Program PWSCF v.5.4.0 starts on 20Mar2017 at 17:12:46 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 144 processor cores Number of MPI processes: 72 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 72 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Ca2AsI.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 35 23 6 886 481 74 Max 36 24 7 891 500 78 Sum 2563 1717 501 63907 35113 5505 bravais-lattice index = 14 lattice parameter (alat) = 14.8131 a.u. unit-cell volume = 835.4558 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 274.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.813067 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.843178 celldm(5)= 0.843178 celldm(6)= 0.843178 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.843178 0.537634 0.000000 ) a(3) = ( 0.843178 0.245946 0.478081 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.568311 -0.956865 ) b(2) = ( 0.000000 1.860000 -0.956865 ) b(3) = ( 0.000000 0.000000 2.091696 ) PseudoPot. # 1 for As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 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 1209 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 Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef 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 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for I read from file: /users/gautes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1247 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential As 5.00 74.92160 As( 1.00) Ca 10.00 40.07800 Ca( 1.00) I 7.00 126.90450 I( 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= 280 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 2) = ( 0.0119048 -0.0186704 -0.0113912), wk = 0.0035714 k( 3) = ( 0.0238095 -0.0373407 -0.0227825), wk = 0.0035714 k( 4) = ( 0.0357143 -0.0560111 -0.0341737), wk = 0.0035714 k( 5) = ( 0.0476191 -0.0746815 -0.0455650), wk = 0.0035714 k( 6) = ( 0.0595238 -0.0933519 -0.0569562), wk = 0.0035714 k( 7) = ( 0.0714286 -0.1120222 -0.0683475), wk = 0.0035714 k( 8) = ( 0.0833333 -0.1306926 -0.0797387), wk = 0.0035714 k( 9) = ( 0.0952381 -0.1493630 -0.0911300), wk = 0.0035714 k( 10) = ( 0.1071429 -0.1680334 -0.1025212), wk = 0.0035714 k( 11) = ( 0.1190476 -0.1867037 -0.1139125), wk = 0.0035714 k( 12) = ( 0.1309524 -0.2053741 -0.1253037), wk = 0.0035714 k( 13) = ( 0.1428571 -0.2240445 -0.1366949), wk = 0.0035714 k( 14) = ( 0.1547619 -0.2427148 -0.1480862), wk = 0.0035714 k( 15) = ( 0.1666667 -0.2613852 -0.1594774), wk = 0.0035714 k( 16) = ( 0.1785714 -0.2800556 -0.1708687), wk = 0.0035714 k( 17) = ( 0.1904762 -0.2987260 -0.1822599), wk = 0.0035714 k( 18) = ( 0.2023810 -0.3173963 -0.1936512), wk = 0.0035714 k( 19) = ( 0.2142857 -0.3360667 -0.2050424), wk = 0.0035714 k( 20) = ( 0.2261905 -0.3547371 -0.2164337), wk = 0.0035714 k( 21) = ( 0.2380952 -0.3734075 -0.2278249), wk = 0.0035714 k( 22) = ( 0.2500000 -0.3920778 -0.2392161), wk = 0.0035714 k( 23) = ( 0.2619048 -0.4107482 -0.2506074), wk = 0.0035714 k( 24) = ( 0.2738095 -0.4294186 -0.2619986), wk = 0.0035714 k( 25) = ( 0.2857143 -0.4480890 -0.2733899), wk = 0.0035714 k( 26) = ( 0.2976190 -0.4667593 -0.2847811), wk = 0.0035714 k( 27) = ( 0.3095238 -0.4854297 -0.2961724), wk = 0.0035714 k( 28) = ( 0.3214286 -0.5041001 -0.3075636), wk = 0.0035714 k( 29) = ( 0.3333333 -0.5227704 -0.3189549), wk = 0.0035714 k( 30) = ( 0.3452381 -0.5414408 -0.3303461), wk = 0.0035714 k( 31) = ( 0.3571429 -0.5601112 -0.3417374), wk = 0.0035714 k( 32) = ( 0.3690476 -0.5787816 -0.3531286), wk = 0.0035714 k( 33) = ( 0.3809524 -0.5974519 -0.3645198), wk = 0.0035714 k( 34) = ( 0.3928571 -0.6161223 -0.3759111), wk = 0.0035714 k( 35) = ( 0.4047619 -0.6347927 -0.3873023), wk = 0.0035714 k( 36) = ( 0.4166667 -0.6534631 -0.3986936), wk = 0.0035714 k( 37) = ( 0.4285714 -0.6721334 -0.4100848), wk = 0.0035714 k( 38) = ( 0.4404762 -0.6908038 -0.4214761), wk = 0.0035714 k( 39) = ( 0.4523810 -0.7094742 -0.4328673), wk = 0.0035714 k( 40) = ( 0.4642857 -0.7281445 -0.4442586), wk = 0.0035714 k( 41) = ( 0.4761905 -0.7468149 -0.4556498), wk = 0.0035714 k( 42) = ( 0.4880952 -0.7654853 -0.4670411), wk = 0.0035714 k( 43) = ( 0.5000000 -0.7841557 -0.4784323), wk = 0.0035714 k( 44) = ( 0.5000000 -0.7841557 -0.4784323), wk = 0.0035714 k( 45) = ( 0.5000000 -0.7713337 -0.4994477), wk = 0.0035714 k( 46) = ( 0.5000000 -0.7585117 -0.5204631), wk = 0.0035714 k( 47) = ( 0.5000000 -0.7456897 -0.5414785), wk = 0.0035714 k( 48) = ( 0.5000000 -0.7328677 -0.5624938), wk = 0.0035714 k( 49) = ( 0.5000000 -0.7200457 -0.5835092), wk = 0.0035714 k( 50) = ( 0.5000000 -0.7072237 -0.6045246), wk = 0.0035714 k( 51) = ( 0.5000000 -0.6944017 -0.6255400), wk = 0.0035714 k( 52) = ( 0.5000000 -0.6815797 -0.6465554), wk = 0.0035714 k( 53) = ( 0.5000000 -0.6687577 -0.6675708), wk = 0.0035714 k( 54) = ( 0.5000000 -0.6559357 -0.6885862), wk = 0.0035714 k( 55) = ( 0.5000000 -0.6431137 -0.7096016), wk = 0.0035714 k( 56) = ( 0.5000000 -0.6302917 -0.7306170), wk = 0.0035714 k( 57) = ( 0.5000000 -0.6174697 -0.7516323), wk = 0.0035714 k( 58) = ( 0.5000000 -0.6046477 -0.7726477), wk = 0.0035714 k( 59) = ( 0.5000000 -0.5918257 -0.7936631), wk = 0.0035714 k( 60) = ( 0.5000000 -0.5790037 -0.8146785), wk = 0.0035714 k( 61) = ( 0.5000000 -0.5661818 -0.8356939), wk = 0.0035714 k( 62) = ( 0.5000000 -0.5533597 -0.8567093), wk = 0.0035714 k( 63) = ( 0.5000000 -0.5405378 -0.8777247), wk = 0.0035714 k( 64) = ( 0.5000000 -0.5277158 -0.8987401), wk = 0.0035714 k( 65) = ( 0.5000000 -0.5148938 -0.9197555), wk = 0.0035714 k( 66) = ( 0.5000000 -0.5020718 -0.9407708), wk = 0.0035714 k( 67) = ( 0.5000000 -0.4892498 -0.9617862), wk = 0.0035714 k( 68) = ( 0.5000000 -0.4764278 -0.9828016), wk = 0.0035714 k( 69) = ( 0.5000000 -0.4636058 -1.0038170), wk = 0.0035714 k( 70) = ( 0.5000000 -0.4507838 -1.0248324), wk = 0.0035714 k( 71) = ( 0.5000000 -0.4379618 -1.0458478), wk = 0.0035714 k( 72) = ( 0.8138743 -0.3464082 -0.8678814), wk = 0.0035714 k( 73) = ( 0.8068993 -0.3354692 -0.8466178), wk = 0.0035714 k( 74) = ( 0.7999243 -0.3245303 -0.8253541), wk = 0.0035714 k( 75) = ( 0.7929493 -0.3135913 -0.8040904), wk = 0.0035714 k( 76) = ( 0.7859743 -0.3026524 -0.7828268), wk = 0.0035714 k( 77) = ( 0.7789993 -0.2917135 -0.7615631), wk = 0.0035714 k( 78) = ( 0.7720244 -0.2807745 -0.7402995), wk = 0.0035714 k( 79) = ( 0.7650494 -0.2698356 -0.7190358), wk = 0.0035714 k( 80) = ( 0.7580744 -0.2588966 -0.6977722), wk = 0.0035714 k( 81) = ( 0.7510994 -0.2479577 -0.6765085), wk = 0.0035714 k( 82) = ( 0.7441244 -0.2370187 -0.6552448), wk = 0.0035714 k( 83) = ( 0.7371494 -0.2260798 -0.6339812), wk = 0.0035714 k( 84) = ( 0.7301745 -0.2151408 -0.6127175), wk = 0.0035714 k( 85) = ( 0.7231995 -0.2042019 -0.5914539), wk = 0.0035714 k( 86) = ( 0.7162245 -0.1932629 -0.5701902), wk = 0.0035714 k( 87) = ( 0.7092495 -0.1823240 -0.5489265), wk = 0.0035714 k( 88) = ( 0.7022745 -0.1713850 -0.5276629), wk = 0.0035714 k( 89) = ( 0.6952995 -0.1604461 -0.5063992), wk = 0.0035714 k( 90) = ( 0.6883246 -0.1495072 -0.4851356), wk = 0.0035714 k( 91) = ( 0.6813496 -0.1385682 -0.4638719), wk = 0.0035714 k( 92) = ( 0.6743746 -0.1276293 -0.4426083), wk = 0.0035714 k( 93) = ( 0.6673996 -0.1166903 -0.4213446), wk = 0.0035714 k( 94) = ( 0.6604246 -0.1057514 -0.4000810), wk = 0.0035714 k( 95) = ( 0.6534496 -0.0948124 -0.3788173), wk = 0.0035714 k( 96) = ( 0.6464747 -0.0838735 -0.3575536), wk = 0.0035714 k( 97) = ( 0.6394997 -0.0729345 -0.3362900), wk = 0.0035714 k( 98) = ( 0.6325247 -0.0619956 -0.3150263), wk = 0.0035714 k( 99) = ( 0.6255497 -0.0510566 -0.2937627), wk = 0.0035714 k( 100) = ( 0.6185747 -0.0401177 -0.2724990), wk = 0.0035714 k( 101) = ( 0.6115997 -0.0291787 -0.2512353), wk = 0.0035714 k( 102) = ( 0.6046248 -0.0182398 -0.2299717), wk = 0.0035714 k( 103) = ( 0.5976498 -0.0073008 -0.2087080), wk = 0.0035714 k( 104) = ( 0.5906748 0.0036381 -0.1874444), wk = 0.0035714 k( 105) = ( 0.5836998 0.0145770 -0.1661807), wk = 0.0035714 k( 106) = ( 0.5767248 0.0255160 -0.1449170), wk = 0.0035714 k( 107) = ( 0.5697498 0.0364549 -0.1236534), wk = 0.0035714 k( 108) = ( 0.5627749 0.0473939 -0.1023897), wk = 0.0035714 k( 109) = ( 0.5557999 0.0583328 -0.0811261), wk = 0.0035714 k( 110) = ( 0.5488249 0.0692718 -0.0598624), wk = 0.0035714 k( 111) = ( 0.5418499 0.0802107 -0.0385988), wk = 0.0035714 k( 112) = ( 0.5348749 0.0911497 -0.0173351), wk = 0.0035714 k( 113) = ( 0.5278999 0.1020886 0.0039285), wk = 0.0035714 k( 114) = ( 0.5209250 0.1130276 0.0251922), wk = 0.0035714 k( 115) = ( 0.5139500 0.1239665 0.0464559), wk = 0.0035714 k( 116) = ( 0.5069750 0.1349055 0.0677195), wk = 0.0035714 k( 117) = ( 0.5000000 0.1458444 0.0889832), wk = 0.0035714 k( 118) = ( 0.5000000 0.1458444 0.0889832), wk = 0.0035714 k( 119) = ( 0.4772727 0.1392151 0.0849385), wk = 0.0035714 k( 120) = ( 0.4545455 0.1325858 0.0808938), wk = 0.0035714 k( 121) = ( 0.4318182 0.1259565 0.0768491), wk = 0.0035714 k( 122) = ( 0.4090909 0.1193272 0.0728044), wk = 0.0035714 k( 123) = ( 0.3863636 0.1126979 0.0687597), wk = 0.0035714 k( 124) = ( 0.3636364 0.1060686 0.0647150), wk = 0.0035714 k( 125) = ( 0.3409091 0.0994394 0.0606704), wk = 0.0035714 k( 126) = ( 0.3181818 0.0928101 0.0566257), wk = 0.0035714 k( 127) = ( 0.2954545 0.0861808 0.0525810), wk = 0.0035714 k( 128) = ( 0.2727273 0.0795515 0.0485363), wk = 0.0035714 k( 129) = ( 0.2500000 0.0729222 0.0444916), wk = 0.0035714 k( 130) = ( 0.2272727 0.0662929 0.0404469), wk = 0.0035714 k( 131) = ( 0.2045454 0.0596636 0.0364022), wk = 0.0035714 k( 132) = ( 0.1818182 0.0530343 0.0323575), wk = 0.0035714 k( 133) = ( 0.1590909 0.0464050 0.0283128), wk = 0.0035714 k( 134) = ( 0.1363636 0.0397757 0.0242681), wk = 0.0035714 k( 135) = ( 0.1136364 0.0331465 0.0202235), wk = 0.0035714 k( 136) = ( 0.0909091 0.0265172 0.0161788), wk = 0.0035714 k( 137) = ( 0.0681818 0.0198879 0.0121341), wk = 0.0035714 k( 138) = ( 0.0454546 0.0132586 0.0080894), wk = 0.0035714 k( 139) = ( 0.0227273 0.0066293 0.0040447), wk = 0.0035714 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 142) = ( 0.0068613 -0.0107606 -0.0209170), wk = 0.0035714 k( 143) = ( 0.0137225 -0.0215212 -0.0418339), wk = 0.0035714 k( 144) = ( 0.0205838 -0.0322818 -0.0627509), wk = 0.0035714 k( 145) = ( 0.0274450 -0.0430424 -0.0836678), wk = 0.0035714 k( 146) = ( 0.0343063 -0.0538029 -0.1045848), wk = 0.0035714 k( 147) = ( 0.0411675 -0.0645635 -0.1255017), wk = 0.0035714 k( 148) = ( 0.0480288 -0.0753241 -0.1464187), wk = 0.0035714 k( 149) = ( 0.0548901 -0.0860847 -0.1673356), wk = 0.0035714 k( 150) = ( 0.0617513 -0.0968453 -0.1882526), wk = 0.0035714 k( 151) = ( 0.0686126 -0.1076059 -0.2091695), wk = 0.0035714 k( 152) = ( 0.0754738 -0.1183665 -0.2300865), wk = 0.0035714 k( 153) = ( 0.0823351 -0.1291271 -0.2510035), wk = 0.0035714 k( 154) = ( 0.0891963 -0.1398876 -0.2719204), wk = 0.0035714 k( 155) = ( 0.0960576 -0.1506482 -0.2928374), wk = 0.0035714 k( 156) = ( 0.1029189 -0.1614088 -0.3137543), wk = 0.0035714 k( 157) = ( 0.1097801 -0.1721694 -0.3346713), wk = 0.0035714 k( 158) = ( 0.1166414 -0.1829300 -0.3555882), wk = 0.0035714 k( 159) = ( 0.1235026 -0.1936906 -0.3765052), wk = 0.0035714 k( 160) = ( 0.1303639 -0.2044512 -0.3974222), wk = 0.0035714 k( 161) = ( 0.1372251 -0.2152118 -0.4183391), wk = 0.0035714 k( 162) = ( 0.1440864 -0.2259723 -0.4392561), wk = 0.0035714 k( 163) = ( 0.1509477 -0.2367329 -0.4601730), wk = 0.0035714 k( 164) = ( 0.1578089 -0.2474935 -0.4810900), wk = 0.0035714 k( 165) = ( 0.1646702 -0.2582541 -0.5020069), wk = 0.0035714 k( 166) = ( 0.1715314 -0.2690147 -0.5229239), wk = 0.0035714 k( 167) = ( 0.1783927 -0.2797753 -0.5438408), wk = 0.0035714 k( 168) = ( 0.1852540 -0.2905359 -0.5647578), wk = 0.0035714 k( 169) = ( 0.1921152 -0.3012964 -0.5856747), wk = 0.0035714 k( 170) = ( 0.1989765 -0.3120570 -0.6065917), wk = 0.0035714 k( 171) = ( 0.2058377 -0.3228176 -0.6275087), wk = 0.0035714 k( 172) = ( 0.2126990 -0.3335782 -0.6484256), wk = 0.0035714 k( 173) = ( 0.2195602 -0.3443388 -0.6693426), wk = 0.0035714 k( 174) = ( 0.2264215 -0.3550994 -0.6902595), wk = 0.0035714 k( 175) = ( 0.2332828 -0.3658600 -0.7111765), wk = 0.0035714 k( 176) = ( 0.2401440 -0.3766206 -0.7320935), wk = 0.0035714 k( 177) = ( 0.2470053 -0.3873812 -0.7530104), wk = 0.0035714 k( 178) = ( 0.2538665 -0.3981417 -0.7739274), wk = 0.0035714 k( 179) = ( 0.2607278 -0.4089023 -0.7948443), wk = 0.0035714 k( 180) = ( 0.2675890 -0.4196629 -0.8157613), wk = 0.0035714 k( 181) = ( 0.2744503 -0.4304235 -0.8366782), wk = 0.0035714 k( 182) = ( 0.2813116 -0.4411841 -0.8575952), wk = 0.0035714 k( 183) = ( 0.2881728 -0.4519447 -0.8785121), wk = 0.0035714 k( 184) = ( 0.2950341 -0.4627053 -0.8994291), wk = 0.0035714 k( 185) = ( 0.3018953 -0.4734659 -0.9203460), wk = 0.0035714 k( 186) = ( 0.3087566 -0.4842264 -0.9412630), wk = 0.0035714 k( 187) = ( 0.3156178 -0.4949870 -0.9621800), wk = 0.0035714 k( 188) = ( 0.3224791 -0.5057476 -0.9830969), wk = 0.0035714 k( 189) = ( 0.3293404 -0.5165082 -1.0040139), wk = 0.0035714 k( 190) = ( 0.3362016 -0.5272688 -1.0249308), wk = 0.0035714 k( 191) = ( 0.3430629 -0.5380294 -1.0458478), wk = 0.0035714 k( 192) = ( 0.6569371 -0.3921850 -0.9568646), wk = 0.0035714 k( 193) = ( 0.6501138 -0.3687924 -0.9568646), wk = 0.0035714 k( 194) = ( 0.6432904 -0.3453998 -0.9568646), wk = 0.0035714 k( 195) = ( 0.6364671 -0.3220072 -0.9568646), wk = 0.0035714 k( 196) = ( 0.6296437 -0.2986147 -0.9568646), wk = 0.0035714 k( 197) = ( 0.6228204 -0.2752221 -0.9568646), wk = 0.0035714 k( 198) = ( 0.6159970 -0.2518295 -0.9568646), wk = 0.0035714 k( 199) = ( 0.6091737 -0.2284369 -0.9568646), wk = 0.0035714 k( 200) = ( 0.6023503 -0.2050443 -0.9568646), wk = 0.0035714 k( 201) = ( 0.5955269 -0.1816517 -0.9568646), wk = 0.0035714 k( 202) = ( 0.5887036 -0.1582592 -0.9568646), wk = 0.0035714 k( 203) = ( 0.5818802 -0.1348666 -0.9568646), wk = 0.0035714 k( 204) = ( 0.5750569 -0.1114740 -0.9568646), wk = 0.0035714 k( 205) = ( 0.5682335 -0.0880814 -0.9568646), wk = 0.0035714 k( 206) = ( 0.5614102 -0.0646888 -0.9568646), wk = 0.0035714 k( 207) = ( 0.5545868 -0.0412963 -0.9568646), wk = 0.0035714 k( 208) = ( 0.5477635 -0.0179037 -0.9568646), wk = 0.0035714 k( 209) = ( 0.5409401 0.0054889 -0.9568646), wk = 0.0035714 k( 210) = ( 0.5341168 0.0288815 -0.9568646), wk = 0.0035714 k( 211) = ( 0.5272934 0.0522741 -0.9568646), wk = 0.0035714 k( 212) = ( 0.5204701 0.0756667 -0.9568646), wk = 0.0035714 k( 213) = ( 0.5136467 0.0990592 -0.9568646), wk = 0.0035714 k( 214) = ( 0.5068234 0.1224518 -0.9568646), wk = 0.0035714 k( 215) = ( 0.5000000 0.1458444 -0.9568646), wk = 0.0035714 k( 216) = ( 0.5000000 0.1458444 -0.9568646), wk = 0.0035714 k( 217) = ( 0.5196171 0.1515665 -0.9457417), wk = 0.0035714 k( 218) = ( 0.5392343 0.1572886 -0.9346188), wk = 0.0035714 k( 219) = ( 0.5588514 0.1630107 -0.9234959), wk = 0.0035714 k( 220) = ( 0.5784686 0.1687328 -0.9123730), wk = 0.0035714 k( 221) = ( 0.5980857 0.1744549 -0.9012501), wk = 0.0035714 k( 222) = ( 0.6177029 0.1801770 -0.8901272), wk = 0.0035714 k( 223) = ( 0.6373200 0.1858991 -0.8790043), wk = 0.0035714 k( 224) = ( 0.6569371 0.1916212 -0.8678814), wk = 0.0035714 k( 225) = ( 0.6569371 0.1916212 -0.8678814), wk = 0.0035714 k( 226) = ( 0.6529131 0.1904474 -0.8433464), wk = 0.0035714 k( 227) = ( 0.6488891 0.1892737 -0.8188114), wk = 0.0035714 k( 228) = ( 0.6448651 0.1880999 -0.7942765), wk = 0.0035714 k( 229) = ( 0.6408410 0.1869261 -0.7697415), wk = 0.0035714 k( 230) = ( 0.6368170 0.1857524 -0.7452065), wk = 0.0035714 k( 231) = ( 0.6327930 0.1845786 -0.7206715), wk = 0.0035714 k( 232) = ( 0.6287689 0.1834048 -0.6961365), wk = 0.0035714 k( 233) = ( 0.6247449 0.1822311 -0.6716015), wk = 0.0035714 k( 234) = ( 0.6207209 0.1810573 -0.6470665), wk = 0.0035714 k( 235) = ( 0.6166968 0.1798836 -0.6225315), wk = 0.0035714 k( 236) = ( 0.6126728 0.1787098 -0.5979965), wk = 0.0035714 k( 237) = ( 0.6086488 0.1775360 -0.5734615), wk = 0.0035714 k( 238) = ( 0.6046248 0.1763623 -0.5489265), wk = 0.0035714 k( 239) = ( 0.6006007 0.1751885 -0.5243916), wk = 0.0035714 k( 240) = ( 0.5965767 0.1740147 -0.4998566), wk = 0.0035714 k( 241) = ( 0.5925527 0.1728410 -0.4753216), wk = 0.0035714 k( 242) = ( 0.5885286 0.1716672 -0.4507866), wk = 0.0035714 k( 243) = ( 0.5845046 0.1704934 -0.4262516), wk = 0.0035714 k( 244) = ( 0.5804806 0.1693197 -0.4017166), wk = 0.0035714 k( 245) = ( 0.5764565 0.1681459 -0.3771816), wk = 0.0035714 k( 246) = ( 0.5724325 0.1669721 -0.3526466), wk = 0.0035714 k( 247) = ( 0.5684085 0.1657984 -0.3281116), wk = 0.0035714 k( 248) = ( 0.5643845 0.1646246 -0.3035767), wk = 0.0035714 k( 249) = ( 0.5603604 0.1634509 -0.2790417), wk = 0.0035714 k( 250) = ( 0.5563364 0.1622771 -0.2545067), wk = 0.0035714 k( 251) = ( 0.5523124 0.1611033 -0.2299717), wk = 0.0035714 k( 252) = ( 0.5482883 0.1599296 -0.2054367), wk = 0.0035714 k( 253) = ( 0.5442643 0.1587558 -0.1809017), wk = 0.0035714 k( 254) = ( 0.5402403 0.1575820 -0.1563667), wk = 0.0035714 k( 255) = ( 0.5362163 0.1564083 -0.1318317), wk = 0.0035714 k( 256) = ( 0.5321922 0.1552345 -0.1072967), wk = 0.0035714 k( 257) = ( 0.5281682 0.1540607 -0.0827617), wk = 0.0035714 k( 258) = ( 0.5241442 0.1528870 -0.0582267), wk = 0.0035714 k( 259) = ( 0.5201202 0.1517132 -0.0336918), wk = 0.0035714 k( 260) = ( 0.5160961 0.1505394 -0.0091568), wk = 0.0035714 k( 261) = ( 0.5120721 0.1493657 0.0153782), wk = 0.0035714 k( 262) = ( 0.5080481 0.1481919 0.0399132), wk = 0.0035714 k( 263) = ( 0.5040240 0.1470182 0.0644482), wk = 0.0035714 k( 264) = ( 0.5000000 0.1458444 0.0889832), wk = 0.0035714 k( 265) = ( 0.5000000 -0.7841557 -0.4784323), wk = 0.0035714 k( 266) = ( 0.5209250 -0.7744327 -0.4725001), wk = 0.0035714 k( 267) = ( 0.5418499 -0.7647097 -0.4665679), wk = 0.0035714 k( 268) = ( 0.5627749 -0.7549868 -0.4606357), wk = 0.0035714 k( 269) = ( 0.5836998 -0.7452638 -0.4547035), wk = 0.0035714 k( 270) = ( 0.6046248 -0.7355409 -0.4487712), wk = 0.0035714 k( 271) = ( 0.6255497 -0.7258179 -0.4428390), wk = 0.0035714 k( 272) = ( 0.6464747 -0.7160950 -0.4369068), wk = 0.0035714 k( 273) = ( 0.6673996 -0.7063720 -0.4309746), wk = 0.0035714 k( 274) = ( 0.6883246 -0.6966490 -0.4250424), wk = 0.0035714 k( 275) = ( 0.7092495 -0.6869261 -0.4191102), wk = 0.0035714 k( 276) = ( 0.7301745 -0.6772031 -0.4131780), wk = 0.0035714 k( 277) = ( 0.7510994 -0.6674802 -0.4072458), wk = 0.0035714 k( 278) = ( 0.7720244 -0.6577572 -0.4013135), wk = 0.0035714 k( 279) = ( 0.7929493 -0.6480342 -0.3953813), wk = 0.0035714 k( 280) = ( 0.8138743 -0.6383113 -0.3894491), wk = 0.0035714 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 2) = ( 0.0119048 0.0000000 -0.0000000), wk = 0.0035714 k( 3) = ( 0.0238095 0.0000000 -0.0000000), wk = 0.0035714 k( 4) = ( 0.0357143 0.0000000 -0.0000000), wk = 0.0035714 k( 5) = ( 0.0476191 -0.0000000 -0.0000000), wk = 0.0035714 k( 6) = ( 0.0595238 0.0000000 0.0000000), wk = 0.0035714 k( 7) = ( 0.0714286 -0.0000000 -0.0000000), wk = 0.0035714 k( 8) = ( 0.0833333 0.0000000 -0.0000000), wk = 0.0035714 k( 9) = ( 0.0952381 -0.0000000 -0.0000000), wk = 0.0035714 k( 10) = ( 0.1071429 0.0000000 -0.0000000), wk = 0.0035714 k( 11) = ( 0.1190476 0.0000000 0.0000000), wk = 0.0035714 k( 12) = ( 0.1309524 0.0000000 -0.0000000), wk = 0.0035714 k( 13) = ( 0.1428571 -0.0000000 -0.0000000), wk = 0.0035714 k( 14) = ( 0.1547619 -0.0000000 -0.0000000), wk = 0.0035714 k( 15) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0035714 k( 16) = ( 0.1785714 0.0000000 0.0000000), wk = 0.0035714 k( 17) = ( 0.1904762 -0.0000000 -0.0000000), wk = 0.0035714 k( 18) = ( 0.2023810 0.0000000 -0.0000000), wk = 0.0035714 k( 19) = ( 0.2142857 0.0000000 -0.0000000), wk = 0.0035714 k( 20) = ( 0.2261905 -0.0000000 -0.0000000), wk = 0.0035714 k( 21) = ( 0.2380952 0.0000000 0.0000000), wk = 0.0035714 k( 22) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0035714 k( 23) = ( 0.2619048 0.0000000 -0.0000000), wk = 0.0035714 k( 24) = ( 0.2738095 0.0000000 0.0000000), wk = 0.0035714 k( 25) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0035714 k( 26) = ( 0.2976190 -0.0000000 -0.0000000), wk = 0.0035714 k( 27) = ( 0.3095238 0.0000000 -0.0000000), wk = 0.0035714 k( 28) = ( 0.3214286 0.0000000 -0.0000000), wk = 0.0035714 k( 29) = ( 0.3333333 0.0000000 -0.0000000), wk = 0.0035714 k( 30) = ( 0.3452381 0.0000000 -0.0000000), wk = 0.0035714 k( 31) = ( 0.3571429 0.0000000 0.0000000), wk = 0.0035714 k( 32) = ( 0.3690476 -0.0000000 -0.0000000), wk = 0.0035714 k( 33) = ( 0.3809524 -0.0000000 -0.0000000), wk = 0.0035714 k( 34) = ( 0.3928571 0.0000000 -0.0000000), wk = 0.0035714 k( 35) = ( 0.4047619 0.0000000 -0.0000000), wk = 0.0035714 k( 36) = ( 0.4166667 0.0000000 -0.0000000), wk = 0.0035714 k( 37) = ( 0.4285714 0.0000000 -0.0000000), wk = 0.0035714 k( 38) = ( 0.4404762 0.0000000 -0.0000000), wk = 0.0035714 k( 39) = ( 0.4523810 -0.0000000 -0.0000000), wk = 0.0035714 k( 40) = ( 0.4642857 0.0000000 -0.0000000), wk = 0.0035714 k( 41) = ( 0.4761905 0.0000000 0.0000000), wk = 0.0035714 k( 42) = ( 0.4880952 0.0000000 0.0000000), wk = 0.0035714 k( 43) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0035714 k( 44) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0035714 k( 45) = ( 0.5000000 0.0068936 -0.0068936), wk = 0.0035714 k( 46) = ( 0.5000000 0.0137871 -0.0137871), wk = 0.0035714 k( 47) = ( 0.5000000 0.0206806 -0.0206806), wk = 0.0035714 k( 48) = ( 0.5000000 0.0275742 -0.0275742), wk = 0.0035714 k( 49) = ( 0.5000000 0.0344677 -0.0344677), wk = 0.0035714 k( 50) = ( 0.5000000 0.0413613 -0.0413613), wk = 0.0035714 k( 51) = ( 0.5000000 0.0482548 -0.0482548), wk = 0.0035714 k( 52) = ( 0.5000000 0.0551484 -0.0551484), wk = 0.0035714 k( 53) = ( 0.5000000 0.0620419 -0.0620419), wk = 0.0035714 k( 54) = ( 0.5000000 0.0689355 -0.0689355), wk = 0.0035714 k( 55) = ( 0.5000000 0.0758290 -0.0758290), wk = 0.0035714 k( 56) = ( 0.5000000 0.0827226 -0.0827226), wk = 0.0035714 k( 57) = ( 0.5000000 0.0896161 -0.0896161), wk = 0.0035714 k( 58) = ( 0.5000000 0.0965096 -0.0965096), wk = 0.0035714 k( 59) = ( 0.5000000 0.1034032 -0.1034032), wk = 0.0035714 k( 60) = ( 0.5000000 0.1102967 -0.1102967), wk = 0.0035714 k( 61) = ( 0.5000000 0.1171903 -0.1171903), wk = 0.0035714 k( 62) = ( 0.5000000 0.1240838 -0.1240838), wk = 0.0035714 k( 63) = ( 0.5000000 0.1309774 -0.1309774), wk = 0.0035714 k( 64) = ( 0.5000000 0.1378709 -0.1378709), wk = 0.0035714 k( 65) = ( 0.5000000 0.1447645 -0.1447645), wk = 0.0035714 k( 66) = ( 0.5000000 0.1516580 -0.1516580), wk = 0.0035714 k( 67) = ( 0.5000000 0.1585516 -0.1585516), wk = 0.0035714 k( 68) = ( 0.5000000 0.1654451 -0.1654451), wk = 0.0035714 k( 69) = ( 0.5000000 0.1723386 -0.1723386), wk = 0.0035714 k( 70) = ( 0.5000000 0.1792322 -0.1792322), wk = 0.0035714 k( 71) = ( 0.5000000 0.1861257 -0.1861257), wk = 0.0035714 k( 72) = ( 0.8138743 0.5000000 0.1861257), wk = 0.0035714 k( 73) = ( 0.8068993 0.5000000 0.1931007), wk = 0.0035714 k( 74) = ( 0.7999243 0.5000000 0.2000757), wk = 0.0035714 k( 75) = ( 0.7929493 0.5000000 0.2070507), wk = 0.0035714 k( 76) = ( 0.7859743 0.5000000 0.2140257), wk = 0.0035714 k( 77) = ( 0.7789993 0.5000000 0.2210006), wk = 0.0035714 k( 78) = ( 0.7720244 0.5000000 0.2279756), wk = 0.0035714 k( 79) = ( 0.7650494 0.5000000 0.2349506), wk = 0.0035714 k( 80) = ( 0.7580744 0.5000000 0.2419256), wk = 0.0035714 k( 81) = ( 0.7510994 0.5000000 0.2489006), wk = 0.0035714 k( 82) = ( 0.7441244 0.5000000 0.2558756), wk = 0.0035714 k( 83) = ( 0.7371494 0.5000000 0.2628505), wk = 0.0035714 k( 84) = ( 0.7301745 0.5000000 0.2698255), wk = 0.0035714 k( 85) = ( 0.7231995 0.5000000 0.2768005), wk = 0.0035714 k( 86) = ( 0.7162245 0.5000000 0.2837755), wk = 0.0035714 k( 87) = ( 0.7092495 0.5000000 0.2907505), wk = 0.0035714 k( 88) = ( 0.7022745 0.5000000 0.2977255), wk = 0.0035714 k( 89) = ( 0.6952995 0.5000000 0.3047004), wk = 0.0035714 k( 90) = ( 0.6883246 0.5000000 0.3116754), wk = 0.0035714 k( 91) = ( 0.6813496 0.5000000 0.3186504), wk = 0.0035714 k( 92) = ( 0.6743746 0.5000000 0.3256254), wk = 0.0035714 k( 93) = ( 0.6673996 0.5000000 0.3326004), wk = 0.0035714 k( 94) = ( 0.6604246 0.5000000 0.3395754), wk = 0.0035714 k( 95) = ( 0.6534496 0.5000000 0.3465504), wk = 0.0035714 k( 96) = ( 0.6464747 0.5000000 0.3535253), wk = 0.0035714 k( 97) = ( 0.6394997 0.5000000 0.3605003), wk = 0.0035714 k( 98) = ( 0.6325247 0.5000000 0.3674753), wk = 0.0035714 k( 99) = ( 0.6255497 0.5000000 0.3744503), wk = 0.0035714 k( 100) = ( 0.6185747 0.5000000 0.3814253), wk = 0.0035714 k( 101) = ( 0.6115997 0.5000000 0.3884003), wk = 0.0035714 k( 102) = ( 0.6046248 0.5000000 0.3953752), wk = 0.0035714 k( 103) = ( 0.5976498 0.5000000 0.4023502), wk = 0.0035714 k( 104) = ( 0.5906748 0.5000000 0.4093252), wk = 0.0035714 k( 105) = ( 0.5836998 0.5000000 0.4163002), wk = 0.0035714 k( 106) = ( 0.5767248 0.5000000 0.4232752), wk = 0.0035714 k( 107) = ( 0.5697498 0.5000000 0.4302502), wk = 0.0035714 k( 108) = ( 0.5627749 0.5000000 0.4372252), wk = 0.0035714 k( 109) = ( 0.5557999 0.5000000 0.4442001), wk = 0.0035714 k( 110) = ( 0.5488249 0.5000000 0.4511751), wk = 0.0035714 k( 111) = ( 0.5418499 0.5000000 0.4581501), wk = 0.0035714 k( 112) = ( 0.5348749 0.5000000 0.4651251), wk = 0.0035714 k( 113) = ( 0.5278999 0.5000000 0.4721001), wk = 0.0035714 k( 114) = ( 0.5209250 0.5000000 0.4790750), wk = 0.0035714 k( 115) = ( 0.5139500 0.5000000 0.4860500), wk = 0.0035714 k( 116) = ( 0.5069750 0.5000000 0.4930250), wk = 0.0035714 k( 117) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035714 k( 118) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035714 k( 119) = ( 0.4772727 0.4772727 0.4772727), wk = 0.0035714 k( 120) = ( 0.4545455 0.4545455 0.4545454), wk = 0.0035714 k( 121) = ( 0.4318182 0.4318182 0.4318182), wk = 0.0035714 k( 122) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0035714 k( 123) = ( 0.3863636 0.3863636 0.3863636), wk = 0.0035714 k( 124) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0035714 k( 125) = ( 0.3409091 0.3409091 0.3409091), wk = 0.0035714 k( 126) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0035714 k( 127) = ( 0.2954545 0.2954545 0.2954545), wk = 0.0035714 k( 128) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0035714 k( 129) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035714 k( 130) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0035714 k( 131) = ( 0.2045454 0.2045454 0.2045454), wk = 0.0035714 k( 132) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0035714 k( 133) = ( 0.1590909 0.1590909 0.1590909), wk = 0.0035714 k( 134) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0035714 k( 135) = ( 0.1136364 0.1136364 0.1136364), wk = 0.0035714 k( 136) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0035714 k( 137) = ( 0.0681818 0.0681818 0.0681818), wk = 0.0035714 k( 138) = ( 0.0454546 0.0454546 0.0454546), wk = 0.0035714 k( 139) = ( 0.0227273 0.0227273 0.0227273), wk = 0.0035714 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 141) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 142) = ( 0.0068613 -0.0000000 -0.0068613), wk = 0.0035714 k( 143) = ( 0.0137225 0.0000000 -0.0137225), wk = 0.0035714 k( 144) = ( 0.0205838 -0.0000000 -0.0205838), wk = 0.0035714 k( 145) = ( 0.0274450 -0.0000000 -0.0274450), wk = 0.0035714 k( 146) = ( 0.0343063 -0.0000000 -0.0343063), wk = 0.0035714 k( 147) = ( 0.0411675 -0.0000000 -0.0411675), wk = 0.0035714 k( 148) = ( 0.0480288 -0.0000000 -0.0480288), wk = 0.0035714 k( 149) = ( 0.0548901 -0.0000000 -0.0548901), wk = 0.0035714 k( 150) = ( 0.0617513 0.0000000 -0.0617513), wk = 0.0035714 k( 151) = ( 0.0686126 0.0000000 -0.0686126), wk = 0.0035714 k( 152) = ( 0.0754738 0.0000000 -0.0754738), wk = 0.0035714 k( 153) = ( 0.0823351 0.0000000 -0.0823351), wk = 0.0035714 k( 154) = ( 0.0891963 -0.0000000 -0.0891963), wk = 0.0035714 k( 155) = ( 0.0960576 -0.0000000 -0.0960576), wk = 0.0035714 k( 156) = ( 0.1029189 -0.0000000 -0.1029189), wk = 0.0035714 k( 157) = ( 0.1097801 -0.0000000 -0.1097801), wk = 0.0035714 k( 158) = ( 0.1166414 0.0000000 -0.1166414), wk = 0.0035714 k( 159) = ( 0.1235026 0.0000000 -0.1235026), wk = 0.0035714 k( 160) = ( 0.1303639 0.0000000 -0.1303639), wk = 0.0035714 k( 161) = ( 0.1372251 0.0000000 -0.1372251), wk = 0.0035714 k( 162) = ( 0.1440864 0.0000000 -0.1440864), wk = 0.0035714 k( 163) = ( 0.1509477 0.0000000 -0.1509477), wk = 0.0035714 k( 164) = ( 0.1578089 -0.0000000 -0.1578089), wk = 0.0035714 k( 165) = ( 0.1646702 0.0000000 -0.1646702), wk = 0.0035714 k( 166) = ( 0.1715314 0.0000000 -0.1715314), wk = 0.0035714 k( 167) = ( 0.1783927 0.0000000 -0.1783927), wk = 0.0035714 k( 168) = ( 0.1852540 0.0000000 -0.1852539), wk = 0.0035714 k( 169) = ( 0.1921152 -0.0000000 -0.1921152), wk = 0.0035714 k( 170) = ( 0.1989765 0.0000000 -0.1989765), wk = 0.0035714 k( 171) = ( 0.2058377 -0.0000000 -0.2058377), wk = 0.0035714 k( 172) = ( 0.2126990 -0.0000000 -0.2126990), wk = 0.0035714 k( 173) = ( 0.2195602 0.0000000 -0.2195602), wk = 0.0035714 k( 174) = ( 0.2264215 0.0000000 -0.2264215), wk = 0.0035714 k( 175) = ( 0.2332828 0.0000000 -0.2332828), wk = 0.0035714 k( 176) = ( 0.2401440 0.0000000 -0.2401440), wk = 0.0035714 k( 177) = ( 0.2470053 0.0000000 -0.2470053), wk = 0.0035714 k( 178) = ( 0.2538665 0.0000000 -0.2538665), wk = 0.0035714 k( 179) = ( 0.2607278 0.0000000 -0.2607278), wk = 0.0035714 k( 180) = ( 0.2675890 0.0000000 -0.2675890), wk = 0.0035714 k( 181) = ( 0.2744503 -0.0000000 -0.2744503), wk = 0.0035714 k( 182) = ( 0.2813116 -0.0000000 -0.2813116), wk = 0.0035714 k( 183) = ( 0.2881728 -0.0000000 -0.2881728), wk = 0.0035714 k( 184) = ( 0.2950341 -0.0000000 -0.2950341), wk = 0.0035714 k( 185) = ( 0.3018953 0.0000000 -0.3018953), wk = 0.0035714 k( 186) = ( 0.3087566 0.0000000 -0.3087566), wk = 0.0035714 k( 187) = ( 0.3156178 -0.0000000 -0.3156178), wk = 0.0035714 k( 188) = ( 0.3224791 0.0000000 -0.3224791), wk = 0.0035714 k( 189) = ( 0.3293404 -0.0000000 -0.3293404), wk = 0.0035714 k( 190) = ( 0.3362016 0.0000000 -0.3362016), wk = 0.0035714 k( 191) = ( 0.3430629 0.0000000 -0.3430629), wk = 0.0035714 k( 192) = ( 0.6569371 0.3430629 0.0000000), wk = 0.0035714 k( 193) = ( 0.6501138 0.3498862 -0.0000000), wk = 0.0035714 k( 194) = ( 0.6432904 0.3567096 0.0000000), wk = 0.0035714 k( 195) = ( 0.6364671 0.3635329 -0.0000000), wk = 0.0035714 k( 196) = ( 0.6296437 0.3703563 0.0000000), wk = 0.0035714 k( 197) = ( 0.6228204 0.3771796 -0.0000000), wk = 0.0035714 k( 198) = ( 0.6159970 0.3840030 0.0000000), wk = 0.0035714 k( 199) = ( 0.6091737 0.3908263 -0.0000000), wk = 0.0035714 k( 200) = ( 0.6023503 0.3976497 0.0000000), wk = 0.0035714 k( 201) = ( 0.5955269 0.4044731 0.0000000), wk = 0.0035714 k( 202) = ( 0.5887036 0.4112964 0.0000000), wk = 0.0035714 k( 203) = ( 0.5818802 0.4181198 -0.0000000), wk = 0.0035714 k( 204) = ( 0.5750569 0.4249431 -0.0000000), wk = 0.0035714 k( 205) = ( 0.5682335 0.4317665 -0.0000000), wk = 0.0035714 k( 206) = ( 0.5614102 0.4385898 0.0000000), wk = 0.0035714 k( 207) = ( 0.5545868 0.4454132 0.0000000), wk = 0.0035714 k( 208) = ( 0.5477635 0.4522365 -0.0000000), wk = 0.0035714 k( 209) = ( 0.5409401 0.4590599 0.0000000), wk = 0.0035714 k( 210) = ( 0.5341168 0.4658832 0.0000000), wk = 0.0035714 k( 211) = ( 0.5272934 0.4727066 -0.0000000), wk = 0.0035714 k( 212) = ( 0.5204701 0.4795299 -0.0000000), wk = 0.0035714 k( 213) = ( 0.5136467 0.4863533 -0.0000000), wk = 0.0035714 k( 214) = ( 0.5068234 0.4931767 0.0000000), wk = 0.0035714 k( 215) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035714 k( 216) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035714 k( 217) = ( 0.5196171 0.5196171 0.0232657), wk = 0.0035714 k( 218) = ( 0.5392343 0.5392343 0.0465314), wk = 0.0035714 k( 219) = ( 0.5588514 0.5588514 0.0697972), wk = 0.0035714 k( 220) = ( 0.5784686 0.5784686 0.0930629), wk = 0.0035714 k( 221) = ( 0.5980857 0.5980857 0.1163286), wk = 0.0035714 k( 222) = ( 0.6177029 0.6177029 0.1395943), wk = 0.0035714 k( 223) = ( 0.6373200 0.6373200 0.1628600), wk = 0.0035714 k( 224) = ( 0.6569371 0.6569371 0.1861257), wk = 0.0035714 k( 225) = ( 0.6569371 0.6569371 0.1861257), wk = 0.0035714 k( 226) = ( 0.6529131 0.6529131 0.1941738), wk = 0.0035714 k( 227) = ( 0.6488891 0.6488891 0.2022218), wk = 0.0035714 k( 228) = ( 0.6448651 0.6448651 0.2102699), wk = 0.0035714 k( 229) = ( 0.6408410 0.6408410 0.2183180), wk = 0.0035714 k( 230) = ( 0.6368170 0.6368170 0.2263660), wk = 0.0035714 k( 231) = ( 0.6327930 0.6327930 0.2344141), wk = 0.0035714 k( 232) = ( 0.6287689 0.6287689 0.2424621), wk = 0.0035714 k( 233) = ( 0.6247449 0.6247449 0.2505102), wk = 0.0035714 k( 234) = ( 0.6207209 0.6207209 0.2585582), wk = 0.0035714 k( 235) = ( 0.6166968 0.6166968 0.2666063), wk = 0.0035714 k( 236) = ( 0.6126728 0.6126728 0.2746544), wk = 0.0035714 k( 237) = ( 0.6086488 0.6086488 0.2827024), wk = 0.0035714 k( 238) = ( 0.6046248 0.6046248 0.2907505), wk = 0.0035714 k( 239) = ( 0.6006007 0.6006007 0.2987985), wk = 0.0035714 k( 240) = ( 0.5965767 0.5965767 0.3068466), wk = 0.0035714 k( 241) = ( 0.5925527 0.5925527 0.3148947), wk = 0.0035714 k( 242) = ( 0.5885286 0.5885286 0.3229427), wk = 0.0035714 k( 243) = ( 0.5845046 0.5845046 0.3309908), wk = 0.0035714 k( 244) = ( 0.5804806 0.5804806 0.3390388), wk = 0.0035714 k( 245) = ( 0.5764565 0.5764565 0.3470869), wk = 0.0035714 k( 246) = ( 0.5724325 0.5724325 0.3551350), wk = 0.0035714 k( 247) = ( 0.5684085 0.5684085 0.3631830), wk = 0.0035714 k( 248) = ( 0.5643845 0.5643845 0.3712311), wk = 0.0035714 k( 249) = ( 0.5603604 0.5603604 0.3792791), wk = 0.0035714 k( 250) = ( 0.5563364 0.5563364 0.3873272), wk = 0.0035714 k( 251) = ( 0.5523124 0.5523124 0.3953752), wk = 0.0035714 k( 252) = ( 0.5482883 0.5482883 0.4034233), wk = 0.0035714 k( 253) = ( 0.5442643 0.5442643 0.4114714), wk = 0.0035714 k( 254) = ( 0.5402403 0.5402403 0.4195194), wk = 0.0035714 k( 255) = ( 0.5362163 0.5362163 0.4275675), wk = 0.0035714 k( 256) = ( 0.5321922 0.5321922 0.4356155), wk = 0.0035714 k( 257) = ( 0.5281682 0.5281682 0.4436636), wk = 0.0035714 k( 258) = ( 0.5241442 0.5241442 0.4517116), wk = 0.0035714 k( 259) = ( 0.5201202 0.5201202 0.4597597), wk = 0.0035714 k( 260) = ( 0.5160961 0.5160961 0.4678078), wk = 0.0035714 k( 261) = ( 0.5120721 0.5120721 0.4758558), wk = 0.0035714 k( 262) = ( 0.5080481 0.5080481 0.4839039), wk = 0.0035714 k( 263) = ( 0.5040240 0.5040240 0.4919519), wk = 0.0035714 k( 264) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035714 k( 265) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0035714 k( 266) = ( 0.5209250 0.0228709 0.0228709), wk = 0.0035714 k( 267) = ( 0.5418499 0.0457417 0.0457417), wk = 0.0035714 k( 268) = ( 0.5627749 0.0686126 0.0686126), wk = 0.0035714 k( 269) = ( 0.5836998 0.0914834 0.0914834), wk = 0.0035714 k( 270) = ( 0.6046248 0.1143543 0.1143543), wk = 0.0035714 k( 271) = ( 0.6255497 0.1372252 0.1372251), wk = 0.0035714 k( 272) = ( 0.6464747 0.1600960 0.1600960), wk = 0.0035714 k( 273) = ( 0.6673996 0.1829669 0.1829669), wk = 0.0035714 k( 274) = ( 0.6883246 0.2058377 0.2058377), wk = 0.0035714 k( 275) = ( 0.7092495 0.2287086 0.2287086), wk = 0.0035714 k( 276) = ( 0.7301745 0.2515794 0.2515794), wk = 0.0035714 k( 277) = ( 0.7510994 0.2744503 0.2744503), wk = 0.0035714 k( 278) = ( 0.7720244 0.2973212 0.2973211), wk = 0.0035714 k( 279) = ( 0.7929493 0.3201920 0.3201920), wk = 0.0035714 k( 280) = ( 0.8138743 0.3430629 0.3430629), wk = 0.0035714 Dense grid: 63907 G-vectors FFT dimensions: ( 80, 80, 80) Smooth grid: 35113 G-vectors FFT dimensions: ( 64, 64, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 128, 40) NL pseudopotentials 0.11 Mb ( 64, 116) Each V/rho on FFT grid 0.20 Mb ( 12800) Each G-vector array 0.01 Mb ( 888) G-vector shells 0.01 Mb ( 794) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.31 Mb ( 128, 160) Each subspace H/S matrix 0.01 Mb ( 26, 26) Each matrix 0.14 Mb ( 116, 2, 40) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Ca2AsI.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.3 secs Computing kpt #: 2 total cpu time spent up to now is 8.3 secs Computing kpt #: 3 total cpu time spent up to now is 10.2 secs Computing kpt #: 4 total cpu time spent up to now is 12.1 secs Computing kpt #: 5 total cpu time spent up to now is 13.8 secs Computing kpt #: 6 total cpu time spent up to now is 15.5 secs Computing kpt #: 7 total cpu time spent up to now is 17.2 secs Computing kpt #: 8 total cpu time spent up to now is 19.2 secs Computing kpt #: 9 total cpu time spent up to now is 21.1 secs Computing kpt #: 10 total cpu time spent up to now is 22.8 secs Computing kpt #: 11 total cpu time spent up to now is 24.7 secs Computing kpt #: 12 total cpu time spent up to now is 26.5 secs Computing kpt #: 13 total cpu time spent up to now is 28.6 secs Computing kpt #: 14 total cpu time spent up to now is 30.8 secs Computing kpt #: 15 total cpu time spent up to now is 34.6 secs Computing kpt #: 16 total cpu time spent up to now is 37.5 secs Computing kpt #: 17 total cpu time spent up to now is 40.5 secs Computing kpt #: 18 total cpu time spent up to now is 43.3 secs Computing kpt #: 19 total cpu time spent up to now is 46.1 secs Computing kpt #: 20 total cpu time spent up to now is 48.4 secs Computing kpt #: 21 total cpu time spent up to now is 50.7 secs Computing kpt #: 22 total cpu time spent up to now is 53.2 secs Computing kpt #: 23 total cpu time spent up to now is 55.6 secs Computing kpt #: 24 total cpu time spent up to now is 58.2 secs Computing kpt #: 25 total cpu time spent up to now is 60.7 secs Computing kpt #: 26 total cpu time spent up to now is 63.0 secs Computing kpt #: 27 total cpu time spent up to now is 65.3 secs Computing kpt #: 28 total cpu time spent up to now is 68.1 secs Computing kpt #: 29 total cpu time spent up to now is 70.3 secs Computing kpt #: 30 total cpu time spent up to now is 72.8 secs Computing kpt #: 31 total cpu time spent up to now is 74.9 secs Computing kpt #: 32 total cpu time spent up to now is 77.0 secs Computing kpt #: 33 total cpu time spent up to now is 79.1 secs Computing kpt #: 34 total cpu time spent up to now is 81.9 secs Computing kpt #: 35 total cpu time spent up to now is 85.0 secs Computing kpt #: 36 total cpu time spent up to now is 87.0 secs Computing kpt #: 37 total cpu time spent up to now is 89.2 secs Computing kpt #: 38 total cpu time spent up to now is 91.2 secs Computing kpt #: 39 total cpu time spent up to now is 93.2 secs Computing kpt #: 40 total cpu time spent up to now is 95.1 secs Computing kpt #: 41 total cpu time spent up to now is 96.8 secs Computing kpt #: 42 total cpu time spent up to now is 98.5 secs Computing kpt #: 43 total cpu time spent up to now is 100.2 secs Computing kpt #: 44 total cpu time spent up to now is 102.1 secs Computing kpt #: 45 total cpu time spent up to now is 104.0 secs Computing kpt #: 46 total cpu time spent up to now is 106.1 secs Computing kpt #: 47 total cpu time spent up to now is 108.0 secs Computing kpt #: 48 total cpu time spent up to now is 109.8 secs Computing kpt #: 49 total cpu time spent up to now is 112.0 secs Computing kpt #: 50 total cpu time spent up to now is 114.0 secs Computing kpt #: 51 total cpu time spent up to now is 115.8 secs Computing kpt #: 52 total cpu time spent up to now is 117.3 secs Computing kpt #: 53 total cpu time spent up to now is 118.6 secs Computing kpt #: 54 total cpu time spent up to now is 120.2 secs Computing kpt #: 55 total cpu time spent up to now is 121.8 secs Computing kpt #: 56 total cpu time spent up to now is 123.0 secs Computing kpt #: 57 total cpu time spent up to now is 124.8 secs Computing kpt #: 58 total cpu time spent up to now is 126.4 secs Computing kpt #: 59 total cpu time spent up to now is 128.4 secs Computing kpt #: 60 total cpu time spent up to now is 129.9 secs Computing kpt #: 61 total cpu time spent up to now is 131.5 secs Computing kpt #: 62 total cpu time spent up to now is 133.2 secs Computing kpt #: 63 total cpu time spent up to now is 135.1 secs Computing kpt #: 64 total cpu time spent up to now is 136.5 secs Computing kpt #: 65 total cpu time spent up to now is 138.0 secs Computing kpt #: 66 total cpu time spent up to now is 139.4 secs Computing kpt #: 67 total cpu time spent up to now is 140.8 secs Computing kpt #: 68 total cpu time spent up to now is 142.4 secs Computing kpt #: 69 total cpu time spent up to now is 144.2 secs Computing kpt #: 70 total cpu time spent up to now is 145.9 secs Computing kpt #: 71 total cpu time spent up to now is 147.7 secs Computing kpt #: 72 total cpu time spent up to now is 149.2 secs Computing kpt #: 73 total cpu time spent up to now is 151.0 secs Computing kpt #: 74 total cpu time spent up to now is 152.7 secs Computing kpt #: 75 total cpu time spent up to now is 154.3 secs Computing kpt #: 76 total cpu time spent up to now is 156.1 secs Computing kpt #: 77 total cpu time spent up to now is 158.6 secs Computing kpt #: 78 total cpu time spent up to now is 161.1 secs Computing kpt #: 79 total cpu time spent up to now is 164.0 secs Computing kpt #: 80 total cpu time spent up to now is 167.0 secs Computing kpt #: 81 total cpu time spent up to now is 169.3 secs Computing kpt #: 82 total cpu time spent up to now is 172.0 secs Computing kpt #: 83 total cpu time spent up to now is 174.7 secs Computing kpt #: 84 total cpu time spent up to now is 177.5 secs Computing kpt #: 85 total cpu time spent up to now is 179.6 secs Computing kpt #: 86 total cpu time spent up to now is 182.1 secs Computing kpt #: 87 total cpu time spent up to now is 184.2 secs Computing kpt #: 88 total cpu time spent up to now is 186.1 secs Computing kpt #: 89 total cpu time spent up to now is 188.2 secs Computing kpt #: 90 total cpu time spent up to now is 190.0 secs Computing kpt #: 91 total cpu time spent up to now is 191.9 secs Computing kpt #: 92 total cpu time spent up to now is 193.6 secs Computing kpt #: 93 total cpu time spent up to now is 195.4 secs Computing kpt #: 94 total cpu time spent up to now is 197.6 secs Computing kpt #: 95 total cpu time spent up to now is 199.6 secs Computing kpt #: 96 total cpu time spent up to now is 201.5 secs Computing kpt #: 97 total cpu time spent up to now is 204.3 secs Computing kpt #: 98 total cpu time spent up to now is 206.1 secs Computing kpt #: 99 total cpu time spent up to now is 208.1 secs Computing kpt #: 100 total cpu time spent up to now is 210.1 secs Computing kpt #: 101 total cpu time spent up to now is 211.7 secs Computing kpt #: 102 total cpu time spent up to now is 213.4 secs Computing kpt #: 103 total cpu time spent up to now is 215.4 secs Computing kpt #: 104 total cpu time spent up to now is 217.2 secs Computing kpt #: 105 total cpu time spent up to now is 218.7 secs Computing kpt #: 106 total cpu time spent up to now is 220.4 secs Computing kpt #: 107 total cpu time spent up to now is 222.1 secs Computing kpt #: 108 total cpu time spent up to now is 224.1 secs Computing kpt #: 109 total cpu time spent up to now is 226.2 secs Computing kpt #: 110 total cpu time spent up to now is 228.4 secs Computing kpt #: 111 total cpu time spent up to now is 230.3 secs Computing kpt #: 112 total cpu time spent up to now is 232.0 secs Computing kpt #: 113 total cpu time spent up to now is 233.9 secs Computing kpt #: 114 total cpu time spent up to now is 235.7 secs Computing kpt #: 115 total cpu time spent up to now is 237.4 secs Computing kpt #: 116 total cpu time spent up to now is 239.0 secs Computing kpt #: 117 total cpu time spent up to now is 240.8 secs Computing kpt #: 118 total cpu time spent up to now is 242.4 secs Computing kpt #: 119 total cpu time spent up to now is 244.2 secs Computing kpt #: 120 total cpu time spent up to now is 245.8 secs Computing kpt #: 121 total cpu time spent up to now is 247.5 secs Computing kpt #: 122 total cpu time spent up to now is 249.1 secs Computing kpt #: 123 total cpu time spent up to now is 250.8 secs Computing kpt #: 124 total cpu time spent up to now is 252.7 secs Computing kpt #: 125 total cpu time spent up to now is 254.4 secs Computing kpt #: 126 total cpu time spent up to now is 255.9 secs Computing kpt #: 127 total cpu time spent up to now is 258.6 secs Computing kpt #: 128 total cpu time spent up to now is 260.5 secs Computing kpt #: 129 total cpu time spent up to now is 262.2 secs Computing kpt #: 130 total cpu time spent up to now is 263.8 secs Computing kpt #: 131 total cpu time spent up to now is 265.5 secs Computing kpt #: 132 total cpu time spent up to now is 267.2 secs Computing kpt #: 133 total cpu time spent up to now is 268.7 secs Computing kpt #: 134 total cpu time spent up to now is 270.6 secs Computing kpt #: 135 total cpu time spent up to now is 272.4 secs Computing kpt #: 136 total cpu time spent up to now is 274.2 secs Computing kpt #: 137 total cpu time spent up to now is 276.1 secs Computing kpt #: 138 total cpu time spent up to now is 278.0 secs Computing kpt #: 139 total cpu time spent up to now is 280.0 secs Computing kpt #: 140 total cpu time spent up to now is 281.9 secs Computing kpt #: 141 total cpu time spent up to now is 283.8 secs Computing kpt #: 142 total cpu time spent up to now is 285.8 secs Computing kpt #: 143 total cpu time spent up to now is 288.0 secs Computing kpt #: 144 total cpu time spent up to now is 290.0 secs Computing kpt #: 145 total cpu time spent up to now is 292.1 secs Computing kpt #: 146 total cpu time spent up to now is 294.1 secs Computing kpt #: 147 total cpu time spent up to now is 295.9 secs Computing kpt #: 148 total cpu time spent up to now is 297.7 secs Computing kpt #: 149 total cpu time spent up to now is 299.9 secs Computing kpt #: 150 total cpu time spent up to now is 302.0 secs Computing kpt #: 151 total cpu time spent up to now is 304.1 secs Computing kpt #: 152 total cpu time spent up to now is 306.5 secs Computing kpt #: 153 total cpu time spent up to now is 308.5 secs Computing kpt #: 154 total cpu time spent up to now is 310.8 secs Computing kpt #: 155 total cpu time spent up to now is 313.3 secs Computing kpt #: 156 total cpu time spent up to now is 315.5 secs Computing kpt #: 157 total cpu time spent up to now is 317.4 secs Computing kpt #: 158 total cpu time spent up to now is 319.6 secs Computing kpt #: 159 total cpu time spent up to now is 322.8 secs Computing kpt #: 160 total cpu time spent up to now is 325.0 secs Computing kpt #: 161 total cpu time spent up to now is 327.5 secs Computing kpt #: 162 total cpu time spent up to now is 331.1 secs Computing kpt #: 163 total cpu time spent up to now is 334.1 secs Computing kpt #: 164 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 337.6 secs Computing kpt #: 165 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 341.0 secs Computing kpt #: 166 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 344.4 secs Computing kpt #: 167 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 348.2 secs Computing kpt #: 168 total cpu time spent up to now is 351.8 secs Computing kpt #: 169 total cpu time spent up to now is 354.4 secs Computing kpt #: 170 total cpu time spent up to now is 356.9 secs Computing kpt #: 171 total cpu time spent up to now is 359.8 secs Computing kpt #: 172 total cpu time spent up to now is 362.0 secs Computing kpt #: 173 total cpu time spent up to now is 364.7 secs Computing kpt #: 174 total cpu time spent up to now is 367.6 secs Computing kpt #: 175 total cpu time spent up to now is 370.6 secs Computing kpt #: 176 total cpu time spent up to now is 372.6 secs Computing kpt #: 177 total cpu time spent up to now is 374.4 secs Computing kpt #: 178 total cpu time spent up to now is 376.2 secs Computing kpt #: 179 total cpu time spent up to now is 378.1 secs Computing kpt #: 180 total cpu time spent up to now is 380.0 secs Computing kpt #: 181 total cpu time spent up to now is 381.8 secs Computing kpt #: 182 total cpu time spent up to now is 383.5 secs Computing kpt #: 183 total cpu time spent up to now is 385.3 secs Computing kpt #: 184 total cpu time spent up to now is 387.4 secs Computing kpt #: 185 total cpu time spent up to now is 389.2 secs Computing kpt #: 186 total cpu time spent up to now is 391.2 secs Computing kpt #: 187 total cpu time spent up to now is 393.3 secs Computing kpt #: 188 total cpu time spent up to now is 395.4 secs Computing kpt #: 189 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 399.5 secs Computing kpt #: 190 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 403.4 secs Computing kpt #: 191 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 407.0 secs Computing kpt #: 192 total cpu time spent up to now is 409.1 secs Computing kpt #: 193 total cpu time spent up to now is 411.2 secs Computing kpt #: 194 total cpu time spent up to now is 413.3 secs Computing kpt #: 195 total cpu time spent up to now is 415.4 secs Computing kpt #: 196 total cpu time spent up to now is 417.1 secs Computing kpt #: 197 total cpu time spent up to now is 419.0 secs Computing kpt #: 198 total cpu time spent up to now is 420.6 secs Computing kpt #: 199 total cpu time spent up to now is 422.3 secs Computing kpt #: 200 total cpu time spent up to now is 424.1 secs Computing kpt #: 201 total cpu time spent up to now is 425.8 secs Computing kpt #: 202 total cpu time spent up to now is 427.4 secs Computing kpt #: 203 total cpu time spent up to now is 429.1 secs Computing kpt #: 204 total cpu time spent up to now is 431.0 secs Computing kpt #: 205 total cpu time spent up to now is 433.2 secs Computing kpt #: 206 total cpu time spent up to now is 435.3 secs Computing kpt #: 207 total cpu time spent up to now is 437.2 secs Computing kpt #: 208 total cpu time spent up to now is 439.0 secs Computing kpt #: 209 total cpu time spent up to now is 441.1 secs Computing kpt #: 210 total cpu time spent up to now is 443.2 secs Computing kpt #: 211 total cpu time spent up to now is 445.1 secs Computing kpt #: 212 total cpu time spent up to now is 446.9 secs Computing kpt #: 213 total cpu time spent up to now is 449.2 secs Computing kpt #: 214 total cpu time spent up to now is 451.6 secs Computing kpt #: 215 total cpu time spent up to now is 454.2 secs Computing kpt #: 216 total cpu time spent up to now is 456.6 secs Computing kpt #: 217 total cpu time spent up to now is 459.1 secs Computing kpt #: 218 total cpu time spent up to now is 461.3 secs Computing kpt #: 219 total cpu time spent up to now is 463.8 secs Computing kpt #: 220 total cpu time spent up to now is 466.2 secs Computing kpt #: 221 total cpu time spent up to now is 468.5 secs Computing kpt #: 222 total cpu time spent up to now is 470.7 secs Computing kpt #: 223 total cpu time spent up to now is 472.7 secs Computing kpt #: 224 total cpu time spent up to now is 475.6 secs Computing kpt #: 225 total cpu time spent up to now is 477.6 secs Computing kpt #: 226 total cpu time spent up to now is 479.6 secs Computing kpt #: 227 total cpu time spent up to now is 481.6 secs Computing kpt #: 228 total cpu time spent up to now is 484.1 secs Computing kpt #: 229 total cpu time spent up to now is 486.5 secs Computing kpt #: 230 total cpu time spent up to now is 488.8 secs Computing kpt #: 231 total cpu time spent up to now is 491.6 secs Computing kpt #: 232 total cpu time spent up to now is 494.2 secs Computing kpt #: 233 total cpu time spent up to now is 496.7 secs Computing kpt #: 234 total cpu time spent up to now is 500.1 secs Computing kpt #: 235 total cpu time spent up to now is 502.4 secs Computing kpt #: 236 total cpu time spent up to now is 504.7 secs Computing kpt #: 237 total cpu time spent up to now is 506.8 secs Computing kpt #: 238 total cpu time spent up to now is 509.4 secs Computing kpt #: 239 total cpu time spent up to now is 511.5 secs Computing kpt #: 240 total cpu time spent up to now is 513.6 secs Computing kpt #: 241 total cpu time spent up to now is 516.1 secs Computing kpt #: 242 total cpu time spent up to now is 518.7 secs Computing kpt #: 243 total cpu time spent up to now is 520.9 secs Computing kpt #: 244 total cpu time spent up to now is 523.6 secs Computing kpt #: 245 total cpu time spent up to now is 526.2 secs Computing kpt #: 246 total cpu time spent up to now is 528.2 secs Computing kpt #: 247 total cpu time spent up to now is 530.4 secs Computing kpt #: 248 total cpu time spent up to now is 532.7 secs Computing kpt #: 249 total cpu time spent up to now is 534.8 secs Computing kpt #: 250 total cpu time spent up to now is 536.6 secs Computing kpt #: 251 total cpu time spent up to now is 538.4 secs Computing kpt #: 252 total cpu time spent up to now is 540.2 secs Computing kpt #: 253 total cpu time spent up to now is 542.2 secs Computing kpt #: 254 total cpu time spent up to now is 544.1 secs Computing kpt #: 255 total cpu time spent up to now is 546.0 secs Computing kpt #: 256 total cpu time spent up to now is 548.4 secs Computing kpt #: 257 total cpu time spent up to now is 550.8 secs Computing kpt #: 258 total cpu time spent up to now is 552.8 secs Computing kpt #: 259 total cpu time spent up to now is 554.6 secs Computing kpt #: 260 total cpu time spent up to now is 556.6 secs Computing kpt #: 261 total cpu time spent up to now is 558.2 secs Computing kpt #: 262 total cpu time spent up to now is 560.0 secs Computing kpt #: 263 total cpu time spent up to now is 561.7 secs Computing kpt #: 264 total cpu time spent up to now is 563.5 secs Computing kpt #: 265 total cpu time spent up to now is 565.7 secs Computing kpt #: 266 total cpu time spent up to now is 567.9 secs Computing kpt #: 267 total cpu time spent up to now is 570.4 secs Computing kpt #: 268 total cpu time spent up to now is 572.9 secs Computing kpt #: 269 total cpu time spent up to now is 575.2 secs Computing kpt #: 270 total cpu time spent up to now is 577.3 secs Computing kpt #: 271 total cpu time spent up to now is 579.5 secs Computing kpt #: 272 total cpu time spent up to now is 581.5 secs Computing kpt #: 273 total cpu time spent up to now is 583.6 secs Computing kpt #: 274 total cpu time spent up to now is 585.8 secs Computing kpt #: 275 total cpu time spent up to now is 588.2 secs Computing kpt #: 276 total cpu time spent up to now is 590.1 secs Computing kpt #: 277 total cpu time spent up to now is 592.2 secs Computing kpt #: 278 total cpu time spent up to now is 594.4 secs Computing kpt #: 279 total cpu time spent up to now is 596.6 secs Computing kpt #: 280 total cpu time spent up to now is 598.5 secs ethr = 3.13E-08, avg # of iterations = 52.2 total cpu time spent up to now is 598.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4357 PWs) bands (ev): -34.8100 -34.8100 -34.8076 -34.8076 -16.0860 -16.0860 -16.0625 -16.0625 -15.7287 -15.7287 -15.6894 -15.6894 -15.6821 -15.6821 -15.6791 -15.6791 -8.5911 -8.5911 -2.3661 -2.3661 0.7190 0.7190 1.8331 1.8331 2.3564 2.3564 5.7972 5.7972 7.0459 7.0459 7.2094 7.2094 7.3636 7.3636 8.2305 8.2305 8.4571 8.4571 8.4726 8.4726 k = 0.0119-0.0187-0.0114 ( 4359 PWs) bands (ev): -34.8100 -34.8100 -34.8076 -34.8076 -16.0860 -16.0860 -16.0625 -16.0625 -15.7287 -15.7287 -15.6894 -15.6894 -15.6821 -15.6821 -15.6792 -15.6792 -8.5907 -8.5907 -2.3657 -2.3657 0.7195 0.7195 1.8318 1.8318 2.3543 2.3543 5.7954 5.7954 7.0388 7.0388 7.1989 7.1989 7.3769 7.3769 8.2331 8.2331 8.4586 8.4586 8.4750 8.4750 k = 0.0238-0.0373-0.0228 ( 4365 PWs) bands (ev): -34.8100 -34.8100 -34.8076 -34.8076 -16.0860 -16.0860 -16.0626 -16.0626 -15.7287 -15.7287 -15.6894 -15.6894 -15.6823 -15.6823 -15.6793 -15.6793 -8.5897 -8.5897 -2.3645 -2.3645 0.7209 0.7209 1.8277 1.8277 2.3480 2.3480 5.7902 5.7902 7.0173 7.0173 7.1759 7.1759 7.4087 7.4087 8.2407 8.2407 8.4611 8.4611 8.4843 8.4843 k = 0.0357-0.0560-0.0342 ( 4367 PWs) bands (ev): -34.8100 -34.8100 -34.8076 -34.8076 -16.0861 -16.0861 -16.0627 -16.0627 -15.7287 -15.7287 -15.6895 -15.6895 -15.6825 -15.6825 -15.6795 -15.6795 -8.5880 -8.5880 -2.3624 -2.3624 0.7232 0.7232 1.8208 1.8208 2.3378 2.3378 5.7817 5.7817 6.9813 6.9813 7.1513 7.1513 7.4489 7.4489 8.2527 8.2527 8.4623 8.4623 8.5024 8.5024 k = 0.0476-0.0747-0.0456 ( 4368 PWs) bands (ev): -34.8100 -34.8100 -34.8076 -34.8076 -16.0861 -16.0861 -16.0629 -16.0629 -15.7286 -15.7286 -15.6896 -15.6896 -15.6827 -15.6827 -15.6798 -15.6798 -8.5856 -8.5856 -2.3596 -2.3596 0.7263 0.7263 1.8111 1.8111 2.3239 2.3239 5.7701 5.7701 6.9328 6.9328 7.1284 7.1284 7.4931 7.4931 8.2687 8.2687 8.4626 8.4626 8.5284 8.5284 k = 0.0595-0.0934-0.0570 ( 4368 PWs) bands (ev): -34.8099 -34.8099 -34.8075 -34.8075 -16.0861 -16.0861 -16.0631 -16.0631 -15.7285 -15.7285 -15.6898 -15.6898 -15.6830 -15.6830 -15.6802 -15.6802 -8.5825 -8.5825 -2.3560 -2.3560 0.7301 0.7301 1.7987 1.7987 2.3068 2.3068 5.7556 5.7556 6.8749 6.8749 7.1069 7.1069 7.5393 7.5393 8.2880 8.2880 8.4626 8.4626 8.5616 8.5616 k = 0.0714-0.1120-0.0683 ( 4380 PWs) bands (ev): -34.8099 -34.8099 -34.8075 -34.8075 -16.0862 -16.0862 -16.0634 -16.0634 -15.7285 -15.7285 -15.6901 -15.6901 -15.6834 -15.6834 -15.6806 -15.6806 -8.5788 -8.5788 -2.3516 -2.3516 0.7345 0.7345 1.7833 1.7833 2.2869 2.2869 5.7385 5.7385 6.8102 6.8102 7.0858 7.0858 7.5867 7.5867 8.3097 8.3097 8.4629 8.4629 8.6010 8.6010 k = 0.0833-0.1307-0.0797 ( 4382 PWs) bands (ev): -34.8098 -34.8098 -34.8075 -34.8075 -16.0862 -16.0862 -16.0638 -16.0638 -15.7284 -15.7284 -15.6903 -15.6903 -15.6839 -15.6839 -15.6811 -15.6811 -8.5745 -8.5745 -2.3464 -2.3464 0.7394 0.7394 1.7650 1.7650 2.2649 2.2649 5.7191 5.7191 6.7406 6.7406 7.0645 7.0645 7.6344 7.6344 8.3333 8.3333 8.4647 8.4647 8.6461 8.6461 k = 0.0952-0.1494-0.0911 ( 4380 PWs) bands (ev): -34.8098 -34.8098 -34.8075 -34.8075 -16.0863 -16.0863 -16.0642 -16.0642 -15.7283 -15.7283 -15.6906 -15.6906 -15.6843 -15.6843 -15.6817 -15.6817 -8.5696 -8.5696 -2.3405 -2.3405 0.7445 0.7445 1.7438 1.7438 2.2412 2.2412 5.6978 5.6978 6.6675 6.6675 7.0428 7.0428 7.6813 7.6813 8.3578 8.3578 8.4696 8.4696 8.6962 8.6962 k = 0.1071-0.1680-0.1025 ( 4383 PWs) bands (ev): -34.8097 -34.8097 -34.8074 -34.8074 -16.0864 -16.0864 -16.0646 -16.0646 -15.7281 -15.7281 -15.6910 -15.6910 -15.6849 -15.6849 -15.6823 -15.6823 -8.5641 -8.5641 -2.3338 -2.3338 0.7497 0.7497 1.7198 1.7198 2.2164 2.2164 5.6750 5.6750 6.5917 6.5917 7.0207 7.0207 7.7261 7.7261 8.3820 8.3820 8.4798 8.4798 8.7504 8.7505 k = 0.1190-0.1867-0.1139 ( 4385 PWs) bands (ev): -34.8097 -34.8097 -34.8074 -34.8074 -16.0864 -16.0864 -16.0651 -16.0651 -15.7280 -15.7280 -15.6914 -15.6914 -15.6855 -15.6855 -15.6829 -15.6829 -8.5580 -8.5580 -2.3263 -2.3263 0.7547 0.7547 1.6932 1.6932 2.1912 2.1912 5.6510 5.6510 6.5139 6.5139 6.9983 6.9983 7.7672 7.7672 8.4051 8.4051 8.4980 8.4980 8.8081 8.8081 k = 0.1310-0.2054-0.1253 ( 4391 PWs) bands (ev): -34.8096 -34.8096 -34.8074 -34.8074 -16.0865 -16.0865 -16.0656 -16.0656 -15.7279 -15.7279 -15.6920 -15.6920 -15.6862 -15.6862 -15.6836 -15.6836 -8.5514 -8.5514 -2.3182 -2.3182 0.7591 0.7591 1.6643 1.6643 2.1660 2.1660 5.6261 5.6261 6.4346 6.4346 6.9757 6.9757 7.8025 7.8025 8.4275 8.4275 8.5254 8.5254 8.8680 8.8680 k = 0.1429-0.2240-0.1367 ( 4385 PWs) bands (ev): -34.8095 -34.8095 -34.8073 -34.8073 -16.0866 -16.0866 -16.0661 -16.0661 -15.7277 -15.7277 -15.6925 -15.6925 -15.6869 -15.6869 -15.6842 -15.6842 -8.5443 -8.5443 -2.3093 -2.3093 0.7625 0.7625 1.6335 1.6335 2.1411 2.1411 5.6008 5.6008 6.3543 6.3543 6.9532 6.9532 7.8305 7.8305 8.4514 8.4514 8.5616 8.5616 8.9283 8.9283 k = 0.1548-0.2427-0.1481 ( 4387 PWs) bands (ev): -34.8094 -34.8094 -34.8073 -34.8073 -16.0867 -16.0867 -16.0667 -16.0667 -15.7276 -15.7276 -15.6932 -15.6932 -15.6876 -15.6876 -15.6849 -15.6849 -8.5368 -8.5368 -2.2998 -2.2998 0.7647 0.7647 1.6013 1.6013 2.1170 2.1170 5.5753 5.5753 6.2733 6.2733 6.9308 6.9308 7.8499 7.8499 8.4788 8.4788 8.6055 8.6055 8.9861 8.9861 k = 0.1667-0.2614-0.1595 ( 4394 PWs) bands (ev): -34.8093 -34.8093 -34.8072 -34.8072 -16.0868 -16.0868 -16.0674 -16.0674 -15.7274 -15.7274 -15.6939 -15.6939 -15.6884 -15.6884 -15.6855 -15.6855 -8.5289 -8.5289 -2.2896 -2.2896 0.7650 0.7650 1.5685 1.5685 2.0938 2.0938 5.5498 5.5498 6.1920 6.1920 6.9087 6.9087 7.8605 7.8605 8.5103 8.5103 8.6566 8.6566 9.0372 9.0372 k = 0.1786-0.2801-0.1709 ( 4395 PWs) bands (ev): -34.8092 -34.8092 -34.8072 -34.8072 -16.0870 -16.0870 -16.0680 -16.0680 -15.7273 -15.7273 -15.6947 -15.6947 -15.6892 -15.6892 -15.6861 -15.6861 -8.5205 -8.5205 -2.2788 -2.2788 0.7630 0.7630 1.5358 1.5358 2.0716 2.0716 5.5247 5.5247 6.1107 6.1107 6.8869 6.8869 7.8628 7.8628 8.5455 8.5455 8.7144 8.7144 9.0799 9.0799 k = 0.1905-0.2987-0.1823 ( 4389 PWs) bands (ev): -34.8091 -34.8091 -34.8071 -34.8071 -16.0871 -16.0871 -16.0687 -16.0687 -15.7271 -15.7271 -15.6956 -15.6956 -15.6900 -15.6900 -15.6867 -15.6867 -8.5119 -8.5119 -2.2674 -2.2674 0.7581 0.7581 1.5041 1.5041 2.0506 2.0506 5.5002 5.5002 6.0296 6.0296 6.8655 6.8655 7.8582 7.8582 8.5832 8.5832 8.7784 8.7784 9.1167 9.1167 k = 0.2024-0.3174-0.1937 ( 4386 PWs) bands (ev): -34.8090 -34.8090 -34.8071 -34.8071 -16.0872 -16.0872 -16.0694 -16.0694 -15.7269 -15.7269 -15.6965 -15.6965 -15.6909 -15.6909 -15.6873 -15.6873 -8.5030 -8.5030 -2.2556 -2.2556 0.7498 0.7498 1.4742 1.4742 2.0308 2.0308 5.4763 5.4763 5.9491 5.9491 6.8447 6.8447 7.8480 7.8480 8.6224 8.6224 8.8474 8.8474 9.1509 9.1509 k = 0.2143-0.3361-0.2050 ( 4391 PWs) bands (ev): -34.8089 -34.8089 -34.8070 -34.8070 -16.0873 -16.0873 -16.0701 -16.0701 -15.7267 -15.7267 -15.6976 -15.6976 -15.6917 -15.6917 -15.6878 -15.6878 -8.4938 -8.4938 -2.2432 -2.2432 0.7377 0.7377 1.4470 1.4470 2.0121 2.0121 5.4533 5.4533 5.8692 5.8692 6.8244 6.8244 7.8337 7.8337 8.6618 8.6618 8.9204 8.9204 9.1843 9.1843 k = 0.2262-0.3547-0.2164 ( 4389 PWs) bands (ev): -34.8088 -34.8088 -34.8070 -34.8070 -16.0874 -16.0874 -16.0709 -16.0709 -15.7266 -15.7266 -15.6987 -15.6987 -15.6925 -15.6925 -15.6883 -15.6883 -8.4845 -8.4845 -2.2305 -2.2305 0.7215 0.7215 1.4229 1.4229 1.9947 1.9947 5.4311 5.4311 5.7904 5.7904 6.8046 6.8046 7.8166 7.8166 8.7005 8.7005 8.9957 8.9957 9.2178 9.2178 k = 0.2381-0.3734-0.2278 ( 4385 PWs) bands (ev): -34.8087 -34.8087 -34.8069 -34.8069 -16.0875 -16.0875 -16.0717 -16.0717 -15.7264 -15.7264 -15.6998 -15.6998 -15.6933 -15.6933 -15.6888 -15.6888 -8.4750 -8.4750 -2.2173 -2.2173 0.7012 0.7012 1.4025 1.4025 1.9784 1.9784 5.4098 5.4098 5.7130 5.7130 6.7855 6.7855 7.7976 7.7976 8.7376 8.7376 9.0715 9.0715 9.2518 9.2518 k = 0.2500-0.3921-0.2392 ( 4385 PWs) bands (ev): -34.8086 -34.8086 -34.8069 -34.8069 -16.0877 -16.0877 -16.0724 -16.0724 -15.7262 -15.7262 -15.7009 -15.7009 -15.6941 -15.6941 -15.6892 -15.6892 -8.4654 -8.4654 -2.2039 -2.2039 0.6768 0.6768 1.3858 1.3858 1.9633 1.9633 5.3893 5.3893 5.6374 5.6374 6.7671 6.7671 7.7777 7.7777 8.7720 8.7720 9.1455 9.1455 9.2866 9.2866 k = 0.2619-0.4107-0.2506 ( 4389 PWs) bands (ev): -34.8085 -34.8085 -34.8068 -34.8068 -16.0878 -16.0878 -16.0732 -16.0732 -15.7261 -15.7261 -15.7021 -15.7021 -15.6949 -15.6949 -15.6897 -15.6897 -8.4558 -8.4558 -2.1903 -2.1903 0.6487 0.6487 1.3727 1.3727 1.9494 1.9494 5.3689 5.3689 5.5643 5.5643 6.7493 6.7493 7.7575 7.7575 8.8024 8.8024 9.2151 9.2151 9.3220 9.3220 k = 0.2738-0.4294-0.2620 ( 4394 PWs) bands (ev): -34.8084 -34.8084 -34.8068 -34.8068 -16.0879 -16.0879 -16.0741 -16.0741 -15.7259 -15.7259 -15.7034 -15.7034 -15.6956 -15.6956 -15.6901 -15.6901 -8.4462 -8.4462 -2.1765 -2.1765 0.6175 0.6175 1.3630 1.3630 1.9367 1.9367 5.3476 5.3476 5.4950 5.4950 6.7322 6.7322 7.7375 7.7375 8.8278 8.8278 9.2778 9.2778 9.3583 9.3583 k = 0.2857-0.4481-0.2734 ( 4399 PWs) bands (ev): -34.8083 -34.8083 -34.8067 -34.8067 -16.0881 -16.0881 -16.0749 -16.0749 -15.7258 -15.7258 -15.7046 -15.7046 -15.6963 -15.6963 -15.6906 -15.6906 -8.4367 -8.4367 -2.1627 -2.1627 0.5839 0.5839 1.3562 1.3562 1.9252 1.9252 5.3226 5.3226 5.4328 5.4328 6.7158 6.7158 7.7182 7.7182 8.8471 8.8471 9.3325 9.3325 9.3953 9.3953 k = 0.2976-0.4668-0.2848 ( 4396 PWs) bands (ev): -34.8081 -34.8081 -34.8067 -34.8067 -16.0882 -16.0882 -16.0757 -16.0757 -15.7256 -15.7256 -15.7058 -15.7058 -15.6969 -15.6969 -15.6910 -15.6910 -8.4274 -8.4274 -2.1489 -2.1489 0.5485 0.5485 1.3518 1.3518 1.9149 1.9149 5.2875 5.2875 5.3840 5.3840 6.7002 6.7002 7.7000 7.7000 8.8601 8.8601 9.3811 9.3811 9.4330 9.4330 k = 0.3095-0.4854-0.2962 ( 4394 PWs) bands (ev): -34.8080 -34.8080 -34.8067 -34.8067 -16.0883 -16.0883 -16.0765 -16.0765 -15.7255 -15.7255 -15.7069 -15.7069 -15.6975 -15.6975 -15.6914 -15.6914 -8.4182 -8.4182 -2.1352 -2.1352 0.5120 0.5120 1.3493 1.3493 1.9058 1.9058 5.2389 5.2389 5.3523 5.3523 6.6853 6.6853 7.6829 7.6829 8.8667 8.8667 9.4276 9.4276 9.4714 9.4714 k = 0.3214-0.5041-0.3076 ( 4386 PWs) bands (ev): -34.8079 -34.8079 -34.8066 -34.8066 -16.0884 -16.0884 -16.0772 -16.0772 -15.7254 -15.7254 -15.7081 -15.7081 -15.6980 -15.6980 -15.6918 -15.6918 -8.4092 -8.4092 -2.1217 -2.1217 0.4752 0.4752 1.3482 1.3482 1.8978 1.8978 5.1823 5.1823 5.3323 5.3323 6.6712 6.6712 7.6674 7.6674 8.8678 8.8678 9.4751 9.4751 9.5103 9.5103 k = 0.3333-0.5228-0.3190 ( 4389 PWs) bands (ev): -34.8078 -34.8078 -34.8066 -34.8066 -16.0884 -16.0884 -16.0780 -16.0780 -15.7253 -15.7253 -15.7092 -15.7092 -15.6985 -15.6985 -15.6922 -15.6922 -8.4006 -8.4006 -2.1085 -2.1085 0.4386 0.4386 1.3482 1.3482 1.8910 1.8910 5.1240 5.1240 5.3180 5.3180 6.6579 6.6579 7.6534 7.6534 8.8645 8.8645 9.5250 9.5250 9.5498 9.5498 k = 0.3452-0.5414-0.3303 ( 4387 PWs) bands (ev): -34.8077 -34.8077 -34.8066 -34.8066 -16.0885 -16.0885 -16.0788 -16.0788 -15.7252 -15.7252 -15.7103 -15.7103 -15.6989 -15.6989 -15.6926 -15.6926 -8.3922 -8.3922 -2.0956 -2.0956 0.4027 0.4027 1.3489 1.3489 1.8853 1.8853 5.0666 5.0666 5.3067 5.3067 6.6454 6.6454 7.6410 7.6410 8.8579 8.8579 9.5769 9.5769 9.5905 9.5905 k = 0.3571-0.5601-0.3417 ( 4385 PWs) bands (ev): -34.8076 -34.8076 -34.8065 -34.8065 -16.0885 -16.0885 -16.0795 -16.0795 -15.7251 -15.7251 -15.7114 -15.7114 -15.6993 -15.6993 -15.6930 -15.6930 -8.3843 -8.3843 -2.0833 -2.0833 0.3680 0.3680 1.3500 1.3500 1.8805 1.8805 5.0115 5.0115 5.2975 5.2975 6.6337 6.6337 7.6303 7.6303 8.8490 8.8490 9.6245 9.6245 9.6383 9.6383 k = 0.3690-0.5788-0.3531 ( 4389 PWs) bands (ev): -34.8075 -34.8075 -34.8065 -34.8065 -16.0885 -16.0885 -16.0803 -16.0803 -15.7250 -15.7250 -15.7124 -15.7124 -15.6996 -15.6996 -15.6934 -15.6934 -8.3768 -8.3768 -2.0715 -2.0715 0.3348 0.3348 1.3514 1.3514 1.8768 1.8768 4.9592 4.9592 5.2897 5.2897 6.6228 6.6228 7.6212 7.6212 8.8387 8.8387 9.6652 9.6652 9.6945 9.6945 k = 0.3810-0.5975-0.3645 ( 4391 PWs) bands (ev): -34.8074 -34.8074 -34.8065 -34.8065 -16.0886 -16.0886 -16.0810 -16.0810 -15.7250 -15.7250 -15.7134 -15.7134 -15.6999 -15.6999 -15.6938 -15.6938 -8.3698 -8.3698 -2.0604 -2.0604 0.3036 0.3036 1.3528 1.3528 1.8739 1.8739 4.9102 4.9102 5.2832 5.2832 6.6128 6.6128 7.6136 7.6136 8.8277 8.8277 9.7043 9.7044 9.7517 9.7517 k = 0.3929-0.6161-0.3759 ( 4389 PWs) bands (ev): -34.8073 -34.8073 -34.8065 -34.8065 -16.0885 -16.0885 -16.0817 -16.0817 -15.7249 -15.7249 -15.7143 -15.7143 -15.7000 -15.7000 -15.6941 -15.6941 -8.3633 -8.3633 -2.0500 -2.0500 0.2746 0.2746 1.3541 1.3541 1.8717 1.8717 4.8650 4.8650 5.2777 5.2777 6.6037 6.6037 7.6075 7.6075 8.8166 8.8166 9.7424 9.7425 9.8026 9.8026 k = 0.4048-0.6348-0.3873 ( 4389 PWs) bands (ev): -34.8072 -34.8072 -34.8065 -34.8065 -16.0885 -16.0885 -16.0823 -16.0823 -15.7248 -15.7248 -15.7151 -15.7151 -15.7002 -15.7002 -15.6945 -15.6945 -8.3574 -8.3574 -2.0405 -2.0405 0.2481 0.2481 1.3554 1.3554 1.8703 1.8703 4.8237 4.8237 5.2730 5.2730 6.5955 6.5955 7.6026 7.6026 8.8058 8.8058 9.7792 9.7793 9.8327 9.8327 k = 0.4167-0.6535-0.3987 ( 4384 PWs) bands (ev): -34.8071 -34.8071 -34.8065 -34.8065 -16.0884 -16.0884 -16.0830 -16.0830 -15.7247 -15.7247 -15.7159 -15.7159 -15.7003 -15.7003 -15.6948 -15.6948 -8.3521 -8.3521 -2.0319 -2.0319 0.2242 0.2242 1.3565 1.3565 1.8693 1.8693 4.7866 4.7866 5.2692 5.2692 6.5883 6.5883 7.5989 7.5989 8.7956 8.7956 9.8141 9.8141 9.8494 9.8494 k = 0.4286-0.6721-0.4101 ( 4383 PWs) bands (ev): -34.8071 -34.8071 -34.8065 -34.8065 -16.0882 -16.0882 -16.0836 -16.0836 -15.7247 -15.7247 -15.7166 -15.7166 -15.7003 -15.7003 -15.6951 -15.6951 -8.3475 -8.3475 -2.0243 -2.0243 0.2032 0.2032 1.3574 1.3574 1.8688 1.8688 4.7540 4.7540 5.2659 5.2659 6.5819 6.5819 7.5962 7.5962 8.7862 8.7862 9.8456 9.8456 9.8656 9.8656 k = 0.4405-0.6908-0.4215 ( 4381 PWs) bands (ev): -34.8070 -34.8070 -34.8065 -34.8065 -16.0881 -16.0881 -16.0841 -16.0841 -15.7246 -15.7246 -15.7172 -15.7172 -15.7003 -15.7003 -15.6954 -15.6954 -8.3435 -8.3435 -2.0177 -2.0177 0.1851 0.1851 1.3582 1.3582 1.8686 1.8686 4.7261 4.7261 5.2633 5.2633 6.5766 6.5766 7.5942 7.5942 8.7780 8.7780 9.8704 9.8704 9.8867 9.8867 k = 0.4524-0.7095-0.4329 ( 4381 PWs) bands (ev): -34.8069 -34.8069 -34.8065 -34.8065 -16.0879 -16.0879 -16.0846 -16.0846 -15.7245 -15.7245 -15.7177 -15.7177 -15.7003 -15.7003 -15.6956 -15.6956 -8.3401 -8.3401 -2.0123 -2.0123 0.1702 0.1702 1.3588 1.3588 1.8685 1.8685 4.7030 4.7030 5.2613 5.2613 6.5721 6.5721 7.5929 7.5929 8.7710 8.7710 9.8892 9.8892 9.9111 9.9111 k = 0.4643-0.7281-0.4443 ( 4385 PWs) bands (ev): -34.8069 -34.8069 -34.8065 -34.8065 -16.0877 -16.0877 -16.0851 -16.0851 -15.7244 -15.7244 -15.7182 -15.7182 -15.7003 -15.7003 -15.6958 -15.6958 -8.3375 -8.3375 -2.0080 -2.0080 0.1585 0.1585 1.3592 1.3592 1.8686 1.8686 4.6848 4.6848 5.2597 5.2597 6.5687 6.5687 7.5921 7.5921 8.7654 8.7654 9.9057 9.9057 9.9331 9.9331 k = 0.4762-0.7468-0.4556 ( 4388 PWs) bands (ev): -34.8068 -34.8068 -34.8065 -34.8065 -16.0876 -16.0876 -16.0855 -16.0855 -15.7244 -15.7244 -15.7185 -15.7185 -15.7003 -15.7003 -15.6959 -15.6959 -8.3357 -8.3357 -2.0049 -2.0049 0.1501 0.1501 1.3595 1.3595 1.8687 1.8687 4.6718 4.6718 5.2586 5.2586 6.5662 6.5662 7.5915 7.5915 8.7613 8.7613 9.9198 9.9198 9.9502 9.9502 k = 0.4881-0.7655-0.4670 ( 4386 PWs) bands (ev): -34.8068 -34.8068 -34.8065 -34.8065 -16.0874 -16.0874 -16.0857 -16.0857 -15.7243 -15.7243 -15.7187 -15.7187 -15.7003 -15.7003 -15.6960 -15.6960 -8.3346 -8.3346 -2.0030 -2.0030 0.1451 0.1451 1.3597 1.3597 1.8688 1.8688 4.6639 4.6639 5.2580 5.2580 6.5647 6.5647 7.5913 7.5913 8.7588 8.7588 9.9295 9.9295 9.9610 9.9610 k = 0.5000-0.7842-0.4784 ( 4388 PWs) bands (ev): -34.8068 -34.8068 -34.8065 -34.8065 -16.0873 -16.0873 -16.0858 -16.0858 -15.7243 -15.7243 -15.7188 -15.7188 -15.7003 -15.7003 -15.6961 -15.6961 -8.3342 -8.3342 -2.0024 -2.0024 0.1434 0.1434 1.3597 1.3597 1.8689 1.8689 4.6613 4.6613 5.2577 5.2577 6.5642 6.5642 7.5912 7.5912 8.7580 8.7580 9.9330 9.9330 9.9648 9.9648 k = 0.5000-0.7842-0.4784 ( 4388 PWs) bands (ev): -34.8068 -34.8068 -34.8065 -34.8065 -16.0873 -16.0873 -16.0858 -16.0858 -15.7243 -15.7243 -15.7188 -15.7188 -15.7003 -15.7003 -15.6961 -15.6961 -8.3342 -8.3342 -2.0024 -2.0024 0.1434 0.1434 1.3597 1.3597 1.8689 1.8689 4.6613 4.6613 5.2577 5.2577 6.5642 6.5642 7.5912 7.5912 8.7580 8.7580 9.9330 9.9330 9.9648 9.9648 k = 0.5000-0.7713-0.4994 ( 4388 PWs) bands (ev): -34.8068 -34.8068 -34.8065 -34.8065 -16.0874 -16.0874 -16.0858 -16.0858 -15.7243 -15.7243 -15.7188 -15.7188 -15.7003 -15.7003 -15.6961 -15.6961 -8.3341 -8.3341 -2.0022 -2.0022 0.1439 0.1439 1.3590 1.3590 1.8669 1.8669 4.6626 4.6626 5.2588 5.2588 6.5598 6.5598 7.5961 7.5961 8.7619 8.7619 9.9286 9.9286 9.9595 9.9595 k = 0.5000-0.7585-0.5205 ( 4390 PWs) bands (ev): -34.8068 -34.8068 -34.8065 -34.8065 -16.0874 -16.0874 -16.0858 -16.0858 -15.7243 -15.7243 -15.7187 -15.7187 -15.7004 -15.7004 -15.6962 -15.6962 -8.3337 -8.3337 -2.0015 -2.0015 0.1457 0.1457 1.3569 1.3569 1.8612 1.8612 4.6663 4.6663 5.2620 5.2620 6.5465 6.5465 7.6107 7.6107 8.7734 8.7734 9.9158 9.9158 9.9444 9.9444 k = 0.5000-0.7457-0.5415 ( 4398 PWs) bands (ev): -34.8068 -34.8068 -34.8065 -34.8065 -16.0875 -16.0875 -16.0857 -16.0857 -15.7243 -15.7243 -15.7187 -15.7187 -15.7006 -15.7006 -15.6963 -15.6963 -8.3331 -8.3331 -2.0003 -2.0003 0.1485 0.1485 1.3534 1.3534 1.8519 1.8519 4.6724 4.6724 5.2673 5.2673 6.5249 6.5249 7.6350 7.6350 8.7921 8.7921 9.8950 9.8950 9.9206 9.9206 k = 0.5000-0.7329-0.5625 ( 4396 PWs) bands (ev): -34.8068 -34.8068 -34.8065 -34.8065 -16.0877 -16.0877 -16.0857 -16.0857 -15.7242 -15.7242 -15.7186 -15.7186 -15.7008 -15.7008 -15.6965 -15.6965 -8.3323 -8.3323 -1.9987 -1.9987 0.1525 0.1525 1.3481 1.3481 1.8395 1.8395 4.6810 4.6810 5.2745 5.2745 6.4954 6.4954 7.6686 7.6686 8.8176 8.8176 9.8675 9.8675 9.8901 9.8901 k = 0.5000-0.7200-0.5835 ( 4394 PWs) bands (ev): -34.8067 -34.8067 -34.8065 -34.8065 -16.0878 -16.0878 -16.0856 -16.0856 -15.7241 -15.7241 -15.7184 -15.7184 -15.7011 -15.7011 -15.6967 -15.6967 -8.3313 -8.3313 -1.9967 -1.9967 0.1575 0.1575 1.3410 1.3410 1.8245 1.8245 4.6920 4.6920 5.2836 5.2836 6.4588 6.4588 7.7114 7.7114 8.8493 8.8493 9.8344 9.8344 9.8546 9.8546 k = 0.5000-0.7072-0.6045 ( 4392 PWs) bands (ev): -34.8067 -34.8067 -34.8065 -34.8065 -16.0880 -16.0880 -16.0855 -16.0855 -15.7240 -15.7240 -15.7183 -15.7183 -15.7014 -15.7014 -15.6970 -15.6970 -8.3300 -8.3300 -1.9943 -1.9943 0.1636 0.1636 1.3319 1.3319 1.8076 1.8076 4.7053 4.7053 5.2944 5.2944 6.4159 6.4159 7.7630 7.7630 8.8861 8.8861 9.7971 9.7971 9.8156 9.8156 k = 0.5000-0.6944-0.6255 ( 4398 PWs) bands (ev): -34.8067 -34.8067 -34.8065 -34.8065 -16.0881 -16.0881 -16.0854 -16.0854 -15.7239 -15.7239 -15.7181 -15.7181 -15.7017 -15.7017 -15.6973 -15.6973 -8.3286 -8.3286 -1.9915 -1.9915 0.1707 0.1707 1.3203 1.3203 1.7895 1.7895 4.7209 4.7209 5.3067 5.3067 6.3677 6.3677 7.8230 7.8230 8.9274 8.9274 9.7567 9.7567 9.7742 9.7742 k = 0.5000-0.6816-0.6466 ( 4400 PWs) bands (ev): -34.8067 -34.8067 -34.8065 -34.8065 -16.0883 -16.0883 -16.0854 -16.0854 -15.7237 -15.7237 -15.7179 -15.7179 -15.7021 -15.7021 -15.6977 -15.6977 -8.3270 -8.3270 -1.9884 -1.9884 0.1788 0.1788 1.3061 1.3061 1.7710 1.7710 4.7386 4.7386 5.3203 5.3203 6.3149 6.3149 7.8908 7.8908 8.9719 8.9719 9.7141 9.7141 9.7310 9.7310 k = 0.5000-0.6688-0.6676 ( 4404 PWs) bands (ev): -34.8067 -34.8067 -34.8065 -34.8065 -16.0885 -16.0885 -16.0853 -16.0853 -15.7236 -15.7236 -15.7177 -15.7177 -15.7026 -15.7026 -15.6981 -15.6981 -8.3253 -8.3253 -1.9850 -1.9850 0.1878 0.1878 1.2890 1.2890 1.7529 1.7529 4.7586 4.7586 5.3351 5.3351 6.2585 6.2585 7.9659 7.9659 9.0187 9.0187 9.6702 9.6702 9.6863 9.6863 k = 0.5000-0.6559-0.6886 ( 4408 PWs) bands (ev): -34.8067 -34.8067 -34.8065 -34.8065 -16.0887 -16.0887 -16.0853 -16.0853 -15.7235 -15.7235 -15.7175 -15.7175 -15.7030 -15.7030 -15.6985 -15.6985 -8.3235 -8.3235 -1.9813 -1.9813 0.1975 0.1975 1.2691 1.2691 1.7357 1.7357 4.7806 4.7806 5.3509 5.3509 6.1993 6.1993 8.0477 8.0477 9.0659 9.0659 9.6254 9.6254 9.6405 9.6405 k = 0.5000-0.6431-0.7096 ( 4414 PWs) bands (ev): -34.8067 -34.8067 -34.8065 -34.8065 -16.0889 -16.0889 -16.0852 -16.0852 -15.7234 -15.7234 -15.7172 -15.7172 -15.7035 -15.7035 -15.6989 -15.6989 -8.3215 -8.3215 -1.9775 -1.9775 0.2080 0.2080 1.2462 1.2462 1.7201 1.7201 4.8047 4.8047 5.3675 5.3675 6.1380 6.1380 8.1355 8.1355 9.1113 9.1113 9.5803 9.5803 9.5944 9.5944 k = 0.5000-0.6303-0.7306 ( 4410 PWs) bands (ev): -34.8066 -34.8066 -34.8065 -34.8065 -16.0891 -16.0891 -16.0852 -16.0852 -15.7232 -15.7232 -15.7170 -15.7170 -15.7040 -15.7040 -15.6993 -15.6993 -8.3195 -8.3195 -1.9735 -1.9735 0.2191 0.2191 1.2208 1.2208 1.7063 1.7063 4.8307 4.8307 5.3847 5.3847 6.0755 6.0755 8.2287 8.2287 9.1505 9.1505 9.5361 9.5361 9.5506 9.5506 k = 0.5000-0.6175-0.7516 ( 4408 PWs) bands (ev): -34.8066 -34.8066 -34.8064 -34.8064 -16.0892 -16.0892 -16.0852 -16.0852 -15.7231 -15.7231 -15.7167 -15.7167 -15.7044 -15.7044 -15.6998 -15.6998 -8.3175 -8.3175 -1.9694 -1.9694 0.2306 0.2306 1.1932 1.1932 1.6944 1.6944 4.8585 4.8585 5.4025 5.4025 6.0123 6.0123 8.3264 8.3264 9.1760 9.1760 9.4933 9.4933 9.5158 9.5158 k = 0.5000-0.6046-0.7726 ( 4420 PWs) bands (ev): -34.8066 -34.8066 -34.8064 -34.8064 -16.0894 -16.0894 -16.0852 -16.0852 -15.7230 -15.7230 -15.7165 -15.7165 -15.7049 -15.7049 -15.7002 -15.7002 -8.3154 -8.3154 -1.9653 -1.9653 0.2423 0.2423 1.1640 1.1640 1.6845 1.6845 4.8881 4.8881 5.4206 5.4206 5.9492 5.9492 8.4278 8.4278 9.1775 9.1775 9.4503 9.4503 9.5019 9.5019 k = 0.5000-0.5918-0.7937 ( 4416 PWs) bands (ev): -34.8066 -34.8066 -34.8064 -34.8064 -16.0896 -16.0896 -16.0852 -16.0852 -15.7229 -15.7229 -15.7163 -15.7163 -15.7053 -15.7053 -15.7006 -15.7006 -8.3134 -8.3134 -1.9612 -1.9612 0.2541 0.2541 1.1340 1.1340 1.6764 1.6764 4.9195 4.9195 5.4389 5.4389 5.8867 5.8867 8.5319 8.5319 9.1505 9.1505 9.4071 9.4071 9.5131 9.5132 k = 0.5000-0.5790-0.8147 ( 4414 PWs) bands (ev): -34.8065 -34.8065 -34.8064 -34.8064 -16.0897 -16.0897 -16.0852 -16.0852 -15.7228 -15.7228 -15.7160 -15.7160 -15.7057 -15.7057 -15.7010 -15.7010 -8.3114 -8.3114 -1.9572 -1.9572 0.2657 0.2657 1.1040 1.1040 1.6699 1.6699 4.9524 4.9524 5.4571 5.4571 5.8255 5.8255 8.6375 8.6375 9.1019 9.1019 9.3641 9.3641 9.5405 9.5405 k = 0.5000-0.5662-0.8357 ( 4416 PWs) bands (ev): -34.8065 -34.8065 -34.8064 -34.8064 -16.0898 -16.0898 -16.0852 -16.0852 -15.7228 -15.7228 -15.7158 -15.7158 -15.7061 -15.7061 -15.7014 -15.7014 -8.3095 -8.3095 -1.9534 -1.9534 0.2769 0.2769 1.0748 1.0748 1.6648 1.6648 4.9868 4.9868 5.4751 5.4751 5.7662 5.7662 8.7429 8.7429 9.0412 9.0412 9.3218 9.3218 9.5694 9.5695 k = 0.5000-0.5534-0.8567 ( 4422 PWs) bands (ev): -34.8065 -34.8065 -34.8064 -34.8064 -16.0900 -16.0900 -16.0853 -16.0853 -15.7227 -15.7227 -15.7157 -15.7157 -15.7064 -15.7064 -15.7017 -15.7017 -8.3078 -8.3078 -1.9498 -1.9498 0.2872 0.2872 1.0472 1.0472 1.6608 1.6608 5.0226 5.0226 5.4921 5.4921 5.7096 5.7096 8.8430 8.8430 8.9777 8.9777 9.2808 9.2808 9.5882 9.5882 k = 0.5000-0.5405-0.8777 ( 4424 PWs) bands (ev): -34.8065 -34.8065 -34.8064 -34.8064 -16.0901 -16.0901 -16.0853 -16.0853 -15.7228 -15.7228 -15.7156 -15.7156 -15.7066 -15.7066 -15.7019 -15.7019 -8.3062 -8.3062 -1.9466 -1.9466 0.2965 0.2965 1.0220 1.0220 1.6576 1.6576 5.0596 5.0596 5.5072 5.5072 5.6573 5.6573 8.8791 8.8791 8.9700 8.9700 9.2435 9.2435 9.5971 9.5971 k = 0.5000-0.5277-0.8987 ( 4420 PWs) bands (ev): -34.8065 -34.8065 -34.8064 -34.8064 -16.0902 -16.0902 -16.0853 -16.0853 -15.7228 -15.7228 -15.7155 -15.7155 -15.7068 -15.7068 -15.7021 -15.7021 -8.3048 -8.3048 -1.9436 -1.9436 0.3043 0.3043 1.0000 1.0000 1.6551 1.6551 5.0977 5.0977 5.5167 5.5167 5.6131 5.6131 8.8159 8.8159 9.0443 9.0443 9.2196 9.2196 9.6023 9.6023 k = 0.5000-0.5149-0.9198 ( 4420 PWs) bands (ev): -34.8064 -34.8064 -34.8064 -34.8064 -16.0903 -16.0903 -16.0853 -16.0853 -15.7228 -15.7228 -15.7154 -15.7154 -15.7069 -15.7069 -15.7023 -15.7023 -8.3036 -8.3036 -1.9411 -1.9411 0.3103 0.3103 0.9819 0.9819 1.6531 1.6531 5.1365 5.1365 5.5094 5.5094 5.5887 5.5887 8.7433 8.7433 9.0779 9.0779 9.2415 9.2415 9.6073 9.6073 k = 0.5000-0.5021-0.9408 ( 4420 PWs) bands (ev): -34.8064 -34.8064 -34.8064 -34.8064 -16.0903 -16.0903 -16.0854 -16.0854 -15.7229 -15.7229 -15.7155 -15.7155 -15.7070 -15.7070 -15.7023 -15.7023 -8.3027 -8.3027 -1.9391 -1.9391 0.3144 0.3144 0.9683 0.9683 1.6514 1.6514 5.1757 5.1757 5.4805 5.4805 5.5894 5.5894 8.6699 8.6699 9.0580 9.0580 9.3130 9.3130 9.6136 9.6136 k = 0.5000-0.4892-0.9618 ( 4410 PWs) bands (ev): -34.8064 -34.8064 -34.8064 -34.8064 -16.0903 -16.0903 -16.0854 -16.0854 -15.7230 -15.7230 -15.7155 -15.7155 -15.7069 -15.7069 -15.7023 -15.7023 -8.3021 -8.3021 -1.9377 -1.9377 0.3163 0.3163 0.9594 0.9594 1.6500 1.6500 5.2143 5.2143 5.4456 5.4456 5.6004 5.6004 8.5970 8.5970 9.0202 9.0202 9.3956 9.3956 9.6214 9.6214 k = 0.5000-0.4764-0.9828 ( 4414 PWs) bands (ev): -34.8064 -34.8064 -34.8064 -34.8064 -16.0904 -16.0904 -16.0854 -16.0854 -15.7231 -15.7231 -15.7157 -15.7157 -15.7068 -15.7068 -15.7022 -15.7022 -8.3019 -8.3019 -1.9368 -1.9368 0.3163 0.3163 0.9555 0.9555 1.6487 1.6487 5.2503 5.2503 5.4144 5.4144 5.6141 5.6141 8.5253 8.5253 8.9772 8.9772 9.4745 9.4745 9.6310 9.6310 k = 0.5000-0.4636-1.0038 ( 4414 PWs) bands (ev): -34.8064 -34.8064 -34.8064 -34.8064 -16.0904 -16.0904 -16.0854 -16.0854 -15.7232 -15.7232 -15.7158 -15.7158 -15.7066 -15.7066 -15.7021 -15.7021 -8.3020 -8.3020 -1.9367 -1.9367 0.3144 0.3144 0.9565 0.9565 1.6474 1.6474 5.2778 5.2778 5.3951 5.3951 5.6284 5.6284 8.4554 8.4554 8.9323 8.9323 9.5439 9.5439 9.6422 9.6422 k = 0.5000-0.4508-1.0248 ( 4428 PWs) bands (ev): -34.8064 -34.8064 -34.8064 -34.8064 -16.0904 -16.0904 -16.0854 -16.0854 -15.7234 -15.7234 -15.7160 -15.7160 -15.7063 -15.7063 -15.7019 -15.7019 -8.3025 -8.3025 -1.9372 -1.9372 0.3110 0.3110 0.9622 0.9622 1.6461 1.6461 5.2855 5.2855 5.3992 5.3992 5.6426 5.6426 8.3876 8.3876 8.8865 8.8865 9.6004 9.6004 9.6555 9.6555 k = 0.5000-0.4380-1.0458 ( 4432 PWs) bands (ev): -34.8065 -34.8065 -34.8064 -34.8064 -16.0904 -16.0904 -16.0854 -16.0854 -15.7235 -15.7235 -15.7162 -15.7162 -15.7060 -15.7060 -15.7017 -15.7017 -8.3035 -8.3035 -1.9386 -1.9386 0.3066 0.3066 0.9723 0.9723 1.6448 1.6448 5.2747 5.2747 5.4259 5.4259 5.6565 5.6565 8.3222 8.3222 8.8405 8.8405 9.6409 9.6409 9.6728 9.6728 k = 0.8139-0.3464-0.8679 ( 4432 PWs) bands (ev): -34.8065 -34.8065 -34.8064 -34.8064 -16.0904 -16.0904 -16.0854 -16.0854 -15.7235 -15.7235 -15.7162 -15.7162 -15.7060 -15.7060 -15.7017 -15.7017 -8.3035 -8.3035 -1.9386 -1.9386 0.3066 0.3066 0.9723 0.9723 1.6448 1.6448 5.2747 5.2747 5.4259 5.4259 5.6565 5.6565 8.3222 8.3222 8.8405 8.8405 9.6409 9.6409 9.6728 9.6728 k = 0.8069-0.3355-0.8466 ( 4428 PWs) bands (ev): -34.8065 -34.8065 -34.8064 -34.8064 -16.0903 -16.0903 -16.0853 -16.0853 -15.7236 -15.7236 -15.7164 -15.7164 -15.7056 -15.7056 -15.7014 -15.7014 -8.3049 -8.3049 -1.9408 -1.9408 0.3018 0.3018 0.9864 0.9864 1.6434 1.6434 5.2579 5.2579 5.4626 5.4626 5.6704 5.6704 8.2588 8.2588 8.7943 8.7943 9.6650 9.6650 9.6960 9.6960 k = 0.7999-0.3245-0.8254 ( 4430 PWs) bands (ev): -34.8065 -34.8065 -34.8064 -34.8064 -16.0902 -16.0902 -16.0853 -16.0853 -15.7238 -15.7238 -15.7165 -15.7165 -15.7052 -15.7052 -15.7011 -15.7011 -8.3067 -8.3067 -1.9438 -1.9438 0.2970 0.2970 1.0040 1.0040 1.6421 1.6421 5.2417 5.2417 5.5017 5.5017 5.6848 5.6848 8.1984 8.1984 8.7487 8.7487 9.6801 9.6801 9.7190 9.7190 k = 0.7929-0.3136-0.8041 ( 4426 PWs) bands (ev): -34.8065 -34.8065 -34.8064 -34.8064 -16.0901 -16.0901 -16.0852 -16.0852 -15.7239 -15.7239 -15.7166 -15.7166 -15.7048 -15.7048 -15.7008 -15.7008 -8.3091 -8.3091 -1.9478 -1.9478 0.2928 0.2928 1.0243 1.0243 1.6409 1.6409 5.2283 5.2283 5.5396 5.5396 5.7006 5.7006 8.1413 8.1413 8.7042 8.7042 9.6917 9.6917 9.7381 9.7381 k = 0.7860-0.3027-0.7828 ( 4436 PWs) bands (ev): -34.8066 -34.8066 -34.8064 -34.8064 -16.0901 -16.0901 -16.0851 -16.0851 -15.7240 -15.7240 -15.7167 -15.7167 -15.7043 -15.7043 -15.7004 -15.7004 -8.3119 -8.3119 -1.9527 -1.9527 0.2898 0.2898 1.0470 1.0470 1.6400 1.6400 5.2187 5.2187 5.5735 5.5735 5.7199 5.7199 8.0876 8.0876 8.6609 8.6609 9.7007 9.7007 9.7531 9.7531 k = 0.7790-0.2917-0.7616 ( 4430 PWs) bands (ev): -34.8066 -34.8066 -34.8064 -34.8064 -16.0899 -16.0899 -16.0849 -16.0849 -15.7241 -15.7241 -15.7167 -15.7167 -15.7038 -15.7038 -15.7000 -15.7000 -8.3153 -8.3153 -1.9586 -1.9586 0.2883 0.2883 1.0714 1.0714 1.6393 1.6393 5.2132 5.2132 5.6005 5.6005 5.7450 5.7450 8.0376 8.0376 8.6192 8.6192 9.7067 9.7067 9.7642 9.7642 k = 0.7720-0.2808-0.7403 ( 4440 PWs) bands (ev): -34.8066 -34.8066 -34.8065 -34.8065 -16.0898 -16.0898 -16.0847 -16.0847 -15.7242 -15.7242 -15.7167 -15.7167 -15.7033 -15.7033 -15.6996 -15.6996 -8.3192 -8.3192 -1.9654 -1.9654 0.2886 0.2886 1.0972 1.0972 1.6392 1.6392 5.2119 5.2119 5.6188 5.6188 5.7771 5.7771 7.9915 7.9915 8.5793 8.5793 9.7091 9.7091 9.7711 9.7711 k = 0.7650-0.2698-0.7190 ( 4442 PWs) bands (ev): -34.8067 -34.8067 -34.8065 -34.8065 -16.0896 -16.0896 -16.0845 -16.0845 -15.7242 -15.7242 -15.7166 -15.7166 -15.7028 -15.7028 -15.6992 -15.6992 -8.3236 -8.3236 -1.9732 -1.9732 0.2911 0.2911 1.1237 1.1237 1.6397 1.6397 5.2150 5.2150 5.6290 5.6290 5.8154 5.8154 7.9494 7.9494 8.5415 8.5415 9.7073 9.7073 9.7735 9.7735 k = 0.7581-0.2589-0.6978 ( 4438 PWs) bands (ev): -34.8067 -34.8067 -34.8065 -34.8065 -16.0894 -16.0894 -16.0842 -16.0842 -15.7242 -15.7242 -15.7164 -15.7164 -15.7023 -15.7023 -15.6988 -15.6988 -8.3285 -8.3285 -1.9820 -1.9820 0.2959 0.2959 1.1505 1.1505 1.6412 1.6412 5.2223 5.2223 5.6328 5.6328 5.8580 5.8580 7.9115 7.9115 8.5060 8.5060 9.7005 9.7005 9.7712 9.7712 k = 0.7511-0.2480-0.6765 ( 4432 PWs) bands (ev): -34.8068 -34.8068 -34.8066 -34.8066 -16.0892 -16.0892 -16.0839 -16.0839 -15.7242 -15.7242 -15.7161 -15.7161 -15.7017 -15.7017 -15.6983 -15.6983 -8.3339 -8.3339 -1.9917 -1.9917 0.3033 0.3033 1.1772 1.1772 1.6439 1.6439 5.2338 5.2338 5.6317 5.6317 5.9032 5.9032 7.8779 7.8779 8.4728 8.4728 9.6881 9.6881 9.7643 9.7643 k = 0.7441-0.2370-0.6552 ( 4428 PWs) bands (ev): -34.8068 -34.8068 -34.8066 -34.8066 -16.0890 -16.0890 -16.0836 -16.0836 -15.7242 -15.7242 -15.7158 -15.7158 -15.7012 -15.7012 -15.6979 -15.6979 -8.3399 -8.3399 -2.0023 -2.0023 0.3133 0.3133 1.2034 1.2034 1.6481 1.6481 5.2494 5.2494 5.6266 5.6266 5.9499 5.9499 7.8488 7.8488 8.4421 8.4421 9.6699 9.6699 9.7527 9.7527 k = 0.7371-0.2261-0.6340 ( 4428 PWs) bands (ev): -34.8069 -34.8069 -34.8066 -34.8066 -16.0887 -16.0887 -16.0832 -16.0832 -15.7241 -15.7241 -15.7154 -15.7154 -15.7006 -15.7006 -15.6974 -15.6974 -8.3463 -8.3463 -2.0139 -2.0139 0.3261 0.3261 1.2287 1.2287 1.6540 1.6540 5.2691 5.2691 5.6182 5.6182 5.9974 5.9974 7.8243 7.8243 8.4139 8.4139 9.6456 9.6456 9.7366 9.7367 k = 0.7302-0.2151-0.6127 ( 4420 PWs) bands (ev): -34.8070 -34.8070 -34.8067 -34.8067 -16.0885 -16.0885 -16.0828 -16.0828 -15.7240 -15.7240 -15.7150 -15.7150 -15.7000 -15.7000 -15.6970 -15.6970 -8.3532 -8.3532 -2.0263 -2.0263 0.3415 0.3415 1.2527 1.2527 1.6620 1.6620 5.2925 5.2925 5.6068 5.6068 6.0452 6.0452 7.8045 7.8045 8.3883 8.3883 9.6157 9.6157 9.7159 9.7159 k = 0.7232-0.2042-0.5915 ( 4428 PWs) bands (ev): -34.8070 -34.8070 -34.8067 -34.8067 -16.0882 -16.0882 -16.0824 -16.0824 -15.7240 -15.7240 -15.7145 -15.7145 -15.6994 -15.6994 -15.6965 -15.6965 -8.3605 -8.3605 -2.0395 -2.0395 0.3596 0.3596 1.2751 1.2751 1.6722 1.6722 5.3196 5.3196 5.5928 5.5928 6.0930 6.0930 7.7894 7.7894 8.3650 8.3650 9.5808 9.5808 9.6897 9.6897 k = 0.7162-0.1933-0.5702 ( 4426 PWs) bands (ev): -34.8071 -34.8071 -34.8068 -34.8068 -16.0879 -16.0879 -16.0819 -16.0819 -15.7238 -15.7238 -15.7140 -15.7140 -15.6988 -15.6988 -15.6961 -15.6961 -8.3682 -8.3682 -2.0535 -2.0535 0.3804 0.3804 1.2958 1.2958 1.6847 1.6847 5.3499 5.3499 5.5765 5.5765 6.1405 6.1405 7.7791 7.7791 8.3441 8.3441 9.5418 9.5418 9.6567 9.6567 k = 0.7092-0.1823-0.5489 ( 4426 PWs) bands (ev): -34.8072 -34.8072 -34.8069 -34.8069 -16.0876 -16.0876 -16.0814 -16.0814 -15.7237 -15.7237 -15.7134 -15.7134 -15.6982 -15.6982 -15.6956 -15.6956 -8.3763 -8.3763 -2.0682 -2.0682 0.4037 0.4037 1.3148 1.3148 1.6997 1.6997 5.3828 5.3828 5.5588 5.5588 6.1875 6.1875 7.7736 7.7736 8.3253 8.3253 9.4997 9.4997 9.6169 9.6169 k = 0.7023-0.1714-0.5277 ( 4416 PWs) bands (ev): -34.8073 -34.8073 -34.8069 -34.8069 -16.0873 -16.0873 -16.0809 -16.0809 -15.7235 -15.7235 -15.7128 -15.7128 -15.6976 -15.6976 -15.6951 -15.6951 -8.3848 -8.3848 -2.0836 -2.0836 0.4293 0.4293 1.3321 1.3321 1.7170 1.7170 5.4167 5.4167 5.5411 5.5411 6.2338 6.2338 7.7730 7.7730 8.3084 8.3084 9.4558 9.4558 9.5724 9.5724 k = 0.6953-0.1604-0.5064 ( 4414 PWs) bands (ev): -34.8073 -34.8073 -34.8070 -34.8070 -16.0869 -16.0869 -16.0804 -16.0804 -15.7232 -15.7232 -15.7121 -15.7121 -15.6969 -15.6969 -15.6946 -15.6946 -8.3936 -8.3936 -2.0995 -2.0995 0.4572 0.4572 1.3480 1.3480 1.7364 1.7364 5.4456 5.4456 5.5294 5.5294 6.2792 6.2792 7.7771 7.7771 8.2929 8.2929 9.4110 9.4110 9.5257 9.5257 k = 0.6883-0.1495-0.4851 ( 4412 PWs) bands (ev): -34.8074 -34.8074 -34.8070 -34.8070 -16.0865 -16.0865 -16.0798 -16.0798 -15.7230 -15.7230 -15.7114 -15.7114 -15.6963 -15.6963 -15.6941 -15.6941 -8.4026 -8.4026 -2.1159 -2.1159 0.4870 0.4870 1.3628 1.3628 1.7576 1.7576 5.4526 5.4526 5.5407 5.5407 6.3235 6.3235 7.7860 7.7860 8.2785 8.2785 9.3663 9.3663 9.4789 9.4789 k = 0.6813-0.1386-0.4639 ( 4410 PWs) bands (ev): -34.8075 -34.8075 -34.8071 -34.8071 -16.0862 -16.0862 -16.0793 -16.0793 -15.7227 -15.7227 -15.7108 -15.7108 -15.6956 -15.6956 -15.6936 -15.6936 -8.4119 -8.4119 -2.1328 -2.1328 0.5185 0.5185 1.3771 1.3771 1.7803 1.7803 5.4360 5.4360 5.5766 5.5766 6.3666 6.3666 7.7994 7.7994 8.2646 8.2646 9.3226 9.3226 9.4337 9.4337 k = 0.6744-0.1276-0.4426 ( 4402 PWs) bands (ev): -34.8076 -34.8076 -34.8072 -34.8072 -16.0858 -16.0858 -16.0787 -16.0787 -15.7224 -15.7224 -15.7101 -15.7101 -15.6950 -15.6950 -15.6930 -15.6930 -8.4214 -8.4214 -2.1500 -2.1500 0.5513 0.5513 1.3911 1.3911 1.8042 1.8042 5.4104 5.4104 5.6226 5.6226 6.4084 6.4084 7.8173 7.8173 8.2509 8.2509 9.2807 9.2807 9.3907 9.3907 k = 0.6674-0.1167-0.4213 ( 4406 PWs) bands (ev): -34.8077 -34.8077 -34.8073 -34.8073 -16.0854 -16.0854 -16.0781 -16.0781 -15.7222 -15.7222 -15.7094 -15.7094 -15.6943 -15.6943 -15.6925 -15.6925 -8.4310 -8.4310 -2.1674 -2.1674 0.5852 0.5852 1.4055 1.4055 1.8290 1.8290 5.3810 5.3810 5.6734 5.6734 6.4486 6.4486 7.8394 7.8394 8.2366 8.2366 9.2413 9.2413 9.3507 9.3507 k = 0.6604-0.1058-0.4001 ( 4392 PWs) bands (ev): -34.8078 -34.8078 -34.8073 -34.8073 -16.0849 -16.0849 -16.0775 -16.0775 -15.7219 -15.7219 -15.7087 -15.7087 -15.6936 -15.6936 -15.6919 -15.6919 -8.4407 -8.4407 -2.1850 -2.1850 0.6196 0.6196 1.4207 1.4207 1.8542 1.8542 5.3494 5.3494 5.7273 5.7273 6.4871 6.4871 7.8655 7.8655 8.2212 8.2212 9.2052 9.2052 9.3138 9.3138 k = 0.6534-0.0948-0.3788 ( 4394 PWs) bands (ev): -34.8079 -34.8079 -34.8074 -34.8074 -16.0845 -16.0845 -16.0769 -16.0769 -15.7216 -15.7216 -15.7080 -15.7080 -15.6929 -15.6929 -15.6913 -15.6913 -8.4504 -8.4504 -2.2027 -2.2027 0.6541 0.6541 1.4372 1.4372 1.8798 1.8798 5.3162 5.3162 5.7838 5.7838 6.5239 6.5239 7.8951 7.8951 8.2042 8.2042 9.1730 9.1730 9.2798 9.2798 k = 0.6465-0.0839-0.3576 ( 4392 PWs) bands (ev): -34.8079 -34.8079 -34.8075 -34.8075 -16.0841 -16.0841 -16.0764 -16.0764 -15.7212 -15.7212 -15.7074 -15.7074 -15.6921 -15.6921 -15.6907 -15.6907 -8.4601 -8.4601 -2.2204 -2.2204 0.6884 0.6884 1.4553 1.4553 1.9055 1.9055 5.2818 5.2818 5.8423 5.8423 6.5588 6.5588 7.9280 7.9280 8.1850 8.1850 9.1453 9.1453 9.2482 9.2482 k = 0.6395-0.0729-0.3363 ( 4398 PWs) bands (ev): -34.8080 -34.8080 -34.8076 -34.8076 -16.0837 -16.0837 -16.0758 -16.0758 -15.7209 -15.7209 -15.7068 -15.7068 -15.6914 -15.6914 -15.6901 -15.6901 -8.4698 -8.4698 -2.2379 -2.2379 0.7217 0.7217 1.4755 1.4755 1.9312 1.9312 5.2465 5.2465 5.9026 5.9026 6.5916 6.5916 7.9634 7.9634 8.1633 8.1633 9.1227 9.1227 9.2181 9.2181 k = 0.6325-0.0620-0.3150 ( 4398 PWs) bands (ev): -34.8081 -34.8081 -34.8076 -34.8076 -16.0833 -16.0833 -16.0753 -16.0753 -15.7206 -15.7206 -15.7062 -15.7062 -15.6907 -15.6907 -15.6895 -15.6895 -8.4794 -8.4794 -2.2553 -2.2553 0.7538 0.7538 1.4980 1.4980 1.9568 1.9568 5.2104 5.2104 5.9642 5.9642 6.6224 6.6224 8.0007 8.0007 8.1389 8.1389 9.1061 9.1061 9.1880 9.1880 k = 0.6255-0.0511-0.2938 ( 4394 PWs) bands (ev): -34.8082 -34.8082 -34.8077 -34.8077 -16.0828 -16.0828 -16.0748 -16.0748 -15.7203 -15.7203 -15.7057 -15.7057 -15.6899 -15.6899 -15.6889 -15.6889 -8.4888 -8.4888 -2.2723 -2.2723 0.7842 0.7842 1.5229 1.5229 1.9821 1.9821 5.1739 5.1739 6.0268 6.0268 6.6510 6.6510 8.0383 8.0383 8.1125 8.1125 9.0958 9.0958 9.1565 9.1565 k = 0.6186-0.0401-0.2725 ( 4396 PWs) bands (ev): -34.8083 -34.8083 -34.8078 -34.8078 -16.0824 -16.0824 -16.0743 -16.0743 -15.7200 -15.7200 -15.7052 -15.7052 -15.6891 -15.6891 -15.6882 -15.6882 -8.4980 -8.4980 -2.2890 -2.2890 0.8124 0.8124 1.5504 1.5504 2.0073 2.0073 5.1370 5.1370 6.0901 6.0901 6.6775 6.6775 8.0624 8.0624 8.0972 8.0972 9.0922 9.0922 9.1227 9.1227 k = 0.6116-0.0292-0.2512 ( 4392 PWs) bands (ev): -34.8084 -34.8084 -34.8079 -34.8079 -16.0820 -16.0820 -16.0738 -16.0738 -15.7197 -15.7197 -15.7048 -15.7048 -15.6884 -15.6884 -15.6876 -15.6876 -8.5070 -8.5070 -2.3053 -2.3053 0.8383 0.8383 1.5803 1.5803 2.0323 2.0323 5.0999 5.0999 6.1536 6.1536 6.7018 6.7018 8.0379 8.0379 8.1274 8.1274 9.0806 9.0806 9.1013 9.1013 k = 0.6046-0.0182-0.2300 ( 4386 PWs) bands (ev): -34.8085 -34.8085 -34.8079 -34.8079 -16.0816 -16.0816 -16.0733 -16.0733 -15.7194 -15.7194 -15.7043 -15.7043 -15.6876 -15.6876 -15.6869 -15.6869 -8.5157 -8.5157 -2.3210 -2.3210 0.8617 0.8617 1.6122 1.6122 2.0573 2.0573 5.0629 5.0629 6.2170 6.2170 6.7239 6.7239 8.0010 8.0010 8.1664 8.1664 9.0412 9.0412 9.1129 9.1129 k = 0.5976-0.0073-0.2087 ( 4386 PWs) bands (ev): -34.8085 -34.8085 -34.8080 -34.8080 -16.0812 -16.0812 -16.0728 -16.0728 -15.7192 -15.7192 -15.7040 -15.7040 -15.6868 -15.6868 -15.6863 -15.6863 -8.5241 -8.5241 -2.3360 -2.3360 0.8826 0.8826 1.6458 1.6458 2.0822 2.0822 5.0261 5.0261 6.2797 6.2797 6.7439 6.7439 7.9601 7.9601 8.2057 8.2057 8.9985 8.9985 9.1346 9.1346 k = 0.5907 0.0036-0.1874 ( 4382 PWs) bands (ev): -34.8086 -34.8086 -34.8081 -34.8081 -16.0808 -16.0808 -16.0724 -16.0724 -15.7189 -15.7189 -15.7036 -15.7036 -15.6861 -15.6861 -15.6856 -15.6856 -8.5320 -8.5320 -2.3504 -2.3504 0.9009 0.9009 1.6803 1.6803 2.1073 2.1073 4.9897 4.9897 6.3413 6.3413 6.7619 6.7619 7.9163 7.9163 8.2442 8.2442 8.9554 8.9554 9.1651 9.1651 k = 0.5837 0.0146-0.1662 ( 4384 PWs) bands (ev): -34.8087 -34.8087 -34.8081 -34.8081 -16.0804 -16.0804 -16.0720 -16.0720 -15.7187 -15.7187 -15.7033 -15.7033 -15.6854 -15.6854 -15.6850 -15.6850 -8.5396 -8.5396 -2.3640 -2.3640 0.9169 0.9169 1.7151 1.7151 2.1326 2.1326 4.9539 4.9539 6.4011 6.4011 6.7780 6.7780 7.8706 7.8706 8.2818 8.2818 8.9135 8.9135 9.2035 9.2035 k = 0.5767 0.0255-0.1449 ( 4380 PWs) bands (ev): -34.8088 -34.8088 -34.8082 -34.8082 -16.0801 -16.0801 -16.0717 -16.0717 -15.7185 -15.7185 -15.7031 -15.7031 -15.6847 -15.6847 -15.6844 -15.6844 -8.5467 -8.5467 -2.3768 -2.3768 0.9307 0.9307 1.7492 1.7492 2.1583 2.1583 4.9190 4.9190 6.4585 6.4585 6.7925 6.7925 7.8238 7.8238 8.3185 8.3185 8.8740 8.8740 9.2486 9.2486 k = 0.5697 0.0365-0.1237 ( 4384 PWs) bands (ev): -34.8088 -34.8088 -34.8082 -34.8082 -16.0798 -16.0798 -16.0713 -16.0713 -15.7183 -15.7183 -15.7029 -15.7029 -15.6840 -15.6840 -15.6838 -15.6838 -8.5533 -8.5533 -2.3887 -2.3887 0.9425 0.9425 1.7821 1.7821 2.1842 2.1842 4.8852 4.8852 6.5129 6.5129 6.8054 6.8054 7.7766 7.7766 8.3548 8.3548 8.8376 8.8376 9.2975 9.2975 k = 0.5628 0.0474-0.1024 ( 4384 PWs) bands (ev): -34.8089 -34.8089 -34.8083 -34.8083 -16.0795 -16.0795 -16.0710 -16.0710 -15.7181 -15.7181 -15.7027 -15.7027 -15.6834 -15.6834 -15.6833 -15.6833 -8.5594 -8.5594 -2.3997 -2.3997 0.9524 0.9524 1.8129 1.8129 2.2104 2.2104 4.8529 4.8529 6.5636 6.5636 6.8172 6.8172 7.7303 7.7303 8.3909 8.3909 8.8049 8.8049 9.3444 9.3444 k = 0.5558 0.0583-0.0811 ( 4390 PWs) bands (ev): -34.8089 -34.8089 -34.8083 -34.8083 -16.0792 -16.0792 -16.0708 -16.0708 -15.7180 -15.7180 -15.7025 -15.7025 -15.6829 -15.6829 -15.6828 -15.6828 -8.5649 -8.5649 -2.4096 -2.4096 0.9608 0.9608 1.8410 1.8410 2.2365 2.2365 4.8223 4.8223 6.6096 6.6096 6.8281 6.8281 7.6856 7.6856 8.4274 8.4274 8.7760 8.7760 9.3750 9.3750 k = 0.5488 0.0693-0.0599 ( 4390 PWs) bands (ev): -34.8090 -34.8090 -34.8084 -34.8084 -16.0790 -16.0790 -16.0705 -16.0705 -15.7178 -15.7178 -15.7024 -15.7024 -15.6824 -15.6824 -15.6823 -15.6823 -8.5698 -8.5698 -2.4185 -2.4185 0.9678 0.9678 1.8659 1.8659 2.2621 2.2621 4.7939 4.7939 6.6504 6.6504 6.8385 6.8385 7.6438 7.6438 8.4645 8.4645 8.7510 8.7510 9.3693 9.3693 k = 0.5418 0.0802-0.0386 ( 4398 PWs) bands (ev): -34.8090 -34.8090 -34.8084 -34.8084 -16.0788 -16.0788 -16.0704 -16.0704 -15.7177 -15.7177 -15.7023 -15.7023 -15.6820 -15.6820 -15.6818 -15.6818 -8.5742 -8.5742 -2.4262 -2.4262 0.9735 0.9735 1.8876 1.8876 2.2866 2.2866 4.7680 4.7680 6.6851 6.6851 6.8488 6.8488 7.6055 7.6055 8.5023 8.5023 8.7298 8.7298 9.3335 9.3335 k = 0.5349 0.0911-0.0173 ( 4396 PWs) bands (ev): -34.8091 -34.8091 -34.8084 -34.8084 -16.0786 -16.0786 -16.0702 -16.0702 -15.7176 -15.7176 -15.7022 -15.7022 -15.6816 -15.6816 -15.6814 -15.6814 -8.5779 -8.5779 -2.4329 -2.4329 0.9782 0.9782 1.9057 1.9057 2.3093 2.3093 4.7451 4.7451 6.7133 6.7133 6.8592 6.8592 7.5718 7.5718 8.5405 8.5405 8.7123 8.7123 9.2864 9.2864 k = 0.5279 0.1021 0.0039 ( 4390 PWs) bands (ev): -34.8091 -34.8091 -34.8085 -34.8085 -16.0784 -16.0784 -16.0700 -16.0700 -15.7175 -15.7175 -15.7021 -15.7021 -15.6813 -15.6813 -15.6811 -15.6811 -8.5809 -8.5809 -2.4384 -2.4384 0.9818 0.9818 1.9204 1.9204 2.3292 2.3292 4.7256 4.7256 6.7348 6.7348 6.8695 6.8695 7.5432 7.5432 8.5781 8.5781 8.6982 8.6982 9.2375 9.2375 k = 0.5209 0.1130 0.0252 ( 4390 PWs) bands (ev): -34.8091 -34.8091 -34.8085 -34.8085 -16.0783 -16.0783 -16.0699 -16.0699 -15.7175 -15.7175 -15.7020 -15.7020 -15.6811 -15.6811 -15.6808 -15.6808 -8.5833 -8.5833 -2.4427 -2.4427 0.9845 0.9845 1.9316 1.9316 2.3458 2.3458 4.7099 4.7099 6.7502 6.7502 6.8791 6.8791 7.5204 7.5204 8.6132 8.6132 8.6877 8.6878 9.1915 9.1915 k = 0.5139 0.1240 0.0465 ( 4388 PWs) bands (ev): -34.8091 -34.8091 -34.8085 -34.8085 -16.0782 -16.0782 -16.0698 -16.0698 -15.7174 -15.7174 -15.7020 -15.7020 -15.6809 -15.6809 -15.6807 -15.6807 -8.5850 -8.5850 -2.4457 -2.4457 0.9864 0.9864 1.9396 1.9396 2.3581 2.3581 4.6984 4.6984 6.7602 6.7602 6.8869 6.8869 7.5038 7.5038 8.6426 8.6426 8.6810 8.6810 9.1530 9.1530 k = 0.5070 0.1349 0.0677 ( 4388 PWs) bands (ev): -34.8091 -34.8091 -34.8085 -34.8085 -16.0781 -16.0781 -16.0698 -16.0698 -15.7174 -15.7174 -15.7020 -15.7020 -15.6808 -15.6808 -15.6805 -15.6805 -8.5861 -8.5861 -2.4476 -2.4476 0.9875 0.9875 1.9443 1.9443 2.3658 2.3658 4.6914 4.6914 6.7658 6.7658 6.8920 6.8920 7.4937 7.4937 8.6607 8.6607 8.6795 8.6795 9.1267 9.1267 k = 0.5000 0.1458 0.0890 ( 4380 PWs) bands (ev): -34.8091 -34.8091 -34.8085 -34.8085 -16.0781 -16.0781 -16.0697 -16.0697 -15.7174 -15.7174 -15.7019 -15.7019 -15.6807 -15.6807 -15.6805 -15.6805 -8.5864 -8.5864 -2.4482 -2.4482 0.9879 0.9879 1.9459 1.9459 2.3684 2.3684 4.6891 4.6891 6.7676 6.7676 6.8938 6.8938 7.4903 7.4903 8.6650 8.6650 8.6815 8.6815 9.1172 9.1172 k = 0.5000 0.1458 0.0890 ( 4380 PWs) bands (ev): -34.8091 -34.8091 -34.8085 -34.8085 -16.0781 -16.0781 -16.0697 -16.0697 -15.7174 -15.7174 -15.7019 -15.7019 -15.6807 -15.6807 -15.6805 -15.6805 -8.5864 -8.5864 -2.4482 -2.4482 0.9879 0.9879 1.9459 1.9459 2.3684 2.3684 4.6891 4.6891 6.7676 6.7676 6.8938 6.8938 7.4903 7.4903 8.6650 8.6650 8.6815 8.6815 9.1172 9.1172 k = 0.4773 0.1392 0.0849 ( 4380 PWs) bands (ev): -34.8091 -34.8091 -34.8085 -34.8085 -16.0782 -16.0782 -16.0697 -16.0697 -15.7175 -15.7175 -15.7018 -15.7018 -15.6808 -15.6808 -15.6804 -15.6804 -8.5864 -8.5864 -2.4478 -2.4478 0.9866 0.9866 1.9450 1.9450 2.3683 2.3683 4.6937 4.6937 6.7687 6.7687 6.8951 6.8951 7.4904 7.4904 8.6637 8.6637 8.6802 8.6802 9.1166 9.1166 k = 0.4545 0.1326 0.0809 ( 4386 PWs) bands (ev): -34.8092 -34.8092 -34.8085 -34.8085 -16.0784 -16.0784 -16.0695 -16.0695 -15.7178 -15.7178 -15.7015 -15.7015 -15.6809 -15.6809 -15.6804 -15.6804 -8.5865 -8.5865 -2.4466 -2.4466 0.9825 0.9825 1.9426 1.9426 2.3681 2.3681 4.7076 4.7076 6.7721 6.7721 6.8989 6.8989 7.4906 7.4906 8.6599 8.6599 8.6763 8.6763 9.1147 9.1147 k = 0.4318 0.1260 0.0768 ( 4380 PWs) bands (ev): -34.8092 -34.8092 -34.8084 -34.8084 -16.0788 -16.0788 -16.0691 -16.0691 -15.7183 -15.7183 -15.7009 -15.7009 -15.6810 -15.6810 -15.6803 -15.6803 -8.5866 -8.5866 -2.4447 -2.4447 0.9759 0.9759 1.9385 1.9385 2.3678 2.3678 4.7304 4.7304 6.7776 6.7776 6.9052 6.9052 7.4909 7.4909 8.6537 8.6537 8.6700 8.6700 9.1108 9.1108 k = 0.4091 0.1193 0.0728 ( 4380 PWs) bands (ev): -34.8093 -34.8093 -34.8084 -34.8084 -16.0792 -16.0792 -16.0687 -16.0687 -15.7189 -15.7189 -15.7003 -15.7003 -15.6811 -15.6811 -15.6801 -15.6801 -8.5868 -8.5868 -2.4420 -2.4420 0.9667 0.9667 1.9332 1.9332 2.3674 2.3674 4.7619 4.7619 6.7852 6.7852 6.9140 6.9140 7.4912 7.4912 8.6454 8.6454 8.6615 8.6615 9.1042 9.1042 k = 0.3864 0.1127 0.0688 ( 4386 PWs) bands (ev): -34.8093 -34.8093 -34.8083 -34.8083 -16.0797 -16.0797 -16.0683 -16.0683 -15.7196 -15.7196 -15.6996 -15.6996 -15.6812 -15.6812 -15.6801 -15.6801 -8.5870 -8.5870 -2.4386 -2.4386 0.9553 0.9553 1.9267 1.9267 2.3669 2.3669 4.8015 4.8015 6.7949 6.7949 6.9251 6.9251 7.4915 7.4915 8.6352 8.6352 8.6512 8.6512 9.0933 9.0933 k = 0.3636 0.1061 0.0647 ( 4383 PWs) bands (ev): -34.8094 -34.8094 -34.8083 -34.8083 -16.0802 -16.0802 -16.0677 -16.0677 -15.7204 -15.7204 -15.6987 -15.6987 -15.6813 -15.6813 -15.6800 -15.6800 -8.5872 -8.5872 -2.4346 -2.4346 0.9417 0.9417 1.9194 1.9194 2.3663 2.3663 4.8487 4.8487 6.8066 6.8066 6.9384 6.9384 7.4916 7.4916 8.6236 8.6236 8.6394 8.6394 9.0765 9.0765 k = 0.3409 0.0994 0.0607 ( 4383 PWs) bands (ev): -34.8094 -34.8094 -34.8082 -34.8082 -16.0808 -16.0808 -16.0672 -16.0672 -15.7212 -15.7212 -15.6978 -15.6978 -15.6814 -15.6814 -15.6799 -15.6799 -8.5875 -8.5875 -2.4300 -2.4300 0.9264 0.9264 1.9115 1.9115 2.3656 2.3656 4.9028 4.9028 6.8200 6.8200 6.9538 6.9538 7.4914 7.4914 8.6108 8.6108 8.6264 8.6264 9.0514 9.0514 k = 0.3182 0.0928 0.0566 ( 4383 PWs) bands (ev): -34.8095 -34.8095 -34.8081 -34.8081 -16.0814 -16.0814 -16.0667 -16.0667 -15.7220 -15.7220 -15.6970 -15.6970 -15.6815 -15.6815 -15.6798 -15.6798 -8.5878 -8.5878 -2.4250 -2.4250 0.9095 0.9095 1.9032 1.9032 2.3649 2.3649 4.9631 4.9631 6.8351 6.8351 6.9711 6.9711 7.4908 7.4908 8.5972 8.5972 8.6126 8.6126 9.0160 9.0160 k = 0.2955 0.0862 0.0526 ( 4386 PWs) bands (ev): -34.8096 -34.8096 -34.8081 -34.8081 -16.0819 -16.0819 -16.0662 -16.0662 -15.7228 -15.7228 -15.6961 -15.6961 -15.6816 -15.6816 -15.6797 -15.6797 -8.5881 -8.5881 -2.4196 -2.4196 0.8915 0.8915 1.8949 1.8949 2.3641 2.3641 5.0286 5.0286 6.8515 6.8515 6.9900 6.9900 7.4894 7.4894 8.5830 8.5830 8.5983 8.5983 8.9688 8.9688 k = 0.2727 0.0796 0.0485 ( 4383 PWs) bands (ev): -34.8096 -34.8096 -34.8080 -34.8080 -16.0825 -16.0825 -16.0657 -16.0657 -15.7236 -15.7236 -15.6952 -15.6952 -15.6817 -15.6817 -15.6796 -15.6796 -8.5884 -8.5884 -2.4140 -2.4140 0.8727 0.8727 1.8866 1.8866 2.3632 2.3632 5.0987 5.0987 6.8692 6.8692 7.0104 7.0104 7.4871 7.4871 8.5687 8.5687 8.5838 8.5838 8.9098 8.9098 k = 0.2500 0.0729 0.0445 ( 4359 PWs) bands (ev): -34.8097 -34.8097 -34.8079 -34.8079 -16.0829 -16.0829 -16.0652 -16.0652 -15.7242 -15.7242 -15.6943 -15.6943 -15.6817 -15.6817 -15.6795 -15.6795 -8.5887 -8.5887 -2.4081 -2.4081 0.8535 0.8535 1.8787 1.8787 2.3624 2.3624 5.1722 5.1722 6.8879 6.8879 7.0319 7.0319 7.4836 7.4836 8.5545 8.5545 8.5694 8.5694 8.8407 8.8407 k = 0.2273 0.0663 0.0404 ( 4374 PWs) bands (ev): -34.8097 -34.8097 -34.8079 -34.8079 -16.0834 -16.0834 -16.0648 -16.0648 -15.7250 -15.7250 -15.6936 -15.6936 -15.6818 -15.6818 -15.6795 -15.6795 -8.5891 -8.5891 -2.4023 -2.4023 0.8343 0.8343 1.8711 1.8711 2.3615 2.3615 5.2481 5.2481 6.9072 6.9072 7.0541 7.0541 7.4785 7.4785 8.5405 8.5405 8.5552 8.5552 8.7642 8.7642 k = 0.2045 0.0597 0.0364 ( 4386 PWs) bands (ev): -34.8098 -34.8098 -34.8078 -34.8078 -16.0839 -16.0839 -16.0644 -16.0644 -15.7257 -15.7257 -15.6929 -15.6929 -15.6818 -15.6818 -15.6795 -15.6795 -8.5894 -8.5894 -2.3965 -2.3965 0.8155 0.8155 1.8641 1.8641 2.3607 2.3607 5.3253 5.3253 6.9267 6.9267 7.0767 7.0767 7.4717 7.4717 8.5270 8.5270 8.5414 8.5414 8.6840 8.6840 k = 0.1818 0.0530 0.0324 ( 4386 PWs) bands (ev): -34.8099 -34.8099 -34.8078 -34.8078 -16.0843 -16.0843 -16.0641 -16.0641 -15.7263 -15.7263 -15.6922 -15.6922 -15.6819 -15.6819 -15.6794 -15.6794 -8.5897 -8.5897 -2.3909 -2.3909 0.7975 0.7975 1.8578 1.8578 2.3599 2.3599 5.4025 5.4025 6.9463 6.9463 7.0992 7.0992 7.4627 7.4627 8.5142 8.5142 8.5281 8.5281 8.6035 8.6035 k = 0.1591 0.0464 0.0283 ( 4401 PWs) bands (ev): -34.8099 -34.8099 -34.8078 -34.8078 -16.0848 -16.0848 -16.0637 -16.0637 -15.7269 -15.7269 -15.6916 -15.6916 -15.6820 -15.6820 -15.6793 -15.6793 -8.5900 -8.5900 -2.3857 -2.3857 0.7807 0.7807 1.8520 1.8520 2.3591 2.3591 5.4781 5.4781 6.9653 6.9653 7.1210 7.1210 7.4514 7.4514 8.5023 8.5023 8.5120 8.5120 8.5294 8.5294 k = 0.1364 0.0398 0.0243 ( 4386 PWs) bands (ev): -34.8099 -34.8099 -34.8077 -34.8077 -16.0851 -16.0851 -16.0633 -16.0633 -15.7274 -15.7274 -15.6910 -15.6910 -15.6821 -15.6821 -15.6792 -15.6792 -8.5903 -8.5903 -2.3808 -2.3808 0.7653 0.7653 1.8471 1.8471 2.3585 2.3585 5.5504 5.5504 6.9835 6.9835 7.1417 7.1417 7.4379 7.4379 8.4507 8.4507 8.4913 8.4913 8.5072 8.5072 k = 0.1136 0.0331 0.0202 ( 4381 PWs) bands (ev): -34.8099 -34.8099 -34.8077 -34.8077 -16.0854 -16.0854 -16.0631 -16.0631 -15.7278 -15.7278 -15.6905 -15.6905 -15.6821 -15.6821 -15.6792 -15.6792 -8.5905 -8.5905 -2.3765 -2.3765 0.7518 0.7518 1.8428 1.8428 2.3579 2.3579 5.6176 5.6176 7.0003 7.0003 7.1606 7.1606 7.4225 7.4225 8.3864 8.3864 8.4816 8.4816 8.4970 8.4970 k = 0.0909 0.0265 0.0162 ( 4366 PWs) bands (ev): -34.8100 -34.8100 -34.8077 -34.8077 -16.0856 -16.0856 -16.0628 -16.0628 -15.7281 -15.7281 -15.6901 -15.6901 -15.6821 -15.6821 -15.6791 -15.6791 -8.5907 -8.5907 -2.3729 -2.3729 0.7403 0.7403 1.8393 1.8393 2.3573 2.3573 5.6774 5.6774 7.0154 7.0154 7.1772 7.1772 7.4060 7.4060 8.3315 8.3315 8.4732 8.4732 8.4885 8.4885 k = 0.0682 0.0199 0.0121 ( 4366 PWs) bands (ev): -34.8100 -34.8100 -34.8076 -34.8076 -16.0858 -16.0858 -16.0627 -16.0627 -15.7284 -15.7284 -15.6898 -15.6898 -15.6821 -15.6821 -15.6791 -15.6791 -8.5909 -8.5909 -2.3700 -2.3700 0.7311 0.7311 1.8366 1.8366 2.3569 2.3569 5.7274 5.7274 7.0280 7.0280 7.1908 7.1908 7.3900 7.3900 8.2878 8.2878 8.4664 8.4664 8.4817 8.4817 k = 0.0455 0.0133 0.0081 ( 4369 PWs) bands (ev): -34.8100 -34.8100 -34.8076 -34.8076 -16.0859 -16.0859 -16.0626 -16.0626 -15.7286 -15.7286 -15.6895 -15.6895 -15.6821 -15.6821 -15.6791 -15.6791 -8.5910 -8.5910 -2.3678 -2.3678 0.7244 0.7244 1.8347 1.8347 2.3566 2.3566 5.7653 5.7653 7.0376 7.0376 7.2010 7.2010 7.3763 7.3763 8.2561 8.2561 8.4613 8.4613 8.4767 8.4767 k = 0.0227 0.0066 0.0040 ( 4357 PWs) bands (ev): -34.8100 -34.8100 -34.8076 -34.8076 -16.0859 -16.0859 -16.0625 -16.0625 -15.7286 -15.7286 -15.6894 -15.6894 -15.6821 -15.6821 -15.6791 -15.6791 -8.5910 -8.5910 -2.3665 -2.3665 0.7204 0.7204 1.8335 1.8335 2.3565 2.3565 5.7891 5.7891 7.0438 7.0438 7.2073 7.2073 7.3669 7.3669 8.2369 8.2369 8.4581 8.4581 8.4736 8.4736 k = 0.0000 0.0000 0.0000 ( 4357 PWs) bands (ev): -34.8100 -34.8100 -34.8076 -34.8076 -16.0860 -16.0860 -16.0625 -16.0625 -15.7287 -15.7287 -15.6894 -15.6894 -15.6821 -15.6821 -15.6791 -15.6791 -8.5911 -8.5911 -2.3661 -2.3661 0.7190 0.7190 1.8331 1.8331 2.3564 2.3564 5.7972 5.7972 7.0459 7.0459 7.2094 7.2094 7.3636 7.3636 8.2305 8.2305 8.4571 8.4571 8.4726 8.4726 k = 0.0000 0.0000 0.0000 ( 4357 PWs) bands (ev): -34.8100 -34.8100 -34.8076 -34.8076 -16.0860 -16.0860 -16.0625 -16.0625 -15.7287 -15.7287 -15.6894 -15.6894 -15.6821 -15.6821 -15.6791 -15.6791 -8.5911 -8.5911 -2.3661 -2.3661 0.7190 0.7190 1.8331 1.8331 2.3564 2.3564 5.7972 5.7972 7.0459 7.0459 7.2094 7.2094 7.3636 7.3636 8.2305 8.2305 8.4571 8.4571 8.4726 8.4726 k = 0.0069-0.0108-0.0209 ( 4361 PWs) bands (ev): -34.8100 -34.8100 -34.8076 -34.8076 -16.0860 -16.0860 -16.0625 -16.0625 -15.7287 -15.7287 -15.6894 -15.6894 -15.6821 -15.6821 -15.6792 -15.6792 -8.5907 -8.5907 -2.3657 -2.3657 0.7194 0.7194 1.8318 1.8318 2.3543 2.3543 5.7957 5.7957 7.0389 7.0389 7.1990 7.1990 7.3767 7.3767 8.2329 8.2329 8.4587 8.4587 8.4749 8.4749 k = 0.0137-0.0215-0.0418 ( 4365 PWs) bands (ev): -34.8100 -34.8100 -34.8076 -34.8076 -16.0860 -16.0860 -16.0626 -16.0626 -15.7287 -15.7287 -15.6894 -15.6894 -15.6823 -15.6823 -15.6793 -15.6793 -8.5897 -8.5897 -2.3644 -2.3644 0.7207 0.7207 1.8276 1.8276 2.3481 2.3481 5.7912 5.7912 7.0176 7.0176 7.1760 7.1760 7.4084 7.4084 8.2399 8.2399 8.4619 8.4619 8.4833 8.4833 k = 0.0206-0.0323-0.0628 ( 4367 PWs) bands (ev): -34.8100 -34.8100 -34.8076 -34.8076 -16.0861 -16.0861 -16.0627 -16.0627 -15.7287 -15.7287 -15.6895 -15.6895 -15.6825 -15.6825 -15.6795 -15.6795 -8.5880 -8.5880 -2.3623 -2.3623 0.7228 0.7228 1.8207 1.8207 2.3379 2.3379 5.7839 5.7839 6.9819 6.9819 7.1512 7.1512 7.4486 7.4486 8.2512 8.2512 8.4647 8.4647 8.4996 8.4996 k = 0.0274-0.0430-0.0837 ( 4371 PWs) bands (ev): -34.8100 -34.8100 -34.8076 -34.8076 -16.0861 -16.0861 -16.0629 -16.0629 -15.7286 -15.7286 -15.6896 -15.6896 -15.6827 -15.6827 -15.6798 -15.6798 -8.5856 -8.5856 -2.3595 -2.3595 0.7256 0.7256 1.8111 1.8111 2.3240 2.3240 5.7739 5.7739 6.9334 6.9334 7.1278 7.1278 7.4930 7.4930 8.2662 8.2662 8.4672 8.4672 8.5235 8.5235 k = 0.0343-0.0538-0.1046 ( 4365 PWs) bands (ev): -34.8099 -34.8099 -34.8076 -34.8076 -16.0861 -16.0861 -16.0631 -16.0631 -15.7286 -15.7286 -15.6898 -15.6898 -15.6830 -15.6830 -15.6801 -15.6801 -8.5826 -8.5826 -2.3558 -2.3558 0.7291 0.7291 1.7985 1.7985 2.3069 2.3069 5.7613 5.7613 6.8753 6.8753 7.1054 7.1054 7.5400 7.5400 8.2847 8.2847 8.4697 8.4697 8.5541 8.5541 k = 0.0412-0.0646-0.1255 ( 4363 PWs) bands (ev): -34.8099 -34.8099 -34.8075 -34.8075 -16.0862 -16.0862 -16.0634 -16.0634 -15.7285 -15.7285 -15.6900 -15.6900 -15.6834 -15.6834 -15.6806 -15.6806 -8.5789 -8.5789 -2.3513 -2.3513 0.7332 0.7332 1.7832 1.7832 2.2871 2.2871 5.7463 5.7463 6.8102 6.8102 7.0829 7.0829 7.5887 7.5887 8.3062 8.3062 8.4724 8.4724 8.5908 8.5908 k = 0.0480-0.0753-0.1464 ( 4371 PWs) bands (ev): -34.8098 -34.8098 -34.8075 -34.8075 -16.0863 -16.0863 -16.0637 -16.0637 -15.7284 -15.7284 -15.6903 -15.6903 -15.6838 -15.6838 -15.6811 -15.6811 -8.5746 -8.5746 -2.3460 -2.3460 0.7377 0.7377 1.7649 1.7649 2.2649 2.2649 5.7292 5.7292 6.7401 6.7401 7.0594 7.0594 7.6389 7.6389 8.3303 8.3303 8.4754 8.4754 8.6329 8.6329 k = 0.0549-0.0861-0.1673 ( 4381 PWs) bands (ev): -34.8098 -34.8098 -34.8075 -34.8075 -16.0863 -16.0863 -16.0641 -16.0641 -15.7283 -15.7283 -15.6906 -15.6906 -15.6843 -15.6843 -15.6817 -15.6817 -8.5697 -8.5697 -2.3399 -2.3399 0.7424 0.7424 1.7440 1.7440 2.2410 2.2410 5.7102 5.7102 6.6663 6.6663 7.0348 7.0348 7.6900 7.6900 8.3569 8.3569 8.4785 8.4785 8.6796 8.6796 k = 0.0618-0.0968-0.1883 ( 4391 PWs) bands (ev): -34.8097 -34.8097 -34.8074 -34.8074 -16.0864 -16.0864 -16.0645 -16.0645 -15.7283 -15.7283 -15.6909 -15.6909 -15.6850 -15.6850 -15.6823 -15.6823 -8.5642 -8.5642 -2.3331 -2.3331 0.7473 0.7473 1.7204 1.7204 2.2157 2.2157 5.6897 5.6897 6.5899 6.5899 7.0088 7.0088 7.7417 7.7417 8.3859 8.3859 8.4819 8.4819 8.7301 8.7301 k = 0.0686-0.1076-0.2092 ( 4397 PWs) bands (ev): -34.8097 -34.8097 -34.8074 -34.8074 -16.0865 -16.0865 -16.0650 -16.0650 -15.7282 -15.7282 -15.6914 -15.6914 -15.6856 -15.6856 -15.6829 -15.6829 -8.5582 -8.5582 -2.3256 -2.3256 0.7519 0.7519 1.6944 1.6944 2.1896 2.1896 5.6678 5.6678 6.5117 6.5117 6.9815 6.9815 7.7937 7.7937 8.4169 8.4169 8.4855 8.4855 8.7834 8.7834 k = 0.0755-0.1184-0.2301 ( 4395 PWs) bands (ev): -34.8096 -34.8096 -34.8074 -34.8074 -16.0866 -16.0866 -16.0655 -16.0655 -15.7280 -15.7280 -15.6919 -15.6919 -15.6862 -15.6862 -15.6835 -15.6835 -8.5516 -8.5516 -2.3174 -2.3174 0.7562 0.7562 1.6665 1.6665 2.1630 2.1630 5.6449 5.6449 6.4324 6.4324 6.9531 6.9531 7.8456 7.8456 8.4497 8.4497 8.4895 8.4895 8.8384 8.8384 k = 0.0823-0.1291-0.2510 ( 4391 PWs) bands (ev): -34.8095 -34.8095 -34.8073 -34.8073 -16.0867 -16.0867 -16.0661 -16.0661 -15.7279 -15.7279 -15.6925 -15.6925 -15.6869 -15.6869 -15.6841 -15.6841 -8.5445 -8.5445 -2.3084 -2.3084 0.7597 0.7597 1.6370 1.6370 2.1362 2.1362 5.6212 5.6212 6.3527 6.3527 6.9236 6.9236 7.8971 7.8971 8.4826 8.4826 8.4955 8.4955 8.8939 8.8939 k = 0.0892-0.1399-0.2719 ( 4387 PWs) bands (ev): -34.8094 -34.8094 -34.8073 -34.8073 -16.0868 -16.0868 -16.0666 -16.0666 -15.7277 -15.7277 -15.6931 -15.6931 -15.6877 -15.6877 -15.6847 -15.6847 -8.5370 -8.5370 -2.2989 -2.2989 0.7620 0.7620 1.6065 1.6065 2.1092 2.1092 5.5971 5.5971 6.2729 6.2729 6.8932 6.8932 7.9480 7.9480 8.4950 8.4950 8.5237 8.5237 8.9486 8.9486 k = 0.0961-0.1506-0.2928 ( 4389 PWs) bands (ev): -34.8094 -34.8094 -34.8072 -34.8072 -16.0869 -16.0869 -16.0672 -16.0672 -15.7276 -15.7276 -15.6939 -15.6939 -15.6884 -15.6884 -15.6853 -15.6853 -8.5291 -8.5291 -2.2887 -2.2887 0.7629 0.7629 1.5758 1.5758 2.0823 2.0823 5.5728 5.5728 6.1937 6.1937 6.8619 6.8619 7.9981 7.9981 8.4993 8.4993 8.5616 8.5616 9.0016 9.0016 k = 0.1029-0.1614-0.3138 ( 4387 PWs) bands (ev): -34.8093 -34.8093 -34.8072 -34.8072 -16.0871 -16.0871 -16.0678 -16.0678 -15.7274 -15.7274 -15.6947 -15.6947 -15.6893 -15.6893 -15.6859 -15.6859 -8.5208 -8.5208 -2.2779 -2.2779 0.7618 0.7618 1.5455 1.5455 2.0554 2.0554 5.5485 5.5485 6.1153 6.1153 6.8298 6.8298 8.0473 8.0473 8.5030 8.5030 8.6014 8.6014 9.0523 9.0523 k = 0.1098-0.1722-0.3347 ( 4385 PWs) bands (ev): -34.8092 -34.8092 -34.8071 -34.8071 -16.0872 -16.0872 -16.0685 -16.0685 -15.7272 -15.7272 -15.6956 -15.6956 -15.6901 -15.6901 -15.6864 -15.6864 -8.5121 -8.5121 -2.2666 -2.2666 0.7583 0.7583 1.5164 1.5164 2.0286 2.0286 5.5245 5.5245 6.0382 6.0382 6.7969 6.7969 8.0956 8.0956 8.5064 8.5064 8.6427 8.6427 9.1005 9.1005 k = 0.1166-0.1829-0.3556 ( 4385 PWs) bands (ev): -34.8091 -34.8091 -34.8071 -34.8071 -16.0873 -16.0873 -16.0692 -16.0692 -15.7270 -15.7270 -15.6966 -15.6966 -15.6909 -15.6909 -15.6870 -15.6870 -8.5032 -8.5032 -2.2548 -2.2548 0.7521 0.7521 1.4892 1.4892 2.0019 2.0019 5.5009 5.5009 5.9628 5.9628 6.7634 6.7634 8.1430 8.1430 8.5094 8.5094 8.6852 8.6852 9.1463 9.1463 k = 0.1235-0.1937-0.3765 ( 4389 PWs) bands (ev): -34.8090 -34.8090 -34.8070 -34.8070 -16.0875 -16.0875 -16.0699 -16.0699 -15.7268 -15.7268 -15.6976 -15.6976 -15.6918 -15.6918 -15.6875 -15.6875 -8.4940 -8.4940 -2.2426 -2.2426 0.7427 0.7427 1.4645 1.4645 1.9752 1.9752 5.4781 5.4781 5.8893 5.8893 6.7291 6.7291 8.1896 8.1896 8.5123 8.5123 8.7287 8.7287 9.1896 9.1896 k = 0.1304-0.2045-0.3974 ( 4385 PWs) bands (ev): -34.8089 -34.8089 -34.8069 -34.8069 -16.0876 -16.0876 -16.0707 -16.0707 -15.7266 -15.7266 -15.6987 -15.6987 -15.6926 -15.6926 -15.6880 -15.6880 -8.4846 -8.4846 -2.2299 -2.2299 0.7301 0.7301 1.4427 1.4427 1.9486 1.9486 5.4561 5.4561 5.8181 5.8181 6.6940 6.6940 8.2353 8.2353 8.5149 8.5149 8.7732 8.7732 9.2299 9.2299 k = 0.1372-0.2152-0.4183 ( 4381 PWs) bands (ev): -34.8087 -34.8087 -34.8069 -34.8069 -16.0877 -16.0877 -16.0714 -16.0714 -15.7264 -15.7264 -15.6999 -15.6999 -15.6935 -15.6935 -15.6885 -15.6885 -8.4750 -8.4750 -2.2168 -2.2168 0.7142 0.7142 1.4241 1.4241 1.9220 1.9220 5.4351 5.4351 5.7494 5.7494 6.6581 6.6581 8.2801 8.2801 8.5177 8.5177 8.8184 8.8184 9.2668 9.2668 k = 0.1441-0.2260-0.4393 ( 4379 PWs) bands (ev): -34.8086 -34.8086 -34.8068 -34.8068 -16.0879 -16.0879 -16.0722 -16.0722 -15.7261 -15.7261 -15.7011 -15.7011 -15.6944 -15.6944 -15.6889 -15.6889 -8.4654 -8.4654 -2.2034 -2.2034 0.6950 0.6950 1.4087 1.4087 1.8956 1.8956 5.4152 5.4152 5.6836 5.6836 6.6214 6.6214 8.3240 8.3240 8.5209 8.5209 8.8642 8.8642 9.2994 9.2994 k = 0.1509-0.2367-0.4602 ( 4391 PWs) bands (ev): -34.8085 -34.8085 -34.8068 -34.8068 -16.0880 -16.0880 -16.0730 -16.0730 -15.7259 -15.7259 -15.7023 -15.7023 -15.6953 -15.6953 -15.6894 -15.6894 -8.4557 -8.4557 -2.1898 -2.1898 0.6730 0.6730 1.3963 1.3963 1.8693 1.8693 5.3963 5.3963 5.6210 5.6210 6.5837 6.5837 8.3670 8.3670 8.5250 8.5250 8.9104 8.9104 9.3275 9.3275 k = 0.1578-0.2475-0.4811 ( 4389 PWs) bands (ev): -34.8084 -34.8084 -34.8067 -34.8067 -16.0882 -16.0882 -16.0738 -16.0738 -15.7256 -15.7256 -15.7035 -15.7035 -15.6961 -15.6961 -15.6899 -15.6899 -8.4459 -8.4459 -2.1759 -2.1759 0.6485 0.6485 1.3863 1.3863 1.8435 1.8435 5.3784 5.3784 5.5621 5.5621 6.5450 6.5450 8.4088 8.4088 8.5306 8.5306 8.9571 8.9571 9.3512 9.3512 k = 0.1647-0.2583-0.5020 ( 4385 PWs) bands (ev): -34.8083 -34.8083 -34.8067 -34.8067 -16.0883 -16.0883 -16.0746 -16.0746 -15.7254 -15.7254 -15.7046 -15.7046 -15.6970 -15.6970 -15.6904 -15.6904 -8.4362 -8.4362 -2.1619 -2.1619 0.6222 0.6222 1.3783 1.3783 1.8182 1.8182 5.3611 5.3611 5.5076 5.5076 6.5052 6.5052 8.4490 8.4490 8.5386 8.5386 9.0041 9.0041 9.3711 9.3711 k = 0.1715-0.2690-0.5229 ( 4397 PWs) bands (ev): -34.8082 -34.8082 -34.8066 -34.8066 -16.0885 -16.0885 -16.0754 -16.0754 -15.7251 -15.7251 -15.7058 -15.7058 -15.6979 -15.6979 -15.6909 -15.6909 -8.4266 -8.4266 -2.1478 -2.1478 0.5947 0.5947 1.3715 1.3715 1.7937 1.7937 5.3432 5.3432 5.4589 5.4589 6.4643 6.4643 8.4863 8.4863 8.5507 8.5507 9.0514 9.0514 9.3879 9.3881 k = 0.1784-0.2798-0.5438 ( 4393 PWs) bands (ev): -34.8081 -34.8081 -34.8066 -34.8066 -16.0886 -16.0886 -16.0761 -16.0761 -15.7248 -15.7248 -15.7070 -15.7070 -15.6987 -15.6987 -15.6914 -15.6914 -8.4171 -8.4171 -2.1336 -2.1336 0.5664 0.5664 1.3652 1.3652 1.7704 1.7704 5.3228 5.3228 5.4181 5.4181 6.4223 6.4223 8.5185 8.5185 8.5696 8.5696 9.0988 9.0988 9.4026 9.4027 k = 0.1853-0.2905-0.5648 ( 4399 PWs) bands (ev): -34.8080 -34.8080 -34.8065 -34.8065 -16.0888 -16.0888 -16.0769 -16.0769 -15.7245 -15.7245 -15.7081 -15.7081 -15.6995 -15.6995 -15.6919 -15.6919 -8.4077 -8.4077 -2.1195 -2.1195 0.5380 0.5380 1.3586 1.3586 1.7486 1.7486 5.2974 5.2974 5.3880 5.3880 6.3792 6.3792 8.5440 8.5440 8.5971 8.5971 9.1463 9.1463 9.4155 9.4155 k = 0.1921-0.3013-0.5857 ( 4399 PWs) bands (ev): -34.8079 -34.8079 -34.8065 -34.8065 -16.0889 -16.0889 -16.0777 -16.0777 -15.7242 -15.7242 -15.7092 -15.7092 -15.7003 -15.7003 -15.6924 -15.6924 -8.3986 -8.3986 -2.1055 -2.1055 0.5099 0.5099 1.3509 1.3509 1.7287 1.7287 5.2668 5.2668 5.3689 5.3689 6.3351 6.3351 8.5660 8.5660 8.6304 8.6304 9.1938 9.1938 9.4272 9.4272 k = 0.1990-0.3121-0.6066 ( 4405 PWs) bands (ev): -34.8078 -34.8078 -34.8065 -34.8065 -16.0890 -16.0890 -16.0784 -16.0784 -15.7239 -15.7239 -15.7102 -15.7102 -15.7011 -15.7011 -15.6929 -15.6929 -8.3897 -8.3897 -2.0916 -2.0916 0.4827 0.4827 1.3414 1.3414 1.7110 1.7110 5.2341 5.2341 5.3579 5.3579 6.2899 6.2899 8.5883 8.5883 8.6657 8.6657 9.2413 9.2413 9.4380 9.4381 k = 0.2058-0.3228-0.6275 ( 4407 PWs) bands (ev): -34.8077 -34.8077 -34.8064 -34.8064 -16.0891 -16.0891 -16.0791 -16.0791 -15.7236 -15.7236 -15.7112 -15.7112 -15.7018 -15.7018 -15.6935 -15.6935 -8.3811 -8.3811 -2.0780 -2.0780 0.4567 0.4567 1.3297 1.3297 1.6958 1.6958 5.2021 5.2021 5.3523 5.3523 6.2438 6.2438 8.6129 8.6129 8.7012 8.7012 9.2887 9.2887 9.4485 9.4485 k = 0.2127-0.3336-0.6484 ( 4407 PWs) bands (ev): -34.8076 -34.8076 -34.8064 -34.8064 -16.0892 -16.0892 -16.0798 -16.0798 -15.7233 -15.7233 -15.7121 -15.7121 -15.7026 -15.7026 -15.6940 -15.6940 -8.3729 -8.3729 -2.0647 -2.0647 0.4323 0.4323 1.3153 1.3153 1.6834 1.6834 5.1723 5.1723 5.3505 5.3505 6.1971 6.1971 8.6404 8.6404 8.7360 8.7360 9.3357 9.3357 9.4588 9.4588 k = 0.2196-0.3443-0.6693 ( 4401 PWs) bands (ev): -34.8075 -34.8075 -34.8064 -34.8064 -16.0893 -16.0893 -16.0805 -16.0805 -15.7229 -15.7229 -15.7129 -15.7129 -15.7032 -15.7032 -15.6946 -15.6946 -8.3650 -8.3650 -2.0518 -2.0518 0.4096 0.4096 1.2981 1.2981 1.6736 1.6736 5.1457 5.1457 5.3516 5.3516 6.1497 6.1497 8.6709 8.6709 8.7699 8.7699 9.3816 9.3816 9.4697 9.4698 k = 0.2264-0.3551-0.6903 ( 4403 PWs) bands (ev): -34.8074 -34.8074 -34.8063 -34.8063 -16.0894 -16.0894 -16.0811 -16.0811 -15.7226 -15.7226 -15.7137 -15.7137 -15.7039 -15.7039 -15.6952 -15.6952 -8.3575 -8.3575 -2.0392 -2.0392 0.3890 0.3890 1.2784 1.2784 1.6663 1.6663 5.1227 5.1227 5.3553 5.3553 6.1019 6.1019 8.7043 8.7043 8.8026 8.8026 9.4245 9.4245 9.4825 9.4825 k = 0.2333-0.3659-0.7112 ( 4407 PWs) bands (ev): -34.8073 -34.8073 -34.8063 -34.8063 -16.0895 -16.0895 -16.0817 -16.0817 -15.7223 -15.7223 -15.7144 -15.7144 -15.7045 -15.7045 -15.6957 -15.6957 -8.3504 -8.3504 -2.0272 -2.0272 0.3705 0.3705 1.2562 1.2562 1.6611 1.6611 5.1034 5.1034 5.3612 5.3612 6.0540 6.0540 8.7398 8.7398 8.8342 8.8342 9.4572 9.4572 9.4680 9.4680 k = 0.2401-0.3766-0.7321 ( 4405 PWs) bands (ev): -34.8072 -34.8072 -34.8063 -34.8063 -16.0896 -16.0896 -16.0822 -16.0822 -15.7221 -15.7221 -15.7149 -15.7149 -15.7051 -15.7051 -15.6963 -15.6963 -8.3438 -8.3438 -2.0158 -2.0158 0.3544 0.3544 1.2321 1.2321 1.6577 1.6577 5.0881 5.0881 5.3691 5.3691 6.0061 6.0061 8.7765 8.7765 8.8650 8.8650 9.4260 9.4260 9.4762 9.4762 k = 0.2470-0.3874-0.7530 ( 4407 PWs) bands (ev): -34.8071 -34.8071 -34.8063 -34.8063 -16.0896 -16.0896 -16.0828 -16.0828 -15.7219 -15.7219 -15.7153 -15.7153 -15.7056 -15.7056 -15.6969 -15.6969 -8.3376 -8.3376 -2.0050 -2.0050 0.3407 0.3407 1.2065 1.2065 1.6556 1.6556 5.0768 5.0768 5.3786 5.3786 5.9584 5.9584 8.8124 8.8124 8.8956 8.8956 9.3885 9.3885 9.4852 9.4852 k = 0.2539-0.3981-0.7739 ( 4405 PWs) bands (ev): -34.8070 -34.8070 -34.8063 -34.8063 -16.0897 -16.0897 -16.0832 -16.0832 -15.7218 -15.7218 -15.7156 -15.7156 -15.7061 -15.7061 -15.6975 -15.6975 -8.3320 -8.3320 -1.9949 -1.9949 0.3295 0.3295 1.1799 1.1799 1.6545 1.6545 5.0696 5.0696 5.3896 5.3896 5.9113 5.9113 8.8450 8.8450 8.9270 8.9270 9.3567 9.3567 9.4892 9.4893 k = 0.2607-0.4089-0.7948 ( 4407 PWs) bands (ev): -34.8069 -34.8069 -34.8063 -34.8063 -16.0898 -16.0898 -16.0836 -16.0836 -15.7218 -15.7218 -15.7158 -15.7158 -15.7066 -15.7066 -15.6980 -15.6980 -8.3268 -8.3268 -1.9855 -1.9855 0.3206 0.3206 1.1527 1.1527 1.6540 1.6540 5.0665 5.0665 5.4017 5.4017 5.8650 5.8650 8.8713 8.8713 8.9594 8.9594 9.3332 9.3332 9.4879 9.4879 k = 0.2676-0.4197-0.8158 ( 4413 PWs) bands (ev): -34.8069 -34.8069 -34.8063 -34.8063 -16.0898 -16.0898 -16.0840 -16.0840 -15.7218 -15.7218 -15.7159 -15.7159 -15.7070 -15.7070 -15.6986 -15.6986 -8.3221 -8.3221 -1.9769 -1.9769 0.3142 0.3142 1.1255 1.1255 1.6539 1.6539 5.0676 5.0676 5.4146 5.4146 5.8198 5.8198 8.8897 8.8897 8.9909 8.9909 9.3208 9.3208 9.4795 9.4795 k = 0.2745-0.4304-0.8367 ( 4417 PWs) bands (ev): -34.8068 -34.8068 -34.8063 -34.8063 -16.0899 -16.0899 -16.0843 -16.0843 -15.7219 -15.7219 -15.7158 -15.7158 -15.7073 -15.7073 -15.6992 -15.6992 -8.3179 -8.3179 -1.9691 -1.9691 0.3099 0.3099 1.0986 1.0986 1.6539 1.6539 5.0727 5.0727 5.4277 5.4277 5.7762 5.7762 8.8994 8.8994 9.0175 9.0175 9.3229 9.3229 9.4620 9.4620 k = 0.2813-0.4412-0.8576 ( 4415 PWs) bands (ev): -34.8067 -34.8067 -34.8063 -34.8063 -16.0900 -16.0900 -16.0846 -16.0846 -15.7220 -15.7220 -15.7157 -15.7157 -15.7076 -15.7076 -15.6997 -15.6997 -8.3142 -8.3142 -1.9621 -1.9621 0.3076 0.3076 1.0726 1.0726 1.6540 1.6540 5.0819 5.0819 5.4405 5.4405 5.7348 5.7348 8.8995 8.8995 9.0357 9.0357 9.3419 9.3419 9.4350 9.4350 k = 0.2882-0.4519-0.8785 ( 4413 PWs) bands (ev): -34.8067 -34.8067 -34.8063 -34.8063 -16.0900 -16.0900 -16.0848 -16.0848 -15.7222 -15.7222 -15.7156 -15.7156 -15.7077 -15.7077 -15.7003 -15.7003 -8.3111 -8.3111 -1.9560 -1.9560 0.3071 0.3071 1.0478 1.0478 1.6539 1.6539 5.0951 5.0951 5.4520 5.4520 5.6963 5.6963 8.8884 8.8884 9.0455 9.0455 9.3764 9.3764 9.4016 9.4016 k = 0.2950-0.4627-0.8994 ( 4411 PWs) bands (ev): -34.8066 -34.8066 -34.8063 -34.8063 -16.0901 -16.0901 -16.0850 -16.0850 -15.7224 -15.7224 -15.7155 -15.7155 -15.7077 -15.7077 -15.7008 -15.7008 -8.3084 -8.3084 -1.9508 -1.9508 0.3080 0.3080 1.0249 1.0249 1.6537 1.6537 5.1122 5.1122 5.4608 5.4608 5.6623 5.6623 8.8638 8.8638 9.0499 9.0499 9.3649 9.3650 9.4251 9.4251 k = 0.3019-0.4735-0.9203 ( 4409 PWs) bands (ev): -34.8066 -34.8066 -34.8063 -34.8063 -16.0902 -16.0902 -16.0851 -16.0851 -15.7225 -15.7225 -15.7154 -15.7154 -15.7077 -15.7077 -15.7012 -15.7012 -8.3062 -8.3062 -1.9464 -1.9464 0.3098 0.3098 1.0043 1.0043 1.6532 1.6532 5.1329 5.1329 5.4647 5.4647 5.6348 5.6348 8.8241 8.8241 9.0527 9.0527 9.3335 9.3335 9.4807 9.4807 k = 0.3088-0.4842-0.9413 ( 4413 PWs) bands (ev): -34.8065 -34.8065 -34.8063 -34.8063 -16.0902 -16.0902 -16.0852 -16.0852 -15.7227 -15.7227 -15.7154 -15.7154 -15.7075 -15.7075 -15.7016 -15.7016 -8.3045 -8.3045 -1.9429 -1.9429 0.3122 0.3122 0.9867 0.9867 1.6525 1.6525 5.1572 5.1572 5.4609 5.4609 5.6168 5.6168 8.7695 8.7695 9.0566 9.0566 9.3088 9.3088 9.5413 9.5413 k = 0.3156-0.4950-0.9622 ( 4417 PWs) bands (ev): -34.8065 -34.8065 -34.8063 -34.8063 -16.0903 -16.0903 -16.0853 -16.0853 -15.7228 -15.7228 -15.7154 -15.7154 -15.7073 -15.7073 -15.7019 -15.7019 -8.3032 -8.3032 -1.9402 -1.9402 0.3144 0.3144 0.9724 0.9724 1.6516 1.6516 5.1846 5.1846 5.4484 5.4484 5.6093 5.6093 8.7021 8.7021 9.0634 9.0634 9.2913 9.2913 9.6041 9.6042 k = 0.3225-0.5057-0.9831 ( 4421 PWs) bands (ev): -34.8065 -34.8065 -34.8064 -34.8064 -16.0904 -16.0904 -16.0854 -16.0854 -15.7229 -15.7229 -15.7155 -15.7155 -15.7071 -15.7071 -15.7022 -15.7022 -8.3024 -8.3024 -1.9382 -1.9382 0.3161 0.3161 0.9622 0.9622 1.6504 1.6504 5.2143 5.2143 5.4296 5.4296 5.6105 5.6105 8.6250 8.6250 9.0740 9.0740 9.2796 9.2796 9.6670 9.6670 k = 0.3293-0.5165-1.0040 ( 4415 PWs) bands (ev): -34.8064 -34.8064 -34.8064 -34.8064 -16.0904 -16.0904 -16.0854 -16.0854 -15.7230 -15.7230 -15.7156 -15.7156 -15.7069 -15.7069 -15.7022 -15.7022 -8.3020 -8.3020 -1.9371 -1.9371 0.3165 0.3165 0.9564 0.9564 1.6492 1.6492 5.2448 5.2448 5.4093 5.4093 5.6170 5.6170 8.5412 8.5412 9.0889 9.0889 9.2718 9.2718 9.7276 9.7277 k = 0.3362-0.5273-1.0249 ( 4409 PWs) bands (ev): -34.8064 -34.8064 -34.8064 -34.8064 -16.0904 -16.0904 -16.0854 -16.0854 -15.7232 -15.7232 -15.7157 -15.7157 -15.7066 -15.7066 -15.7021 -15.7021 -8.3019 -8.3019 -1.9366 -1.9366 0.3153 0.3153 0.9555 0.9555 1.6479 1.6479 5.2716 5.2716 5.3941 5.3941 5.6265 5.6265 8.4530 8.4530 9.1082 9.1082 9.2664 9.2664 9.7809 9.7814 k = 0.3431-0.5380-1.0458 ( 4407 PWs) bands (ev): -34.8064 -34.8064 -34.8064 -34.8064 -16.0904 -16.0904 -16.0854 -16.0854 -15.7233 -15.7233 -15.7159 -15.7159 -15.7065 -15.7065 -15.7019 -15.7019 -8.3022 -8.3022 -1.9369 -1.9369 0.3121 0.3121 0.9596 0.9596 1.6466 1.6466 5.2847 5.2847 5.3954 5.3954 5.6373 5.6373 8.3623 8.3623 9.1319 9.1319 9.2620 9.2620 9.7821 9.7822 k = 0.6569-0.3922-0.9569 ( 4407 PWs) bands (ev): -34.8064 -34.8064 -34.8064 -34.8064 -16.0904 -16.0904 -16.0854 -16.0854 -15.7233 -15.7233 -15.7159 -15.7159 -15.7065 -15.7065 -15.7019 -15.7019 -8.3022 -8.3022 -1.9369 -1.9369 0.3121 0.3121 0.9596 0.9596 1.6466 1.6466 5.2847 5.2847 5.3954 5.3954 5.6373 5.6373 8.3623 8.3623 9.1319 9.1319 9.2620 9.2620 9.7821 9.7821 k = 0.6501-0.3688-0.9569 ( 4407 PWs) bands (ev): -34.8065 -34.8065 -34.8063 -34.8063 -16.0903 -16.0903 -16.0854 -16.0854 -15.7234 -15.7234 -15.7161 -15.7161 -15.7064 -15.7064 -15.7014 -15.7014 -8.3029 -8.3029 -1.9377 -1.9377 0.3067 0.3067 0.9687 0.9687 1.6455 1.6455 5.2780 5.2780 5.4196 5.4196 5.6487 5.6487 8.2708 8.2708 9.1596 9.1596 9.2578 9.2578 9.7716 9.7716 k = 0.6433-0.3454-0.9569 ( 4409 PWs) bands (ev): -34.8065 -34.8065 -34.8063 -34.8063 -16.0903 -16.0903 -16.0854 -16.0854 -15.7235 -15.7235 -15.7164 -15.7164 -15.7063 -15.7063 -15.7009 -15.7009 -8.3038 -8.3038 -1.9390 -1.9390 0.2992 0.2992 0.9825 0.9825 1.6448 1.6448 5.2604 5.2604 5.4580 5.4580 5.6605 5.6605 8.1788 8.1788 9.1904 9.1904 9.2536 9.2536 9.7557 9.7557 k = 0.6365-0.3220-0.9569 ( 4411 PWs) bands (ev): -34.8065 -34.8065 -34.8063 -34.8063 -16.0903 -16.0903 -16.0853 -16.0853 -15.7237 -15.7237 -15.7166 -15.7166 -15.7062 -15.7062 -15.7003 -15.7003 -8.3050 -8.3050 -1.9408 -1.9408 0.2896 0.2896 1.0006 1.0006 1.6445 1.6445 5.2392 5.2392 5.5027 5.5027 5.6730 5.6730 8.0869 8.0869 9.2187 9.2187 9.2538 9.2538 9.7345 9.7345 k = 0.6296-0.2986-0.9569 ( 4417 PWs) bands (ev): -34.8066 -34.8066 -34.8063 -34.8063 -16.0902 -16.0902 -16.0853 -16.0853 -15.7239 -15.7239 -15.7169 -15.7169 -15.7062 -15.7062 -15.6996 -15.6996 -8.3064 -8.3064 -1.9431 -1.9431 0.2783 0.2783 1.0224 1.0224 1.6448 1.6448 5.2174 5.2174 5.5497 5.5497 5.6870 5.6870 7.9957 7.9957 9.2233 9.2233 9.2781 9.2781 9.7083 9.7083 k = 0.6228-0.2752-0.9569 ( 4413 PWs) bands (ev): -34.8066 -34.8066 -34.8063 -34.8063 -16.0901 -16.0901 -16.0853 -16.0853 -15.7240 -15.7240 -15.7171 -15.7171 -15.7060 -15.7060 -15.6988 -15.6988 -8.3080 -8.3080 -1.9456 -1.9456 0.2656 0.2656 1.0471 1.0471 1.6461 1.6461 5.1959 5.1959 5.5952 5.5952 5.7051 5.7051 7.9055 7.9055 9.2114 9.2114 9.3180 9.3180 9.6781 9.6781 k = 0.6160-0.2518-0.9569 ( 4417 PWs) bands (ev): -34.8067 -34.8067 -34.8063 -34.8063 -16.0900 -16.0900 -16.0853 -16.0853 -15.7242 -15.7242 -15.7174 -15.7174 -15.7059 -15.7059 -15.6981 -15.6981 -8.3098 -8.3098 -1.9485 -1.9485 0.2518 0.2518 1.0739 1.0739 1.6485 1.6485 5.1754 5.1754 5.6334 5.6334 5.7322 5.7322 7.8165 7.8165 9.1925 9.1925 9.3624 9.3624 9.6451 9.6451 k = 0.6092-0.2284-0.9569 ( 4409 PWs) bands (ev): -34.8067 -34.8067 -34.8063 -34.8063 -16.0899 -16.0899 -16.0853 -16.0853 -15.7244 -15.7244 -15.7177 -15.7177 -15.7056 -15.7056 -15.6973 -15.6973 -8.3116 -8.3116 -1.9516 -1.9516 0.2373 0.2373 1.1021 1.1021 1.6523 1.6523 5.1560 5.1560 5.6593 5.6593 5.7729 5.7729 7.7292 7.7292 9.1675 9.1675 9.4086 9.4086 9.6110 9.6110 k = 0.6024-0.2050-0.9569 ( 4407 PWs) bands (ev): -34.8067 -34.8067 -34.8063 -34.8063 -16.0898 -16.0898 -16.0853 -16.0853 -15.7245 -15.7245 -15.7180 -15.7180 -15.7054 -15.7054 -15.6965 -15.6965 -8.3136 -8.3136 -1.9548 -1.9548 0.2225 0.2225 1.1307 1.1307 1.6577 1.6577 5.1378 5.1378 5.6753 5.6753 5.8245 5.8245 7.6436 7.6436 9.1364 9.1364 9.4553 9.4553 9.5773 9.5773 k = 0.5955-0.1817-0.9569 ( 4411 PWs) bands (ev): -34.8068 -34.8068 -34.8062 -34.8062 -16.0897 -16.0897 -16.0854 -16.0854 -15.7247 -15.7247 -15.7183 -15.7183 -15.7051 -15.7051 -15.6958 -15.6958 -8.3156 -8.3156 -1.9581 -1.9581 0.2076 0.2076 1.1589 1.1589 1.6650 1.6650 5.1209 5.1209 5.6859 5.6859 5.8819 5.8819 7.5601 7.5601 9.0993 9.0993 9.5006 9.5006 9.5451 9.5451 k = 0.5887-0.1583-0.9569 ( 4411 PWs) bands (ev): -34.8068 -34.8068 -34.8062 -34.8062 -16.0895 -16.0895 -16.0854 -16.0854 -15.7249 -15.7249 -15.7186 -15.7186 -15.7047 -15.7047 -15.6951 -15.6951 -8.3176 -8.3176 -1.9615 -1.9615 0.1928 0.1928 1.1859 1.1859 1.6745 1.6745 5.1053 5.1053 5.6937 5.6937 5.9423 5.9423 7.4788 7.4788 9.0571 9.0571 9.5151 9.5151 9.5427 9.5427 k = 0.5819-0.1349-0.9569 ( 4407 PWs) bands (ev): -34.8069 -34.8069 -34.8062 -34.8062 -16.0893 -16.0893 -16.0855 -16.0855 -15.7251 -15.7251 -15.7189 -15.7189 -15.7044 -15.7044 -15.6943 -15.6943 -8.3197 -8.3197 -1.9648 -1.9648 0.1784 0.1784 1.2111 1.2111 1.6862 1.6862 5.0910 5.0910 5.6998 5.6998 6.0042 6.0042 7.4002 7.4002 9.0111 9.0111 9.4872 9.4872 9.5788 9.5788 k = 0.5751-0.1115-0.9569 ( 4409 PWs) bands (ev): -34.8069 -34.8069 -34.8062 -34.8062 -16.0892 -16.0892 -16.0855 -16.0855 -15.7253 -15.7253 -15.7192 -15.7192 -15.7040 -15.7040 -15.6937 -15.6937 -8.3216 -8.3216 -1.9681 -1.9681 0.1647 0.1647 1.2339 1.2339 1.7001 1.7001 5.0780 5.0780 5.7047 5.7047 6.0666 6.0666 7.3244 7.3244 8.9630 8.9630 9.4612 9.4612 9.6065 9.6065 k = 0.5682-0.0881-0.9569 ( 4413 PWs) bands (ev): -34.8069 -34.8069 -34.8062 -34.8062 -16.0890 -16.0890 -16.0856 -16.0856 -15.7255 -15.7255 -15.7195 -15.7195 -15.7037 -15.7037 -15.6931 -15.6931 -8.3236 -8.3236 -1.9712 -1.9712 0.1517 0.1517 1.2539 1.2539 1.7160 1.7160 5.0663 5.0663 5.7088 5.7088 6.1287 6.1287 7.2516 7.2516 8.9142 8.9142 9.4364 9.4364 9.6241 9.6241 k = 0.5614-0.0647-0.9569 ( 4413 PWs) bands (ev): -34.8069 -34.8069 -34.8062 -34.8062 -16.0889 -16.0889 -16.0857 -16.0857 -15.7256 -15.7256 -15.7198 -15.7198 -15.7033 -15.7033 -15.6925 -15.6925 -8.3254 -8.3254 -1.9742 -1.9742 0.1395 0.1395 1.2711 1.2711 1.7335 1.7335 5.0558 5.0558 5.7122 5.7122 6.1900 6.1900 7.1823 7.1823 8.8663 8.8663 9.4128 9.4128 9.6319 9.6319 k = 0.5546-0.0413-0.9569 ( 4415 PWs) bands (ev): -34.8070 -34.8070 -34.8063 -34.8063 -16.0887 -16.0887 -16.0858 -16.0858 -15.7258 -15.7258 -15.7200 -15.7200 -15.7030 -15.7030 -15.6919 -15.6919 -8.3271 -8.3271 -1.9770 -1.9770 0.1284 0.1284 1.2855 1.2855 1.7520 1.7520 5.0465 5.0465 5.7151 5.7151 6.2499 6.2499 7.1165 7.1165 8.8206 8.8206 9.3900 9.3900 9.6321 9.6321 k = 0.5478-0.0179-0.9569 ( 4409 PWs) bands (ev): -34.8070 -34.8070 -34.8063 -34.8063 -16.0885 -16.0885 -16.0859 -16.0859 -15.7259 -15.7259 -15.7202 -15.7202 -15.7027 -15.7027 -15.6914 -15.6914 -8.3286 -8.3286 -1.9795 -1.9795 0.1184 0.1184 1.2972 1.2972 1.7707 1.7707 5.0384 5.0384 5.7175 5.7175 6.3078 6.3078 7.0546 7.0546 8.7781 8.7781 9.3682 9.3682 9.6272 9.6272 k = 0.5409 0.0055-0.9569 ( 4407 PWs) bands (ev): -34.8070 -34.8070 -34.8063 -34.8063 -16.0883 -16.0883 -16.0860 -16.0860 -15.7260 -15.7260 -15.7204 -15.7204 -15.7024 -15.7024 -15.6910 -15.6910 -8.3300 -8.3300 -1.9818 -1.9818 0.1095 0.1095 1.3066 1.3066 1.7889 1.7889 5.0314 5.0314 5.7195 5.7195 6.3632 6.3632 6.9968 6.9968 8.7396 8.7396 9.3476 9.3476 9.6197 9.6197 k = 0.5341 0.0289-0.9569 ( 4415 PWs) bands (ev): -34.8070 -34.8070 -34.8063 -34.8063 -16.0882 -16.0882 -16.0861 -16.0861 -15.7261 -15.7261 -15.7206 -15.7206 -15.7021 -15.7021 -15.6906 -15.6906 -8.3312 -8.3312 -1.9837 -1.9837 0.1019 0.1019 1.3139 1.3139 1.8059 1.8059 5.0255 5.0255 5.7212 5.7212 6.4155 6.4155 6.9432 6.9432 8.7060 8.7060 9.3288 9.3288 9.6111 9.6111 k = 0.5273 0.0523-0.9569 ( 4413 PWs) bands (ev): -34.8071 -34.8071 -34.8063 -34.8063 -16.0880 -16.0880 -16.0862 -16.0862 -15.7262 -15.7262 -15.7208 -15.7208 -15.7019 -15.7019 -15.6903 -15.6903 -8.3322 -8.3322 -1.9854 -1.9854 0.0957 0.0957 1.3194 1.3194 1.8209 1.8209 5.0208 5.0208 5.7225 5.7225 6.4642 6.4642 6.8942 6.8942 8.6777 8.6777 9.3122 9.3122 9.6029 9.6029 k = 0.5205 0.0757-0.9569 ( 4402 PWs) bands (ev): -34.8071 -34.8071 -34.8062 -34.8062 -16.0878 -16.0878 -16.0863 -16.0863 -15.7263 -15.7263 -15.7208 -15.7208 -15.7017 -15.7017 -15.6901 -15.6901 -8.3330 -8.3330 -1.9867 -1.9867 0.0907 0.0907 1.3234 1.3234 1.8332 1.8332 5.0171 5.0171 5.7235 5.7235 6.5084 6.5084 6.8502 6.8502 8.6552 8.6552 9.2986 9.2986 9.5958 9.5958 k = 0.5136 0.0991-0.9569 ( 4406 PWs) bands (ev): -34.8071 -34.8071 -34.8063 -34.8063 -16.0877 -16.0877 -16.0864 -16.0864 -15.7263 -15.7263 -15.7209 -15.7209 -15.7016 -15.7016 -15.6899 -15.6899 -8.3336 -8.3336 -1.9876 -1.9876 0.0872 0.0872 1.3262 1.3262 1.8424 1.8424 5.0145 5.0145 5.7242 5.7242 6.5462 6.5462 6.8128 6.8128 8.6389 8.6389 9.2884 9.2884 9.5903 9.5903 k = 0.5068 0.1225-0.9569 ( 4410 PWs) bands (ev): -34.8071 -34.8071 -34.8063 -34.8063 -16.0876 -16.0876 -16.0865 -16.0865 -15.7263 -15.7263 -15.7210 -15.7210 -15.7015 -15.7015 -15.6898 -15.6898 -8.3339 -8.3339 -1.9882 -1.9882 0.0851 0.0851 1.3278 1.3278 1.8480 1.8480 5.0129 5.0129 5.7246 5.7246 6.5739 6.5739 6.7854 6.7854 8.6290 8.6290 9.2820 9.2820 9.5868 9.5868 k = 0.5000 0.1458-0.9569 ( 4404 PWs) bands (ev): -34.8071 -34.8071 -34.8063 -34.8063 -16.0876 -16.0876 -16.0865 -16.0865 -15.7264 -15.7264 -15.7210 -15.7210 -15.7015 -15.7015 -15.6898 -15.6898 -8.3340 -8.3340 -1.9884 -1.9884 0.0843 0.0843 1.3283 1.3283 1.8499 1.8499 5.0124 5.0124 5.7248 5.7248 6.5846 6.5846 6.7748 6.7748 8.6257 8.6257 9.2799 9.2799 9.5857 9.5857 k = 0.5000 0.1458-0.9569 ( 4404 PWs) bands (ev): -34.8071 -34.8071 -34.8063 -34.8063 -16.0876 -16.0876 -16.0865 -16.0865 -15.7264 -15.7264 -15.7210 -15.7210 -15.7015 -15.7015 -15.6898 -15.6898 -8.3340 -8.3340 -1.9884 -1.9884 0.0843 0.0843 1.3283 1.3283 1.8499 1.8499 5.0124 5.0124 5.7248 5.7248 6.5846 6.5846 6.7748 6.7748 8.6257 8.6257 9.2799 9.2799 9.5857 9.5857 k = 0.5196 0.1516-0.9457 ( 4406 PWs) bands (ev): -34.8071 -34.8071 -34.8063 -34.8063 -16.0876 -16.0876 -16.0865 -16.0865 -15.7263 -15.7263 -15.7210 -15.7210 -15.7015 -15.7015 -15.6898 -15.6898 -8.3341 -8.3341 -1.9885 -1.9885 0.0847 0.0847 1.3284 1.3284 1.8500 1.8500 5.0112 5.0112 5.7221 5.7221 6.5845 6.5845 6.7783 6.7783 8.6283 8.6283 9.2815 9.2815 9.5860 9.5860 k = 0.5392 0.1573-0.9346 ( 4402 PWs) bands (ev): -34.8071 -34.8071 -34.8063 -34.8063 -16.0875 -16.0875 -16.0865 -16.0865 -15.7263 -15.7263 -15.7209 -15.7209 -15.7015 -15.7015 -15.6898 -15.6898 -8.3342 -8.3342 -1.9887 -1.9887 0.0857 0.0857 1.3287 1.3287 1.8502 1.8502 5.0078 5.0078 5.7144 5.7144 6.5844 6.5844 6.7886 6.7886 8.6361 8.6361 9.2864 9.2864 9.5871 9.5871 k = 0.5589 0.1630-0.9235 ( 4404 PWs) bands (ev): -34.8071 -34.8071 -34.8063 -34.8063 -16.0875 -16.0875 -16.0865 -16.0865 -15.7263 -15.7263 -15.7208 -15.7208 -15.7015 -15.7015 -15.6900 -15.6900 -8.3344 -8.3344 -1.9892 -1.9892 0.0873 0.0873 1.3293 1.3293 1.8506 1.8506 5.0022 5.0022 5.7018 5.7018 6.5842 6.5842 6.8053 6.8053 8.6489 8.6489 9.2945 9.2945 9.5889 9.5889 k = 0.5785 0.1687-0.9124 ( 4405 PWs) bands (ev): -34.8071 -34.8071 -34.8063 -34.8063 -16.0875 -16.0875 -16.0865 -16.0865 -15.7263 -15.7263 -15.7207 -15.7207 -15.7015 -15.7015 -15.6901 -15.6901 -8.3346 -8.3346 -1.9899 -1.9899 0.0896 0.0896 1.3300 1.3300 1.8511 1.8511 4.9945 4.9945 5.6850 5.6850 6.5841 6.5841 6.8278 6.8278 8.6662 8.6662 9.3057 9.3057 9.5914 9.5914 k = 0.5981 0.1745-0.9013 ( 4405 PWs) bands (ev): -34.8070 -34.8070 -34.8063 -34.8063 -16.0875 -16.0875 -16.0864 -16.0864 -15.7263 -15.7263 -15.7205 -15.7205 -15.7014 -15.7014 -15.6903 -15.6903 -8.3349 -8.3349 -1.9907 -1.9907 0.0925 0.0925 1.3310 1.3310 1.8517 1.8517 4.9850 4.9850 5.6646 5.6646 6.5840 6.5840 6.8555 6.8555 8.6877 8.6877 9.3197 9.3197 9.5946 9.5946 k = 0.6177 0.1802-0.8901 ( 4405 PWs) bands (ev): -34.8070 -34.8070 -34.8063 -34.8063 -16.0875 -16.0875 -16.0864 -16.0864 -15.7263 -15.7263 -15.7203 -15.7203 -15.7014 -15.7014 -15.6906 -15.6906 -8.3353 -8.3353 -1.9918 -1.9918 0.0961 0.0961 1.3321 1.3321 1.8525 1.8525 4.9739 4.9739 5.6414 5.6414 6.5840 6.5840 6.8876 6.8876 8.7125 8.7125 9.3364 9.3364 9.5986 9.5986 k = 0.6373 0.1859-0.8790 ( 4415 PWs) bands (ev): -34.8070 -34.8070 -34.8064 -34.8064 -16.0875 -16.0875 -16.0863 -16.0863 -15.7262 -15.7262 -15.7201 -15.7201 -15.7013 -15.7013 -15.6909 -15.6909 -8.3358 -8.3358 -1.9930 -1.9930 0.1002 0.1002 1.3334 1.3334 1.8533 1.8533 4.9614 4.9614 5.6159 5.6159 6.5841 6.5841 6.9234 6.9234 8.7398 8.7398 9.3555 9.3555 9.6033 9.6033 k = 0.6569 0.1916-0.8679 ( 4416 PWs) bands (ev): -34.8070 -34.8070 -34.8064 -34.8064 -16.0875 -16.0875 -16.0862 -16.0862 -15.7262 -15.7262 -15.7198 -15.7198 -15.7012 -15.7012 -15.6912 -15.6912 -8.3363 -8.3363 -1.9944 -1.9944 0.1049 0.1049 1.3348 1.3348 1.8543 1.8543 4.9479 4.9479 5.5890 5.5890 6.5842 6.5842 6.9624 6.9624 8.7687 8.7687 9.3769 9.3769 9.6087 9.6087 k = 0.6569 0.1916-0.8679 ( 4416 PWs) bands (ev): -34.8070 -34.8070 -34.8064 -34.8064 -16.0875 -16.0875 -16.0862 -16.0862 -15.7262 -15.7262 -15.7198 -15.7198 -15.7012 -15.7012 -15.6912 -15.6912 -8.3363 -8.3363 -1.9944 -1.9944 0.1049 0.1049 1.3348 1.3348 1.8543 1.8543 4.9479 4.9479 5.5890 5.5890 6.5842 6.5842 6.9624 6.9624 8.7687 8.7687 9.3769 9.3769 9.6087 9.6087 k = 0.6529 0.1904-0.8433 ( 4419 PWs) bands (ev): -34.8070 -34.8070 -34.8064 -34.8064 -16.0876 -16.0876 -16.0859 -16.0859 -15.7263 -15.7263 -15.7195 -15.7195 -15.7010 -15.7010 -15.6913 -15.6913 -8.3385 -8.3385 -1.9979 -1.9979 0.1136 0.1136 1.3347 1.3347 1.8549 1.8549 4.9649 4.9649 5.5978 5.5978 6.5883 6.5883 6.9509 6.9509 8.7758 8.7758 9.3593 9.3593 9.5908 9.5908 k = 0.6489 0.1893-0.8188 ( 4422 PWs) bands (ev): -34.8070 -34.8070 -34.8065 -34.8065 -16.0877 -16.0877 -16.0855 -16.0855 -15.7263 -15.7263 -15.7190 -15.7190 -15.7008 -15.7008 -15.6914 -15.6914 -8.3415 -8.3415 -2.0029 -2.0029 0.1259 0.1259 1.3350 1.3350 1.8560 1.8560 4.9855 4.9855 5.6047 5.6047 6.5931 6.5931 6.9425 6.9425 8.7865 8.7865 9.3357 9.3357 9.5734 9.5734 k = 0.6449 0.1881-0.7943 ( 4426 PWs) bands (ev): -34.8070 -34.8070 -34.8065 -34.8065 -16.0877 -16.0877 -16.0851 -16.0851 -15.7262 -15.7262 -15.7185 -15.7185 -15.7005 -15.7005 -15.6914 -15.6914 -8.3451 -8.3451 -2.0092 -2.0092 0.1417 0.1417 1.3355 1.3355 1.8577 1.8577 5.0097 5.0097 5.6092 5.6092 6.5985 6.5985 6.9376 6.9376 8.8005 8.8005 9.3075 9.3075 9.5566 9.5566 k = 0.6408 0.1869-0.7697 ( 4424 PWs) bands (ev): -34.8071 -34.8071 -34.8065 -34.8065 -16.0877 -16.0877 -16.0847 -16.0847 -15.7261 -15.7261 -15.7180 -15.7180 -15.7002 -15.7002 -15.6915 -15.6915 -8.3495 -8.3495 -2.0170 -2.0170 0.1609 0.1609 1.3364 1.3364 1.8599 1.8599 5.0373 5.0373 5.6112 5.6112 6.6046 6.6046 6.9366 6.9366 8.8172 8.8172 9.2761 9.2761 9.5407 9.5407 k = 0.6368 0.1858-0.7452 ( 4422 PWs) bands (ev): -34.8071 -34.8071 -34.8066 -34.8066 -16.0876 -16.0876 -16.0842 -16.0842 -15.7260 -15.7260 -15.7174 -15.7174 -15.6999 -15.6999 -15.6915 -15.6915 -8.3545 -8.3545 -2.0260 -2.0260 0.1834 0.1834 1.3377 1.3377 1.8628 1.8628 5.0681 5.0681 5.6104 5.6104 6.6114 6.6114 6.9398 6.9398 8.8359 8.8359 9.2432 9.2432 9.5255 9.5255 k = 0.6328 0.1846-0.7207 ( 4426 PWs) bands (ev): -34.8071 -34.8071 -34.8066 -34.8066 -16.0876 -16.0876 -16.0837 -16.0837 -15.7258 -15.7258 -15.7167 -15.7167 -15.6996 -15.6996 -15.6915 -15.6915 -8.3602 -8.3602 -2.0362 -2.0362 0.2089 0.2089 1.3394 1.3394 1.8664 1.8664 5.1019 5.1019 5.6070 5.6070 6.6186 6.6186 6.9475 6.9475 8.8560 8.8560 9.2101 9.2101 9.5112 9.5112 k = 0.6288 0.1834-0.6961 ( 4407 PWs) bands (ev): -34.8072 -34.8072 -34.8067 -34.8067 -16.0874 -16.0874 -16.0831 -16.0831 -15.7256 -15.7256 -15.7160 -15.7160 -15.6991 -15.6991 -15.6914 -15.6914 -8.3664 -8.3664 -2.0476 -2.0476 0.2375 0.2375 1.3417 1.3417 1.8708 1.8708 5.1384 5.1384 5.6008 5.6008 6.6263 6.6263 6.9601 6.9601 8.8763 8.8763 9.1786 9.1786 9.4979 9.4979 k = 0.6247 0.1822-0.6716 ( 4406 PWs) bands (ev): -34.8072 -34.8072 -34.8068 -34.8068 -16.0872 -16.0872 -16.0825 -16.0825 -15.7253 -15.7253 -15.7153 -15.7153 -15.6987 -15.6987 -15.6914 -15.6914 -8.3732 -8.3732 -2.0601 -2.0601 0.2687 0.2687 1.3445 1.3445 1.8761 1.8761 5.1770 5.1770 5.5924 5.5924 6.6345 6.6345 6.9775 6.9775 8.8954 8.8954 9.1501 9.1502 9.4856 9.4856 k = 0.6207 0.1811-0.6471 ( 4407 PWs) bands (ev): -34.8073 -34.8073 -34.8068 -34.8068 -16.0870 -16.0870 -16.0819 -16.0819 -15.7250 -15.7250 -15.7145 -15.7145 -15.6983 -15.6983 -15.6913 -15.6913 -8.3805 -8.3805 -2.0735 -2.0735 0.3025 0.3025 1.3481 1.3481 1.8821 1.8821 5.2171 5.2171 5.5824 5.5824 6.6431 6.6431 6.9998 6.9998 8.9115 8.9115 9.1270 9.1270 9.4741 9.4741 k = 0.6167 0.1799-0.6225 ( 4403 PWs) bands (ev): -34.8073 -34.8073 -34.8069 -34.8069 -16.0868 -16.0868 -16.0813 -16.0813 -15.7247 -15.7247 -15.7137 -15.7137 -15.6978 -15.6978 -15.6912 -15.6912 -8.3883 -8.3883 -2.0878 -2.0878 0.3385 0.3385 1.3524 1.3524 1.8890 1.8890 5.2574 5.2574 5.5719 5.5719 6.6519 6.6519 7.0269 7.0269 8.9221 8.9221 9.1116 9.1116 9.4634 9.4634 k = 0.6127 0.1787-0.5980 ( 4406 PWs) bands (ev): -34.8074 -34.8074 -34.8070 -34.8070 -16.0865 -16.0865 -16.0807 -16.0807 -15.7244 -15.7244 -15.7130 -15.7130 -15.6973 -15.6973 -15.6911 -15.6911 -8.3965 -8.3965 -2.1029 -2.1029 0.3765 0.3765 1.3577 1.3577 1.8969 1.8969 5.2956 5.2956 5.5634 5.5634 6.6611 6.6611 7.0587 7.0587 8.9249 8.9249 9.1064 9.1064 9.4532 9.4532 k = 0.6086 0.1775-0.5735 ( 4404 PWs) bands (ev): -34.8075 -34.8075 -34.8070 -34.8070 -16.0863 -16.0863 -16.0801 -16.0801 -15.7240 -15.7240 -15.7122 -15.7122 -15.6967 -15.6967 -15.6910 -15.6910 -8.4050 -8.4050 -2.1186 -2.1186 0.4160 0.4160 1.3641 1.3641 1.9056 1.9056 5.3279 5.3279 5.5609 5.5609 6.6704 6.6704 7.0949 7.0949 8.9196 8.9196 9.1114 9.1114 9.4430 9.4430 k = 0.6046 0.1764-0.5489 ( 4403 PWs) bands (ev): -34.8076 -34.8076 -34.8071 -34.8071 -16.0859 -16.0859 -16.0795 -16.0795 -15.7236 -15.7236 -15.7114 -15.7114 -15.6961 -15.6961 -15.6908 -15.6908 -8.4138 -8.4138 -2.1349 -2.1349 0.4569 0.4569 1.3718 1.3718 1.9152 1.9152 5.3482 5.3482 5.5702 5.5702 6.6799 6.6799 7.1351 7.1351 8.9085 8.9085 9.1244 9.1244 9.4315 9.4315 k = 0.6006 0.1752-0.5244 ( 4406 PWs) bands (ev): -34.8076 -34.8076 -34.8072 -34.8072 -16.0856 -16.0856 -16.0789 -16.0789 -15.7232 -15.7232 -15.7106 -15.7106 -15.6955 -15.6955 -15.6906 -15.6906 -8.4229 -8.4229 -2.1517 -2.1517 0.4986 0.4986 1.3809 1.3809 1.9257 1.9257 5.3527 5.3527 5.5957 5.5957 6.6896 6.6896 7.1791 7.1791 8.8943 8.8943 9.1425 9.1425 9.4164 9.4164 k = 0.5966 0.1740-0.4999 ( 4398 PWs) bands (ev): -34.8077 -34.8077 -34.8072 -34.8072 -16.0852 -16.0852 -16.0783 -16.0783 -15.7228 -15.7228 -15.7098 -15.7098 -15.6948 -15.6948 -15.6904 -15.6904 -8.4322 -8.4322 -2.1687 -2.1687 0.5407 0.5407 1.3918 1.3918 1.9371 1.9371 5.3429 5.3429 5.6356 5.6356 6.6993 6.6993 7.2263 7.2263 8.8790 8.8790 9.1636 9.1636 9.3936 9.3936 k = 0.5926 0.1728-0.4753 ( 4399 PWs) bands (ev): -34.8078 -34.8078 -34.8073 -34.8073 -16.0848 -16.0848 -16.0777 -16.0777 -15.7224 -15.7224 -15.7090 -15.7090 -15.6942 -15.6942 -15.6901 -15.6901 -8.4417 -8.4417 -2.1861 -2.1861 0.5827 0.5827 1.4047 1.4047 1.9493 1.9493 5.3233 5.3233 5.6856 5.6856 6.7091 6.7091 7.2763 7.2763 8.8633 8.8633 9.1863 9.1863 9.3603 9.3603 k = 0.5885 0.1717-0.4508 ( 4404 PWs) bands (ev): -34.8079 -34.8079 -34.8074 -34.8074 -16.0845 -16.0845 -16.0771 -16.0771 -15.7220 -15.7220 -15.7083 -15.7083 -15.6934 -15.6934 -15.6898 -15.6898 -8.4512 -8.4512 -2.2035 -2.2035 0.6242 0.6242 1.4198 1.4198 1.9624 1.9624 5.2977 5.2977 5.7419 5.7419 6.7188 6.7188 7.3284 7.3284 8.8472 8.8472 9.2098 9.2098 9.3183 9.3183 k = 0.5845 0.1705-0.4263 ( 4403 PWs) bands (ev): -34.8080 -34.8080 -34.8075 -34.8075 -16.0841 -16.0841 -16.0765 -16.0765 -15.7216 -15.7216 -15.7076 -15.7076 -15.6927 -15.6927 -15.6894 -15.6894 -8.4608 -8.4608 -2.2210 -2.2210 0.6645 0.6645 1.4375 1.4375 1.9763 1.9763 5.2684 5.2684 5.8023 5.8023 6.7284 6.7284 7.3822 7.3822 8.8298 8.8298 9.2326 9.2326 9.2722 9.2722 k = 0.5805 0.1693-0.4017 ( 4394 PWs) bands (ev): -34.8080 -34.8080 -34.8076 -34.8076 -16.0836 -16.0836 -16.0759 -16.0759 -15.7212 -15.7212 -15.7070 -15.7070 -15.6919 -15.6919 -15.6890 -15.6890 -8.4703 -8.4703 -2.2385 -2.2385 0.7032 0.7032 1.4580 1.4580 1.9911 1.9911 5.2365 5.2365 5.8655 5.8655 6.7378 6.7378 7.4369 7.4369 8.8091 8.8091 9.2222 9.2222 9.2527 9.2527 k = 0.5765 0.1681-0.3772 ( 4397 PWs) bands (ev): -34.8081 -34.8081 -34.8076 -34.8076 -16.0832 -16.0832 -16.0753 -16.0753 -15.7208 -15.7208 -15.7064 -15.7064 -15.6911 -15.6911 -15.6886 -15.6886 -8.4798 -8.4798 -2.2557 -2.2557 0.7398 0.7398 1.4813 1.4813 2.0066 2.0066 5.2029 5.2029 5.9306 5.9306 6.7471 6.7471 7.4916 7.4916 8.7823 8.7823 9.1747 9.1747 9.2309 9.2309 k = 0.5724 0.1670-0.3526 ( 4389 PWs) bands (ev): -34.8082 -34.8082 -34.8077 -34.8077 -16.0828 -16.0828 -16.0748 -16.0748 -15.7205 -15.7205 -15.7058 -15.7058 -15.6903 -15.6903 -15.6881 -15.6881 -8.4891 -8.4891 -2.2727 -2.2727 0.7739 0.7739 1.5076 1.5076 2.0230 2.0230 5.1682 5.1682 5.9969 5.9969 6.7562 6.7562 7.5453 7.5453 8.7461 8.7461 9.1280 9.1280 9.1823 9.1823 k = 0.5684 0.1658-0.3281 ( 4381 PWs) bands (ev): -34.8083 -34.8083 -34.8078 -34.8078 -16.0824 -16.0824 -16.0742 -16.0742 -15.7201 -15.7201 -15.7053 -15.7053 -15.6894 -15.6894 -15.6876 -15.6876 -8.4983 -8.4983 -2.2893 -2.2893 0.8051 0.8051 1.5368 1.5368 2.0401 2.0401 5.1326 5.1326 6.0638 6.0638 6.7650 6.7650 7.5968 7.5968 8.6993 8.6993 9.0828 9.0828 9.1480 9.1480 k = 0.5644 0.1646-0.3036 ( 4387 PWs) bands (ev): -34.8084 -34.8084 -34.8078 -34.8078 -16.0820 -16.0820 -16.0738 -16.0738 -15.7198 -15.7198 -15.7048 -15.7048 -15.6886 -15.6886 -15.6871 -15.6871 -8.5072 -8.5072 -2.3055 -2.3055 0.8333 0.8333 1.5686 1.5686 2.0582 2.0582 5.0966 5.0966 6.1310 6.1310 6.7735 6.7735 7.6445 7.6445 8.6440 8.6440 9.0392 9.0392 9.1327 9.1327 k = 0.5604 0.1635-0.2790 ( 4379 PWs) bands (ev): -34.8085 -34.8085 -34.8079 -34.8079 -16.0815 -16.0815 -16.0733 -16.0733 -15.7195 -15.7195 -15.7044 -15.7044 -15.6878 -15.6878 -15.6865 -15.6865 -8.5159 -8.5159 -2.3212 -2.3212 0.8584 0.8584 1.6026 1.6026 2.0772 2.0772 5.0604 5.0604 6.1977 6.1977 6.7817 6.7817 7.6866 7.6866 8.5852 8.5852 8.9972 8.9972 9.1345 9.1345 k = 0.5563 0.1623-0.2545 ( 4383 PWs) bands (ev): -34.8085 -34.8085 -34.8080 -34.8080 -16.0812 -16.0812 -16.0728 -16.0728 -15.7192 -15.7192 -15.7040 -15.7040 -15.6870 -15.6870 -15.6859 -15.6859 -8.5242 -8.5242 -2.3362 -2.3362 0.8805 0.8805 1.6381 1.6381 2.0971 2.0971 5.0242 5.0242 6.2636 6.2636 6.7896 6.7896 7.7206 7.7206 8.5288 8.5288 8.9573 8.9573 9.1502 9.1502 k = 0.5523 0.1611-0.2300 ( 4392 PWs) bands (ev): -34.8086 -34.8086 -34.8081 -34.8081 -16.0808 -16.0808 -16.0724 -16.0724 -15.7190 -15.7190 -15.7037 -15.7037 -15.6862 -15.6862 -15.6854 -15.6854 -8.5321 -8.5321 -2.3506 -2.3506 0.8997 0.8997 1.6745 1.6745 2.1181 2.1181 4.9883 4.9883 6.3281 6.3281 6.7973 6.7973 7.7441 7.7441 8.4805 8.4805 8.9195 8.9195 9.1771 9.1771 k = 0.5483 0.1599-0.2054 ( 4385 PWs) bands (ev): -34.8087 -34.8087 -34.8081 -34.8081 -16.0804 -16.0804 -16.0720 -16.0720 -15.7187 -15.7187 -15.7034 -15.7034 -15.6855 -15.6855 -15.6848 -15.6848 -8.5397 -8.5397 -2.3642 -2.3642 0.9162 0.9162 1.7109 1.7109 2.1401 2.1401 4.9529 4.9529 6.3905 6.3905 6.8047 6.8047 7.7546 7.7546 8.4447 8.4447 8.8842 8.8842 9.2129 9.2129 k = 0.5443 0.1588-0.1809 ( 4383 PWs) bands (ev): -34.8088 -34.8088 -34.8082 -34.8082 -16.0801 -16.0801 -16.0717 -16.0717 -15.7185 -15.7185 -15.7031 -15.7031 -15.6848 -15.6848 -15.6843 -15.6843 -8.5468 -8.5468 -2.3769 -2.3769 0.9303 0.9303 1.7465 1.7465 2.1633 2.1633 4.9183 4.9183 6.4503 6.4503 6.8119 6.8119 7.7510 7.7510 8.4243 8.4243 8.8513 8.8513 9.2554 9.2554 k = 0.5402 0.1576-0.1564 ( 4385 PWs) bands (ev): -34.8088 -34.8088 -34.8082 -34.8082 -16.0798 -16.0798 -16.0713 -16.0713 -15.7183 -15.7183 -15.7029 -15.7029 -15.6841 -15.6841 -15.6837 -15.6837 -8.5533 -8.5533 -2.3888 -2.3888 0.9423 0.9423 1.7804 1.7804 2.1874 2.1874 4.8847 4.8847 6.5068 6.5068 6.8190 6.8190 7.7342 7.7342 8.4194 8.4194 8.8211 8.8211 9.3018 9.3018 k = 0.5362 0.1564-0.1318 ( 4387 PWs) bands (ev): -34.8089 -34.8089 -34.8083 -34.8083 -16.0795 -16.0795 -16.0710 -16.0710 -15.7181 -15.7181 -15.7027 -15.7027 -15.6835 -15.6835 -15.6832 -15.6832 -8.5594 -8.5594 -2.3997 -2.3997 0.9524 0.9524 1.8119 1.8119 2.2123 2.2123 4.8525 4.8525 6.5593 6.5593 6.8262 6.8262 7.7072 7.7072 8.4282 8.4282 8.7935 8.7935 9.3464 9.3465 k = 0.5322 0.1552-0.1073 ( 4396 PWs) bands (ev): -34.8089 -34.8089 -34.8083 -34.8083 -16.0792 -16.0792 -16.0708 -16.0708 -15.7180 -15.7180 -15.7025 -15.7025 -15.6829 -15.6829 -15.6827 -15.6827 -8.5649 -8.5649 -2.4096 -2.4096 0.9608 0.9608 1.8405 1.8405 2.2376 2.2376 4.8220 4.8220 6.6068 6.6068 6.8337 6.8337 7.6741 7.6741 8.4477 8.4477 8.7686 8.7686 9.3760 9.3760 k = 0.5282 0.1541-0.0828 ( 4398 PWs) bands (ev): -34.8090 -34.8090 -34.8084 -34.8084 -16.0790 -16.0790 -16.0706 -16.0706 -15.7179 -15.7179 -15.7024 -15.7024 -15.6824 -15.6824 -15.6823 -15.6823 -8.5699 -8.5699 -2.4185 -2.4185 0.9678 0.9678 1.8658 1.8658 2.2627 2.2627 4.7937 4.7937 6.6488 6.6488 6.8417 6.8417 7.6384 7.6384 8.4749 8.4749 8.7465 8.7465 9.3691 9.3691 k = 0.5241 0.1529-0.0582 ( 4394 PWs) bands (ev): -34.8090 -34.8090 -34.8084 -34.8084 -16.0788 -16.0788 -16.0703 -16.0703 -15.7177 -15.7177 -15.7023 -15.7023 -15.6820 -15.6820 -15.6818 -15.6818 -8.5742 -8.5742 -2.4263 -2.4263 0.9736 0.9736 1.8875 1.8875 2.2869 2.2869 4.7678 4.7678 6.6843 6.6843 6.8504 6.8504 7.6033 7.6033 8.5072 8.5072 8.7273 8.7273 9.3329 9.3329 k = 0.5201 0.1517-0.0337 ( 4392 PWs) bands (ev): -34.8091 -34.8091 -34.8084 -34.8084 -16.0786 -16.0786 -16.0702 -16.0702 -15.7176 -15.7176 -15.7022 -15.7022 -15.6816 -15.6816 -15.6814 -15.6814 -8.5779 -8.5779 -2.4329 -2.4329 0.9782 0.9782 1.9057 1.9057 2.3094 2.3094 4.7450 4.7450 6.7130 6.7130 6.8599 6.8599 7.5710 7.5710 8.5426 8.5426 8.7110 8.7110 9.2860 9.2860 k = 0.5161 0.1505-0.0092 ( 4390 PWs) bands (ev): -34.8091 -34.8091 -34.8085 -34.8085 -16.0784 -16.0784 -16.0700 -16.0700 -15.7175 -15.7175 -15.7021 -15.7021 -15.6813 -15.6813 -15.6811 -15.6811 -8.5809 -8.5809 -2.4384 -2.4384 0.9818 0.9818 1.9204 1.9204 2.3293 2.3293 4.7255 4.7255 6.7347 6.7347 6.8697 6.8697 7.5429 7.5429 8.5789 8.5789 8.6977 8.6977 9.2372 9.2372 k = 0.5121 0.1494 0.0154 ( 4392 PWs) bands (ev): -34.8091 -34.8091 -34.8085 -34.8085 -16.0783 -16.0783 -16.0699 -16.0699 -15.7175 -15.7175 -15.7020 -15.7020 -15.6811 -15.6811 -15.6809 -15.6809 -8.5833 -8.5833 -2.4427 -2.4427 0.9845 0.9845 1.9317 1.9317 2.3458 2.3458 4.7099 4.7099 6.7502 6.7502 6.8791 6.8791 7.5203 7.5203 8.6135 8.6135 8.6876 8.6876 9.1914 9.1914 k = 0.5080 0.1482 0.0399 ( 4392 PWs) bands (ev): -34.8091 -34.8091 -34.8085 -34.8085 -16.0782 -16.0782 -16.0698 -16.0698 -15.7174 -15.7174 -15.7020 -15.7020 -15.6809 -15.6809 -15.6807 -15.6807 -8.5850 -8.5850 -2.4457 -2.4457 0.9864 0.9864 1.9396 1.9396 2.3582 2.3582 4.6984 4.6984 6.7602 6.7602 6.8869 6.8869 7.5038 7.5038 8.6427 8.6427 8.6810 8.6810 9.1529 9.1529 k = 0.5040 0.1470 0.0644 ( 4388 PWs) bands (ev): -34.8091 -34.8091 -34.8085 -34.8085 -16.0781 -16.0781 -16.0698 -16.0698 -15.7174 -15.7174 -15.7020 -15.7020 -15.6808 -15.6808 -15.6805 -15.6805 -8.5861 -8.5861 -2.4476 -2.4476 0.9875 0.9875 1.9443 1.9443 2.3658 2.3658 4.6914 4.6914 6.7658 6.7658 6.8921 6.8921 7.4937 7.4937 8.6607 8.6607 8.6795 8.6795 9.1267 9.1267 k = 0.5000 0.1458 0.0890 ( 4380 PWs) bands (ev): -34.8091 -34.8091 -34.8085 -34.8085 -16.0781 -16.0781 -16.0697 -16.0697 -15.7174 -15.7174 -15.7019 -15.7019 -15.6807 -15.6807 -15.6805 -15.6805 -8.5864 -8.5864 -2.4482 -2.4482 0.9879 0.9879 1.9459 1.9459 2.3684 2.3684 4.6891 4.6891 6.7676 6.7676 6.8938 6.8938 7.4903 7.4903 8.6650 8.6650 8.6815 8.6815 9.1172 9.1172 k = 0.5000-0.7842-0.4784 ( 4388 PWs) bands (ev): -34.8068 -34.8068 -34.8065 -34.8065 -16.0873 -16.0873 -16.0858 -16.0858 -15.7243 -15.7243 -15.7188 -15.7188 -15.7003 -15.7003 -15.6961 -15.6961 -8.3342 -8.3342 -2.0024 -2.0024 0.1434 0.1434 1.3597 1.3597 1.8689 1.8689 4.6613 4.6613 5.2577 5.2577 6.5642 6.5642 7.5912 7.5912 8.7580 8.7580 9.9330 9.9330 9.9648 9.9648 k = 0.5209-0.7744-0.4725 ( 4386 PWs) bands (ev): -34.8068 -34.8068 -34.8065 -34.8065 -16.0873 -16.0873 -16.0858 -16.0858 -15.7243 -15.7243 -15.7188 -15.7188 -15.7003 -15.7003 -15.6960 -15.6960 -8.3342 -8.3342 -2.0023 -2.0023 0.1431 0.1431 1.3595 1.3595 1.8687 1.8687 4.6632 4.6632 5.2594 5.2594 6.5643 6.5643 7.5864 7.5864 8.7615 8.7615 9.9262 9.9262 9.9602 9.9602 k = 0.5418-0.7647-0.4666 ( 4390 PWs) bands (ev): -34.8068 -34.8068 -34.8065 -34.8065 -16.0873 -16.0873 -16.0859 -16.0859 -15.7244 -15.7244 -15.7188 -15.7188 -15.7004 -15.7004 -15.6959 -15.6959 -8.3342 -8.3342 -2.0021 -2.0021 0.1422 0.1422 1.3590 1.3590 1.8684 1.8684 4.6689 4.6689 5.2644 5.2644 6.5648 6.5648 7.5723 7.5723 8.7716 8.7716 9.9066 9.9066 9.9471 9.9471 k = 0.5628-0.7550-0.4606 ( 4394 PWs) bands (ev): -34.8068 -34.8068 -34.8065 -34.8065 -16.0874 -16.0874 -16.0859 -16.0859 -15.7245 -15.7245 -15.7188 -15.7188 -15.7005 -15.7005 -15.6956 -15.6956 -8.3343 -8.3343 -2.0018 -2.0018 0.1407 0.1407 1.3581 1.3581 1.8678 1.8678 4.6783 4.6783 5.2726 5.2726 6.5654 6.5654 7.5495 7.5495 8.7872 8.7872 9.8756 9.8756 9.9271 9.9271 k = 0.5837-0.7453-0.4547 ( 4393 PWs) bands (ev): -34.8068 -34.8068 -34.8065 -34.8065 -16.0874 -16.0874 -16.0859 -16.0859 -15.7246 -15.7246 -15.7188 -15.7188 -15.7006 -15.7006 -15.6953 -15.6953 -8.3343 -8.3343 -2.0013 -2.0013 0.1388 0.1388 1.3569 1.3569 1.8671 1.8671 4.6911 4.6911 5.2841 5.2841 6.5663 6.5663 7.5190 7.5190 8.8069 8.8069 9.8356 9.8356 9.9019 9.9019 k = 0.6046-0.7355-0.4488 ( 4385 PWs) bands (ev): -34.8068 -34.8068 -34.8065 -34.8065 -16.0873 -16.0873 -16.0859 -16.0859 -15.7247 -15.7247 -15.7188 -15.7188 -15.7007 -15.7007 -15.6950 -15.6950 -8.3344 -8.3344 -2.0008 -2.0008 0.1363 0.1363 1.3554 1.3554 1.8661 1.8661 4.7071 4.7071 5.2989 5.2989 6.5675 6.5675 7.4819 7.4819 8.8284 8.8284 9.7893 9.7893 9.8731 9.8731 k = 0.6255-0.7258-0.4428 ( 4394 PWs) bands (ev): -34.8068 -34.8068 -34.8065 -34.8065 -16.0874 -16.0874 -16.0860 -16.0860 -15.7249 -15.7249 -15.7189 -15.7189 -15.7009 -15.7009 -15.6946 -15.6946 -8.3345 -8.3345 -2.0001 -2.0001 0.1335 0.1335 1.3537 1.3537 1.8651 1.8651 4.7260 4.7260 5.3169 5.3169 6.5688 6.5688 7.4393 7.4393 8.8494 8.8494 9.7395 9.7395 9.8423 9.8423 k = 0.6465-0.7161-0.4369 ( 4391 PWs) bands (ev): -34.8069 -34.8069 -34.8065 -34.8065 -16.0873 -16.0873 -16.0860 -16.0860 -15.7250 -15.7250 -15.7189 -15.7189 -15.7010 -15.7010 -15.6942 -15.6942 -8.3346 -8.3346 -1.9994 -1.9994 0.1303 0.1303 1.3518 1.3518 1.8639 1.8639 4.7474 4.7474 5.3379 5.3379 6.5703 6.5703 7.3923 7.3923 8.8676 8.8676 9.6887 9.6887 9.8107 9.8107 k = 0.6674-0.7064-0.4310 ( 4394 PWs) bands (ev): -34.8069 -34.8069 -34.8065 -34.8065 -16.0874 -16.0874 -16.0860 -16.0860 -15.7252 -15.7252 -15.7190 -15.7190 -15.7011 -15.7011 -15.6938 -15.6938 -8.3348 -8.3348 -1.9986 -1.9986 0.1269 0.1269 1.3497 1.3497 1.8626 1.8626 4.7708 4.7708 5.3621 5.3621 6.5720 6.5720 7.3419 7.3419 8.8804 8.8804 9.6393 9.6393 9.7792 9.7792 k = 0.6883-0.6966-0.4250 ( 4394 PWs) bands (ev): -34.8069 -34.8069 -34.8064 -34.8064 -16.0874 -16.0874 -16.0861 -16.0861 -15.7254 -15.7254 -15.7191 -15.7191 -15.7011 -15.7011 -15.6934 -15.6934 -8.3349 -8.3349 -1.9979 -1.9979 0.1234 0.1234 1.3474 1.3474 1.8613 1.8613 4.7957 4.7957 5.3890 5.3890 6.5737 6.5737 7.2889 7.2889 8.8858 8.8858 9.5931 9.5931 9.7486 9.7486 k = 0.7092-0.6869-0.4191 ( 4397 PWs) bands (ev): -34.8069 -34.8069 -34.8064 -34.8064 -16.0874 -16.0874 -16.0861 -16.0861 -15.7256 -15.7256 -15.7192 -15.7192 -15.7012 -15.7012 -15.6930 -15.6930 -8.3351 -8.3351 -1.9971 -1.9971 0.1198 0.1198 1.3452 1.3452 1.8599 1.8599 4.8216 4.8216 5.4186 5.4186 6.5755 6.5755 7.2341 7.2341 8.8825 8.8825 9.5506 9.5506 9.7194 9.7194 k = 0.7302-0.6772-0.4132 ( 4405 PWs) bands (ev): -34.8069 -34.8069 -34.8064 -34.8064 -16.0874 -16.0874 -16.0862 -16.0862 -15.7257 -15.7257 -15.7193 -15.7193 -15.7012 -15.7012 -15.6926 -15.6926 -8.3353 -8.3353 -1.9964 -1.9964 0.1163 0.1163 1.3429 1.3429 1.8586 1.8586 4.8480 4.8480 5.4504 5.4504 6.5773 6.5773 7.1783 7.1783 8.8705 8.8705 9.5118 9.5118 9.6922 9.6922 k = 0.7511-0.6675-0.4072 ( 4410 PWs) bands (ev): -34.8070 -34.8070 -34.8064 -34.8064 -16.0874 -16.0874 -16.0862 -16.0862 -15.7259 -15.7259 -15.7194 -15.7194 -15.7012 -15.7012 -15.6923 -15.6923 -8.3355 -8.3355 -1.9957 -1.9957 0.1130 0.1130 1.3407 1.3407 1.8574 1.8574 4.8743 4.8743 5.4841 5.4841 6.5792 6.5792 7.1223 7.1223 8.8509 8.8509 9.4757 9.4757 9.6672 9.6672 k = 0.7720-0.6578-0.4013 ( 4414 PWs) bands (ev): -34.8070 -34.8070 -34.8064 -34.8064 -16.0874 -16.0874 -16.0862 -16.0862 -15.7260 -15.7260 -15.7196 -15.7196 -15.7012 -15.7012 -15.6919 -15.6919 -8.3358 -8.3358 -1.9951 -1.9951 0.1099 0.1099 1.3386 1.3386 1.8562 1.8562 4.9000 4.9000 5.5189 5.5189 6.5809 6.5809 7.0670 7.0670 8.8258 8.8258 9.4414 9.4414 9.6448 9.6448 k = 0.7929-0.6480-0.3954 ( 4423 PWs) bands (ev): -34.8070 -34.8070 -34.8064 -34.8064 -16.0875 -16.0875 -16.0862 -16.0862 -15.7262 -15.7262 -15.7197 -15.7197 -15.7013 -15.7013 -15.6915 -15.6915 -8.3360 -8.3360 -1.9947 -1.9947 0.1072 0.1072 1.3366 1.3366 1.8552 1.8552 4.9247 4.9247 5.5542 5.5542 6.5826 6.5826 7.0133 7.0133 8.7977 8.7977 9.4085 9.4085 9.6253 9.6253 k = 0.8139-0.6383-0.3894 ( 4416 PWs) bands (ev): -34.8070 -34.8070 -34.8064 -34.8064 -16.0875 -16.0875 -16.0862 -16.0862 -15.7262 -15.7262 -15.7198 -15.7198 -15.7012 -15.7012 -15.6912 -15.6912 -8.3363 -8.3363 -1.9944 -1.9944 0.1049 0.1049 1.3348 1.3348 1.8543 1.8543 4.9479 4.9479 5.5890 5.5890 6.5842 6.5842 6.9624 6.9624 8.7687 8.7687 9.3769 9.3769 9.6087 9.6087 Writing output data file Ca2AsI.save init_run : 1.32s CPU 0.79s WALL ( 1 calls) electrons : 675.70s CPU 595.10s WALL ( 1 calls) Called by init_run: wfcinit : 0.03s CPU 0.03s WALL ( 1 calls) potinit : 0.24s CPU 0.16s WALL ( 1 calls) Called by electrons: c_bands : 675.69s CPU 595.10s WALL ( 1 calls) v_of_rho : 0.03s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.03s CPU 0.01s WALL ( 1 calls) newd : 0.26s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.15s CPU 0.17s WALL ( 280 calls) cegterg : 625.08s CPU 563.28s WALL ( 862 calls) Called by sum_band: Called by *egterg: h_psi : 301.98s CPU 241.89s WALL ( 15767 calls) s_psi : 5.61s CPU 4.66s WALL ( 15767 calls) g_psi : 0.16s CPU 0.16s WALL ( 14625 calls) cdiaghg : 313.72s CPU 298.66s WALL ( 14905 calls) cegterg:over : 19.14s CPU 17.40s WALL ( 14625 calls) cegterg:upda : 9.76s CPU 8.65s WALL ( 14625 calls) cegterg:last : 4.35s CPU 4.40s WALL ( 1970 calls) cdiaghg:chol : 9.34s CPU 8.97s WALL ( 14905 calls) cdiaghg:inve : 4.28s CPU 3.93s WALL ( 14905 calls) cdiaghg:para : 22.28s CPU 21.58s WALL ( 29810 calls) Called by h_psi: h_psi:vloc : 286.13s CPU 228.46s WALL ( 15767 calls) h_psi:vnl : 15.66s CPU 13.28s WALL ( 15767 calls) add_vuspsi : 7.92s CPU 6.23s WALL ( 15767 calls) General routines calbec : 7.70s CPU 7.00s WALL ( 15767 calls) fft : 0.12s CPU 0.06s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 274.09s CPU 218.25s WALL ( 914048 calls) interpolate : 0.04s CPU 0.02s WALL ( 4 calls) davcio : 0.19s CPU 0.28s WALL ( 560 calls) Parallel routines fft_scatter : 213.83s CPU 180.99s WALL ( 914071 calls) PWSCF : 11m56.88s CPU 11m13.24s WALL This run was terminated on: 17:23:59 20Mar2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=