -10.3055 -1.2064 -1.2064 -0.9639 -0.9639 1.1736 1.1736 1.3600 1.3600 3.3778 3.3778 4.1980 4.1980 9.1106 9.1106 12.1279 12.1279 12.7958 12.7958 14.9921 14.9921 k = 0.5000-0.5901-0.4973 ( 2258 PWs) bands (ev): -68.3338 -68.3338 -35.2831 -35.2831 -35.0023 -35.0023 -34.9875 -34.9875 -12.2230 -12.2230 -10.3048 -10.3048 -1.2005 -1.2005 -0.9542 -0.9542 1.1690 1.1690 1.3369 1.3369 3.3847 3.3847 4.1728 4.1728 9.1207 9.1207 12.1028 12.1028 12.8435 12.8435 15.0344 15.0344 k = 0.5000-0.5818-0.5107 ( 2256 PWs) bands (ev): -68.3338 -68.3338 -35.2831 -35.2831 -35.0022 -35.0022 -34.9876 -34.9876 -12.2209 -12.2209 -10.3041 -10.3041 -1.1938 -1.1938 -0.9430 -0.9430 1.1635 1.1635 1.3108 1.3108 3.3927 3.3927 4.1443 4.1443 9.1323 9.1323 12.0744 12.0744 12.8979 12.8979 15.0818 15.0818 k = 0.5000-0.5734-0.5241 ( 2254 PWs) bands (ev): -68.3338 -68.3338 -35.2831 -35.2831 -35.0021 -35.0021 -34.9877 -34.9877 -12.2187 -12.2187 -10.3033 -10.3033 -1.1862 -1.1862 -0.9304 -0.9304 1.1571 1.1571 1.2818 1.2818 3.4016 3.4016 4.1130 4.1130 9.1454 9.1454 12.0429 12.0429 12.9584 12.9584 15.1338 15.1338 k = 0.5000-0.5651-0.5375 ( 2256 PWs) bands (ev): -68.3338 -68.3338 -35.2831 -35.2831 -35.0021 -35.0021 -34.9878 -34.9878 -12.2162 -12.2162 -10.3025 -10.3025 -1.1778 -1.1778 -0.9164 -0.9164 1.1499 1.1499 1.2501 1.2501 3.4116 3.4116 4.0789 4.0789 9.1598 9.1598 12.0084 12.0084 13.0250 13.0250 15.1896 15.1896 k = 0.5000-0.5568-0.5509 ( 2256 PWs) bands (ev): -68.3338 -68.3338 -35.2832 -35.2832 -35.0020 -35.0020 -34.9880 -34.9880 -12.2135 -12.2135 -10.3016 -10.3016 -1.1685 -1.1685 -0.9009 -0.9009 1.1416 1.1416 1.2160 1.2160 3.4226 3.4226 4.0425 4.0425 9.1757 9.1757 11.9711 11.9711 13.0972 13.0972 15.2483 15.2483 k = 0.5000-0.5484-0.5643 ( 2258 PWs) bands (ev): -68.3338 -68.3338 -35.2832 -35.2832 -35.0020 -35.0020 -34.9882 -34.9882 -12.2107 -12.2107 -10.3007 -10.3007 -1.1585 -1.1585 -0.8841 -0.8841 1.1324 1.1324 1.1796 1.1796 3.4345 3.4345 4.0040 4.0040 9.1930 9.1930 11.9313 11.9313 13.1747 13.1747 15.3088 15.3088 k = 0.5000-0.5401-0.5777 ( 2256 PWs) bands (ev): -68.3338 -68.3338 -35.2832 -35.2832 -35.0019 -35.0019 -34.9883 -34.9883 -12.2076 -12.2076 -10.2998 -10.2998 -1.1477 -1.1477 -0.8658 -0.8658 1.1219 1.1219 1.1413 1.1413 3.4475 3.4475 3.9638 3.9638 9.2116 9.2116 11.8892 11.8892 13.2572 13.2572 15.3698 15.3698 k = 0.5000-0.5317-0.5911 ( 2254 PWs) bands (ev): -68.3337 -68.3337 -35.2833 -35.2833 -35.0018 -35.0018 -34.9885 -34.9885 -12.2044 -12.2044 -10.2988 -10.2988 -1.1361 -1.1361 -0.8462 -0.8462 1.1002 1.1002 1.1113 1.1113 3.4615 3.4615 3.9223 3.9223 9.2315 9.2315 11.8448 11.8448 13.3443 13.3443 15.4296 15.4296 k = 0.5000-0.5234-0.6045 ( 2260 PWs) bands (ev): -68.3337 -68.3337 -35.2833 -35.2833 -35.0017 -35.0017 -34.9887 -34.9887 -12.2011 -12.2011 -10.2979 -10.2979 -1.1239 -1.1239 -0.8253 -0.8253 1.0589 1.0589 1.0983 1.0983 3.4764 3.4764 3.8797 3.8797 9.2528 9.2528 11.7985 11.7985 13.4355 13.4355 15.4863 15.4863 k = 0.5000-0.5151-0.6179 ( 2260 PWs) bands (ev): -68.3337 -68.3337 -35.2834 -35.2834 -35.0017 -35.0017 -34.9889 -34.9889 -12.1976 -12.1976 -10.2970 -10.2970 -1.1110 -1.1110 -0.8031 -0.8031 1.0161 1.0161 1.0844 1.0844 3.4923 3.4923 3.8365 3.8365 9.2752 9.2752 11.7504 11.7504 13.5305 13.5305 15.5376 15.5376 k = 0.5000-0.5067-0.6313 ( 2260 PWs) bands (ev): -68.3337 -68.3337 -35.2834 -35.2834 -35.0016 -35.0016 -34.9891 -34.9891 -12.1941 -12.1941 -10.2962 -10.2962 -1.0975 -1.0975 -0.7797 -0.7797 0.9721 0.9721 1.0691 1.0691 3.5091 3.5091 3.7929 3.7929 9.2990 9.2990 11.7008 11.7008 13.6289 13.6289 15.5809 15.5809 k = 0.5000-0.4984-0.6447 ( 2260 PWs) bands (ev): -68.3337 -68.3337 -35.2834 -35.2834 -35.0015 -35.0015 -34.9893 -34.9893 -12.1905 -12.1905 -10.2954 -10.2954 -1.0833 -1.0833 -0.7550 -0.7550 0.9274 0.9274 1.0525 1.0525 3.5269 3.5269 3.7492 3.7492 9.3239 9.3239 11.6498 11.6498 13.7301 13.7301 15.6137 15.6137 k = 0.5000-0.4900-0.6581 ( 2268 PWs) bands (ev): -68.3337 -68.3337 -35.2835 -35.2835 -35.0014 -35.0014 -34.9895 -34.9895 -12.1868 -12.1868 -10.2948 -10.2948 -1.0686 -1.0686 -0.7291 -0.7291 0.8822 0.8822 1.0345 1.0345 3.5455 3.5455 3.7059 3.7059 9.3500 9.3500 11.5977 11.5977 13.8337 13.8337 15.6347 15.6347 k = 0.5000-0.4817-0.6715 ( 2262 PWs) bands (ev): -68.3337 -68.3337 -35.2835 -35.2835 -35.0013 -35.0013 -34.9896 -34.9896 -12.1831 -12.1831 -10.2942 -10.2942 -1.0534 -1.0534 -0.7020 -0.7020 0.8367 0.8367 1.0149 1.0149 3.5651 3.5651 3.6632 3.6632 9.3773 9.3773 11.5446 11.5446 13.9394 13.9394 15.6434 15.6434 k = 0.5000-0.4734-0.6850 ( 2256 PWs) bands (ev): -68.3337 -68.3337 -35.2835 -35.2835 -35.0012 -35.0012 -34.9898 -34.9898 -12.1795 -12.1795 -10.2937 -10.2937 -1.0377 -1.0377 -0.6738 -0.6738 0.7913 0.7913 0.9939 0.9939 3.5852 3.5852 3.6217 3.6217 9.4057 9.4057 11.4908 11.4908 14.0465 14.0465 15.6408 15.6408 k = 0.5000-0.4650-0.6984 ( 2258 PWs) bands (ev): -68.3337 -68.3337 -35.2836 -35.2836 -35.0012 -35.0012 -34.9900 -34.9900 -12.1758 -12.1758 -10.2935 -10.2935 -1.0216 -1.0216 -0.6446 -0.6446 0.7460 0.7460 0.9713 0.9713 3.5798 3.5798 3.6078 3.6078 9.4352 9.4352 11.4365 11.4365 14.1546 14.1546 15.6287 15.6287 k = 0.5000-0.4567-0.7118 ( 2258 PWs) bands (ev): -68.3337 -68.3337 -35.2836 -35.2836 -35.0011 -35.0011 -34.9902 -34.9902 -12.1722 -12.1722 -10.2933 -10.2933 -1.0051 -1.0051 -0.6143 -0.6143 0.7013 0.7013 0.9471 0.9471 3.5411 3.5411 3.6294 3.6294 9.4658 9.4658 11.3817 11.3817 14.2632 14.2632 15.6091 15.6091 k = 0.5000-0.4483-0.7252 ( 2256 PWs) bands (ev): -68.3337 -68.3337 -35.2836 -35.2836 -35.0010 -35.0010 -34.9903 -34.9903 -12.1687 -12.1687 -10.2934 -10.2934 -0.9883 -0.9883 -0.5831 -0.5831 0.6572 0.6572 0.9213 0.9213 3.5036 3.5036 3.6523 3.6523 9.4974 9.4974 11.3268 11.3268 14.3718 14.3718 15.5838 15.5838 k = 0.5000-0.4400-0.7386 ( 2256 PWs) bands (ev): -68.3337 -68.3337 -35.2837 -35.2837 -35.0009 -35.0009 -34.9905 -34.9905 -12.1653 -12.1653 -10.2937 -10.2937 -0.9713 -0.9713 -0.5510 -0.5510 0.6141 0.6141 0.8939 0.8939 3.4680 3.4680 3.6761 3.6761 9.5300 9.5300 11.2719 11.2719 14.4800 14.4800 15.5540 15.5540 k = 0.5000-0.4317-0.7520 ( 2250 PWs) bands (ev): -68.3336 -68.3336 -35.2837 -35.2837 -35.0009 -35.0009 -34.9906 -34.9906 -12.1621 -12.1621 -10.2942 -10.2942 -0.9540 -0.9540 -0.5181 -0.5181 0.5721 0.5721 0.8651 0.8651 3.4344 3.4344 3.7006 3.7006 9.5635 9.5635 11.2171 11.2171 14.5872 14.5872 15.5211 15.5211 k = 0.5000-0.4233-0.7654 ( 2254 PWs) bands (ev): -68.3336 -68.3336 -35.2837 -35.2837 -35.0008 -35.0008 -34.9907 -34.9907 -12.1590 -12.1590 -10.2949 -10.2949 -0.9366 -0.9366 -0.4845 -0.4845 0.5315 0.5315 0.8347 0.8347 3.4031 3.4031 3.7259 3.7259 9.5980 9.5980 11.1627 11.1627 14.6929 14.6929 15.4858 15.4858 k = 0.5000-0.4150-0.7788 ( 2256 PWs) bands (ev): -68.3336 -68.3336 -35.2837 -35.2837 -35.0008 -35.0008 -34.9908 -34.9908 -12.1561 -12.1561 -10.2960 -10.2960 -0.9192 -0.9192 -0.4502 -0.4502 0.4924 0.4924 0.8030 0.8030 3.3742 3.3742 3.7519 3.7519 9.6334 9.6334 11.1087 11.1087 14.7966 14.7966 15.4488 15.4488 k = 0.5000-0.4066-0.7922 ( 2260 PWs) bands (ev): -68.3336 -68.3336 -35.2838 -35.2838 -35.0008 -35.0008 -34.9909 -34.9909 -12.1534 -12.1534 -10.2973 -10.2973 -0.9017 -0.9017 -0.4154 -0.4154 0.4551 0.4551 0.7700 0.7700 3.3477 3.3477 3.7786 3.7786 9.6697 9.6697 11.0554 11.0554 14.8980 14.8980 15.4107 15.4107 k = 0.5000-0.3983-0.8056 ( 2262 PWs) bands (ev): -68.3336 -68.3336 -35.2838 -35.2838 -35.0007 -35.0007 -34.9910 -34.9910 -12.1510 -12.1510 -10.2989 -10.2989 -0.8842 -0.8842 -0.3802 -0.3802 0.4196 0.4196 0.7358 0.7358 3.3239 3.3239 3.8061 3.8061 9.7067 9.7067 11.0028 11.0028 14.9965 14.9965 15.3719 15.3719 k = 0.5000-0.3900-0.8190 ( 2264 PWs) bands (ev): -68.3336 -68.3336 -35.2838 -35.2838 -35.0007 -35.0007 -34.9911 -34.9911 -12.1488 -12.1488 -10.3009 -10.3009 -0.8668 -0.8668 -0.3448 -0.3448 0.3862 0.3862 0.7008 0.7008 3.3028 3.3028 3.8341 3.8341 9.7446 9.7446 10.9512 10.9512 15.0917 15.0917 15.3328 15.3328 k = 0.5000-0.3816-0.8324 ( 2262 PWs) bands (ev): -68.3336 -68.3336 -35.2838 -35.2838 -35.0007 -35.0007 -34.9911 -34.9911 -12.1469 -12.1469 -10.3032 -10.3032 -0.8495 -0.8495 -0.3094 -0.3094 0.3551 0.3551 0.6651 0.6651 3.2844 3.2844 3.8628 3.8628 9.7832 9.7832 10.9006 10.9006 15.1833 15.1833 15.2938 15.2938 k = 0.5000-0.3733-0.8458 ( 2262 PWs) bands (ev): -68.3336 -68.3336 -35.2838 -35.2838 -35.0007 -35.0007 -34.9911 -34.9911 -12.1454 -12.1454 -10.3059 -10.3059 -0.8324 -0.8324 -0.2742 -0.2742 0.3263 0.3263 0.6291 0.6291 3.2687 3.2687 3.8921 3.8921 9.8225 9.8225 10.8512 10.8512 15.2547 15.2547 15.2710 15.2710 k = 0.5000-0.3649-0.8592 ( 2262 PWs) bands (ev): -68.3336 -68.3336 -35.2838 -35.2838 -35.0007 -35.0007 -34.9911 -34.9911 -12.1442 -12.1442 -10.3089 -10.3089 -0.8155 -0.8155 -0.2396 -0.2396 0.3000 0.3000 0.5931 0.5931 3.2558 3.2558 3.9220 3.9220 9.8625 9.8625 10.8032 10.8032 15.2167 15.2167 15.3535 15.3535 k = 0.5000-0.3566-0.8726 ( 2262 PWs) bands (ev): -68.3336 -68.3336 -35.2838 -35.2838 -35.0007 -35.0007 -34.9910 -34.9910 -12.1434 -12.1434 -10.3123 -10.3123 -0.7989 -0.7989 -0.2061 -0.2061 0.2763 0.2763 0.5576 0.5576 3.2457 3.2457 3.9524 3.9524 9.9031 9.9031 10.7565 10.7565 15.1793 15.1793 15.4312 15.4312 k = 0.5000-0.3483-0.8860 ( 2252 PWs) bands (ev): -68.3336 -68.3336 -35.2837 -35.2837 -35.0007 -35.0007 -34.9909 -34.9909 -12.1429 -12.1429 -10.3162 -10.3162 -0.7824 -0.7824 -0.1741 -0.1741 0.2552 0.2552 0.5235 0.5235 3.2383 3.2383 3.9833 3.9833 9.9442 9.9442 10.7114 10.7114 15.1428 15.1428 15.5030 15.5030 k = 0.5000-0.3399-0.8994 ( 2250 PWs) bands (ev): -68.3336 -68.3336 -35.2837 -35.2837 -35.0007 -35.0007 -34.9909 -34.9909 -12.1429 -12.1429 -10.3205 -10.3205 -0.7662 -0.7662 -0.1446 -0.1446 0.2368 0.2368 0.4913 0.4913 3.2335 3.2335 4.0147 4.0147 9.9859 9.9859 10.6679 10.6679 15.1074 15.1074 15.5678 15.5678 k = 0.5000-0.3316-0.9129 ( 2246 PWs) bands (ev): -68.3336 -68.3336 -35.2837 -35.2837 -35.0007 -35.0007 -34.9908 -34.9908 -12.1433 -12.1433 -10.3252 -10.3252 -0.7501 -0.7501 -0.1186 -0.1186 0.2210 0.2210 0.4625 0.4625 3.2315 3.2315 4.0466 4.0466 10.0280 10.0280 10.6261 10.6261 15.0735 15.0735 15.6235 15.6235 k = 0.8065-0.2271-0.7009 ( 2246 PWs) bands (ev): -68.3336 -68.3336 -35.2837 -35.2837 -35.0007 -35.0007 -34.9908 -34.9908 -12.1433 -12.1433 -10.3252 -10.3252 -0.7501 -0.7501 -0.1186 -0.1186 0.2210 0.2210 0.4625 0.4625 3.2315 3.2315 4.0466 4.0466 10.0280 10.0280 10.6261 10.6261 15.0735 15.0735 15.6235 15.6235 k = 0.8013-0.2204-0.6872 ( 2238 PWs) bands (ev): -68.3336 -68.3336 -35.2836 -35.2836 -35.0007 -35.0007 -34.9906 -34.9906 -12.1441 -12.1441 -10.3304 -10.3304 -0.7339 -0.7339 -0.0971 -0.0971 0.2078 0.2078 0.4378 0.4378 3.2321 3.2321 4.0795 4.0795 10.0714 10.0714 10.5855 10.5855 15.0403 15.0403 15.6668 15.6668 k = 0.7961-0.2137-0.6735 ( 2242 PWs) bands (ev): -68.3336 -68.3336 -35.2836 -35.2836 -35.0008 -35.0008 -34.9905 -34.9905 -12.1455 -12.1455 -10.3361 -10.3361 -0.7178 -0.7178 -0.0823 -0.0823 0.1972 0.1972 0.4197 0.4197 3.2354 3.2354 4.1128 4.1128 10.1151 10.1151 10.5467 10.5467 15.0090 15.0090 15.6883 15.6883 k = 0.7909-0.2069-0.6598 ( 2240 PWs) bands (ev): -68.3337 -68.3337 -35.2835 -35.2835 -35.0008 -35.0008 -34.9903 -34.9903 -12.1473 -12.1473 -10.3423 -10.3423 -0.7016 -0.7016 -0.0758 -0.0758 0.1894 0.1894 0.4099 0.4099 3.2413 3.2413 4.1464 4.1464 10.1592 10.1592 10.5101 10.5101 14.9795 14.9795 15.6764 15.6764 k = 0.7857-0.2002-0.6462 ( 2240 PWs) bands (ev): -68.3337 -68.3337 -35.2835 -35.2835 -35.0008 -35.0008 -34.9902 -34.9902 -12.1496 -12.1496 -10.3490 -10.3490 -0.6853 -0.6853 -0.0785 -0.0785 0.1842 0.1842 0.4093 0.4093 3.2498 3.2498 4.1804 4.1804 10.2035 10.2035 10.4756 10.4756 14.9520 14.9520 15.6265 15.6265 k = 0.7805-0.1935-0.6325 ( 2238 PWs) bands (ev): -68.3337 -68.3337 -35.2834 -35.2834 -35.0008 -35.0008 -34.9900 -34.9900 -12.1525 -12.1525 -10.3562 -10.3562 -0.6688 -0.6688 -0.0905 -0.0905 0.1814 0.1814 0.4180 0.4180 3.2608 3.2608 4.2147 4.2147 10.2480 10.2480 10.4435 10.4435 14.9267 14.9267 15.5479 15.5479 k = 0.7753-0.1867-0.6188 ( 2238 PWs) bands (ev): -68.3337 -68.3337 -35.2833 -35.2833 -35.0009 -35.0009 -34.9898 -34.9898 -12.1558 -12.1558 -10.3638 -10.3638 -0.6518 -0.6518 -0.1107 -0.1107 0.1810 0.1810 0.4351 0.4351 3.2743 3.2743 4.2492 4.2492 10.2927 10.2927 10.4136 10.4136 14.9037 14.9037 15.4521 15.4521 k = 0.7701-0.1800-0.6051 ( 2236 PWs) bands (ev): -68.3337 -68.3337 -35.2832 -35.2832 -35.0009 -35.0009 -34.9896 -34.9896 -12.1597 -12.1597 -10.3719 -10.3719 -0.6344 -0.6344 -0.1375 -0.1375 0.1828 0.1828 0.4589 0.4589 3.2902 3.2902 4.2840 4.2840 10.3372 10.3372 10.3863 10.3863 14.8831 14.8831 15.3465 15.3465 k = 0.7649-0.1732-0.5915 ( 2236 PWs) bands (ev): -68.3337 -68.3337 -35.2831 -35.2831 -35.0009 -35.0009 -34.9893 -34.9893 -12.1641 -12.1641 -10.3805 -10.3805 -0.6162 -0.6162 -0.1693 -0.1693 0.1866 0.1866 0.4878 0.4878 3.3085 3.3085 4.3189 4.3189 10.3606 10.3606 10.3826 10.3826 14.8650 14.8650 15.2347 15.2347 k = 0.7597-0.1665-0.5778 ( 2236 PWs) bands (ev): -68.3338 -68.3338 -35.2830 -35.2830 -35.0009 -35.0009 -34.9891 -34.9891 -12.1691 -12.1691 -10.3896 -10.3896 -0.5972 -0.5972 -0.2048 -0.2048 0.1922 0.1922 0.5206 0.5206 3.3291 3.3291 4.3539 4.3539 10.3384 10.3384 10.4269 10.4269 14.8495 14.8495 15.1188 15.1188 k = 0.7545-0.1598-0.5641 ( 2236 PWs) bands (ev): -68.3338 -68.3338 -35.2829 -35.2829 -35.0009 -35.0009 -34.9888 -34.9888 -12.1745 -12.1745 -10.3991 -10.3991 -0.5773 -0.5773 -0.2427 -0.2427 0.1996 0.1996 0.5561 0.5561 3.3519 3.3519 4.3890 4.3890 10.3186 10.3186 10.4713 10.4713 14.8366 14.8366 14.9998 14.9998 k = 0.7493-0.1530-0.5504 ( 2236 PWs) bands (ev): -68.3338 -68.3338 -35.2828 -35.2828 -35.0009 -35.0009 -34.9886 -34.9886 -12.1805 -12.1805 -10.4091 -10.4091 -0.5562 -0.5562 -0.2824 -0.2824 0.2085 0.2085 0.5935 0.5935 3.3769 3.3769 4.4241 4.4241 10.3013 10.3013 10.5156 10.5156 14.8265 14.8265 14.8787 14.8787 k = 0.7442-0.1463-0.5368 ( 2242 PWs) bands (ev): -68.3338 -68.3338 -35.2827 -35.2827 -35.0009 -35.0009 -34.9883 -34.9883 -12.1869 -12.1869 -10.4195 -10.4195 -0.5340 -0.5340 -0.3231 -0.3231 0.2187 0.2187 0.6322 0.6322 3.4041 3.4041 4.4593 4.4593 10.2866 10.2866 10.5596 10.5596 14.7557 14.7557 14.8192 14.8192 k = 0.7390-0.1396-0.5231 ( 2246 PWs) bands (ev): -68.3339 -68.3339 -35.2826 -35.2826 -35.0008 -35.0008 -34.9881 -34.9881 -12.1939 -12.1939 -10.4303 -10.4303 -0.5104 -0.5104 -0.3646 -0.3646 0.2302 0.2302 0.6717 0.6717 3.4334 3.4334 4.4943 4.4943 10.2747 10.2747 10.6033 10.6033 14.6315 14.6315 14.8147 14.8147 k = 0.7338-0.1328-0.5094 ( 2244 PWs) bands (ev): -68.3339 -68.3339 -35.2824 -35.2824 -35.0008 -35.0008 -34.9878 -34.9878 -12.2013 -12.2013 -10.4415 -10.4415 -0.4855 -0.4855 -0.4063 -0.4063 0.2428 0.2428 0.7119 0.7119 3.4649 3.4649 4.5294 4.5294 10.2654 10.2654 10.6466 10.6466 14.5062 14.5062 14.8129 14.8129 k = 0.7286-0.1261-0.4957 ( 2248 PWs) bands (ev): -68.3339 -68.3339 -35.2823 -35.2823 -35.0008 -35.0008 -34.9875 -34.9875 -12.2092 -12.2092 -10.4531 -10.4531 -0.4592 -0.4592 -0.4480 -0.4480 0.2564 0.2564 0.7522 0.7522 3.4983 3.4983 4.5642 4.5642 10.2589 10.2589 10.6894 10.6894 14.3800 14.3800 14.8139 14.8139 k = 0.7234-0.1193-0.4821 ( 2246 PWs) bands (ev): -68.3339 -68.3339 -35.2822 -35.2822 -35.0007 -35.0007 -34.9872 -34.9872 -12.2176 -12.2176 -10.4651 -10.4651 -0.4897 -0.4897 -0.4313 -0.4313 0.2709 0.2709 0.7926 0.7926 3.5337 3.5337 4.5989 4.5989 10.2552 10.2552 10.7317 10.7317 14.2532 14.2532 14.8177 14.8177 k = 0.7182-0.1126-0.4684 ( 2246 PWs) bands (ev): -68.3340 -68.3340 -35.2820 -35.2820 -35.0007 -35.0007 -34.9869 -34.9869 -12.2263 -12.2263 -10.4775 -10.4775 -0.5311 -0.5311 -0.4020 -0.4020 0.2862 0.2862 0.8328 0.8328 3.5711 3.5711 4.6334 4.6334 10.2543 10.2543 10.7734 10.7734 14.1259 14.1259 14.8240 14.8240 k = 0.7130-0.1059-0.4547 ( 2248 PWs) bands (ev): -68.3340 -68.3340 -35.2818 -35.2818 -35.0006 -35.0006 -34.9866 -34.9866 -12.2355 -12.2355 -10.4902 -10.4902 -0.5720 -0.5720 -0.3712 -0.3712 0.3023 0.3023 0.8728 0.8728 3.6103 3.6103 4.6676 4.6676 10.2560 10.2560 10.8144 10.8144 13.9983 13.9983 14.8327 14.8327 k = 0.7078-0.0991-0.4410 ( 2248 PWs) bands (ev): -68.3340 -68.3340 -35.2817 -35.2817 -35.0005 -35.0005 -34.9863 -34.9863 -12.2451 -12.2451 -10.5031 -10.5031 -0.6124 -0.6124 -0.3391 -0.3391 0.3191 0.3191 0.9123 0.9123 3.6514 3.6514 4.7016 4.7016 10.2606 10.2606 10.8547 10.8547 13.8705 13.8705 14.8436 14.8436 k = 0.7026-0.0924-0.4274 ( 2250 PWs) bands (ev): -68.3341 -68.3341 -35.2815 -35.2815 -35.0004 -35.0004 -34.9859 -34.9859 -12.2550 -12.2550 -10.5164 -10.5164 -0.6522 -0.6522 -0.3057 -0.3057 0.3368 0.3368 0.9513 0.9513 3.6943 3.6943 4.7351 4.7351 10.2679 10.2679 10.8942 10.8942 13.7426 13.7426 14.8564 14.8564 k = 0.6974-0.0857-0.4137 ( 2250 PWs) bands (ev): -68.3341 -68.3341 -35.2813 -35.2813 -35.0004 -35.0004 -34.9856 -34.9856 -12.2652 -12.2652 -10.5298 -10.5298 -0.6914 -0.6914 -0.2711 -0.2711 0.3552 0.3552 0.9896 0.9896 3.7389 3.7389 4.7682 4.7682 10.2780 10.2780 10.9329 10.9329 13.6148 13.6148 14.8707 14.8707 k = 0.6922-0.0789-0.4000 ( 2256 PWs) bands (ev): -68.3342 -68.3342 -35.2811 -35.2811 -35.0003 -35.0003 -34.9853 -34.9853 -12.2758 -12.2758 -10.5435 -10.5435 -0.7298 -0.7298 -0.2354 -0.2354 0.3744 0.3744 1.0272 1.0272 3.7852 3.7852 4.8009 4.8009 10.2907 10.2907 10.9707 10.9707 13.4871 13.4871 14.8858 14.8858 k = 0.6870-0.0722-0.3863 ( 2256 PWs) bands (ev): -68.3342 -68.3342 -35.2809 -35.2809 -35.0002 -35.0002 -34.9849 -34.9849 -12.2866 -12.2866 -10.5574 -10.5574 -0.7674 -0.7674 -0.1990 -0.1990 0.3946 0.3946 1.0641 1.0641 3.8330 3.8330 4.8331 4.8331 10.3061 10.3061 11.0076 11.0076 13.3597 13.3597 14.9012 14.9012 k = 0.6818-0.0654-0.3727 ( 2252 PWs) bands (ev): -68.3342 -68.3342 -35.2807 -35.2807 -35.0001 -35.0001 -34.9846 -34.9846 -12.2976 -12.2976 -10.5714 -10.5714 -0.8042 -0.8042 -0.1619 -0.1619 0.4160 0.4160 1.1000 1.1000 3.8824 3.8824 4.8648 4.8648 10.3241 10.3241 11.0435 11.0435 13.2327 13.2327 14.9159 14.9159 k = 0.6766-0.0587-0.3590 ( 2250 PWs) bands (ev): -68.3343 -68.3343 -35.2805 -35.2805 -35.0000 -35.0000 -34.9842 -34.9842 -12.3089 -12.3089 -10.5855 -10.5855 -0.8401 -0.8401 -0.1246 -0.1246 0.4385 0.4385 1.1351 1.1351 3.9332 3.9332 4.8958 4.8958 10.3446 10.3446 11.0784 11.0784 13.1062 13.1062 14.9289 14.9289 k = 0.6714-0.0520-0.3453 ( 2254 PWs) bands (ev): -68.3343 -68.3343 -35.2803 -35.2803 -34.9999 -34.9999 -34.9839 -34.9839 -12.3203 -12.3203 -10.5997 -10.5997 -0.8752 -0.8752 -0.0872 -0.0872 0.4625 0.4625 1.1692 1.1692 3.9853 3.9853 4.9263 4.9263 10.3676 10.3676 11.1122 11.1122 12.9803 12.9803 14.9389 14.9389 k = 0.6662-0.0452-0.3316 ( 2254 PWs) bands (ev): -68.3344 -68.3344 -35.2801 -35.2801 -34.9997 -34.9997 -34.9835 -34.9835 -12.3319 -12.3319 -10.6140 -10.6140 -0.9094 -0.9094 -0.0503 -0.0503 0.4882 0.4882 1.2023 1.2023 4.0387 4.0387 4.9561 4.9561 10.3930 10.3930 11.1449 11.1449 12.8551 12.8551 14.9448 14.9448 k = 0.6610-0.0385-0.3180 ( 2254 PWs) bands (ev): -68.3344 -68.3344 -35.2799 -35.2799 -34.9996 -34.9996 -34.9831 -34.9831 -12.3435 -12.3435 -10.6283 -10.6283 -0.9426 -0.9426 -0.0140 -0.0140 0.5159 0.5159 1.2344 1.2344 4.0932 4.0932 4.9852 4.9852 10.4206 10.4206 11.1766 11.1766 12.7308 12.7308 14.9452 14.9452 k = 0.6558-0.0318-0.3043 ( 2252 PWs) bands (ev): -68.3344 -68.3344 -35.2797 -35.2797 -34.9995 -34.9995 -34.9828 -34.9828 -12.3552 -12.3552 -10.6426 -10.6426 -0.9749 -0.9749 0.0211 0.0211 0.5458 0.5458 1.2653 1.2653 4.1488 4.1488 5.0135 5.0135 10.4504 10.4504 11.2071 11.2071 12.6077 12.6077 14.9393 14.9393 k = 0.6506-0.0250-0.2906 ( 2252 PWs) bands (ev): -68.3345 -68.3345 -35.2795 -35.2795 -34.9994 -34.9994 -34.9824 -34.9824 -12.3670 -12.3670 -10.6568 -10.6568 -1.0063 -1.0063 0.0547 0.0547 0.5781 0.5781 1.2952 1.2952 4.2053 4.2053 5.0411 5.0411 10.4821 10.4821 11.2364 11.2364 12.4857 12.4857 14.9263 14.9263 k = 0.6455-0.0183-0.2769 ( 2250 PWs) bands (ev): -68.3345 -68.3345 -35.2793 -35.2793 -34.9993 -34.9993 -34.9820 -34.9820 -12.3787 -12.3787 -10.6709 -10.6709 -1.0366 -1.0366 0.0865 0.0865 0.6130 0.6130 1.3240 1.3240 4.2626 4.2626 5.0679 5.0679 10.5157 10.5157 11.2646 11.2646 12.3652 12.3652 14.9062 14.9062 k = 0.6403-0.0115-0.2633 ( 2254 PWs) bands (ev): -68.3346 -68.3346 -35.2791 -35.2791 -34.9992 -34.9992 -34.9816 -34.9816 -12.3904 -12.3904 -10.6849 -10.6849 -1.0660 -1.0660 0.1162 0.1162 0.6507 0.6507 1.3517 1.3517 4.3206 4.3206 5.0939 5.0939 10.5507 10.5507 11.2916 11.2916 12.2463 12.2463 14.8792 14.8792 k = 0.6351-0.0048-0.2496 ( 2258 PWs) bands (ev): -68.3346 -68.3346 -35.2789 -35.2789 -34.9991 -34.9991 -34.9813 -34.9813 -12.4021 -12.4021 -10.6987 -10.6987 -1.0944 -1.0944 0.1437 0.1437 0.6911 0.6911 1.3782 1.3782 4.3790 4.3790 5.1191 5.1191 10.5871 10.5871 11.3174 11.3174 12.1294 12.1294 14.8460 14.8460 k = 0.6299 0.0019-0.2359 ( 2266 PWs) bands (ev): -68.3347 -68.3347 -35.2787 -35.2787 -34.9990 -34.9990 -34.9809 -34.9809 -12.4136 -12.4136 -10.7124 -10.7124 -1.1218 -1.1218 0.1688 0.1688 0.7341 0.7341 1.4036 1.4036 4.4379 4.4379 5.1433 5.1433 10.6245 10.6245 11.3420 11.3420 12.0148 12.0148 14.8074 14.8074 k = 0.6247 0.0087-0.2222 ( 2266 PWs) bands (ev): -68.3347 -68.3347 -35.2785 -35.2785 -34.9989 -34.9989 -34.9806 -34.9806 -12.4250 -12.4250 -10.7258 -10.7258 -1.1483 -1.1483 0.1916 0.1916 0.7796 0.7796 1.4278 1.4278 4.4969 4.4969 5.1666 5.1666 10.6624 10.6624 11.3654 11.3654 11.9031 11.9031 14.7643 14.7643 k = 0.6195 0.0154-0.2085 ( 2272 PWs) bands (ev): -68.3347 -68.3347 -35.2783 -35.2783 -34.9988 -34.9988 -34.9802 -34.9802 -12.4362 -12.4362 -10.7390 -10.7390 -1.1736 -1.1736 0.2121 0.2121 0.8272 0.8272 1.4509 1.4509 4.5560 4.5560 5.1891 5.1891 10.7001 10.7001 11.3877 11.3877 11.7947 11.7947 14.7175 14.7175 k = 0.6143 0.0221-0.1949 ( 2268 PWs) bands (ev): -68.3348 -68.3348 -35.2781 -35.2781 -34.9987 -34.9987 -34.9798 -34.9798 -12.4472 -12.4472 -10.7518 -10.7518 -1.1979 -1.1979 0.2306 0.2306 0.8768 0.8768 1.4728 1.4728 4.6149 4.6149 5.2105 5.2105 10.7370 10.7370 11.4088 11.4088 11.6906 11.6906 14.6678 14.6678 k = 0.6091 0.0289-0.1812 ( 2268 PWs) bands (ev): -68.3348 -68.3348 -35.2779 -35.2779 -34.9986 -34.9986 -34.9795 -34.9795 -12.4579 -12.4579 -10.7644 -10.7644 -1.2212 -1.2212 0.2472 0.2472 0.9278 0.9278 1.4936 1.4936 4.6735 4.6735 5.2311 5.2311 10.7716 10.7716 11.4287 11.4287 11.5921 11.5921 14.6160 14.6160 k = 0.6039 0.0356-0.1675 ( 2274 PWs) bands (ev): -68.3349 -68.3349 -35.2778 -35.2778 -34.9985 -34.9985 -34.9792 -34.9792 -12.4684 -12.4684 -10.7766 -10.7766 -1.2434 -1.2434 0.2620 0.2620 0.9798 0.9798 1.5133 1.5133 4.7315 4.7315 5.2506 5.2506 10.8021 10.8021 11.4474 11.4474 11.5011 11.5011 14.5626 14.5626 k = 0.5987 0.0424-0.1538 ( 2272 PWs) bands (ev): -68.3349 -68.3349 -35.2776 -35.2776 -34.9984 -34.9984 -34.9788 -34.9788 -12.4786 -12.4786 -10.7883 -10.7883 -1.2646 -1.2646 0.2751 0.2751 1.0326 1.0326 1.5319 1.5319 4.7888 4.7888 5.2692 5.2692 10.8253 10.8253 11.4204 11.4204 11.4652 11.4652 14.5084 14.5084 k = 0.5935 0.0491-0.1402 ( 2272 PWs) bands (ev): -68.3349 -68.3349 -35.2774 -35.2774 -34.9983 -34.9983 -34.9785 -34.9785 -12.4884 -12.4884 -10.7997 -10.7997 -1.2848 -1.2848 0.2869 0.2869 1.0857 1.0857 1.5494 1.5494 4.8451 4.8451 5.2869 5.2869 10.8368 10.8368 11.3551 11.3551 11.4818 11.4818 14.4537 14.4537 k = 0.5883 0.0558-0.1265 ( 2276 PWs) bands (ev): -68.3350 -68.3350 -35.2772 -35.2772 -34.9982 -34.9982 -34.9782 -34.9782 -12.4979 -12.4979 -10.8107 -10.8107 -1.3039 -1.3039 0.2974 0.2974 1.1388 1.1388 1.5659 1.5659 4.9002 4.9002 5.3035 5.3035 10.8312 10.8312 11.3100 11.3100 11.4972 11.4972 14.3991 14.3991 k = 0.5831 0.0626-0.1128 ( 2274 PWs) bands (ev): -68.3350 -68.3350 -35.2771 -35.2771 -34.9981 -34.9981 -34.9778 -34.9778 -12.5070 -12.5070 -10.8211 -10.8211 -1.3219 -1.3219 0.3067 0.3067 1.1913 1.1913 1.5812 1.5812 4.9539 4.9539 5.3192 5.3192 10.8055 10.8055 11.2885 11.2885 11.5116 11.5116 14.3451 14.3451 k = 0.5779 0.0693-0.0991 ( 2274 PWs) bands (ev): -68.3350 -68.3350 -35.2769 -35.2769 -34.9981 -34.9981 -34.9776 -34.9776 -12.5156 -12.5156 -10.8311 -10.8311 -1.3389 -1.3389 0.3150 0.3150 1.2430 1.2430 1.5955 1.5955 5.0060 5.0060 5.3339 5.3339 10.7618 10.7618 11.2882 11.2882 11.5250 11.5250 14.2920 14.2920 k = 0.5727 0.0760-0.0855 ( 2276 PWs) bands (ev): -68.3351 -68.3351 -35.2768 -35.2768 -34.9980 -34.9980 -34.9773 -34.9773 -12.5238 -12.5238 -10.8405 -10.8405 -1.3548 -1.3548 0.3224 0.3224 1.2935 1.2935 1.6088 1.6088 5.0561 5.0561 5.3476 5.3476 10.7059 10.7059 11.3033 11.3033 11.5374 11.5374 14.2402 14.2402 k = 0.5675 0.0828-0.0718 ( 2276 PWs) bands (ev): -68.3351 -68.3351 -35.2766 -35.2766 -34.9979 -34.9979 -34.9770 -34.9770 -12.5316 -12.5316 -10.8494 -10.8494 -1.3696 -1.3696 0.3289 0.3289 1.3425 1.3425 1.6210 1.6210 5.1042 5.1042 5.3604 5.3604 10.6439 10.6439 11.3278 11.3278 11.5488 11.5488 14.1901 14.1901 k = 0.5623 0.0895-0.0581 ( 2278 PWs) bands (ev): -68.3351 -68.3351 -35.2765 -35.2765 -34.9979 -34.9979 -34.9768 -34.9768 -12.5389 -12.5389 -10.8577 -10.8577 -1.3833 -1.3833 0.3347 0.3347 1.3894 1.3894 1.6323 1.6323 5.1499 5.1499 5.3721 5.3721 10.5798 10.5798 11.3575 11.3575 11.5592 11.5592 14.1422 14.1422 k = 0.5571 0.0963-0.0444 ( 2282 PWs) bands (ev): -68.3352 -68.3352 -35.2764 -35.2764 -34.9978 -34.9978 -34.9765 -34.9765 -12.5456 -12.5456 -10.8655 -10.8655 -1.3959 -1.3959 0.3398 0.3398 1.4341 1.4341 1.6426 1.6426 5.1930 5.1930 5.3829 5.3829 10.5164 10.5164 11.3897 11.3897 11.5687 11.5687 14.0966 14.0966 k = 0.5519 0.1030-0.0308 ( 2282 PWs) bands (ev): -68.3352 -68.3352 -35.2763 -35.2763 -34.9978 -34.9978 -34.9763 -34.9763 -12.5519 -12.5519 -10.8726 -10.8726 -1.4075 -1.4075 0.3443 0.3443 1.4763 1.4763 1.6519 1.6519 5.2332 5.2332 5.3928 5.3928 10.4555 10.4555 11.4225 11.4225 11.5773 11.5773 14.0538 14.0538 k = 0.5468 0.1097-0.0171 ( 2276 PWs) bands (ev): -68.3352 -68.3352 -35.2762 -35.2762 -34.9977 -34.9977 -34.9761 -34.9761 -12.5576 -12.5576 -10.8791 -10.8791 -1.4179 -1.4179 0.3483 0.3483 1.5155 1.5155 1.6604 1.6604 5.2704 5.2704 5.4017 5.4017 10.3981 10.3981 11.4547 11.4547 11.5851 11.5851 14.0141 14.0141 k = 0.5416 0.1165-0.0034 ( 2274 PWs) bands (ev): -68.3352 -68.3352 -35.2761 -35.2761 -34.9977 -34.9977 -34.9759 -34.9759 -12.5627 -12.5627 -10.8849 -10.8849 -1.4273 -1.4273 0.3517 0.3517 1.5514 1.5514 1.6679 1.6679 5.3043 5.3043 5.4097 5.4097 10.3452 10.3452 11.4854 11.4854 11.5919 11.5919 13.9777 13.9777 k = 0.5364 0.1232 0.0103 ( 2270 PWs) bands (ev): -68.3352 -68.3352 -35.2760 -35.2760 -34.9976 -34.9976 -34.9757 -34.9757 -12.5673 -12.5673 -10.8901 -10.8901 -1.4356 -1.4356 0.3546 0.3546 1.5839 1.5839 1.6745 1.6745 5.3347 5.3347 5.4168 5.4168 10.2973 10.2973 11.5139 11.5139 11.5979 11.5979 13.9449 13.9449 k = 0.5312 0.1299 0.0239 ( 2268 PWs) bands (ev): -68.3352 -68.3352 -35.2759 -35.2759 -34.9976 -34.9976 -34.9756 -34.9756 -12.5713 -12.5713 -10.8947 -10.8947 -1.4428 -1.4428 0.3571 0.3571 1.6126 1.6126 1.6802 1.6802 5.3614 5.3614 5.4230 5.4230 10.2549 10.2549 11.5397 11.5397 11.6032 11.6032 13.9159 13.9159 k = 0.5260 0.1367 0.0376 ( 2260 PWs) bands (ev): -68.3352 -68.3352 -35.2758 -35.2758 -34.9975 -34.9975 -34.9754 -34.9754 -12.5747 -12.5747 -10.8985 -10.8985 -1.4488 -1.4488 0.3591 0.3591 1.6372 1.6372 1.6851 1.6851 5.3841 5.3841 5.4284 5.4284 10.2185 10.2185 11.5621 11.5621 11.6077 11.6077 13.8911 13.8911 k = 0.5208 0.1434 0.0513 ( 2254 PWs) bands (ev): -68.3353 -68.3353 -35.2758 -35.2758 -34.9975 -34.9975 -34.9753 -34.9753 -12.5775 -12.5775 -10.9017 -10.9017 -1.4538 -1.4538 0.3608 0.3608 1.6575 1.6575 1.6893 1.6893 5.4026 5.4026 5.4331 5.4331 10.1883 10.1883 11.5809 11.5809 11.6115 11.6115 13.8704 13.8704 k = 0.5156 0.1502 0.0650 ( 2242 PWs) bands (ev): -68.3353 -68.3353 -35.2757 -35.2757 -34.9974 -34.9974 -34.9752 -34.9752 -12.5796 -12.5796 -10.9041 -10.9041 -1.4577 -1.4577 0.3621 0.3621 1.6732 1.6732 1.6928 1.6928 5.4166 5.4166 5.4374 5.4374 10.1646 10.1646 11.5954 11.5954 11.6148 11.6148 13.8542 13.8542 k = 0.5104 0.1569 0.0786 ( 2242 PWs) bands (ev): -68.3353 -68.3353 -35.2757 -35.2757 -34.9974 -34.9974 -34.9752 -34.9752 -12.5812 -12.5812 -10.9059 -10.9059 -1.4604 -1.4604 0.3630 0.3630 1.6838 1.6838 1.6960 1.6960 5.4257 5.4257 5.4413 5.4413 10.1475 10.1475 11.6052 11.6052 11.6179 11.6179 13.8426 13.8426 k = 0.5052 0.1636 0.0923 ( 2236 PWs) bands (ev): -68.3353 -68.3353 -35.2756 -35.2756 -34.9974 -34.9974 -34.9751 -34.9751 -12.5821 -12.5821 -10.9070 -10.9070 -1.4621 -1.4621 0.3635 0.3635 1.6893 1.6893 1.6989 1.6989 5.4304 5.4304 5.4445 5.4445 10.1372 10.1372 11.6102 11.6102 11.6207 11.6207 13.8355 13.8355 k = 0.5000 0.1704 0.1060 ( 2236 PWs) bands (ev): -68.3353 -68.3353 -35.2756 -35.2756 -34.9974 -34.9974 -34.9751 -34.9751 -12.5824 -12.5824 -10.9073 -10.9073 -1.4627 -1.4627 0.3637 0.3637 1.6908 1.6908 1.7002 1.7002 5.4318 5.4318 5.4458 5.4458 10.1337 10.1337 11.6116 11.6116 11.6220 11.6220 13.8332 13.8332 k = 0.5000 0.1704 0.1060 ( 2236 PWs) bands (ev): -68.3353 -68.3353 -35.2756 -35.2756 -34.9974 -34.9974 -34.9751 -34.9751 -12.5824 -12.5824 -10.9073 -10.9073 -1.4627 -1.4627 0.3637 0.3637 1.6908 1.6908 1.7002 1.7002 5.4318 5.4318 5.4458 5.4458 10.1337 10.1337 11.6116 11.6116 11.6220 11.6220 13.8332 13.8332 k = 0.4853 0.1654 0.1029 ( 2242 PWs) bands (ev): -68.3353 -68.3353 -35.2756 -35.2756 -34.9974 -34.9974 -34.9751 -34.9751 -12.5830 -12.5830 -10.9064 -10.9064 -1.4671 -1.4671 0.3685 0.3685 1.6911 1.6911 1.7005 1.7005 5.4306 5.4306 5.4446 5.4446 10.1329 10.1329 11.6132 11.6132 11.6236 11.6236 13.8307 13.8307 k = 0.4706 0.1604 0.0998 ( 2242 PWs) bands (ev): -68.3353 -68.3353 -35.2756 -35.2756 -34.9974 -34.9974 -34.9751 -34.9751 -12.5847 -12.5847 -10.9034 -10.9034 -1.4804 -1.4804 0.3828 0.3828 1.6923 1.6923 1.7017 1.7017 5.4269 5.4269 5.4410 5.4410 10.1304 10.1304 11.6180 11.6180 11.6284 11.6284 13.8233 13.8233 k = 0.4559 0.1553 0.0966 ( 2242 PWs) bands (ev): -68.3353 -68.3353 -35.2756 -35.2756 -34.9974 -34.9974 -34.9751 -34.9751 -12.5876 -12.5876 -10.8986 -10.8986 -1.5020 -1.5020 0.4061 0.4061 1.6942 1.6942 1.7036 1.7036 5.4210 5.4210 5.4350 5.4350 10.1264 10.1264 11.6260 11.6260 11.6364 11.6364 13.8113 13.8113 k = 0.4412 0.1503 0.0935 ( 2248 PWs) bands (ev): -68.3353 -68.3353 -35.2757 -35.2757 -34.9974 -34.9974 -34.9751 -34.9751 -12.5915 -12.5915 -10.8919 -10.8919 -1.5312 -1.5312 0.4376 0.4376 1.6968 1.6968 1.7062 1.7062 5.4127 5.4127 5.4266 5.4266 10.1206 10.1206 11.6370 11.6370 11.6474 11.6474 13.7952 13.7952 k = 0.4265 0.1453 0.0904 ( 2248 PWs) bands (ev): -68.3353 -68.3353 -35.2757 -35.2757 -34.9974 -34.9974 -34.9751 -34.9751 -12.5965 -12.5965 -10.8835 -10.8835 -1.5671 -1.5671 0.4765 0.4765 1.7002 1.7002 1.7096 1.7096 5.4021 5.4021 5.4161 5.4161 10.1133 10.1133 11.6509 11.6509 11.6615 11.6615 13.7756 13.7756 k = 0.4118 0.1403 0.0873 ( 2257 PWs) bands (ev): -68.3353 -68.3353 -35.2757 -35.2757 -34.9975 -34.9975 -34.9751 -34.9751 -12.6024 -12.6024 -10.8733 -10.8733 -1.6087 -1.6087 0.5217 0.5217 1.7042 1.7042 1.7137 1.7137 5.3895 5.3895 5.4034 5.4034 10.1044 10.1044 11.6678 11.6678 11.6784 11.6784 13.7532 13.7532 k = 0.3971 0.1353 0.0842 ( 2257 PWs) bands (ev): -68.3353 -68.3353 -35.2757 -35.2757 -34.9975 -34.9975 -34.9751 -34.9751 -12.6092 -12.6092 -10.8616 -10.8616 -1.6550 -1.6550 0.5723 0.5723 1.7090 1.7090 1.7184 1.7184 5.3748 5.3748 5.3887 5.3887 10.0940 10.0940 11.6873 11.6873 11.6980 11.6980 13.7287 13.7287 k = 0.3824 0.1303 0.0811 ( 2263 PWs) bands (ev): -68.3353 -68.3353 -35.2757 -35.2757 -34.9975 -34.9975 -34.9751 -34.9751 -12.6168 -12.6168 -10.8484 -10.8484 -1.7051 -1.7051 0.6272 0.6272 1.7144 1.7144 1.7238 1.7238 5.3583 5.3583 5.3721 5.3721 10.0820 10.0820 11.7093 11.7093 11.7202 11.7202 13.7029 13.7029 k = 0.3676 0.1253 0.0779 ( 2251 PWs) bands (ev): -68.3353 -68.3353 -35.2757 -35.2757 -34.9974 -34.9974 -34.9751 -34.9751 -12.6250 -12.6250 -10.8339 -10.8339 -1.7581 -1.7581 0.6857 0.6857 1.7204 1.7204 1.7299 1.7299 5.3401 5.3401 5.3538 5.3538 10.0685 10.0685 11.7337 11.7337 11.7447 11.7447 13.6764 13.6764 k = 0.3529 0.1203 0.0748 ( 2266 PWs) bands (ev): -68.3353 -68.3353 -35.2757 -35.2757 -34.9975 -34.9975 -34.9752 -34.9752 -12.6339 -12.6339 -10.8182 -10.8182 -1.8133 -1.8133 0.7468 0.7468 1.7269 1.7269 1.7364 1.7364 5.3203 5.3203 5.3339 5.3339 10.0535 10.0535 11.7602 11.7602 11.7713 11.7713 13.6496 13.6496 k = 0.3382 0.1153 0.0717 ( 2266 PWs) bands (ev): -68.3353 -68.3353 -35.2757 -35.2757 -34.9975 -34.9975 -34.9752 -34.9752 -12.6433 -12.6433 -10.8015 -10.8015 -1.8699 -1.8699 0.8098 0.8098 1.7340 1.7340 1.7436 1.7436 5.2991 5.2991 5.3126 5.3126 10.0372 10.0372 11.7885 11.7885 11.7998 11.7998 13.6233 13.6233 k = 0.3235 0.1102 0.0686 ( 2260 PWs) bands (ev): -68.3353 -68.3353 -35.2757 -35.2757 -34.9974 -34.9974 -34.9752 -34.9752 -12.6530 -12.6530 -10.7840 -10.7840 -1.9273 -1.9273 0.8742 0.8742 1.7417 1.7417 1.7512 1.7512 5.2767 5.2767 5.2901 5.2901 10.0197 10.0197 11.8186 11.8186 11.8300 11.8300 13.5979 13.5979 k = 0.3088 0.1052 0.0655 ( 2260 PWs) bands (ev): -68.3353 -68.3353 -35.2757 -35.2757 -34.9974 -34.9974 -34.9752 -34.9752 -12.6631 -12.6631 -10.7657 -10.7657 -1.9850 -1.9850 0.9391 0.9391 1.7497 1.7497 1.7592 1.7592 5.2534 5.2534 5.2667 5.2667 10.0009 10.0009 11.8500 11.8500 11.8616 11.8616 13.5737 13.5737 k = 0.2941 0.1002 0.0623 ( 2248 PWs) bands (ev): -68.3353 -68.3353 -35.2756 -35.2756 -34.9974 -34.9974 -34.9751 -34.9751 -12.6733 -12.6733 -10.7470 -10.7470 -2.0426 -2.0426 1.0043 1.0043 1.7581 1.7581 1.7677 1.7677 5.2292 5.2292 5.2425 5.2425 9.9810 9.9810 11.8826 11.8826 11.8944 11.8944 13.5511 13.5511 k = 0.2794 0.0952 0.0592 ( 2257 PWs) bands (ev): -68.3353 -68.3353 -35.2757 -35.2757 -34.9974 -34.9974 -34.9751 -34.9751 -12.6837 -12.6837 -10.7278 -10.7278 -2.0995 -2.0995 1.0691 1.0691 1.7668 1.7668 1.7764 1.7764 5.2045 5.2045 5.2176 5.2176 9.9602 9.9602 11.9160 11.9160 11.9279 11.9279 13.5303 13.5303 k = 0.2647 0.0902 0.0561 ( 2269 PWs) bands (ev): -68.3353 -68.3353 -35.2757 -35.2757 -34.9974 -34.9974 -34.9752 -34.9752 -12.6941 -12.6941 -10.7085 -10.7085 -2.1555 -2.1555 1.1331 1.1331 1.7757 1.7757 1.7853 1.7853 5.1793 5.1793 5.1924 5.1924 9.9386 9.9386 11.9499 11.9499 11.9621 11.9621 13.5114 13.5114 k = 0.2500 0.0852 0.0530 ( 2257 PWs) bands (ev): -68.3353 -68.3353 -35.2757 -35.2757 -34.9974 -34.9974 -34.9752 -34.9752 -12.7043 -12.7043 -10.6890 -10.6890 -2.2101 -2.2101 1.1961 1.1961 1.7848 1.7848 1.7945 1.7945 5.1541 5.1541 5.1670 5.1670 9.9165 9.9165 11.9842 11.9842 11.9966 11.9966 13.4946 13.4946 k = 0.2353 0.0802 0.0499 ( 2257 PWs) bands (ev): -68.3353 -68.3353 -35.2756 -35.2756 -34.9974 -34.9974 -34.9752 -34.9752 -12.7144 -12.7144 -10.6698 -10.6698 -2.2631 -2.2631 1.2575 1.2575 1.7940 1.7940 1.8037 1.8037 5.1289 5.1289 5.1417 5.1417 9.8939 9.8939 12.0185 12.0185 12.0310 12.0310 13.4799 13.4799 k = 0.2206 0.0752 0.0468 ( 2251 PWs) bands (ev): -68.3353 -68.3353 -35.2756 -35.2756 -34.9974 -34.9974 -34.9751 -34.9751 -12.7243 -12.7243 -10.6508 -10.6508 -2.3142 -2.3142 1.3169 1.3169 1.8033 1.8033 1.8130 1.8130 5.1039 5.1039 5.1167 5.1167 9.8711 9.8711 12.0525 12.0525 12.0652 12.0652 13.4674 13.4674 k = 0.2059 0.0702 0.0436 ( 2245 PWs) bands (ev): -68.3353 -68.3353 -35.2756 -35.2756 -34.9973 -34.9973 -34.9751 -34.9751 -12.7338 -12.7338 -10.6322 -10.6322 -2.3631 -2.3631 1.3741 1.3741 1.8125 1.8125 1.8222 1.8222 5.0794 5.0794 5.0921 5.0921 9.8484 9.8484 12.0859 12.0859 12.0988 12.0988 13.4568 13.4568 k = 0.1912 0.0651 0.0405 ( 2245 PWs) bands (ev): -68.3353 -68.3353 -35.2756 -35.2756 -34.9973 -34.9973 -34.9751 -34.9751 -12.7430 -12.7430 -10.6141 -10.6141 -2.4097 -2.4097 1.4288 1.4288 1.8215 1.8215 1.8313 1.8313 5.0555 5.0555 5.0681 5.0681 9.8258 9.8258 12.1184 12.1184 12.1315 12.1315 13.4482 13.4482 k = 0.1765 0.0601 0.0374 ( 2245 PWs) bands (ev): -68.3353 -68.3353 -35.2756 -35.2756 -34.9973 -34.9973 -34.9751 -34.9751 -12.7517 -12.7517 -10.5968 -10.5968 -2.4536 -2.4536 1.4807 1.4807 1.8303 1.8303 1.8401 1.8401 5.0326 5.0326 5.0451 5.0451 9.8037 9.8037 12.1499 12.1499 12.1631 12.1631 13.4414 13.4414 k = 0.1618 0.0551 0.0343 ( 2245 PWs) bands (ev): -68.3353 -68.3353 -35.2756 -35.2756 -34.9973 -34.9973 -34.9751 -34.9751 -12.7600 -12.7600 -10.5804 -10.5804 -2.4947 -2.4947 1.5295 1.5295 1.8388 1.8388 1.8486 1.8486 5.0106 5.0106 5.0230 5.0230 9.7823 9.7823 12.1799 12.1799 12.1933 12.1933 13.4362 13.4362 k = 0.1471 0.0501 0.0312 ( 2245 PWs) bands (ev): -68.3353 -68.3353 -35.2756 -35.2756 -34.9973 -34.9973 -34.9751 -34.9751 -12.7677 -12.7677 -10.5649 -10.5649 -2.5328 -2.5328 1.5750 1.5750 1.8469 1.8469 1.8567 1.8567 4.9899 4.9899 5.0023 5.0023 9.7619 9.7619 12.2083 12.2083 12.2219 12.2219 13.4325 13.4325 k = 0.1324 0.0451 0.0281 ( 2245 PWs) bands (ev): -68.3353 -68.3353 -35.2756 -35.2756 -34.9973 -34.9973 -34.9751 -34.9751 -12.7747 -12.7747 -10.5504 -10.5504 -2.5677 -2.5677 1.6169 1.6169 1.8546 1.8546 1.8644 1.8644 4.9706 4.9706 4.9829 4.9829 9.7425 9.7425 12.2348 12.2348 12.2485 12.2485 13.4300 13.4300 k = 0.1176 0.0401 0.0249 ( 2244 PWs) bands (ev): -68.3353 -68.3353 -35.2756 -35.2756 -34.9973 -34.9973 -34.9751 -34.9751 -12.7812 -12.7812 -10.5372 -10.5372 -2.5994 -2.5994 1.6550 1.6550 1.8617 1.8617 1.8714 1.8714 4.9529 4.9529 4.9651 4.9651 9.7246 9.7246 12.2592 12.2592 12.2731 12.2731 13.4286 13.4286 k = 0.1029 0.0351 0.0218 ( 2244 PWs) bands (ev): -68.3353 -68.3353 -35.2756 -35.2756 -34.9973 -34.9973 -34.9751 -34.9751 -12.7869 -12.7869 -10.5253 -10.5253 -2.6277 -2.6277 1.6891 1.6891 1.8681 1.8681 1.8779 1.8779 4.9369 4.9369 4.9490 4.9490 9.7082 9.7082 12.2813 12.2813 12.2952 12.2952 13.4280 13.4280 k = 0.0882 0.0301 0.0187 ( 2244 PWs) bands (ev): -68.3353 -68.3353 -35.2756 -35.2756 -34.9973 -34.9973 -34.9751 -34.9751 -12.7920 -12.7920 -10.5148 -10.5148 -2.6524 -2.6524 1.7191 1.7191 1.8739 1.8739 1.8837 1.8837 4.9227 4.9227 4.9348 4.9348 9.6936 9.6936 12.3009 12.3009 12.3149 12.3149 13.4280 13.4280 k = 0.0735 0.0251 0.0156 ( 2253 PWs) bands (ev): -68.3353 -68.3353 -35.2756 -35.2756 -34.9973 -34.9973 -34.9751 -34.9751 -12.7963 -12.7963 -10.5058 -10.5058 -2.6736 -2.6736 1.7447 1.7447 1.8788 1.8788 1.8886 1.8886 4.9105 4.9105 4.9225 4.9225 9.6809 9.6809 12.3177 12.3177 12.3318 12.3318 13.4283 13.4283 k = 0.0588 0.0200 0.0125 ( 2259 PWs) bands (ev): -68.3353 -68.3353 -35.2756 -35.2756 -34.9973 -34.9973 -34.9751 -34.9751 -12.7999 -12.7999 -10.4983 -10.4983 -2.6909 -2.6909 1.7658 1.7658 1.8830 1.8830 1.8928 1.8928 4.9003 4.9003 4.9124 4.9124 9.6703 9.6703 12.3317 12.3317 12.3459 12.3459 13.4289 13.4289 k = 0.0441 0.0150 0.0094 ( 2256 PWs) bands (ev): -68.3353 -68.3353 -35.2756 -35.2756 -34.9973 -34.9973 -34.9751 -34.9751 -12.8027 -12.8027 -10.4924 -10.4924 -2.7045 -2.7045 1.7824 1.7824 1.8863 1.8863 1.8961 1.8961 4.8924 4.8924 4.9044 4.9044 9.6620 9.6620 12.3427 12.3427 12.3570 12.3570 13.4296 13.4296 k = 0.0294 0.0100 0.0062 ( 2256 PWs) bands (ev): -68.3353 -68.3353 -35.2756 -35.2756 -34.9973 -34.9973 -34.9751 -34.9751 -12.8047 -12.8047 -10.4882 -10.4882 -2.7143 -2.7143 1.7943 1.7943 1.8887 1.8887 1.8984 1.8984 4.8866 4.8866 4.8986 4.8986 9.6559 9.6559 12.3506 12.3506 12.3650 12.3650 13.4302 13.4302 k = 0.0147 0.0050 0.0031 ( 2259 PWs) bands (ev): -68.3353 -68.3353 -35.2756 -35.2756 -34.9973 -34.9973 -34.9751 -34.9751 -12.8059 -12.8059 -10.4857 -10.4857 -2.7202 -2.7202 1.8014 1.8014 1.8901 1.8901 1.8999 1.8999 4.8832 4.8832 4.8951 4.8951 9.6522 9.6522 12.3554 12.3554 12.3698 12.3698 13.4305 13.4305 k = 0.0000 0.0000 0.0000 ( 2259 PWs) bands (ev): -68.3353 -68.3353 -35.2756 -35.2756 -34.9973 -34.9973 -34.9751 -34.9751 -12.8063 -12.8063 -10.4848 -10.4848 -2.7221 -2.7221 1.8038 1.8038 1.8906 1.8906 1.9004 1.9004 4.8820 4.8820 4.8940 4.8940 9.6510 9.6510 12.3570 12.3570 12.3714 12.3714 13.4306 13.4306 k = 0.0000 0.0000 0.0000 ( 2259 PWs) bands (ev): -68.3353 -68.3353 -35.2756 -35.2756 -34.9973 -34.9973 -34.9751 -34.9751 -12.8063 -12.8063 -10.4848 -10.4848 -2.7221 -2.7221 1.8038 1.8038 1.8906 1.8906 1.9004 1.9004 4.8820 4.8820 4.8940 4.8940 9.6510 9.6510 12.3570 12.3570 12.3714 12.3714 13.4306 13.4306 k = 0.0052-0.0067-0.0136 ( 2259 PWs) bands (ev): -68.3353 -68.3353 -35.2756 -35.2756 -34.9973 -34.9973 -34.9751 -34.9751 -12.8059 -12.8059 -10.4846 -10.4846 -2.7214 -2.7214 1.8036 1.8036 1.8891 1.8891 1.8990 1.8990 4.8807 4.8807 4.8928 4.8928 9.6544 9.6544 12.3552 12.3552 12.3698 12.3698 13.4338 13.4338 k = 0.0104-0.0134-0.0272 ( 2263 PWs) bands (ev): -68.3353 -68.3353 -35.2756 -35.2756 -34.9973 -34.9973 -34.9752 -34.9752 -12.8047 -12.8047 -10.4841 -10.4841 -2.7193 -2.7193 1.8029 1.8029 1.8833 1.8833 1.8959 1.8959 4.8760 4.8760 4.8898 4.8898 9.6646 9.6646 12.3486 12.3486 12.3664 12.3664 13.4431 13.4431 k = 0.0155-0.0201-0.0409 ( 2265 PWs) bands (ev): -68.3353 -68.3353 -35.2757 -35.2757 -34.9973 -34.9973 -34.9753 -34.9753 -12.8027 -12.8027 -10.4833 -10.4833 -2.7158 -2.7158 1.8016 1.8016 1.8721 1.8721 1.8926 1.8926 4.8668 4.8668 4.8864 4.8864 9.6814 9.6814 12.3355 12.3355 12.3628 12.3628 13.4587 13.4587 k = 0.0207-0.0268-0.0545 ( 2261 PWs) bands (ev): -68.3353 -68.3353 -35.2757 -35.2757 -34.9974 -34.9974 -34.9753 -34.9753 -12.7999 -12.7999 -10.4821 -10.4821 -2.7108 -2.7108 1.7998 1.7998 1.8556 1.8556 1.8890 1.8890 4.8529 4.8529 4.8828 4.8828 9.7049 9.7049 12.3158 12.3158 12.3594 12.3594 13.4804 13.4804 k = 0.0259-0.0336-0.0681 ( 2261 PWs) bands (ev): -68.3353 -68.3353 -35.2757 -35.2757 -34.9974 -34.9974 -34.9754 -34.9754 -12.7964 -12.7964 -10.4805 -10.4805 -2.7045 -2.7045 1.7975 1.7975 1.8343 1.8343 1.8847 1.8847 4.8346 4.8346 4.8787 4.8787 9.7347 9.7347 12.2903 12.2903 12.3555 12.3555 13.5081 13.5081 k = 0.0311-0.0403-0.0817 ( 2257 PWs) bands (ev): -68.3352 -68.3352 -35.2758 -35.2758 -34.9974 -34.9974 -34.9755 -34.9755 -12.7920 -12.7920 -10.4787 -10.4787 -2.6968 -2.6968 1.7941 1.7941 1.8088 1.8088 1.8798 1.8798 4.8123 4.8123 4.8741 4.8741 9.7709 9.7709 12.2592 12.2592 12.3511 12.3511 13.5416 13.5416 k = 0.0362-0.0470-0.0954 ( 2257 PWs) bands (ev): -68.3352 -68.3352 -35.2759 -35.2759 -34.9974 -34.9974 -34.9757 -34.9757 -12.7869 -12.7869 -10.4765 -10.4765 -2.6877 -2.6877 1.7771 1.7771 1.7921 1.7921 1.8740 1.8740 4.7863 4.7863 4.8686 4.8686 9.8131 9.8131 12.2231 12.2231 12.3460 12.3460 13.5807 13.5807 k = 0.0414-0.0537-0.1090 ( 2257 PWs) bands (ev): -68.3352 -68.3352 -35.2759 -35.2759 -34.9975 -34.9975 -34.9758 -34.9758 -12.7810 -12.7810 -10.4740 -10.4740 -2.6773 -2.6773 1.7432 1.7432 1.7874 1.7874 1.8676 1.8676 4.7567 4.7567 4.8624 4.8624 9.8611 9.8611 12.1823 12.1823 12.3401 12.3401 13.6253 13.6253 k = 0.0466-0.0604-0.1226 ( 2257 PWs) bands (ev): -68.3352 -68.3352 -35.2760 -35.2760 -34.9975 -34.9975 -34.9760 -34.9760 -12.7744 -12.7744 -10.4712 -10.4712 -2.6655 -2.6655 1.7052 1.7052 1.7823 1.7823 1.8605 1.8605 4.7239 4.7239 4.8554 4.8554 9.9146 9.9146 12.1370 12.1370 12.3335 12.3335 13.6750 13.6750 k = 0.0518-0.0671-0.1362 ( 2255 PWs) bands (ev): -68.3352 -68.3352 -35.2761 -35.2761 -34.9976 -34.9976 -34.9762 -34.9762 -12.7671 -12.7671 -10.4681 -10.4681 -2.6524 -2.6524 1.6637 1.6637 1.7763 1.7763 1.8528 1.8528 4.6881 4.6881 4.8475 4.8475 9.9734 9.9734 12.0878 12.0878 12.3261 12.3261 13.7297 13.7297 k = 0.0569-0.0738-0.1499 ( 2259 PWs) bands (ev): -68.3352 -68.3352 -35.2763 -35.2763 -34.9976 -34.9976 -34.9765 -34.9765 -12.7590 -12.7590 -10.4648 -10.4648 -2.6380 -2.6380 1.6189 1.6189 1.7693 1.7693 1.8446 1.8446 4.6495 4.6495 4.8386 4.8386 10.0371 10.0371 12.0350 12.0350 12.3179 12.3179 13.7891 13.7891 k = 0.0621-0.0805-0.1635 ( 2253 PWs) bands (ev): -68.3351 -68.3351 -35.2764 -35.2764 -34.9977 -34.9977 -34.9767 -34.9767 -12.7503 -12.7503 -10.4611 -10.4611 -2.6222 -2.6222 1.5713 1.5713 1.7612 1.7612 1.8360 1.8360 4.6085 4.6085 4.8289 4.8289 10.1054 10.1054 11.9790 11.9790 12.3089 12.3089 13.8529 13.8529 k = 0.0673-0.0873-0.1771 ( 2255 PWs) bands (ev): -68.3351 -68.3351 -35.2765 -35.2765 -34.9977 -34.9977 -34.9769 -34.9769 -12.7409 -12.7409 -10.4572 -10.4572 -2.6053 -2.6053 1.5210 1.5210 1.7518 1.7518 1.8272 1.8272 4.5653 4.5653 4.8183 4.8183 10.1779 10.1779 11.9202 11.9202 12.2991 12.2991 13.9208 13.9208 k = 0.0725-0.0940-0.1907 ( 2257 PWs) bands (ev): -68.3351 -68.3351 -35.2766 -35.2766 -34.9978 -34.9978 -34.9772 -34.9772 -12.7308 -12.7308 -10.4530 -10.4530 -2.5871 -2.5871 1.4684 1.4684 1.7409 1.7409 1.8182 1.8182 4.5202 4.5202 4.8067 4.8067 10.2543 10.2543 11.8589 11.8589 12.2884 12.2884 13.9925 13.9925 k = 0.0776-0.1007-0.2044 ( 2257 PWs) bands (ev): -68.3350 -68.3350 -35.2768 -35.2768 -34.9979 -34.9979 -34.9775 -34.9775 -12.7202 -12.7202 -10.4486 -10.4486 -2.5676 -2.5676 1.4138 1.4138 1.7284 1.7284 1.8091 1.8091 4.4735 4.4735 4.7941 4.7941 10.3342 10.3342 11.7958 11.7958 12.2769 12.2769 14.0678 14.0678 k = 0.0828-0.1074-0.2180 ( 2257 PWs) bands (ev): -68.3350 -68.3350 -35.2769 -35.2769 -34.9980 -34.9980 -34.9778 -34.9778 -12.7089 -12.7089 -10.4440 -10.4440 -2.5470 -2.5470 1.3575 1.3575 1.7143 1.7143 1.8000 1.8000 4.4256 4.4256 4.7806 4.7806 10.4170 10.4170 11.7312 11.7312 12.2646 12.2646 14.1463 14.1463 k = 0.0880-0.1141-0.2316 ( 2253 PWs) bands (ev): -68.3350 -68.3350 -35.2771 -35.2771 -34.9980 -34.9980 -34.9781 -34.9781 -12.6970 -12.6970 -10.4392 -10.4392 -2.5253 -2.5253 1.2999 1.2999 1.6986 1.6986 1.7908 1.7908 4.3766 4.3766 4.7660 4.7660 10.5022 10.5022 11.6659 11.6659 12.2514 12.2514 14.2277 14.2277 k = 0.0932-0.1208-0.2452 ( 2261 PWs) bands (ev): -68.3349 -68.3349 -35.2773 -35.2773 -34.9982 -34.9982 -34.9784 -34.9784 -12.6847 -12.6847 -10.4342 -10.4342 -2.5024 -2.5024 1.2411 1.2411 1.6812 1.6812 1.7816 1.7816 4.3268 4.3268 4.7504 4.7504 10.5892 10.5892 11.6003 11.6003 12.2373 12.2373 14.3117 14.3117 k = 0.0983-0.1275-0.2589 ( 2263 PWs) bands (ev): -68.3349 -68.3349 -35.2775 -35.2775 -34.9983 -34.9983 -34.9788 -34.9788 -12.6718 -12.6718 -10.4290 -10.4290 -2.4784 -2.4784 1.1815 1.1815 1.6622 1.6622 1.7721 1.7721 4.2766 4.2766 4.7338 4.7338 10.6768 10.6768 11.5358 11.5358 12.2224 12.2224 14.3982 14.3982 k = 0.1035-0.1342-0.2725 ( 2261 PWs) bands (ev): -68.3349 -68.3349 -35.2776 -35.2776 -34.9983 -34.9983 -34.9791 -34.9791 -12.6584 -12.6584 -10.4237 -10.4237 -2.4535 -2.4535 1.1214 1.1214 1.6416 1.6416 1.7624 1.7624 4.2262 4.2262 4.7161 4.7161 10.7634 10.7634 11.4740 11.4740 12.2066 12.2066 14.4867 14.4867 k = 0.1087-0.1410-0.2861 ( 2267 PWs) bands (ev): -68.3348 -68.3348 -35.2778 -35.2778 -34.9985 -34.9985 -34.9795 -34.9795 -12.6446 -12.6446 -10.4182 -10.4182 -2.4275 -2.4275 1.0610 1.0610 1.6195 1.6195 1.7523 1.7523 4.1759 4.1759 4.6973 4.6973 10.8457 10.8457 11.4181 11.4181 12.1899 12.1899 14.5770 14.5770 k = 0.1139-0.1477-0.2997 ( 2271 PWs) bands (ev): -68.3348 -68.3348 -35.2780 -35.2780 -34.9986 -34.9986 -34.9798 -34.9798 -12.6304 -12.6304 -10.4126 -10.4126 -2.4005 -2.4005 1.0006 1.0006 1.5959 1.5959 1.7418 1.7418 4.1260 4.1260 4.6774 4.6774 10.9174 10.9174 11.3746 11.3746 12.1723 12.1723 14.6687 14.6687 k = 0.1190-0.1544-0.3134 ( 2267 PWs) bands (ev): -68.3348 -68.3348 -35.2782 -35.2782 -34.9987 -34.9987 -34.9802 -34.9802 -12.6158 -12.6158 -10.4070 -10.4070 -2.3726 -2.3726 0.9404 0.9404 1.5709 1.5709 1.7309 1.7309 4.0767 4.0767 4.6564 4.6564 10.9660 10.9660 11.3559 11.3559 12.1539 12.1539 14.7617 14.7617 k = 0.1242-0.1611-0.3270 ( 2271 PWs) bands (ev): -68.3347 -68.3347 -35.2784 -35.2784 -34.9988 -34.9988 -34.9805 -34.9805 -12.6009 -12.6009 -10.4013 -10.4013 -2.3439 -2.3439 0.8806 0.8806 1.5444 1.5444 1.7195 1.7195 4.0282 4.0282 4.6343 4.6343 10.9777 10.9777 11.3758 11.3758 12.1346 12.1346 14.8554 14.8554 k = 0.1294-0.1678-0.3406 ( 2269 PWs) bands (ev): -68.3347 -68.3347 -35.2786 -35.2786 -34.9989 -34.9989 -34.9809 -34.9809 -12.5856 -12.5856 -10.3954 -10.3954 -2.3143 -2.3143 0.8215 0.8215 1.5165 1.5165 1.7074 1.7074 3.9809 3.9809 4.6111 4.6111 10.9537 10.9537 11.4332 11.4332 12.1144 12.1144 14.9495 14.9495 k = 0.1346-0.1745-0.3542 ( 2275 PWs) bands (ev): -68.3346 -68.3346 -35.2789 -35.2789 -34.9990 -34.9990 -34.9813 -34.9813 -12.5701 -12.5701 -10.3896 -10.3896 -2.2839 -2.2839 0.7632 0.7632 1.4872 1.4872 1.6947 1.6947 3.9347 3.9347 4.5868 4.5868 10.9081 10.9081 11.5139 11.5139 12.0934 12.0934 15.0435 15.0435 k = 0.1397-0.1812-0.3679 ( 2273 PWs) bands (ev): -68.3346 -68.3346 -35.2791 -35.2791 -34.9991 -34.9991 -34.9816 -34.9816 -12.5544 -12.5544 -10.3838 -10.3838 -2.2528 -2.2528 0.7060 0.7060 1.4567 1.4567 1.6814 1.6814 3.8901 3.8901 4.5613 4.5613 10.8518 10.8518 11.6072 11.6072 12.0716 12.0716 15.1368 15.1368 k = 0.1449-0.1879-0.3815 ( 2275 PWs) bands (ev): -68.3346 -68.3346 -35.2793 -35.2793 -34.9993 -34.9993 -34.9820 -34.9820 -12.5386 -12.5386 -10.3780 -10.3780 -2.2210 -2.2210 0.6501 0.6501 1.4248 1.4248 1.6673 1.6673 3.8472 3.8472 4.5348 4.5348 10.7905 10.7905 11.7072 11.7072 12.0489 12.0489 15.2284 15.2284 k = 0.1501-0.1947-0.3951 ( 2275 PWs) bands (ev): -68.3345 -68.3345 -35.2795 -35.2795 -34.9994 -34.9994 -34.9824 -34.9824 -12.5225 -12.5225 -10.3722 -10.3722 -2.1885 -2.1885 0.5956 0.5956 1.3916 1.3916 1.6525 1.6525 3.8061 3.8061 4.5072 4.5072 10.7269 10.7269 11.8112 11.8112 12.0254 12.0254 15.3168 15.3168 k = 0.1553-0.2014-0.4087 ( 2275 PWs) bands (ev): -68.3345 -68.3345 -35.2797 -35.2797 -34.9995 -34.9995 -34.9828 -34.9828 -12.5064 -12.5064 -10.3665 -10.3665 -2.1555 -2.1555 0.5426 0.5426 1.3573 1.3573 1.6369 1.6369 3.7671 3.7671 4.4784 4.4784 10.6627 10.6627 11.9179 11.9179 12.0011 12.0011 15.3997 15.3997 k = 0.1604-0.2081-0.4224 ( 2271 PWs) bands (ev): -68.3344 -68.3344 -35.2799 -35.2799 -34.9996 -34.9996 -34.9831 -34.9831 -12.4902 -12.4902 -10.3608 -10.3608 -2.1219 -2.1219 0.4914 0.4914 1.3217 1.3217 1.6206 1.6206 3.7303 3.7303 4.4487 4.4487 10.5985 10.5985 11.9759 11.9759 12.0266 12.0266 15.4731 15.4731 k = 0.1656-0.2148-0.4360 ( 2267 PWs) bands (ev): -68.3344 -68.3344 -35.2801 -35.2801 -34.9997 -34.9997 -34.9835 -34.9835 -12.4740 -12.4740 -10.3552 -10.3552 -2.0878 -2.0878 0.4420 0.4420 1.2851 1.2851 1.6034 1.6034 3.6957 3.6957 4.4179 4.4179 10.5349 10.5349 11.9502 11.9502 12.1362 12.1362 15.5306 15.5306 k = 0.1708-0.2215-0.4496 ( 2265 PWs) bands (ev): -68.3343 -68.3343 -35.2803 -35.2803 -34.9998 -34.9998 -34.9838 -34.9838 -12.4579 -12.4579 -10.3498 -10.3498 -2.0532 -2.0532 0.3946 0.3946 1.2473 1.2473 1.5854 1.5854 3.6635 3.6635 4.3861 4.3861 10.4723 10.4723 11.9236 11.9236 12.2469 12.2469 15.5650 15.5650 k = 0.1760-0.2282-0.4632 ( 2265 PWs) bands (ev): -68.3343 -68.3343 -35.2805 -35.2805 -34.9999 -34.9999 -34.9842 -34.9842 -12.4418 -12.4418 -10.3445 -10.3445 -2.0182 -2.0182 0.3493 0.3493 1.2085 1.2085 1.5665 1.5665 3.6339 3.6339 4.3533 4.3533 10.4110 10.4110 11.8964 11.8964 12.3581 12.3581 15.5744 15.5744 k = 0.1811-0.2349-0.4769 ( 2263 PWs) bands (ev): -68.3343 -68.3343 -35.2807 -35.2807 -35.0000 -35.0000 -34.9845 -34.9845 -12.4258 -12.4258 -10.3393 -10.3393 -1.9829 -1.9829 0.3063 0.3063 1.1687 1.1687 1.5469 1.5469 3.6068 3.6068 4.3195 4.3195 10.3513 10.3513 11.8685 11.8685 12.4697 12.4697 15.5644 15.5644 k = 0.1863-0.2416-0.4905 ( 2261 PWs) bands (ev): -68.3342 -68.3342 -35.2809 -35.2809 -35.0001 -35.0001 -34.9849 -34.9849 -12.4100 -12.4100 -10.3343 -10.3343 -1.9472 -1.9472 0.2654 0.2654 1.1280 1.1280 1.5264 1.5264 3.5824 3.5824 4.2849 4.2849 10.2933 10.2933 11.8399 11.8399 12.5815 12.5815 15.5433 15.5433 k = 0.1915-0.2484-0.5041 ( 2261 PWs) bands (ev): -68.3342 -68.3342 -35.2811 -35.2811 -35.0002 -35.0002 -34.9852 -34.9852 -12.3944 -12.3944 -10.3295 -10.3295 -1.9112 -1.9112 0.2270 0.2270 1.0865 1.0865 1.5052 1.5052 3.5607 3.5607 4.2494 4.2494 10.2371 10.2371 11.8108 11.8108 12.6933 12.6933 15.5172 15.5172 k = 0.1967-0.2551-0.5177 ( 2255 PWs) bands (ev): -68.3341 -68.3341 -35.2813 -35.2813 -35.0003 -35.0003 -34.9855 -34.9855 -12.3790 -12.3790 -10.3249 -10.3249 -1.8750 -1.8750 0.1910 0.1910 1.0442 1.0442 1.4832 1.4832 3.5418 3.5418 4.2132 4.2132 10.1830 10.1830 11.7811 11.7811 12.8051 12.8051 15.4900 15.4900 k = 0.2018-0.2618-0.5314 ( 2257 PWs) bands (ev): -68.3341 -68.3341 -35.2815 -35.2815 -35.0004 -35.0004 -34.9859 -34.9859 -12.3638 -12.3638 -10.3205 -10.3205 -1.8385 -1.8385 0.1574 0.1574 1.0011 1.0011 1.4604 1.4604 3.5256 3.5256 4.1761 4.1761 10.1310 10.1310 11.7508 11.7508 12.9166 12.9166 15.4635 15.4635 k = 0.2070-0.2685-0.5450 ( 2259 PWs) bands (ev): -68.3341 -68.3341 -35.2816 -35.2816 -35.0005 -35.0005 -34.9862 -34.9862 -12.3490 -12.3490 -10.3163 -10.3163 -1.8018 -1.8018 0.1263 0.1263 0.9575 0.9575 1.4370 1.4370 3.5122 3.5122 4.1384 4.1384 10.0813 10.0813 11.7201 11.7201 13.0278 13.0278 15.4389 15.4389 k = 0.2122-0.2752-0.5586 ( 2255 PWs) bands (ev): -68.3340 -68.3340 -35.2818 -35.2818 -35.0006 -35.0006 -34.9865 -34.9865 -12.3345 -12.3345 -10.3124 -10.3124 -1.7649 -1.7649 0.0977 0.0977 0.9132 0.9132 1.4129 1.4129 3.5016 3.5016 4.1001 4.1001 10.0339 10.0339 11.6889 11.6889 13.1385 13.1385 15.4169 15.4169 k = 0.2174-0.2819-0.5722 ( 2253 PWs) bands (ev): -68.3340 -68.3340 -35.2820 -35.2820 -35.0006 -35.0006 -34.9869 -34.9869 -12.3205 -12.3205 -10.3088 -10.3088 -1.7279 -1.7279 0.0717 0.0717 0.8685 0.8685 1.3882 1.3882 3.4937 3.4937 4.0612 4.0612 9.9891 9.9891 11.6573 11.6573 13.2485 13.2485 15.3978 15.3978 k = 0.2225-0.2886-0.5859 ( 2254 PWs) bands (ev): -68.3340 -68.3340 -35.2821 -35.2821 -35.0007 -35.0007 -34.9872 -34.9872 -12.3068 -12.3068 -10.3054 -10.3054 -1.6906 -1.6906 0.0482 0.0482 0.8233 0.8233 1.3630 1.3630 3.4886 3.4886 4.0218 4.0218 9.9468 9.9468 11.6253 11.6253 13.3578 13.3578 15.3818 15.3818 k = 0.2277-0.2953-0.5995 ( 2252 PWs) bands (ev): -68.3339 -68.3339 -35.2823 -35.2823 -35.0008 -35.0008 -34.9875 -34.9875 -12.2935 -12.2935 -10.3023 -10.3023 -1.6532 -1.6532 0.0271 0.0271 0.7778 0.7778 1.3372 1.3372 3.4863 3.4863 3.9820 3.9820 9.9071 9.9071 11.5931 11.5931 13.4663 13.4663 15.3692 15.3692 k = 0.2329-0.3021-0.6131 ( 2252 PWs) bands (ev): -68.3339 -68.3339 -35.2824 -35.2824 -35.0008 -35.0008 -34.9878 -34.9878 -12.2808 -12.2808 -10.2995 -10.2995 -1.6155 -1.6155 0.0086 0.0086 0.7321 0.7321 1.3110 1.3110 3.4866 3.4866 3.9418 3.9418 9.8702 9.8702 11.5605 11.5605 13.5737 13.5737 15.3598 15.3598 k = 0.2381-0.3088-0.6267 ( 2254 PWs) bands (ev): -68.3339 -68.3339 -35.2826 -35.2826 -35.0009 -35.0009 -34.9880 -34.9880 -12.2685 -12.2685 -10.2970 -10.2970 -1.5777 -1.5777 -0.0076 -0.0076 0.6861 0.6861 1.2844 1.2844 3.4896 3.4896 3.9013 3.9013 9.8360 9.8360 11.5277 11.5277 13.6799 13.6799 15.3538 15.3538 k = 0.2432-0.3155-0.6404 ( 2260 PWs) bands (ev): -68.3338 -68.3338 -35.2827 -35.2827 -35.0009 -35.0009 -34.9883 -34.9883 -12.2568 -12.2568 -10.2949 -10.2949 -1.5397 -1.5397 -0.0213 -0.0213 0.6399 0.6399 1.2575 1.2575 3.4953 3.4953 3.8607 3.8607 9.8047 9.8047 11.4947 11.4947 13.7849 13.7849 15.3511 15.3511 k = 0.2484-0.3222-0.6540 ( 2260 PWs) bands (ev): -68.3338 -68.3338 -35.2829 -35.2829 -35.0009 -35.0009 -34.9886 -34.9886 -12.2456 -12.2456 -10.2930 -10.2930 -1.5015 -1.5015 -0.0328 -0.0328 0.5938 0.5938 1.2303 1.2303 3.5034 3.5034 3.8199 3.8199 9.7763 9.7763 11.4616 11.4616 13.8883 13.8883 15.3517 15.3517 k = 0.2536-0.3289-0.6676 ( 2260 PWs) bands (ev): -68.3338 -68.3338 -35.2830 -35.2830 -35.0009 -35.0009 -34.9889 -34.9889 -12.2349 -12.2349 -10.2914 -10.2914 -1.4630 -1.4630 -0.0421 -0.0421 0.5476 0.5476 1.2030 1.2030 3.5142 3.5142 3.7791 3.7791 9.7509 9.7509 11.4284 11.4284 13.9901 13.9901 15.3554 15.3554 k = 0.2588-0.3356-0.6812 ( 2258 PWs) bands (ev): -68.3338 -68.3338 -35.2831 -35.2831 -35.0009 -35.0009 -34.9891 -34.9891 -12.2248 -12.2248 -10.2902 -10.2902 -1.4243 -1.4243 -0.0491 -0.0491 0.5015 0.5015 1.1755 1.1755 3.5273 3.5273 3.7382 3.7382 9.7285 9.7285 11.3951 11.3951 14.0901 14.0901 15.3624 15.3624 k = 0.2639-0.3423-0.6949 ( 2250 PWs) bands (ev): -68.3337 -68.3337 -35.2832 -35.2832 -35.0009 -35.0009 -34.9893 -34.9893 -12.2154 -12.2154 -10.2893 -10.2893 -1.3853 -1.3853 -0.0541 -0.0541 0.4555 0.4555 1.1479 1.1479 3.5429 3.5429 3.6976 3.6976 9.7092 9.7092 11.3619 11.3619 14.1880 14.1880 15.3723 15.3723 k = 0.2691-0.3490-0.7085 ( 2250 PWs) bands (ev): -68.3337 -68.3337 -35.2833 -35.2833 -35.0009 -35.0009 -34.9896 -34.9896 -12.2065 -12.2065 -10.2887 -10.2887 -1.3461 -1.3461 -0.0572 -0.0572 0.4097 0.4097 1.1203 1.1203 3.5608 3.5608 3.6571 3.6571 9.6930 9.6930 11.3286 11.3286 14.2835 14.2835 15.3852 15.3852 k = 0.2743-0.3558-0.7221 ( 2248 PWs) bands (ev): -68.3337 -68.3337 -35.2833 -35.2833 -35.0009 -35.0009 -34.9898 -34.9898 -12.1982 -12.1982 -10.2884 -10.2884 -1.3066 -1.3066 -0.0582 -0.0582 0.3641 0.3641 1.0927 1.0927 3.5806 3.5806 3.6170 3.6170 9.6799 9.6799 11.2955 11.2955 14.3766 14.3766 15.4010 15.4010 k = 0.2795-0.3625-0.7357 ( 2246 PWs) bands (ev): -68.3337 -68.3337 -35.2834 -35.2834 -35.0009 -35.0009 -34.9900 -34.9900 -12.1905 -12.1905 -10.2884 -10.2884 -1.2668 -1.2668 -0.0574 -0.0574 0.3188 0.3188 1.0652 1.0652 3.5759 3.5759 3.6042 3.6042 9.6700 9.6700 11.2625 11.2625 14.4669 14.4669 15.4195 15.4195 k = 0.2846-0.3692-0.7494 ( 2248 PWs) bands (ev): -68.3337 -68.3337 -35.2835 -35.2835 -35.0008 -35.0008 -34.9902 -34.9902 -12.1835 -12.1835 -10.2887 -10.2887 -1.2268 -1.2268 -0.0549 -0.0549 0.2739 0.2739 1.0379 1.0379 3.5366 3.5366 3.6283 3.6283 9.6632 9.6632 11.2296 11.2296 14.5540 14.5540 15.4406 15.4406 k = 0.2898-0.3759-0.7630 ( 2246 PWs) bands (ev): -68.3337 -68.3337 -35.2835 -35.2835 -35.0008 -35.0008 -34.9903 -34.9903 -12.1770 -12.1770 -10.2894 -10.2894 -1.1866 -1.1866 -0.0506 -0.0506 0.2293 0.2293 1.0107 1.0107 3.4975 3.4975 3.6549 3.6549 9.6596 9.6596 11.1970 11.1970 14.6378 14.6378 15.4642 15.4642 k = 0.2950-0.3826-0.7766 ( 2248 PWs) bands (ev): -68.3337 -68.3337 -35.2836 -35.2836 -35.0008 -35.0008 -34.9905 -34.9905 -12.1712 -12.1712 -10.2903 -10.2903 -1.1463 -1.1463 -0.0446 -0.0446 0.1852 0.1852 0.9838 0.9838 3.4588 3.4588 3.6835 3.6835 9.6593 9.6593 11.1646 11.1646 14.7178 14.7178 15.4902 15.4902 k = 0.3002-0.3893-0.7902 ( 2250 PWs) bands (ev): -68.3336 -68.3336 -35.2836 -35.2836 -35.0008 -35.0008 -34.9906 -34.9906 -12.1660 -12.1660 -10.2915 -10.2915 -1.1059 -1.1059 -0.0369 -0.0369 0.1416 0.1416 0.9572 0.9572 3.4206 3.4206 3.7140 3.7140 9.6621 9.6621 11.1325 11.1325 14.7935 14.7935 15.5184 15.5184 k = 0.3054-0.3960-0.8039 ( 2248 PWs) bands (ev): -68.3336 -68.3336 -35.2837 -35.2837 -35.0007 -35.0007 -34.9907 -34.9907 -12.1613 -12.1613 -10.2929 -10.2929 -1.0656 -1.0656 -0.0276 -0.0276 0.0986 0.0986 0.9309 0.9309 3.3830 3.3830 3.7464 3.7464 9.6681 9.6681 11.1007 11.1007 14.8645 14.8645 15.5488 15.5488 k = 0.3105-0.4027-0.8175 ( 2252 PWs) bands (ev): -68.3336 -68.3336 -35.2837 -35.2837 -35.0007 -35.0007 -34.9909 -34.9909 -12.1572 -12.1572 -10.2947 -10.2947 -1.0254 -1.0254 -0.0165 -0.0165 0.0562 0.0562 0.9049 0.9049 3.3461 3.3461 3.7806 3.7806 9.6772 9.6772 11.0693 11.0693 14.9301 14.9301 15.5811 15.5811 k = 0.3157-0.4095-0.8311 ( 2254 PWs) bands (ev): -68.3336 -68.3336 -35.2837 -35.2837 -35.0007 -35.0007 -34.9910 -34.9910 -12.1537 -12.1537 -10.2967 -10.2967 -0.9856 -0.9856 -0.0040 -0.0040 0.0147 0.0147 0.8794 0.8794 3.3098 3.3098 3.8164 3.8164 9.6894 9.6894 11.0383 11.0383 14.9894 14.9894 15.6152 15.6152 k = 0.3209-0.4162-0.8447 ( 2248 PWs) bands (ev): -68.3336 -68.3336 -35.2837 -35.2837 -35.0007 -35.0007 -34.9910 -34.9910 -12.1508 -12.1508 -10.2989 -10.2989 -0.9462 -0.9462 -0.0272 -0.0272 0.0114 0.0114 0.8543 0.8543 3.2744 3.2744 3.8539 3.8539 9.7047 9.7047 11.0078 11.0078 15.0412 15.0412 15.6511 15.6511 k = 0.3261-0.4229-0.8584 ( 2248 PWs) bands (ev): -68.3336 -68.3336 -35.2838 -35.2838 -35.0006 -35.0006 -34.9910 -34.9910 -12.1483 -12.1483 -10.3013 -10.3013 -0.9075 -0.9075 -0.0675 -0.0675 0.0279 0.0279 0.8297 0.8297 3.2396 3.2396 3.8928 3.8928 9.7230 9.7230 10.9777 10.9777 15.0837 15.0837 15.6884 15.6884 k = 0.3312-0.4296-0.8720 ( 2248 PWs) bands (ev): -68.3336 -68.3336 -35.2838 -35.2838 -35.0006 -35.0006 -34.9911 -34.9911 -12.1464 -12.1464 -10.3039 -10.3039 -0.8698 -0.8698 -0.1072 -0.1072 0.0465 0.0465 0.8055 0.8055 3.2057 3.2057 3.9331 3.9331 9.7443 9.7443 10.9481 10.9481 15.1141 15.1141 15.6962 15.6962 k = 0.3364-0.4363-0.8856 ( 2246 PWs) bands (ev): -68.3336 -68.3336 -35.2838 -35.2838 -35.0006 -35.0006 -34.9910 -34.9910 -12.1450 -12.1450 -10.3068 -10.3068 -0.8331 -0.8331 -0.1461 -0.1461 0.0673 0.0673 0.7819 0.7819 3.1726 3.1726 3.9747 3.9747 9.7684 9.7684 10.9192 10.9192 15.1287 15.1287 15.6604 15.6604 k = 0.3416-0.4430-0.8992 ( 2248 PWs) bands (ev): -68.3336 -68.3336 -35.2838 -35.2838 -35.0007 -35.0007 -34.9910 -34.9910 -12.1440 -12.1440 -10.3097 -10.3097 -0.7979 -0.7979 -0.1842 -0.1842 0.0905 0.0905 0.7589 0.7589 3.1404 3.1404 4.0175 4.0175 9.7953 9.7953 10.8907 10.8907 15.1232 15.1232 15.6327 15.6327 k = 0.3468-0.4497-0.9129 ( 2242 PWs) bands (ev): -68.3336 -68.3336 -35.2837 -35.2837 -35.0007 -35.0007 -34.9910 -34.9910 -12.1434 -12.1434 -10.3129 -10.3129 -0.7643 -0.7643 -0.2215 -0.2215 0.1160 0.1160 0.7364 0.7364 3.1090 3.1090 4.0613 4.0613 9.8248 9.8248 10.8630 10.8630 15.0947 15.0947 15.6164 15.6164 k = 0.6532-0.2794-0.8069 ( 2242 PWs) bands (ev): -68.3336 -68.3336 -35.2837 -35.2837 -35.0007 -35.0007 -34.9910 -34.9910 -12.1434 -12.1434 -10.3129 -10.3129 -0.7643 -0.7643 -0.2215 -0.2215 0.1160 0.1160 0.7364 0.7364 3.1090 3.1090 4.0613 4.0613 9.8248 9.8248 10.8630 10.8630 15.0947 15.0947 15.6164 15.6164 k = 0.6481-0.2644-0.8069 ( 2240 PWs) bands (ev): -68.3336 -68.3336 -35.2837 -35.2837 -35.0007 -35.0007 -34.9909 -34.9909 -12.1433 -12.1433 -10.3161 -10.3161 -0.7330 -0.7330 -0.2573 -0.2573 0.1436 0.1436 0.7148 0.7148 3.0790 3.0790 4.1055 4.1055 9.8565 9.8565 10.8361 10.8361 15.0441 15.0441 15.6116 15.6116 k = 0.6430-0.2494-0.8069 ( 2244 PWs) bands (ev): -68.3336 -68.3336 -35.2837 -35.2837 -35.0007 -35.0007 -34.9908 -34.9908 -12.1435 -12.1435 -10.3195 -10.3195 -0.7036 -0.7036 -0.2923 -0.2923 0.1738 0.1738 0.6938 0.6938 3.0498 3.0498 4.1504 4.1504 9.8904 9.8904 10.8099 10.8099 14.9744 14.9744 15.6158 15.6158 k = 0.6379-0.2344-0.8069 ( 2240 PWs) bands (ev): -68.3336 -68.3336 -35.2837 -35.2837 -35.0008 -35.0008 -34.9907 -34.9907 -12.1440 -12.1440 -10.3229 -10.3229 -0.6764 -0.6764 -0.3264 -0.3264 0.2065 0.2065 0.6734 0.6734 3.0215 3.0215 4.1960 4.1960 9.9267 9.9267 10.7844 10.7844 14.8897 14.8897 15.6255 15.6255 k = 0.6328-0.2194-0.8069 ( 2244 PWs) bands (ev): -68.3336 -68.3336 -35.2837 -35.2837 -35.0008 -35.0008 -34.9906 -34.9906 -12.1449 -12.1449 -10.3264 -10.3264 -0.6514 -0.6514 -0.3594 -0.3594 0.2417 0.2417 0.6536 0.6536 2.9941 2.9941 4.2420 4.2420 9.9649 9.9649 10.7596 10.7596 14.7937 14.7937 15.6382 15.6382 k = 0.6277-0.2044-0.8069 ( 2240 PWs) bands (ev): -68.3336 -68.3336 -35.2836 -35.2836 -35.0009 -35.0009 -34.9904 -34.9904 -12.1460 -12.1460 -10.3300 -10.3300 -0.6287 -0.6287 -0.3915 -0.3915 0.2792 0.2792 0.6345 0.6345 2.9677 2.9677 4.2885 4.2885 10.0051 10.0051 10.7355 10.7355 14.6893 14.6893 15.6519 15.6519 k = 0.6226-0.1894-0.8069 ( 2244 PWs) bands (ev): -68.3337 -68.3337 -35.2836 -35.2836 -35.0010 -35.0010 -34.9903 -34.9903 -12.1474 -12.1474 -10.3336 -10.3336 -0.6082 -0.6082 -0.4226 -0.4226 0.3191 0.3191 0.6161 0.6161 2.9421 2.9421 4.3351 4.3351 10.0470 10.0470 10.7121 10.7121 14.5788 14.5788 15.6654 15.6654 k = 0.6175-0.1744-0.8069 ( 2246 PWs) bands (ev): -68.3337 -68.3337 -35.2836 -35.2836 -35.0010 -35.0010 -34.9902 -34.9902 -12.1490 -12.1490 -10.3373 -10.3373 -0.5900 -0.5900 -0.4526 -0.4526 0.3609 0.3609 0.5983 0.5983 2.9174 2.9174 4.3818 4.3818 10.0904 10.0904 10.6896 10.6896 14.4640 14.4640 15.6782 15.6782 k = 0.6124-0.1594-0.8069 ( 2242 PWs) bands (ev): -68.3337 -68.3337 -35.2835 -35.2835 -35.0011 -35.0011 -34.9900 -34.9900 -12.1508 -12.1508 -10.3409 -10.3409 -0.5739 -0.5739 -0.4815 -0.4815 0.4046 0.4046 0.5813 0.5813 2.8937 2.8937 4.4284 4.4284 10.1351 10.1351 10.6678 10.6678 14.3464 14.3464 15.6897 15.6897 k = 0.6073-0.1444-0.8069 ( 2242 PWs) bands (ev): -68.3337 -68.3337 -35.2835 -35.2835 -35.0012 -35.0012 -34.9898 -34.9898 -12.1528 -12.1528 -10.3445 -10.3445 -0.5598 -0.5598 -0.5094 -0.5094 0.4498 0.4498 0.5649 0.5649 2.8709 2.8709 4.4748 4.4748 10.1809 10.1809 10.6468 10.6468 14.2273 14.2273 15.6998 15.6998 k = 0.6022-0.1295-0.8069 ( 2244 PWs) bands (ev): -68.3337 -68.3337 -35.2835 -35.2835 -35.0013 -35.0013 -34.9896 -34.9896 -12.1549 -12.1549 -10.3481 -10.3481 -0.5476 -0.5476 -0.5361 -0.5361 0.4961 0.4961 0.5493 0.5493 2.8490 2.8490 4.5207 4.5207 10.2275 10.2275 10.6267 10.6267 14.1077 14.1077 15.7084 15.7084 k = 0.5971-0.1145-0.8069 ( 2246 PWs) bands (ev): -68.3337 -68.3337 -35.2834 -35.2834 -35.0014 -35.0014 -34.9894 -34.9894 -12.1571 -12.1571 -10.3517 -10.3517 -0.5617 -0.5617 -0.5370 -0.5370 0.5331 0.5331 0.5446 0.5446 2.8280 2.8280 4.5660 4.5660 10.2747 10.2747 10.6074 10.6074 13.9885 13.9885 15.7155 15.7155 k = 0.5919-0.0995-0.8069 ( 2250 PWs) bands (ev): -68.3337 -68.3337 -35.2834 -35.2834 -35.0014 -35.0014 -34.9893 -34.9893 -12.1594 -12.1594 -10.3552 -10.3552 -0.5860 -0.5860 -0.5281 -0.5281 0.5197 0.5197 0.5915 0.5915 2.8079 2.8079 4.6105 4.6105 10.3223 10.3223 10.5890 10.5890 13.8708 13.8708 15.7212 15.7212 k = 0.5868-0.0845-0.8069 ( 2254 PWs) bands (ev): -68.3337 -68.3337 -35.2834 -35.2834 -35.0015 -35.0015 -34.9891 -34.9891 -12.1617 -12.1617 -10.3586 -10.3586 -0.6092 -0.6092 -0.5205 -0.5205 0.5063 0.5063 0.6395 0.6395 2.7888 2.7888 4.6540 4.6540 10.3698 10.3698 10.5714 10.5714 13.7551 13.7551 15.7256 15.7256 k = 0.5817-0.0695-0.8069 ( 2254 PWs) bands (ev): -68.3337 -68.3337 -35.2833 -35.2833 -35.0016 -35.0016 -34.9889 -34.9889 -12.1641 -12.1641 -10.3618 -10.3618 -0.6312 -0.6312 -0.5141 -0.5141 0.4935 0.4935 0.6872 0.6872 2.7705 2.7705 4.6963 4.6963 10.4172 10.4172 10.5548 10.5548 13.6423 13.6423 15.7287 15.7287 k = 0.5766-0.0545-0.8069 ( 2248 PWs) bands (ev): -68.3337 -68.3337 -35.2833 -35.2833 -35.0017 -35.0017 -34.9887 -34.9887 -12.1664 -12.1664 -10.3650 -10.3650 -0.6519 -0.6519 -0.5089 -0.5089 0.4815 0.4815 0.7345 0.7345 2.7532 2.7532 4.7374 4.7374 10.4640 10.4640 10.5391 10.5391 13.5330 13.5330 15.7307 15.7307 k = 0.5715-0.0395-0.8069 ( 2246 PWs) bands (ev): -68.3337 -68.3337 -35.2833 -35.2833 -35.0018 -35.0018 -34.9885 -34.9885 -12.1687 -12.1687 -10.3680 -10.3680 -0.6714 -0.6714 -0.5046 -0.5046 0.4702 0.4702 0.7808 0.7808 2.7368 2.7368 4.7768 4.7768 10.5092 10.5092 10.5251 10.5251 13.4278 13.4278 15.7317 15.7317 k = 0.5664-0.0245-0.8069 ( 2248 PWs) bands (ev): -68.3337 -68.3337 -35.2832 -35.2832 -35.0019 -35.0019 -34.9883 -34.9883 -12.1710 -12.1710 -10.3710 -10.3710 -0.6896 -0.6896 -0.5011 -0.5011 0.4597 0.4597 0.8259 0.8259 2.7213 2.7213 4.8146 4.8146 10.5100 10.5100 10.5553 10.5553 13.3273 13.3273 15.7319 15.7319 k = 0.5613-0.0095-0.8069 ( 2252 PWs) bands (ev): -68.3338 -68.3338 -35.2832 -35.2832 -35.0020 -35.0020 -34.9882 -34.9882 -12.1732 -12.1732 -10.3737 -10.3737 -0.7066 -0.7066 -0.4983 -0.4983 0.4499 0.4499 0.8694 0.8694 2.7068 2.7068 4.8504 4.8504 10.4973 10.4973 10.5985 10.5985 13.2320 13.2320 15.7313 15.7313 k = 0.5562 0.0055-0.8069 ( 2250 PWs) bands (ev): -68.3338 -68.3338 -35.2832 -35.2832 -35.0020 -35.0020 -34.9880 -34.9880 -12.1753 -12.1753 -10.3763 -10.3763 -0.7222 -0.7222 -0.4961 -0.4961 0.4409 0.4409 0.9109 0.9109 2.6932 2.6932 4.8841 4.8841 10.4855 10.4855 10.6399 10.6399 13.1423 13.1423 15.7300 15.7300 k = 0.5511 0.0205-0.8069 ( 2252 PWs) bands (ev): -68.3338 -68.3338 -35.2831 -35.2831 -35.0021 -35.0021 -34.9879 -34.9879 -12.1773 -12.1773 -10.3786 -10.3786 -0.7365 -0.7365 -0.4944 -0.4944 0.4327 0.4327 0.9502 0.9502 2.6807 2.6807 4.9156 4.9156 10.4746 10.4746 10.6792 10.6792 13.0588 13.0588 15.7283 15.7283 k = 0.5460 0.0355-0.8069 ( 2254 PWs) bands (ev): -68.3338 -68.3338 -35.2831 -35.2831 -35.0021 -35.0021 -34.9877 -34.9877 -12.1791 -12.1791 -10.3808 -10.3808 -0.7495 -0.7495 -0.4931 -0.4931 0.4253 0.4253 0.9868 0.9868 2.6691 2.6691 4.9446 4.9446 10.4647 10.4647 10.7161 10.7161 12.9818 12.9818 15.7263 15.7263 k = 0.5409 0.0504-0.8069 ( 2254 PWs) bands (ev): -68.3338 -68.3338 -35.2831 -35.2831 -35.0022 -35.0022 -34.9876 -34.9876 -12.1808 -12.1808 -10.3828 -10.3828 -0.7611 -0.7611 -0.4922 -0.4922 0.4186 0.4186 1.0205 1.0205 2.6587 2.6587 4.9711 4.9711 10.4558 10.4558 10.7501 10.7501 12.9118 12.9118 15.7241 15.7241 k = 0.5358 0.0654-0.8069 ( 2252 PWs) bands (ev): -68.3338 -68.3338 -35.2831 -35.2831 -35.0022 -35.0022 -34.9875 -34.9875 -12.1823 -12.1823 -10.3846 -10.3846 -0.7714 -0.7714 -0.4915 -0.4915 0.4127 0.4127 1.0511 1.0511 2.6493 2.6493 4.9948 4.9948 10.4479 10.4479 10.7811 10.7811 12.8491 12.8491 15.7217 15.7217 k = 0.5306 0.0804-0.8069 ( 2254 PWs) bands (ev): -68.3338 -68.3338 -35.2831 -35.2831 -35.0023 -35.0023 -34.9874 -34.9874 -12.1837 -12.1837 -10.3861 -10.3861 -0.7804 -0.7804 -0.4910 -0.4910 0.4076 0.4076 1.0782 1.0782 2.6410 2.6410 5.0157 5.0157 10.4411 10.4411 10.8086 10.8086 12.7941 12.7941 15.7195 15.7195 k = 0.5255 0.0954-0.8069 ( 2250 PWs) bands (ev): -68.3338 -68.3338 -35.2830 -35.2830 -35.0023 -35.0023 -34.9873 -34.9873 -12.1848 -12.1848 -10.3875 -10.3875 -0.7880 -0.7880 -0.4907 -0.4907 0.4032 0.4032 1.1016 1.1016 2.6340 2.6340 5.0335 5.0335 10.4353 10.4353 10.8324 10.8324 12.7470 12.7470 15.7173 15.7173 k = 0.5204 0.1104-0.8069 ( 2242 PWs) bands (ev): -68.3338 -68.3338 -35.2830 -35.2830 -35.0023 -35.0023 -34.9872 -34.9872 -12.1858 -12.1858 -10.3886 -10.3886 -0.7942 -0.7942 -0.4905 -0.4905 0.3997 0.3997 1.1211 1.1211 2.6282 2.6282 5.0483 5.0483 10.4305 10.4305 10.8523 10.8523 12.7081 12.7081 15.7154 15.7154 k = 0.5153 0.1254-0.8069 ( 2248 PWs) bands (ev): -68.3338 -68.3338 -35.2830 -35.2830 -35.0024 -35.0024 -34.9871 -34.9871 -12.1866 -12.1866 -10.3894 -10.3894 -0.7990 -0.7990 -0.4903 -0.4903 0.3969 0.3969 1.1364 1.1364 2.6236 2.6236 5.0599 5.0599 10.4268 10.4268 10.8680 10.8680 12.6775 12.6775 15.7138 15.7138 k = 0.5102 0.1404-0.8069 ( 2248 PWs) bands (ev): -68.3338 -68.3338 -35.2830 -35.2830 -35.0024 -35.0024 -34.9871 -34.9871 -12.1871 -12.1871 -10.3900 -10.3900 -0.8025 -0.8025 -0.4903 -0.4903 0.3949 0.3949 1.1474 1.1474 2.6203 2.6203 5.0682 5.0682 10.4241 10.4241 10.8793 10.8793 12.6556 12.6556 15.7126 15.7126 k = 0.5051 0.1554-0.8069 ( 2250 PWs) bands (ev): -68.3338 -68.3338 -35.2830 -35.2830 -35.0024 -35.0024 -34.9871 -34.9871 -12.1874 -12.1874 -10.3904 -10.3904 -0.8045 -0.8045 -0.4902 -0.4902 0.3937 0.3937 1.1541 1.1541 2.6183 2.6183 5.0732 5.0732 10.4226 10.4226 10.8861 10.8861 12.6424 12.6424 15.7119 15.7119 k = 0.5000 0.1704-0.8069 ( 2248 PWs) bands (ev): -68.3338 -68.3338 -35.2830 -35.2830 -35.0024 -35.0024 -34.9871 -34.9871 -12.1876 -12.1876 -10.3905 -10.3905 -0.8052 -0.8052 -0.4902 -0.4902 0.3934 0.3934 1.1563 1.1563 2.6176 2.6176 5.0749 5.0749 10.4220 10.4220 10.8884 10.8884 12.6380 12.6380 15.7117 15.7117 k = 0.5000 0.1704-0.8069 ( 2248 PWs) bands (ev): -68.3338 -68.3338 -35.2830 -35.2830 -35.0024 -35.0024 -34.9871 -34.9871 -12.1876 -12.1876 -10.3905 -10.3905 -0.8052 -0.8052 -0.4902 -0.4902 0.3934 0.3934 1.1563 1.1563 2.6176 2.6176 5.0749 5.0749 10.4220 10.4220 10.8884 10.8884 12.6380 12.6380 15.7117 15.7117 k = 0.5128 0.1747-0.7980 ( 2255 PWs) bands (ev): -68.3338 -68.3338 -35.2830 -35.2830 -35.0024 -35.0024 -34.9871 -34.9871 -12.1876 -12.1876 -10.3906 -10.3906 -0.8096 -0.8096 -0.4837 -0.4837 0.3894 0.3894 1.1568 1.1568 2.6213 2.6213 5.0734 5.0734 10.4177 10.4177 10.8908 10.8908 12.6393 12.6393 15.7146 15.7146 k = 0.5255 0.1791-0.7892 ( 2255 PWs) bands (ev): -68.3338 -68.3338 -35.2830 -35.2830 -35.0024 -35.0024 -34.9871 -34.9871 -12.1877 -12.1877 -10.3907 -10.3907 -0.8217 -0.8217 -0.4651 -0.4651 0.3775 0.3775 1.1582 1.1582 2.6322 2.6322 5.0690 5.0690 10.4048 10.4048 10.8981 10.8981 12.6431 12.6431 15.7230 15.7230 k = 0.5383 0.1834-0.7804 ( 2257 PWs) bands (ev): -68.3338 -68.3338 -35.2830 -35.2830 -35.0024 -35.0024 -34.9871 -34.9871 -12.1880 -12.1880 -10.3910 -10.3910 -0.8392 -0.8392 -0.4367 -0.4367 0.3580 0.3580 1.1605 1.1605 2.6501 2.6501 5.0616 5.0616 10.3837 10.3837 10.9102 10.9102 12.6493 12.6493 15.7359 15.7359 k = 0.5511 0.1878-0.7715 ( 2253 PWs) bands (ev): -68.3338 -68.3338 -35.2830 -35.2830 -35.0024 -35.0024 -34.9871 -34.9871 -12.1883 -12.1883 -10.3913 -10.3913 -0.8598 -0.8598 -0.4010 -0.4010 0.3314 0.3314 1.1637 1.1637 2.6744 2.6744 5.0514 5.0514 10.3549 10.3549 10.9269 10.9269 12.6578 12.6578 15.7513 15.7513 k = 0.5639 0.1921-0.7627 ( 2254 PWs) bands (ev): -68.3338 -68.3338 -35.2830 -35.2830 -35.0024 -35.0024 -34.9871 -34.9871 -12.1888 -12.1888 -10.3917 -10.3917 -0.8816 -0.8816 -0.3598 -0.3598 0.2983 0.2983 1.1678 1.1678 2.7045 2.7045 5.0384 5.0384 10.3188 10.3188 10.9482 10.9482 12.6684 12.6684 15.7660 15.7660 k = 0.5766 0.1965-0.7539 ( 2258 PWs) bands (ev): -68.3338 -68.3338 -35.2830 -35.2830 -35.0024 -35.0024 -34.9871 -34.9871 -12.1893 -12.1893 -10.3922 -10.3922 -0.9035 -0.9035 -0.3145 -0.3145 0.2592 0.2592 1.1727 1.1727 2.7397 2.7397 5.0229 5.0229 10.2763 10.2763 10.9739 10.9739 12.6808 12.6808 15.7750 15.7750 k = 0.5894 0.2008-0.7450 ( 2261 PWs) bands (ev): -68.3338 -68.3338 -35.2830 -35.2830 -35.0024 -35.0024 -34.9871 -34.9871 -12.1900 -12.1900 -10.3927 -10.3927 -0.9245 -0.9245 -0.2658 -0.2658 0.2150 0.2150 1.1785 1.1785 2.7793 2.7793 5.0048 5.0048 10.2282 10.2282 11.0037 11.0037 12.6949 12.6949 15.7716 15.7716 k = 0.6022 0.2052-0.7362 ( 2265 PWs) bands (ev): -68.3338 -68.3338 -35.2830 -35.2830 -35.0024 -35.0024 -34.9871 -34.9871 -12.1908 -12.1908 -10.3932 -10.3932 -0.9444 -0.9444 -0.2145 -0.2145 0.1663 0.1663 1.1852 1.1852 2.8224 2.8224 4.9845 4.9845 10.1753 10.1753 11.0376 11.0376 12.7104 12.7104 15.7491 15.7491 k = 0.6149 0.2095-0.7274 ( 2259 PWs) bands (ev): -68.3338 -68.3338 -35.2830 -35.2830 -35.0024 -35.0024 -34.9870 -34.9870 -12.1918 -12.1918 -10.3937 -10.3937 -0.9626 -0.9626 -0.1611 -0.1611 0.1140 0.1140 1.1927 1.1927 2.8684 2.8684 4.9620 4.9620 10.1185 10.1185 11.0751 11.0751 12.7269 12.7269 15.7051 15.7051 k = 0.6277 0.2139-0.7185 ( 2258 PWs) bands (ev): -68.3338 -68.3338 -35.2829 -35.2829 -35.0023 -35.0023 -34.9870 -34.9870 -12.1929 -12.1929 -10.3942 -10.3942 -0.9790 -0.9790 -0.1066 -0.1066 0.0593 0.0593 1.2009 1.2009 2.9165 2.9165 4.9377 4.9377 10.0587 10.0587 11.1161 11.1161 12.7442 12.7442 15.6429 15.6429 k = 0.6405 0.2182-0.7097 ( 2256 PWs) bands (ev): -68.3338 -68.3338 -35.2829 -35.2829 -35.0023 -35.0023 -34.9870 -34.9870 -12.1943 -12.1943 -10.3947 -10.3947 -0.9934 -0.9934 -0.0564 -0.0564 0.0078 0.0078 1.2098 1.2098 2.9660 2.9660 4.9116 4.9116 9.9968 9.9968 11.1602 11.1602 12.7620 12.7620 15.5689 15.5689 k = 0.6532 0.2226-0.7009 ( 2253 PWs) bands (ev): -68.3338 -68.3338 -35.2829 -35.2829 -35.0023 -35.0023 -34.9869 -34.9869 -12.1958 -12.1958 -10.3951 -10.3951 -1.0057 -1.0057 -0.0710 -0.0710 0.0204 0.0204 1.2195 1.2195 3.0163 3.0163 4.8841 4.8841 9.9335 9.9335 11.2071 11.2071 12.7799 12.7799 15.4886 15.4886 k = 0.6532 0.2226-0.7009 ( 2253 PWs) bands (ev): -68.3338 -68.3338 -35.2829 -35.2829 -35.0023 -35.0023 -34.9869 -34.9869 -12.1958 -12.1958 -10.3951 -10.3951 -1.0057 -1.0057 -0.0710 -0.0710 0.0204 0.0204 1.2195 1.2195 3.0163 3.0163 4.8841 4.8841 9.9335 9.9335 11.2071 11.2071 12.7799 12.7799 15.4886 15.4886 k = 0.6502 0.2216-0.6851 ( 2255 PWs) bands (ev): -68.3338 -68.3338 -35.2828 -35.2828 -35.0022 -35.0022 -34.9869 -34.9869 -12.1974 -12.1974 -10.4025 -10.4025 -0.9721 -0.9721 -0.1138 -0.1138 0.0324 0.0324 1.2223 1.2223 3.0462 3.0462 4.8902 4.8902 9.9296 9.9296 11.2080 11.2080 12.7880 12.7880 15.4931 15.4931 k = 0.6472 0.2205-0.6692 ( 2253 PWs) bands (ev): -68.3339 -68.3339 -35.2827 -35.2827 -35.0022 -35.0022 -34.9868 -34.9868 -12.1997 -12.1997 -10.4106 -10.4106 -0.9377 -0.9377 -0.1600 -0.1600 0.0493 0.0493 1.2259 1.2259 3.0786 3.0786 4.8970 4.8970 9.9282 9.9282 11.2096 11.2096 12.7964 12.7964 15.4930 15.4930 k = 0.6442 0.2195-0.6534 ( 2255 PWs) bands (ev): -68.3339 -68.3339 -35.2827 -35.2827 -35.0021 -35.0021 -34.9867 -34.9867 -12.2029 -12.2029 -10.4192 -10.4192 -0.9022 -0.9022 -0.2063 -0.2063 0.0682 0.0682 1.2301 1.2301 3.1134 3.1134 4.9044 4.9044 9.9291 9.9291 11.2121 11.2121 12.8048 12.8048 15.4880 15.4880 k = 0.6412 0.2185-0.6376 ( 2253 PWs) bands (ev): -68.3339 -68.3339 -35.2826 -35.2826 -35.0020 -35.0020 -34.9866 -34.9866 -12.2068 -12.2068 -10.4283 -10.4283 -0.8660 -0.8660 -0.2521 -0.2521 0.0881 0.0881 1.2352 1.2352 3.1504 3.1504 4.9125 4.9125 9.9325 9.9325 11.2152 11.2152 12.8129 12.8129 15.4778 15.4778 k = 0.6382 0.2175-0.6218 ( 2253 PWs) bands (ev): -68.3339 -68.3339 -35.2825 -35.2825 -35.0019 -35.0019 -34.9865 -34.9865 -12.2114 -12.2114 -10.4380 -10.4380 -0.8291 -0.8291 -0.2965 -0.2965 0.1087 0.1087 1.2409 1.2409 3.1897 3.1897 4.9211 4.9211 9.9384 9.9384 11.2191 11.2191 12.8205 12.8205 15.4621 15.4621 k = 0.6352 0.2164-0.6059 ( 2255 PWs) bands (ev): -68.3339 -68.3339 -35.2824 -35.2824 -35.0018 -35.0018 -34.9863 -34.9863 -12.2167 -12.2167 -10.4482 -10.4482 -0.7920 -0.7920 -0.3391 -0.3391 0.1297 0.1297 1.2473 1.2473 3.2312 3.2312 4.9304 4.9304 9.9466 9.9466 11.2237 11.2237 12.8270 12.8270 15.4408 15.4408 k = 0.6322 0.2154-0.5901 ( 2256 PWs) bands (ev): -68.3340 -68.3340 -35.2822 -35.2822 -35.0017 -35.0017 -34.9862 -34.9862 -12.2226 -12.2226 -10.4589 -10.4589 -0.7554 -0.7554 -0.3791 -0.3791 0.1510 0.1510 1.2544 1.2544 3.2747 3.2747 4.9402 4.9402 9.9574 9.9574 11.2290 11.2290 12.8319 12.8319 15.4141 15.4141 k = 0.6292 0.2144-0.5743 ( 2253 PWs) bands (ev): -68.3340 -68.3340 -35.2821 -35.2821 -35.0015 -35.0015 -34.9860 -34.9860 -12.2292 -12.2292 -10.4701 -10.4701 -0.7210 -0.7210 -0.4147 -0.4147 0.1725 0.1725 1.2621 1.2621 3.3204 3.3204 4.9506 4.9506 9.9705 9.9705 11.2350 11.2350 12.8348 12.8348 15.3823 15.3823 k = 0.6262 0.2134-0.5585 ( 2253 PWs) bands (ev): -68.3340 -68.3340 -35.2819 -35.2819 -35.0014 -35.0014 -34.9858 -34.9858 -12.2364 -12.2364 -10.4816 -10.4816 -0.6918 -0.6918 -0.4429 -0.4429 0.1942 0.1942 1.2704 1.2704 3.3680 3.3680 4.9616 4.9616 9.9861 9.9861 11.2416 11.2416 12.8349 12.8349 15.3463 15.3463 k = 0.6232 0.2124-0.5427 ( 2255 PWs) bands (ev): -68.3340 -68.3340 -35.2818 -35.2818 -35.0013 -35.0013 -34.9856 -34.9856 -12.2442 -12.2442 -10.4936 -10.4936 -0.6734 -0.6734 -0.4582 -0.4582 0.2159 0.2159 1.2794 1.2794 3.4176 3.4176 4.9731 4.9731 10.0040 10.0040 11.2488 11.2488 12.8315 12.8315 15.3068 15.3068 k = 0.6202 0.2113-0.5268 ( 2257 PWs) bands (ev): -68.3341 -68.3341 -35.2816 -35.2816 -35.0011 -35.0011 -34.9854 -34.9854 -12.2525 -12.2525 -10.5060 -10.5060 -0.6717 -0.6717 -0.4547 -0.4547 0.2378 0.2378 1.2889 1.2889 3.4689 3.4689 4.9851 4.9851 10.0243 10.0243 11.2566 11.2566 12.8239 12.8239 15.2651 15.2651 k = 0.6172 0.2103-0.5110 ( 2259 PWs) bands (ev): -68.3341 -68.3341 -35.2815 -35.2815 -35.0010 -35.0010 -34.9852 -34.9852 -12.2613 -12.2613 -10.5187 -10.5187 -0.6865 -0.6865 -0.4328 -0.4328 0.2598 0.2598 1.2990 1.2990 3.5221 3.5221 4.9975 4.9975 10.0470 10.0470 11.2650 11.2650 12.8113 12.8113 15.2223 15.2223 k = 0.6142 0.2093-0.4952 ( 2257 PWs) bands (ev): -68.3341 -68.3341 -35.2813 -35.2813 -35.0009 -35.0009 -34.9849 -34.9849 -12.2705 -12.2705 -10.5317 -10.5317 -0.7118 -0.7118 -0.3985 -0.3985 0.2821 0.2821 1.3095 1.3095 3.5768 3.5768 5.0104 5.0104 10.0719 10.0719 11.2738 11.2738 12.7929 12.7929 15.1798 15.1798 k = 0.6112 0.2083-0.4794 ( 2253 PWs) bands (ev): -68.3342 -68.3342 -35.2811 -35.2811 -35.0007 -35.0007 -34.9847 -34.9847 -12.2802 -12.2802 -10.5450 -10.5450 -0.7423 -0.7423 -0.3572 -0.3572 0.3046 0.3046 1.3206 1.3206 3.6331 3.6331 5.0237 5.0237 10.0991 10.0991 11.2832 11.2832 12.7680 12.7680 15.1386 15.1386 k = 0.6082 0.2072-0.4636 ( 2259 PWs) bands (ev): -68.3342 -68.3342 -35.2809 -35.2809 -35.0006 -35.0006 -34.9844 -34.9844 -12.2902 -12.2902 -10.5585 -10.5585 -0.7753 -0.7753 -0.3122 -0.3122 0.3276 0.3276 1.3321 1.3321 3.6909 3.6909 5.0374 5.0374 10.1283 10.1283 11.2930 11.2930 12.7361 12.7361 15.0998 15.0998 k = 0.6052 0.2062-0.4477 ( 2255 PWs) bands (ev): -68.3342 -68.3342 -35.2807 -35.2807 -35.0004 -35.0004 -34.9841 -34.9841 -12.3006 -12.3006 -10.5722 -10.5722 -0.8091 -0.8091 -0.2651 -0.2651 0.3512 0.3512 1.3440 1.3440 3.7500 3.7500 5.0514 5.0514 10.1598 10.1598 11.3033 11.3033 12.6967 12.6967 15.0638 15.0638 k = 0.6022 0.2052-0.4319 ( 2261 PWs) bands (ev): -68.3343 -68.3343 -35.2805 -35.2805 -35.0003 -35.0003 -34.9839 -34.9839 -12.3113 -12.3113 -10.5861 -10.5861 -0.8432 -0.8432 -0.2170 -0.2170 0.3756 0.3756 1.3564 1.3564 3.8103 3.8103 5.0658 5.0658 10.1932 10.1932 11.3140 11.3140 12.6497 12.6497 15.0309 15.0309 k = 0.5992 0.2042-0.4161 ( 2267 PWs) bands (ev): -68.3343 -68.3343 -35.2804 -35.2804 -35.0001 -35.0001 -34.9836 -34.9836 -12.3222 -12.3222 -10.6001 -10.6001 -0.8770 -0.8770 -0.1686 -0.1686 0.4012 0.4012 1.3690 1.3690 3.8718 3.8718 5.0804 5.0804 10.2285 10.2285 11.3250 11.3250 12.5949 12.5949 15.0010 15.0010 k = 0.5962 0.2031-0.4003 ( 2263 PWs) bands (ev): -68.3344 -68.3344 -35.2801 -35.2801 -35.0000 -35.0000 -34.9832 -34.9832 -12.3333 -12.3333 -10.6142 -10.6142 -0.9103 -0.9103 -0.1207 -0.1207 0.4283 0.4283 1.3820 1.3820 3.9342 3.9342 5.0952 5.0952 10.2657 10.2657 11.3363 11.3363 12.5328 12.5328 14.9737 14.9737 k = 0.5931 0.2021-0.3845 ( 2259 PWs) bands (ev): -68.3344 -68.3344 -35.2799 -35.2799 -34.9998 -34.9998 -34.9829 -34.9829 -12.3446 -12.3446 -10.6283 -10.6283 -0.9430 -0.9430 -0.0740 -0.0740 0.4573 0.4573 1.3952 1.3952 3.9975 3.9975 5.1103 5.1103 10.3046 10.3046 11.3480 11.3480 12.4636 12.4636 14.9480 14.9480 k = 0.5901 0.2011-0.3686 ( 2259 PWs) bands (ev): -68.3345 -68.3345 -35.2797 -35.2797 -34.9997 -34.9997 -34.9826 -34.9826 -12.3561 -12.3561 -10.6425 -10.6425 -0.9748 -0.9748 -0.0290 -0.0290 0.4885 0.4885 1.4086 1.4086 4.0615 4.0615 5.1255 5.1255 10.3451 10.3451 11.3598 11.3598 12.3881 12.3881 14.9230 14.9230 k = 0.5871 0.2001-0.3528 ( 2257 PWs) bands (ev): -68.3345 -68.3345 -35.2795 -35.2795 -34.9995 -34.9995 -34.9822 -34.9822 -12.3676 -12.3676 -10.6566 -10.6566 -1.0059 -1.0059 0.0138 0.0138 0.5223 0.5223 1.4222 1.4222 4.1260 4.1260 5.1409 5.1409 10.3870 10.3870 11.3718 11.3718 12.3070 12.3070 14.8976 14.8976 k = 0.5841 0.1990-0.3370 ( 2257 PWs) bands (ev): -68.3345 -68.3345 -35.2793 -35.2793 -34.9994 -34.9994 -34.9819 -34.9819 -12.3791 -12.3791 -10.6706 -10.6706 -1.0361 -1.0361 0.0537 0.0537 0.5591 0.5591 1.4360 1.4360 4.1910 4.1910 5.1563 5.1563 10.4301 10.4301 11.3840 11.3840 12.2210 12.2210 14.8707 14.8707 k = 0.5811 0.1980-0.3212 ( 2263 PWs) bands (ev): -68.3346 -68.3346 -35.2791 -35.2791 -34.9993 -34.9993 -34.9816 -34.9816 -12.3906 -12.3906 -10.6846 -10.6846 -1.0653 -1.0653 0.0905 0.0905 0.5991 0.5991 1.4498 1.4498 4.2562 4.2562 5.1717 5.1717 10.4742 10.4742 11.3963 11.3963 12.1312 12.1312 14.8414 14.8414 k = 0.5781 0.1970-0.3054 ( 2263 PWs) bands (ev): -68.3346 -68.3346 -35.2789 -35.2789 -34.9991 -34.9991 -34.9812 -34.9812 -12.4021 -12.4021 -10.6984 -10.6984 -1.0936 -1.0936 0.1238 0.1238 0.6423 0.6423 1.4636 1.4636 4.3216 4.3216 5.1871 5.1871 10.5191 10.5191 11.4086 11.4086 12.0385 12.0385 14.8092 14.8092 k = 0.5751 0.1960-0.2895 ( 2263 PWs) bands (ev): -68.3347 -68.3347 -35.2787 -35.2787 -34.9990 -34.9990 -34.9809 -34.9809 -12.4136 -12.4136 -10.7120 -10.7120 -1.1210 -1.1210 0.1538 0.1538 0.6886 0.6886 1.4775 1.4775 4.3869 4.3869 5.2025 5.2025 10.5644 10.5644 11.4211 11.4211 11.9438 11.9438 14.7737 14.7737 k = 0.5721 0.1949-0.2737 ( 2267 PWs) bands (ev): -68.3347 -68.3347 -35.2785 -35.2785 -34.9989 -34.9989 -34.9805 -34.9805 -12.4249 -12.4249 -10.7254 -10.7254 -1.1474 -1.1474 0.1804 0.1804 0.7377 0.7377 1.4913 1.4913 4.4520 4.4520 5.2178 5.2178 10.6096 10.6096 11.4334 11.4334 11.8483 11.8483 14.7348 14.7348 k = 0.5691 0.1939-0.2579 ( 2265 PWs) bands (ev): -68.3347 -68.3347 -35.2783 -35.2783 -34.9988 -34.9988 -34.9802 -34.9802 -12.4360 -12.4360 -10.7385 -10.7385 -1.1727 -1.1727 0.2039 0.2039 0.7893 0.7893 1.5051 1.5051 4.5167 4.5167 5.2329 5.2329 10.6543 10.6543 11.4457 11.4457 11.7529 11.7529 14.6926 14.6926 k = 0.5661 0.1929-0.2421 ( 2273 PWs) bands (ev): -68.3348 -68.3348 -35.2781 -35.2781 -34.9987 -34.9987 -34.9798 -34.9798 -12.4470 -12.4470 -10.7514 -10.7514 -1.1971 -1.1971 0.2246 0.2246 0.8428 0.8428 1.5186 1.5186 4.5807 4.5807 5.2478 5.2478 10.6975 10.6975 11.4578 11.4578 11.6591 11.6591 14.6475 14.6475 k = 0.5631 0.1919-0.2262 ( 2273 PWs) bands (ev): -68.3348 -68.3348 -35.2779 -35.2779 -34.9986 -34.9986 -34.9795 -34.9795 -12.4577 -12.4577 -10.7640 -10.7640 -1.2205 -1.2205 0.2429 0.2429 0.8978 0.8978 1.5321 1.5321 4.6440 4.6440 5.2624 5.2624 10.7381 10.7381 11.4698 11.4698 11.5685 11.5685 14.6000 14.6000 k = 0.5601 0.1909-0.2104 ( 2275 PWs) bands (ev): -68.3349 -68.3349 -35.2778 -35.2778 -34.9985 -34.9985 -34.9792 -34.9792 -12.4681 -12.4681 -10.7762 -10.7762 -1.2427 -1.2427 0.2588 0.2588 0.9538 0.9538 1.5452 1.5452 4.7063 4.7063 5.2768 5.2768 10.7742 10.7742 11.4806 11.4806 11.4845 11.4845 14.5504 14.5504 k = 0.5571 0.1898-0.1946 ( 2276 PWs) bands (ev): -68.3349 -68.3349 -35.2776 -35.2776 -34.9984 -34.9984 -34.9788 -34.9788 -12.4783 -12.4783 -10.7880 -10.7880 -1.2640 -1.2640 0.2729 0.2729 1.0103 1.0103 1.5581 1.5581 4.7675 4.7675 5.2908 5.2908 10.8029 10.8029 11.4070 11.4070 11.4933 11.4933 14.4993 14.4993 k = 0.5541 0.1888-0.1788 ( 2280 PWs) bands (ev): -68.3349 -68.3349 -35.2774 -35.2774 -34.9983 -34.9983 -34.9785 -34.9785 -12.4881 -12.4881 -10.7994 -10.7994 -1.2842 -1.2842 0.2853 0.2853 1.0668 1.0668 1.5707 1.5707 4.8272 4.8272 5.3044 5.3044 10.8197 10.8197 11.3441 11.3441 11.5045 11.5045 14.4472 14.4472 k = 0.5511 0.1878-0.1630 ( 2280 PWs) bands (ev): -68.3350 -68.3350 -35.2772 -35.2772 -34.9982 -34.9982 -34.9782 -34.9782 -12.4976 -12.4976 -10.8103 -10.8103 -1.3033 -1.3033 0.2963 0.2963 1.1229 1.1229 1.5828 1.5828 4.8854 4.8854 5.3176 5.3176 10.8192 10.8192 11.3004 11.3004 11.5155 11.5155 14.3947 14.3947 k = 0.5481 0.1868-0.1471 ( 2278 PWs) bands (ev): -68.3350 -68.3350 -35.2771 -35.2771 -34.9981 -34.9981 -34.9779 -34.9779 -12.5067 -12.5067 -10.8208 -10.8208 -1.3214 -1.3214 0.3059 0.3059 1.1783 1.1783 1.5946 1.5946 4.9419 4.9419 5.3304 5.3304 10.7980 10.7980 11.2796 11.2796 11.5260 11.5260 14.3423 14.3423 k = 0.5451 0.1857-0.1313 ( 2278 PWs) bands (ev): -68.3350 -68.3350 -35.2769 -35.2769 -34.9981 -34.9981 -34.9776 -34.9776 -12.5154 -12.5154 -10.8308 -10.8308 -1.3384 -1.3384 0.3145 0.3145 1.2325 1.2325 1.6059 1.6059 4.9963 4.9963 5.3426 5.3426 10.7576 10.7576 11.2801 11.2801 11.5362 11.5362 14.2904 14.2904 k = 0.5421 0.1847-0.1155 ( 2282 PWs) bands (ev): -68.3351 -68.3351 -35.2768 -35.2768 -34.9980 -34.9980 -34.9773 -34.9773 -12.5236 -12.5236 -10.8403 -10.8403 -1.3544 -1.3544 0.3220 0.3220 1.2851 1.2851 1.6167 1.6167 5.0484 5.0484 5.3542 5.3542 10.7039 10.7039 11.2962 11.2962 11.5459 11.5459 14.2394 14.2394 k = 0.5391 0.1837-0.0997 ( 2280 PWs) bands (ev): -68.3351 -68.3351 -35.2766 -35.2766 -34.9979 -34.9979 -34.9770 -34.9770 -12.5314 -12.5314 -10.8492 -10.8492 -1.3692 -1.3692 0.3287 0.3287 1.3358 1.3358 1.6269 1.6269 5.0982 5.0982 5.3653 5.3653 10.6432 10.6432 11.3219 11.3219 11.5551 11.5551 14.1900 14.1900 k = 0.5361 0.1827-0.0839 ( 2278 PWs) bands (ev): -68.3351 -68.3351 -35.2765 -35.2765 -34.9979 -34.9979 -34.9768 -34.9768 -12.5387 -12.5387 -10.8575 -10.8575 -1.3830 -1.3830 0.3346 0.3346 1.3844 1.3844 1.6366 1.6366 5.1453 5.1453 5.3757 5.3757 10.5799 10.5799 11.3528 11.3528 11.5638 11.5638 14.1424 14.1424 k = 0.5331 0.1816-0.0680 ( 2276 PWs) bands (ev): -68.3352 -68.3352 -35.2764 -35.2764 -34.9978 -34.9978 -34.9765 -34.9765 -12.5455 -12.5455 -10.8653 -10.8653 -1.3957 -1.3957 0.3397 0.3397 1.4303 1.4303 1.6456 1.6456 5.1895 5.1895 5.3855 5.3855 10.5170 10.5170 11.3861 11.3861 11.5720 11.5720 14.0970 14.0970 k = 0.5300 0.1806-0.0522 ( 2277 PWs) bands (ev): -68.3352 -68.3352 -35.2763 -35.2763 -34.9977 -34.9977 -34.9763 -34.9763 -12.5518 -12.5518 -10.8725 -10.8725 -1.4073 -1.4073 0.3443 0.3443 1.4735 1.4735 1.6540 1.6540 5.2307 5.2307 5.3945 5.3945 10.4562 10.4562 11.4198 11.4198 11.5795 11.5795 14.0543 14.0543 k = 0.5270 0.1796-0.0364 ( 2277 PWs) bands (ev): -68.3352 -68.3352 -35.2762 -35.2762 -34.9977 -34.9977 -34.9761 -34.9761 -12.5575 -12.5575 -10.8790 -10.8790 -1.4178 -1.4178 0.3482 0.3482 1.5135 1.5135 1.6617 1.6617 5.2686 5.2686 5.4028 5.4028 10.3988 10.3988 11.4528 11.4528 11.5865 11.5865 14.0146 14.0146 k = 0.5240 0.1786-0.0206 ( 2266 PWs) bands (ev): -68.3352 -68.3352 -35.2761 -35.2761 -34.9976 -34.9976 -34.9759 -34.9759 -12.5627 -12.5627 -10.8848 -10.8848 -1.4272 -1.4272 0.3517 0.3517 1.5501 1.5501 1.6687 1.6687 5.3031 5.3031 5.4104 5.4104 10.3459 10.3459 11.4841 11.4841 11.5928 11.5928 13.9781 13.9781 k = 0.5210 0.1775-0.0048 ( 2268 PWs) bands (ev): -68.3352 -68.3352 -35.2760 -35.2760 -34.9976 -34.9976 -34.9757 -34.9757 -12.5672 -12.5672 -10.8901 -10.8901 -1.4355 -1.4355 0.3546 0.3546 1.5830 1.5830 1.6749 1.6749 5.3339 5.3339 5.4172 5.4172 10.2979 10.2979 11.5131 11.5131 11.5984 11.5984 13.9453 13.9453 k = 0.5180 0.1765 0.0111 ( 2266 PWs) bands (ev): -68.3352 -68.3352 -35.2759 -35.2759 -34.9976 -34.9976 -34.9756 -34.9756 -12.5712 -12.5712 -10.8946 -10.8946 -1.4427 -1.4427 0.3571 0.3571 1.6120 1.6120 1.6804 1.6804 5.3608 5.3608 5.4232 5.4232 10.2554 10.2554 11.5391 11.5391 11.6034 11.6034 13.9162 13.9162 k = 0.5150 0.1755 0.0269 ( 2260 PWs) bands (ev): -68.3352 -68.3352 -35.2758 -35.2758 -34.9975 -34.9975 -34.9754 -34.9754 -12.5746 -12.5746 -10.8985 -10.8985 -1.4488 -1.4488 0.3591 0.3591 1.6368 1.6368 1.6852 1.6852 5.3838 5.3838 5.4285 5.4285 10.2188 10.2188 11.5618 11.5618 11.6078 11.6078 13.8913 13.8913 k = 0.5120 0.1745 0.0427 ( 2250 PWs) bands (ev): -68.3352 -68.3352 -35.2758 -35.2758 -34.9975 -34.9975 -34.9753 -34.9753 -12.5774 -12.5774 -10.9017 -10.9017 -1.4538 -1.4538 0.3608 0.3608 1.6573 1.6573 1.6893 1.6893 5.4025 5.4025 5.4331 5.4331 10.1885 10.1885 11.5807 11.5807 11.6115 11.6115 13.8706 13.8706 k = 0.5090 0.1734 0.0585 ( 2246 PWs) bands (ev): -68.3353 -68.3353 -35.2757 -35.2757 -34.9974 -34.9974 -34.9752 -34.9752 -12.5796 -12.5796 -10.9041 -10.9041 -1.4577 -1.4577 0.3621 0.3621 1.6731 1.6731 1.6927 1.6927 5.4166 5.4166 5.4374 5.4374 10.1647 10.1647 11.5954 11.5954 11.6148 11.6148 13.8543 13.8543 k = 0.5060 0.1724 0.0743 ( 2240 PWs) bands (ev): -68.3353 -68.3353 -35.2757 -35.2757 -34.9974 -34.9974 -34.9752 -34.9752 -12.5812 -12.5812 -10.9059 -10.9059 -1.4604 -1.4604 0.3630 0.3630 1.6838 1.6838 1.6959 1.6959 5.4257 5.4257 5.4413 5.4413 10.1475 10.1475 11.6052 11.6052 11.6179 11.6179 13.8426 13.8426 k = 0.5030 0.1714 0.0902 ( 2236 PWs) bands (ev): -68.3353 -68.3353 -35.2756 -35.2756 -34.9974 -34.9974 -34.9751 -34.9751 -12.5821 -12.5821 -10.9070 -10.9070 -1.4621 -1.4621 0.3635 0.3635 1.6893 1.6893 1.6989 1.6989 5.4304 5.4304 5.4445 5.4445 10.1372 10.1372 11.6102 11.6102 11.6207 11.6207 13.8355 13.8355 k = 0.5000 0.1704 0.1060 ( 2236 PWs) bands (ev): -68.3353 -68.3353 -35.2756 -35.2756 -34.9974 -34.9974 -34.9751 -34.9751 -12.5824 -12.5824 -10.9073 -10.9073 -1.4627 -1.4627 0.3637 0.3637 1.6908 1.6908 1.7002 1.7002 5.4318 5.4318 5.4458 5.4458 10.1337 10.1337 11.6116 11.6116 11.6220 11.6220 13.8332 13.8332 k = 0.5000-0.6485-0.4034 ( 2260 PWs) bands (ev): -68.3338 -68.3338 -35.2830 -35.2830 -35.0024 -35.0024 -34.9871 -34.9871 -12.2298 -12.2298 -10.3073 -10.3073 -1.2229 -1.2229 -0.9909 -0.9909 1.1861 1.1861 1.4258 1.4258 3.3588 3.3588 4.2707 4.2707 9.0824 9.0824 12.2006 12.2006 12.6594 12.6594 14.8694 14.8694 k = 0.5133-0.6411-0.3988 ( 2259 PWs) bands (ev): -68.3338 -68.3338 -35.2830 -35.2830 -35.0024 -35.0024 -34.9871 -34.9871 -12.2296 -12.2296 -10.3076 -10.3076 -1.2239 -1.2239 -0.9873 -0.9873 1.1828 1.1828 1.4251 1.4251 3.3588 3.3588 4.2724 4.2724 9.0840 9.0840 12.1977 12.1977 12.6611 12.6611 14.8681 14.8681 k = 0.5267-0.6337-0.3942 ( 2255 PWs) bands (ev): -68.3338 -68.3338 -35.2830 -35.2830 -35.0024 -35.0024 -34.9871 -34.9871 -12.2293 -12.2293 -10.3084 -10.3084 -1.2269 -1.2269 -0.9770 -0.9770 1.1728 1.1728 1.4231 1.4231 3.3589 3.3589 4.2775 4.2775 9.0886 9.0886 12.1891 12.1891 12.6660 12.6660 14.8642 14.8642 k = 0.5400-0.6263-0.3896 ( 2254 PWs) bands (ev): -68.3338 -68.3338 -35.2830 -35.2830 -35.0024 -35.0024 -34.9871 -34.9871 -12.2287 -12.2287 -10.3097 -10.3097 -1.2312 -1.2312 -0.9605 -0.9605 1.1562 1.1562 1.4198 1.4198 3.3588 3.3588 4.2858 4.2858 9.0964 9.0964 12.1748 12.1748 12.6740 12.6740 14.8581 14.8581 k = 0.5533-0.6189-0.3850 ( 2250 PWs) bands (ev): -68.3338 -68.3338 -35.2830 -35.2830 -35.0024 -35.0024 -34.9870 -34.9870 -12.2280 -12.2280 -10.3115 -10.3115 -1.2359 -1.2359 -0.9387 -0.9387 1.1334 1.1334 1.4152 1.4152 3.3585 3.3585 4.2975 4.2975 9.1074 9.1074 12.1550 12.1550 12.6848 12.6848 14.8504 14.8504 k = 0.5666-0.6115-0.3804 ( 2246 PWs) bands (ev): -68.3338 -68.3338 -35.2830 -35.2830 -35.0024 -35.0024 -34.9870 -34.9870 -12.2270 -12.2270 -10.3138 -10.3138 -1.2402 -1.2402 -0.9124 -0.9124 1.1045 1.1045 1.4095 1.4095 3.3577 3.3577 4.3122 4.3122 9.1216 9.1216 12.1299 12.1299 12.6981 12.6981 14.8420 14.8420 k = 0.5800-0.6040-0.3758 ( 2247 PWs) bands (ev): -68.3338 -68.3338 -35.2830 -35.2830 -35.0024 -35.0024 -34.9870 -34.9870 -12.2258 -12.2258 -10.3166 -10.3166 -1.2437 -1.2437 -0.8823 -0.8823 1.0699 1.0699 1.4025 1.4025 3.3560 3.3560 4.3300 4.3300 9.1392 9.1392 12.0997 12.0997 12.7132 12.7132 14.8337 14.8337 k = 0.5933-0.5966-0.3712 ( 2246 PWs) bands (ev): -68.3338 -68.3338 -35.2830 -35.2830 -35.0024 -35.0024 -34.9870 -34.9870 -12.2244 -12.2244 -10.3198 -10.3198 -1.2460 -1.2460 -0.8487 -0.8487 1.0301 1.0301 1.3946 1.3946 3.3532 3.3532 4.3507 4.3507 9.1602 9.1602 12.0648 12.0648 12.7298 12.7298 14.8267 14.8267 k = 0.6066-0.5892-0.3666 ( 2250 PWs) bands (ev): -68.3338 -68.3338 -35.2830 -35.2830 -35.0024 -35.0024 -34.9870 -34.9870 -12.2229 -12.2229 -10.3234 -10.3234 -1.2465 -1.2465 -0.8122 -0.8122 0.9854 0.9854 1.3857 1.3857 3.3490 3.3490 4.3740 4.3740 9.1848 9.1848 12.0255 12.0255 12.7471 12.7471 14.8220 14.8220 k = 0.6199-0.5818-0.3620 ( 2250 PWs) bands (ev): -68.3338 -68.3338 -35.2830 -35.2830 -35.0024 -35.0024 -34.9870 -34.9870 -12.2212 -12.2212 -10.3274 -10.3274 -1.2453 -1.2453 -0.7730 -0.7730 0.9363 0.9363 1.3760 1.3760 3.3430 3.3430 4.3999 4.3999 9.2129 9.2129 11.9822 11.9822 12.7645 12.7645 14.8207 14.8207 k = 0.6333-0.5744-0.3573 ( 2250 PWs) bands (ev): -68.3338 -68.3338 -35.2830 -35.2830 -35.0024 -35.0024 -34.9870 -34.9870 -12.2194 -12.2194 -10.3317 -10.3317 -1.2421 -1.2421 -0.7313 -0.7313 0.8833 0.8833 1.3656 1.3656 3.3350 3.3350 4.4280 4.4280 9.2447 9.2447 11.9353 11.9353 12.7813 12.7813 14.8239 14.8239 k = 0.6466-0.5670-0.3527 ( 2250 PWs) bands (ev): -68.3338 -68.3338 -35.2830 -35.2830 -35.0024 -35.0024 -34.9870 -34.9870 -12.2175 -12.2175 -10.3363 -10.3363 -1.2367 -1.2367 -0.6875 -0.6875 0.8267 0.8267 1.3547 1.3547 3.3247 3.3247 4.4582 4.4582 9.2801 9.2801 11.8852 11.8852 12.7968 12.7968 14.8326 14.8326 k = 0.6599-0.5596-0.3481 ( 2251 PWs) bands (ev): -68.3338 -68.3338 -35.2830 -35.2830 -35.0024 -35.0024 -34.9870 -34.9870 -12.2155 -12.2155 -10.3411 -10.3411 -1.2293 -1.2293 -0.6416 -0.6416 0.7670 0.7670 1.3432 1.3432 3.3120 3.3120 4.4902 4.4902 9.3192 9.3192 11.8323 11.8323 12.8105 12.8105 14.8475 14.8475 k = 0.6732-0.5522-0.3435 ( 2250 PWs) bands (ev): -68.3338 -68.3338 -35.2829 -35.2829 -35.0023 -35.0023 -34.9870 -34.9870 -12.2134 -12.2134 -10.3462 -10.3462 -1.2196 -1.2196 -0.5938 -0.5938 0.7046 0.7046 1.3315 1.3315 3.2968 3.2968 4.5238 4.5238 9.3618 9.3618 11.7772 11.7772 12.8217 12.8217 14.8695 14.8695 k = 0.6866-0.5448-0.3389 ( 2251 PWs) bands (ev): -68.3338 -68.3338 -35.2829 -35.2829 -35.0023 -35.0023 -34.9870 -34.9870 -12.2113 -12.2113 -10.3513 -10.3513 -1.2078 -1.2078 -0.5444 -0.5444 0.6399 0.6399 1.3195 1.3195 3.2789 3.2789 4.5587 4.5587 9.4079 9.4079 11.7203 11.7203 12.8301 12.8301 14.8990 14.8990 k = 0.6999-0.5374-0.3343 ( 2254 PWs) bands (ev): -68.3338 -68.3338 -35.2829 -35.2829 -35.0024 -35.0024 -34.9870 -34.9870 -12.2092 -12.2092 -10.3566 -10.3566 -1.1937 -1.1937 -0.4935 -0.4935 0.5732 0.5732 1.3074 1.3074 3.2584 3.2584 4.5946 4.5946 9.4572 9.4572 11.6621 11.6621 12.8354 12.8354 14.9363 14.9363 k = 0.7132-0.5300-0.3297 ( 2256 PWs) bands (ev): -68.3338 -68.3338 -35.2829 -35.2829 -35.0024 -35.0024 -34.9870 -34.9870 -12.2072 -12.2072 -10.3619 -10.3619 -1.1774 -1.1774 -0.4414 -0.4414 0.5050 0.5050 1.2953 1.2953 3.2353 3.2353 4.6313 4.6313 9.5097 9.5097 11.6030 11.6030 12.8375 12.8375 14.9815 14.9815 k = 0.7265-0.5226-0.3251 ( 2251 PWs) bands (ev): -68.3338 -68.3338 -35.2829 -35.2829 -35.0023 -35.0023 -34.9870 -34.9870 -12.2051 -12.2051 -10.3671 -10.3671 -1.1590 -1.1590 -0.3882 -0.3882 0.4355 0.4355 1.2834 1.2834 3.2097 3.2097 4.6685 4.6685 9.5649 9.5649 11.5436 11.5436 12.8366 12.8366 15.0345 15.0345 k = 0.7399-0.5152-0.3205 ( 2255 PWs) bands (ev): -68.3338 -68.3338 -35.2829 -35.2829 -35.0023 -35.0023 -34.9870 -34.9870 -12.2032 -12.2032 -10.3723 -10.3723 -1.1384 -1.1384 -0.3341 -0.3341 0.3650 0.3650 1.2716 1.2716 3.1818 3.1818 4.7058 4.7058 9.6226 9.6226 11.4844 11.4844 12.8326 12.8326 15.0950 15.0950 k = 0.7532-0.5078-0.3159 ( 2253 PWs) bands (ev): -68.3338 -68.3338 -35.2829 -35.2829 -35.0023 -35.0023 -34.9870 -34.9870 -12.2014 -12.2014 -10.3774 -10.3774 -1.1157 -1.1157 -0.2794 -0.2794 0.2940 0.2940 1.2602 1.2602 3.1518 3.1518 4.7429 4.7429 9.6824 9.6824 11.4258 11.4258 12.8260 12.8260 15.1625 15.1625 k = 0.7665-0.5003-0.3113 ( 2251 PWs) bands (ev): -68.3338 -68.3338 -35.2829 -35.2829 -35.0023 -35.0023 -34.9870 -34.9870 -12.1997 -12.1997 -10.3822 -10.3822 -1.0910 -1.0910 -0.2244 -0.2244 0.2227 0.2227 1.2492 1.2492 3.1199 3.1199 4.7797 4.7797 9.7439 9.7439 11.3683 11.3683 12.8170 12.8170 15.2364 15.2364 k = 0.7798-0.4929-0.3067 ( 2249 PWs) bands (ev): -68.3338 -68.3338 -35.2829 -35.2829 -35.0023 -35.0023 -34.9869 -34.9869 -12.1982 -12.1982 -10.3868 -10.3868 -1.0643 -1.0643 -0.1697 -0.1697 0.1517 0.1517 1.2387 1.2387 3.0865 3.0865 4.8157 4.8157 9.8066 9.8066 11.3124 11.3124 12.8061 12.8061 15.3161 15.3161 k = 0.7932-0.4855-0.3020 ( 2251 PWs) bands (ev): -68.3338 -68.3338 -35.2829 -35.2829 -35.0023 -35.0023 -34.9869 -34.9869 -12.1968 -12.1968 -10.3911 -10.3911 -1.0359 -1.0359 -0.1165 -0.1165 0.0821 0.0821 1.2288 1.2288 3.0518 3.0518 4.8505 4.8505 9.8700 9.8700 11.2585 11.2585 12.7936 12.7936 15.4005 15.4005 k = 0.8065-0.4781-0.2974 ( 2253 PWs) bands (ev): -68.3338 -68.3338 -35.2829 -35.2829 -35.0023 -35.0023 -34.9869 -34.9869 -12.1958 -12.1958 -10.3951 -10.3951 -1.0057 -1.0057 -0.0710 -0.0710 0.0204 0.0204 1.2195 1.2195 3.0163 3.0163 4.8841 4.8841 9.9335 9.9335 11.2071 11.2071 12.7799 12.7799 15.4886 15.4886 Writing output data file MgCN2.save init_run : 0.14s CPU 0.34s WALL ( 1 calls) electrons : 70.56s CPU 72.41s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.07s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 70.56s CPU 72.40s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.01s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.03s WALL ( 380 calls) cegterg : 63.85s CPU 64.66s WALL ( 420 calls) Called by sum_band: Called by *egterg: h_psi : 45.25s CPU 46.02s WALL ( 6428 calls) s_psi : 0.60s CPU 0.52s WALL ( 6428 calls) g_psi : 0.05s CPU 0.07s WALL ( 5628 calls) cdiaghg : 20.09s CPU 20.28s WALL ( 6008 calls) cegterg:over : 1.46s CPU 1.52s WALL ( 5628 calls) cegterg:upda : 0.99s CPU 1.07s WALL ( 5628 calls) cegterg:last : 0.68s CPU 0.65s WALL ( 1095 calls) cdiaghg:chol : 1.01s CPU 1.03s WALL ( 6008 calls) cdiaghg:inve : 0.48s CPU 0.48s WALL ( 6008 calls) cdiaghg:para : 1.18s CPU 1.20s WALL ( 12016 calls) Called by h_psi: h_psi:vloc : 43.77s CPU 44.51s WALL ( 6428 calls) h_psi:vnl : 1.43s CPU 1.48s WALL ( 6428 calls) add_vuspsi : 0.62s CPU 0.63s WALL ( 6428 calls) General routines calbec : 0.78s CPU 0.83s WALL ( 6428 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 40.91s CPU 41.62s WALL ( 427960 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.08s CPU 0.12s WALL ( 760 calls) Parallel routines fft_scatter : 12.64s CPU 12.76s WALL ( 427983 calls) PWSCF : 1m20.28s CPU 1m53.26s WALL This run was terminated on: 17:11:40 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=