Program PWSCF v.5.4.0 starts on 12Feb2017 at 4:16:21 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 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./LiH2N.save/ 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: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 118 118 32 3440 3440 494 Max 119 119 33 3441 3441 496 Sum 4273 4273 1163 123863 123863 17813 bravais-lattice index = 14 lattice parameter (alat) = 11.7802 a.u. unit-cell volume = 877.5548 (a.u.)^3 number of atoms/cell = 16 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.780160 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.672766 celldm(5)= -0.672766 celldm(6)= 0.345532 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.345532 0.938407 0.000000 ) a(3) = ( -0.672766 -0.469204 0.572044 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.368211 0.874059 ) b(2) = ( 0.000000 1.065636 0.874059 ) b(3) = ( 0.000000 0.000000 1.748118 ) PseudoPot. # 1 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential H 1.00 1.00790 H( 1.00) Li 3.00 6.94100 Li( 1.00) N 5.00 14.00670 N( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E Cartesian axes number of k points= 304 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032895 k( 2) = ( 0.0000000 0.0000000 0.0194235), wk = 0.0032895 k( 3) = ( 0.0000000 0.0000000 0.0388471), wk = 0.0032895 k( 4) = ( 0.0000000 0.0000000 0.0582706), wk = 0.0032895 k( 5) = ( 0.0000000 0.0000000 0.0776941), wk = 0.0032895 k( 6) = ( 0.0000000 0.0000000 0.0971176), wk = 0.0032895 k( 7) = ( 0.0000000 0.0000000 0.1165412), wk = 0.0032895 k( 8) = ( 0.0000000 0.0000000 0.1359647), wk = 0.0032895 k( 9) = ( 0.0000000 0.0000000 0.1553882), wk = 0.0032895 k( 10) = ( 0.0000000 0.0000000 0.1748118), wk = 0.0032895 k( 11) = ( 0.0000000 0.0000000 0.1942353), wk = 0.0032895 k( 12) = ( 0.0000000 0.0000000 0.2136588), wk = 0.0032895 k( 13) = ( 0.0000000 0.0000000 0.2330823), wk = 0.0032895 k( 14) = ( 0.0000000 0.0000000 0.2525059), wk = 0.0032895 k( 15) = ( 0.0000000 0.0000000 0.2719294), wk = 0.0032895 k( 16) = ( 0.0000000 0.0000000 0.2913529), wk = 0.0032895 k( 17) = ( 0.0000000 0.0000000 0.3107765), wk = 0.0032895 k( 18) = ( 0.0000000 0.0000000 0.3302000), wk = 0.0032895 k( 19) = ( 0.0000000 0.0000000 0.3496235), wk = 0.0032895 k( 20) = ( 0.0000000 0.0000000 0.3690470), wk = 0.0032895 k( 21) = ( 0.0000000 0.0000000 0.3884706), wk = 0.0032895 k( 22) = ( 0.0000000 0.0000000 0.4078941), wk = 0.0032895 k( 23) = ( 0.0000000 0.0000000 0.4273176), wk = 0.0032895 k( 24) = ( 0.0000000 0.0000000 0.4467412), wk = 0.0032895 k( 25) = ( 0.0000000 0.0000000 0.4661647), wk = 0.0032895 k( 26) = ( 0.0000000 0.0000000 0.4855882), wk = 0.0032895 k( 27) = ( 0.0000000 0.0000000 0.5050117), wk = 0.0032895 k( 28) = ( 0.0000000 0.0000000 0.5244353), wk = 0.0032895 k( 29) = ( 0.0000000 0.0000000 0.5438588), wk = 0.0032895 k( 30) = ( 0.0000000 0.0000000 0.5632823), wk = 0.0032895 k( 31) = ( 0.0000000 0.0000000 0.5827058), wk = 0.0032895 k( 32) = ( 0.0000000 0.0000000 0.6021294), wk = 0.0032895 k( 33) = ( 0.0000000 0.0000000 0.6215529), wk = 0.0032895 k( 34) = ( 0.0000000 0.0000000 0.6409764), wk = 0.0032895 k( 35) = ( 0.0000000 0.0000000 0.6604000), wk = 0.0032895 k( 36) = ( 0.0000000 0.0000000 0.6798235), wk = 0.0032895 k( 37) = ( 0.0000000 0.0000000 0.6992470), wk = 0.0032895 k( 38) = ( 0.0000000 0.0000000 0.7186705), wk = 0.0032895 k( 39) = ( 0.0000000 0.0000000 0.7380941), wk = 0.0032895 k( 40) = ( 0.0000000 0.0000000 0.7575176), wk = 0.0032895 k( 41) = ( 0.0000000 0.0000000 0.7769411), wk = 0.0032895 k( 42) = ( 0.0000000 0.0000000 0.7963647), wk = 0.0032895 k( 43) = ( 0.0000000 0.0000000 0.8157882), wk = 0.0032895 k( 44) = ( 0.0000000 0.0000000 0.8352117), wk = 0.0032895 k( 45) = ( 0.0000000 0.0000000 0.8546352), wk = 0.0032895 k( 46) = ( 0.0000000 0.0000000 0.8740588), wk = 0.0032895 k( 47) = ( 0.0000000 0.0000000 0.8740588), wk = 0.0032895 k( 48) = ( -0.0110546 0.0158506 0.8740588), wk = 0.0032895 k( 49) = ( -0.0221092 0.0317011 0.8740588), wk = 0.0032895 k( 50) = ( -0.0331637 0.0475517 0.8740588), wk = 0.0032895 k( 51) = ( -0.0442183 0.0634023 0.8740588), wk = 0.0032895 k( 52) = ( -0.0552729 0.0792528 0.8740588), wk = 0.0032895 k( 53) = ( -0.0663275 0.0951034 0.8740588), wk = 0.0032895 k( 54) = ( -0.0773820 0.1109540 0.8740588), wk = 0.0032895 k( 55) = ( -0.0884366 0.1268045 0.8740588), wk = 0.0032895 k( 56) = ( -0.0994912 0.1426551 0.8740588), wk = 0.0032895 k( 57) = ( -0.1105458 0.1585057 0.8740588), wk = 0.0032895 k( 58) = ( -0.1216004 0.1743562 0.8740588), wk = 0.0032895 k( 59) = ( -0.1216004 0.1743562 0.8740588), wk = 0.0032895 k( 60) = ( -0.1294837 0.1856597 0.8602778), wk = 0.0032895 k( 61) = ( -0.1373670 0.1969632 0.8464968), wk = 0.0032895 k( 62) = ( -0.1452503 0.2082666 0.8327158), wk = 0.0032895 k( 63) = ( -0.1531337 0.2195701 0.8189348), wk = 0.0032895 k( 64) = ( -0.1610170 0.2308736 0.8051539), wk = 0.0032895 k( 65) = ( -0.1689003 0.2421771 0.7913729), wk = 0.0032895 k( 66) = ( -0.1767836 0.2534805 0.7775919), wk = 0.0032895 k( 67) = ( -0.1846670 0.2647840 0.7638109), wk = 0.0032895 k( 68) = ( -0.1925503 0.2760875 0.7500299), wk = 0.0032895 k( 69) = ( -0.2004336 0.2873910 0.7362490), wk = 0.0032895 k( 70) = ( -0.2083170 0.2986945 0.7224680), wk = 0.0032895 k( 71) = ( -0.2162003 0.3099979 0.7086870), wk = 0.0032895 k( 72) = ( -0.2240836 0.3213014 0.6949060), wk = 0.0032895 k( 73) = ( -0.2319669 0.3326049 0.6811250), wk = 0.0032895 k( 74) = ( -0.2398502 0.3439084 0.6673441), wk = 0.0032895 k( 75) = ( -0.2477336 0.3552118 0.6535631), wk = 0.0032895 k( 76) = ( -0.2556169 0.3665153 0.6397821), wk = 0.0032895 k( 77) = ( -0.2635002 0.3778188 0.6260011), wk = 0.0032895 k( 78) = ( -0.2713835 0.3891223 0.6122201), wk = 0.0032895 k( 79) = ( -0.2792669 0.4004258 0.5984392), wk = 0.0032895 k( 80) = ( -0.2871502 0.4117292 0.5846582), wk = 0.0032895 k( 81) = ( -0.2950335 0.4230327 0.5708772), wk = 0.0032895 k( 82) = ( -0.3029169 0.4343362 0.5570962), wk = 0.0032895 k( 83) = ( -0.3108002 0.4456397 0.5433152), wk = 0.0032895 k( 84) = ( -0.3108002 0.4456397 0.5433152), wk = 0.0032895 k( 85) = ( -0.3028309 0.4342130 0.5293841), wk = 0.0032895 k( 86) = ( -0.2948617 0.4227863 0.5154529), wk = 0.0032895 k( 87) = ( -0.2868925 0.4113597 0.5015218), wk = 0.0032895 k( 88) = ( -0.2789232 0.3999330 0.4875906), wk = 0.0032895 k( 89) = ( -0.2709540 0.3885064 0.4736595), wk = 0.0032895 k( 90) = ( -0.2629848 0.3770797 0.4597283), wk = 0.0032895 k( 91) = ( -0.2550155 0.3656530 0.4457971), wk = 0.0032895 k( 92) = ( -0.2470463 0.3542264 0.4318660), wk = 0.0032895 k( 93) = ( -0.2390771 0.3427997 0.4179348), wk = 0.0032895 k( 94) = ( -0.2311078 0.3313731 0.4040036), wk = 0.0032895 k( 95) = ( -0.2231386 0.3199464 0.3900725), wk = 0.0032895 k( 96) = ( -0.2151694 0.3085198 0.3761413), wk = 0.0032895 k( 97) = ( -0.2072001 0.2970931 0.3622102), wk = 0.0032895 k( 98) = ( -0.1992309 0.2856665 0.3482790), wk = 0.0032895 k( 99) = ( -0.1912617 0.2742398 0.3343478), wk = 0.0032895 k( 100) = ( -0.1832924 0.2628131 0.3204167), wk = 0.0032895 k( 101) = ( -0.1753232 0.2513865 0.3064855), wk = 0.0032895 k( 102) = ( -0.1673539 0.2399598 0.2925544), wk = 0.0032895 k( 103) = ( -0.1593847 0.2285332 0.2786232), wk = 0.0032895 k( 104) = ( -0.1514155 0.2171065 0.2646920), wk = 0.0032895 k( 105) = ( -0.1434462 0.2056798 0.2507609), wk = 0.0032895 k( 106) = ( -0.1354770 0.1942532 0.2368297), wk = 0.0032895 k( 107) = ( -0.1275078 0.1828265 0.2228986), wk = 0.0032895 k( 108) = ( -0.1195385 0.1713999 0.2089674), wk = 0.0032895 k( 109) = ( -0.1115693 0.1599732 0.1950362), wk = 0.0032895 k( 110) = ( -0.1036001 0.1485466 0.1811051), wk = 0.0032895 k( 111) = ( -0.0956308 0.1371199 0.1671739), wk = 0.0032895 k( 112) = ( -0.0876616 0.1256932 0.1532428), wk = 0.0032895 k( 113) = ( -0.0796923 0.1142666 0.1393116), wk = 0.0032895 k( 114) = ( -0.0717231 0.1028399 0.1253804), wk = 0.0032895 k( 115) = ( -0.0637539 0.0914133 0.1114493), wk = 0.0032895 k( 116) = ( -0.0557846 0.0799866 0.0975181), wk = 0.0032895 k( 117) = ( -0.0478154 0.0685599 0.0835870), wk = 0.0032895 k( 118) = ( -0.0398462 0.0571333 0.0696558), wk = 0.0032895 k( 119) = ( -0.0318769 0.0457066 0.0557246), wk = 0.0032895 k( 120) = ( -0.0239077 0.0342800 0.0417935), wk = 0.0032895 k( 121) = ( -0.0159385 0.0228533 0.0278623), wk = 0.0032895 k( 122) = ( -0.0079692 0.0114267 0.0139312), wk = 0.0032895 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032895 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032895 k( 125) = ( 0.0161290 0.0112488 -0.0000000), wk = 0.0032895 k( 126) = ( 0.0322581 0.0224976 -0.0000000), wk = 0.0032895 k( 127) = ( 0.0483871 0.0337464 -0.0000000), wk = 0.0032895 k( 128) = ( 0.0645161 0.0449952 -0.0000000), wk = 0.0032895 k( 129) = ( 0.0806452 0.0562439 -0.0000000), wk = 0.0032895 k( 130) = ( 0.0967742 0.0674927 -0.0000000), wk = 0.0032895 k( 131) = ( 0.1129032 0.0787415 -0.0000000), wk = 0.0032895 k( 132) = ( 0.1290323 0.0899903 -0.0000000), wk = 0.0032895 k( 133) = ( 0.1451613 0.1012391 -0.0000000), wk = 0.0032895 k( 134) = ( 0.1612903 0.1124879 -0.0000000), wk = 0.0032895 k( 135) = ( 0.1774194 0.1237367 -0.0000000), wk = 0.0032895 k( 136) = ( 0.1935484 0.1349855 -0.0000000), wk = 0.0032895 k( 137) = ( 0.2096774 0.1462342 -0.0000000), wk = 0.0032895 k( 138) = ( 0.2258064 0.1574830 -0.0000000), wk = 0.0032895 k( 139) = ( 0.2419355 0.1687318 -0.0000000), wk = 0.0032895 k( 140) = ( 0.2580645 0.1799806 -0.0000000), wk = 0.0032895 k( 141) = ( 0.2741936 0.1912294 -0.0000000), wk = 0.0032895 k( 142) = ( 0.2903226 0.2024782 -0.0000000), wk = 0.0032895 k( 143) = ( 0.3064516 0.2137270 -0.0000000), wk = 0.0032895 k( 144) = ( 0.3225807 0.2249758 -0.0000000), wk = 0.0032895 k( 145) = ( 0.3387097 0.2362246 -0.0000000), wk = 0.0032895 k( 146) = ( 0.3548387 0.2474733 -0.0000000), wk = 0.0032895 k( 147) = ( 0.3709677 0.2587221 -0.0000000), wk = 0.0032895 k( 148) = ( 0.3870968 0.2699709 -0.0000000), wk = 0.0032895 k( 149) = ( 0.4032258 0.2812197 -0.0000000), wk = 0.0032895 k( 150) = ( 0.4193548 0.2924685 -0.0000000), wk = 0.0032895 k( 151) = ( 0.4354839 0.3037173 -0.0000000), wk = 0.0032895 k( 152) = ( 0.4516129 0.3149661 -0.0000000), wk = 0.0032895 k( 153) = ( 0.4677419 0.3262149 -0.0000000), wk = 0.0032895 k( 154) = ( 0.4838710 0.3374637 -0.0000000), wk = 0.0032895 k( 155) = ( 0.5000000 0.3487124 -0.0000000), wk = 0.0032895 k( 156) = ( 0.5000000 0.3487124 -0.0000000), wk = 0.0032895 k( 157) = ( 0.4921167 0.3600159 0.0137810), wk = 0.0032895 k( 158) = ( 0.4842334 0.3713194 0.0275620), wk = 0.0032895 k( 159) = ( 0.4763500 0.3826229 0.0413429), wk = 0.0032895 k( 160) = ( 0.4684667 0.3939263 0.0551239), wk = 0.0032895 k( 161) = ( 0.4605834 0.4052298 0.0689049), wk = 0.0032895 k( 162) = ( 0.4527001 0.4165333 0.0826859), wk = 0.0032895 k( 163) = ( 0.4448167 0.4278368 0.0964669), wk = 0.0032895 k( 164) = ( 0.4369334 0.4391403 0.1102478), wk = 0.0032895 k( 165) = ( 0.4290501 0.4504437 0.1240288), wk = 0.0032895 k( 166) = ( 0.4211667 0.4617472 0.1378098), wk = 0.0032895 k( 167) = ( 0.4132834 0.4730507 0.1515908), wk = 0.0032895 k( 168) = ( 0.4054001 0.4843542 0.1653718), wk = 0.0032895 k( 169) = ( 0.3975168 0.4956576 0.1791527), wk = 0.0032895 k( 170) = ( 0.3896334 0.5069611 0.1929337), wk = 0.0032895 k( 171) = ( 0.3817501 0.5182646 0.2067147), wk = 0.0032895 k( 172) = ( 0.3738668 0.5295681 0.2204957), wk = 0.0032895 k( 173) = ( 0.3659835 0.5408715 0.2342767), wk = 0.0032895 k( 174) = ( 0.3581001 0.5521750 0.2480576), wk = 0.0032895 k( 175) = ( 0.3502168 0.5634785 0.2618386), wk = 0.0032895 k( 176) = ( 0.3423335 0.5747820 0.2756196), wk = 0.0032895 k( 177) = ( 0.3344502 0.5860854 0.2894006), wk = 0.0032895 k( 178) = ( 0.3265668 0.5973889 0.3031816), wk = 0.0032895 k( 179) = ( 0.3186835 0.6086924 0.3169625), wk = 0.0032895 k( 180) = ( 0.3108002 0.6199959 0.3307435), wk = 0.0032895 k( 181) = ( 0.3108002 0.6199959 0.3307435), wk = 0.0032895 k( 182) = ( 0.2935335 0.6151526 0.3366483), wk = 0.0032895 k( 183) = ( 0.2762668 0.6103094 0.3425531), wk = 0.0032895 k( 184) = ( 0.2590001 0.6054662 0.3484578), wk = 0.0032895 k( 185) = ( 0.2417335 0.6006230 0.3543626), wk = 0.0032895 k( 186) = ( 0.2244668 0.5957797 0.3602674), wk = 0.0032895 k( 187) = ( 0.2072001 0.5909365 0.3661721), wk = 0.0032895 k( 188) = ( 0.1899334 0.5860933 0.3720769), wk = 0.0032895 k( 189) = ( 0.1726668 0.5812500 0.3779817), wk = 0.0032895 k( 190) = ( 0.1554001 0.5764068 0.3838865), wk = 0.0032895 k( 191) = ( 0.1381334 0.5715636 0.3897912), wk = 0.0032895 k( 192) = ( 0.1208667 0.5667204 0.3956960), wk = 0.0032895 k( 193) = ( 0.1036001 0.5618771 0.4016008), wk = 0.0032895 k( 194) = ( 0.0863334 0.5570339 0.4075055), wk = 0.0032895 k( 195) = ( 0.0690667 0.5521907 0.4134103), wk = 0.0032895 k( 196) = ( 0.0518000 0.5473474 0.4193151), wk = 0.0032895 k( 197) = ( 0.0345333 0.5425042 0.4252198), wk = 0.0032895 k( 198) = ( 0.0172667 0.5376610 0.4311246), wk = 0.0032895 k( 199) = ( 0.0000000 0.5328178 0.4370294), wk = 0.0032895 k( 200) = ( 0.0000000 0.5328178 0.4370294), wk = 0.0032895 k( 201) = ( 0.0078125 0.5216158 0.4506865), wk = 0.0032895 k( 202) = ( 0.0156250 0.5104139 0.4643437), wk = 0.0032895 k( 203) = ( 0.0234375 0.4992120 0.4780009), wk = 0.0032895 k( 204) = ( 0.0312500 0.4880101 0.4916581), wk = 0.0032895 k( 205) = ( 0.0390625 0.4768081 0.5053152), wk = 0.0032895 k( 206) = ( 0.0468750 0.4656062 0.5189724), wk = 0.0032895 k( 207) = ( 0.0546875 0.4544043 0.5326296), wk = 0.0032895 k( 208) = ( 0.0625000 0.4432024 0.5462867), wk = 0.0032895 k( 209) = ( 0.0703125 0.4320005 0.5599439), wk = 0.0032895 k( 210) = ( 0.0781250 0.4207985 0.5736011), wk = 0.0032895 k( 211) = ( 0.0859375 0.4095966 0.5872582), wk = 0.0032895 k( 212) = ( 0.0937500 0.3983947 0.6009154), wk = 0.0032895 k( 213) = ( 0.1015625 0.3871928 0.6145726), wk = 0.0032895 k( 214) = ( 0.1093750 0.3759908 0.6282297), wk = 0.0032895 k( 215) = ( 0.1171875 0.3647889 0.6418869), wk = 0.0032895 k( 216) = ( 0.1250000 0.3535870 0.6555441), wk = 0.0032895 k( 217) = ( 0.1328125 0.3423851 0.6692012), wk = 0.0032895 k( 218) = ( 0.1406250 0.3311831 0.6828584), wk = 0.0032895 k( 219) = ( 0.1484375 0.3199812 0.6965156), wk = 0.0032895 k( 220) = ( 0.1562500 0.3087793 0.7101727), wk = 0.0032895 k( 221) = ( 0.1640625 0.2975774 0.7238299), wk = 0.0032895 k( 222) = ( 0.1718750 0.2863755 0.7374871), wk = 0.0032895 k( 223) = ( 0.1796875 0.2751735 0.7511442), wk = 0.0032895 k( 224) = ( 0.1875000 0.2639716 0.7648014), wk = 0.0032895 k( 225) = ( 0.1953125 0.2527697 0.7784586), wk = 0.0032895 k( 226) = ( 0.2031250 0.2415678 0.7921158), wk = 0.0032895 k( 227) = ( 0.2109375 0.2303658 0.8057729), wk = 0.0032895 k( 228) = ( 0.2187500 0.2191639 0.8194301), wk = 0.0032895 k( 229) = ( 0.2265625 0.2079620 0.8330873), wk = 0.0032895 k( 230) = ( 0.2343750 0.1967601 0.8467444), wk = 0.0032895 k( 231) = ( 0.2421875 0.1855581 0.8604016), wk = 0.0032895 k( 232) = ( 0.2500000 0.1743562 0.8740588), wk = 0.0032895 k( 233) = ( 0.2500000 0.1743562 0.8740588), wk = 0.0032895 k( 234) = ( 0.2631579 0.1835329 0.8628708), wk = 0.0032895 k( 235) = ( 0.2763158 0.1927095 0.8516828), wk = 0.0032895 k( 236) = ( 0.2894737 0.2018861 0.8404948), wk = 0.0032895 k( 237) = ( 0.3026316 0.2110628 0.8293068), wk = 0.0032895 k( 238) = ( 0.3157895 0.2202394 0.8181188), wk = 0.0032895 k( 239) = ( 0.3289474 0.2294161 0.8069309), wk = 0.0032895 k( 240) = ( 0.3421053 0.2385927 0.7957429), wk = 0.0032895 k( 241) = ( 0.3552632 0.2477694 0.7845549), wk = 0.0032895 k( 242) = ( 0.3684211 0.2569460 0.7733669), wk = 0.0032895 k( 243) = ( 0.3815789 0.2661227 0.7621789), wk = 0.0032895 k( 244) = ( 0.3947368 0.2752993 0.7509909), wk = 0.0032895 k( 245) = ( 0.4078947 0.2844759 0.7398029), wk = 0.0032895 k( 246) = ( 0.4210526 0.2936526 0.7286149), wk = 0.0032895 k( 247) = ( 0.4342105 0.3028292 0.7174270), wk = 0.0032895 k( 248) = ( 0.4473684 0.3120059 0.7062390), wk = 0.0032895 k( 249) = ( 0.4605263 0.3211825 0.6950510), wk = 0.0032895 k( 250) = ( 0.4736842 0.3303592 0.6838630), wk = 0.0032895 k( 251) = ( 0.4868421 0.3395358 0.6726750), wk = 0.0032895 k( 252) = ( 0.5000000 0.3487124 0.6614870), wk = 0.0032895 k( 253) = ( 0.5000000 0.3487124 0.6614870), wk = 0.0032895 k( 254) = ( 0.5000000 0.3487124 0.6420315), wk = 0.0032895 k( 255) = ( 0.5000000 0.3487124 0.6225760), wk = 0.0032895 k( 256) = ( 0.5000000 0.3487124 0.6031205), wk = 0.0032895 k( 257) = ( 0.5000000 0.3487124 0.5836650), wk = 0.0032895 k( 258) = ( 0.5000000 0.3487124 0.5642095), wk = 0.0032895 k( 259) = ( 0.5000000 0.3487124 0.5447540), wk = 0.0032895 k( 260) = ( 0.5000000 0.3487124 0.5252985), wk = 0.0032895 k( 261) = ( 0.5000000 0.3487124 0.5058430), wk = 0.0032895 k( 262) = ( 0.5000000 0.3487124 0.4863875), wk = 0.0032895 k( 263) = ( 0.5000000 0.3487124 0.4669320), wk = 0.0032895 k( 264) = ( 0.5000000 0.3487124 0.4474765), wk = 0.0032895 k( 265) = ( 0.5000000 0.3487124 0.4280210), wk = 0.0032895 k( 266) = ( 0.5000000 0.3487124 0.4085655), wk = 0.0032895 k( 267) = ( 0.5000000 0.3487124 0.3891100), wk = 0.0032895 k( 268) = ( 0.5000000 0.3487124 0.3696545), wk = 0.0032895 k( 269) = ( 0.5000000 0.3487124 0.3501990), wk = 0.0032895 k( 270) = ( 0.5000000 0.3487124 0.3307435), wk = 0.0032895 k( 271) = ( 0.5000000 0.3487124 0.3112880), wk = 0.0032895 k( 272) = ( 0.5000000 0.3487124 0.2918325), wk = 0.0032895 k( 273) = ( 0.5000000 0.3487124 0.2723770), wk = 0.0032895 k( 274) = ( 0.5000000 0.3487124 0.2529215), wk = 0.0032895 k( 275) = ( 0.5000000 0.3487124 0.2334660), wk = 0.0032895 k( 276) = ( 0.5000000 0.3487124 0.2140105), wk = 0.0032895 k( 277) = ( 0.5000000 0.3487124 0.1945550), wk = 0.0032895 k( 278) = ( 0.5000000 0.3487124 0.1750995), wk = 0.0032895 k( 279) = ( 0.5000000 0.3487124 0.1556440), wk = 0.0032895 k( 280) = ( 0.5000000 0.3487124 0.1361885), wk = 0.0032895 k( 281) = ( 0.5000000 0.3487124 0.1167330), wk = 0.0032895 k( 282) = ( 0.5000000 0.3487124 0.0972775), wk = 0.0032895 k( 283) = ( 0.5000000 0.3487124 0.0778220), wk = 0.0032895 k( 284) = ( 0.5000000 0.3487124 0.0583665), wk = 0.0032895 k( 285) = ( 0.5000000 0.3487124 0.0389110), wk = 0.0032895 k( 286) = ( 0.5000000 0.3487124 0.0194555), wk = 0.0032895 k( 287) = ( 0.5000000 0.3487124 -0.0000000), wk = 0.0032895 k( 288) = ( 0.0000000 0.0000000 0.8740588), wk = 0.0032895 k( 289) = ( 0.0156250 0.0108973 0.8740588), wk = 0.0032895 k( 290) = ( 0.0312500 0.0217945 0.8740588), wk = 0.0032895 k( 291) = ( 0.0468750 0.0326918 0.8740588), wk = 0.0032895 k( 292) = ( 0.0625000 0.0435891 0.8740588), wk = 0.0032895 k( 293) = ( 0.0781250 0.0544863 0.8740588), wk = 0.0032895 k( 294) = ( 0.0937500 0.0653836 0.8740588), wk = 0.0032895 k( 295) = ( 0.1093750 0.0762808 0.8740588), wk = 0.0032895 k( 296) = ( 0.1250000 0.0871781 0.8740588), wk = 0.0032895 k( 297) = ( 0.1406250 0.0980754 0.8740588), wk = 0.0032895 k( 298) = ( 0.1562500 0.1089726 0.8740588), wk = 0.0032895 k( 299) = ( 0.1718750 0.1198699 0.8740588), wk = 0.0032895 k( 300) = ( 0.1875000 0.1307672 0.8740588), wk = 0.0032895 k( 301) = ( 0.2031250 0.1416644 0.8740588), wk = 0.0032895 k( 302) = ( 0.2187500 0.1525617 0.8740588), wk = 0.0032895 k( 303) = ( 0.2343750 0.1634590 0.8740588), wk = 0.0032895 k( 304) = ( 0.2500000 0.1743562 0.8740588), wk = 0.0032895 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032895 k( 2) = ( 0.0000000 0.0000000 0.0111111), wk = 0.0032895 k( 3) = ( 0.0000000 0.0000000 0.0222222), wk = 0.0032895 k( 4) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0032895 k( 5) = ( 0.0000000 0.0000000 0.0444444), wk = 0.0032895 k( 6) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0032895 k( 7) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0032895 k( 8) = ( 0.0000000 0.0000000 0.0777778), wk = 0.0032895 k( 9) = ( 0.0000000 0.0000000 0.0888889), wk = 0.0032895 k( 10) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0032895 k( 11) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0032895 k( 12) = ( 0.0000000 0.0000000 0.1222222), wk = 0.0032895 k( 13) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0032895 k( 14) = ( 0.0000000 0.0000000 0.1444444), wk = 0.0032895 k( 15) = ( 0.0000000 0.0000000 0.1555556), wk = 0.0032895 k( 16) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0032895 k( 17) = ( 0.0000000 0.0000000 0.1777778), wk = 0.0032895 k( 18) = ( 0.0000000 0.0000000 0.1888889), wk = 0.0032895 k( 19) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0032895 k( 20) = ( 0.0000000 0.0000000 0.2111111), wk = 0.0032895 k( 21) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0032895 k( 22) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0032895 k( 23) = ( 0.0000000 0.0000000 0.2444444), wk = 0.0032895 k( 24) = ( 0.0000000 0.0000000 0.2555556), wk = 0.0032895 k( 25) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0032895 k( 26) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0032895 k( 27) = ( 0.0000000 0.0000000 0.2888889), wk = 0.0032895 k( 28) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0032895 k( 29) = ( 0.0000000 0.0000000 0.3111111), wk = 0.0032895 k( 30) = ( 0.0000000 0.0000000 0.3222222), wk = 0.0032895 k( 31) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0032895 k( 32) = ( 0.0000000 0.0000000 0.3444444), wk = 0.0032895 k( 33) = ( 0.0000000 0.0000000 0.3555556), wk = 0.0032895 k( 34) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0032895 k( 35) = ( 0.0000000 0.0000000 0.3777778), wk = 0.0032895 k( 36) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0032895 k( 37) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0032895 k( 38) = ( 0.0000000 0.0000000 0.4111111), wk = 0.0032895 k( 39) = ( 0.0000000 0.0000000 0.4222222), wk = 0.0032895 k( 40) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0032895 k( 41) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0032895 k( 42) = ( 0.0000000 0.0000000 0.4555556), wk = 0.0032895 k( 43) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0032895 k( 44) = ( 0.0000000 0.0000000 0.4777778), wk = 0.0032895 k( 45) = ( 0.0000000 0.0000000 0.4888889), wk = 0.0032895 k( 46) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032895 k( 47) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032895 k( 48) = ( -0.0110546 0.0110546 0.5000000), wk = 0.0032895 k( 49) = ( -0.0221092 0.0221092 0.5000000), wk = 0.0032895 k( 50) = ( -0.0331637 0.0331637 0.5000000), wk = 0.0032895 k( 51) = ( -0.0442183 0.0442183 0.5000000), wk = 0.0032895 k( 52) = ( -0.0552729 0.0552729 0.5000000), wk = 0.0032895 k( 53) = ( -0.0663275 0.0663275 0.5000000), wk = 0.0032895 k( 54) = ( -0.0773820 0.0773820 0.5000000), wk = 0.0032895 k( 55) = ( -0.0884366 0.0884366 0.5000000), wk = 0.0032895 k( 56) = ( -0.0994912 0.0994912 0.5000000), wk = 0.0032895 k( 57) = ( -0.1105458 0.1105458 0.5000000), wk = 0.0032895 k( 58) = ( -0.1216004 0.1216004 0.5000000), wk = 0.0032895 k( 59) = ( -0.1216004 0.1216004 0.5000000), wk = 0.0032895 k( 60) = ( -0.1294837 0.1294837 0.4921167), wk = 0.0032895 k( 61) = ( -0.1373670 0.1373670 0.4842334), wk = 0.0032895 k( 62) = ( -0.1452503 0.1452503 0.4763500), wk = 0.0032895 k( 63) = ( -0.1531337 0.1531337 0.4684667), wk = 0.0032895 k( 64) = ( -0.1610170 0.1610170 0.4605834), wk = 0.0032895 k( 65) = ( -0.1689003 0.1689003 0.4527001), wk = 0.0032895 k( 66) = ( -0.1767836 0.1767836 0.4448167), wk = 0.0032895 k( 67) = ( -0.1846670 0.1846670 0.4369334), wk = 0.0032895 k( 68) = ( -0.1925503 0.1925503 0.4290501), wk = 0.0032895 k( 69) = ( -0.2004336 0.2004336 0.4211667), wk = 0.0032895 k( 70) = ( -0.2083170 0.2083170 0.4132834), wk = 0.0032895 k( 71) = ( -0.2162003 0.2162003 0.4054001), wk = 0.0032895 k( 72) = ( -0.2240836 0.2240836 0.3975168), wk = 0.0032895 k( 73) = ( -0.2319669 0.2319669 0.3896334), wk = 0.0032895 k( 74) = ( -0.2398502 0.2398503 0.3817501), wk = 0.0032895 k( 75) = ( -0.2477336 0.2477336 0.3738668), wk = 0.0032895 k( 76) = ( -0.2556169 0.2556169 0.3659835), wk = 0.0032895 k( 77) = ( -0.2635002 0.2635002 0.3581001), wk = 0.0032895 k( 78) = ( -0.2713835 0.2713835 0.3502168), wk = 0.0032895 k( 79) = ( -0.2792669 0.2792669 0.3423335), wk = 0.0032895 k( 80) = ( -0.2871502 0.2871502 0.3344502), wk = 0.0032895 k( 81) = ( -0.2950335 0.2950335 0.3265668), wk = 0.0032895 k( 82) = ( -0.3029169 0.3029169 0.3186835), wk = 0.0032895 k( 83) = ( -0.3108002 0.3108002 0.3108002), wk = 0.0032895 k( 84) = ( -0.3108002 0.3108002 0.3108002), wk = 0.0032895 k( 85) = ( -0.3028309 0.3028310 0.3028309), wk = 0.0032895 k( 86) = ( -0.2948617 0.2948617 0.2948617), wk = 0.0032895 k( 87) = ( -0.2868925 0.2868925 0.2868925), wk = 0.0032895 k( 88) = ( -0.2789232 0.2789232 0.2789232), wk = 0.0032895 k( 89) = ( -0.2709540 0.2709540 0.2709540), wk = 0.0032895 k( 90) = ( -0.2629848 0.2629848 0.2629848), wk = 0.0032895 k( 91) = ( -0.2550155 0.2550155 0.2550155), wk = 0.0032895 k( 92) = ( -0.2470463 0.2470463 0.2470463), wk = 0.0032895 k( 93) = ( -0.2390771 0.2390771 0.2390771), wk = 0.0032895 k( 94) = ( -0.2311078 0.2311078 0.2311078), wk = 0.0032895 k( 95) = ( -0.2231386 0.2231386 0.2231386), wk = 0.0032895 k( 96) = ( -0.2151694 0.2151694 0.2151694), wk = 0.0032895 k( 97) = ( -0.2072001 0.2072001 0.2072001), wk = 0.0032895 k( 98) = ( -0.1992309 0.1992309 0.1992309), wk = 0.0032895 k( 99) = ( -0.1912617 0.1912616 0.1912617), wk = 0.0032895 k( 100) = ( -0.1832924 0.1832924 0.1832924), wk = 0.0032895 k( 101) = ( -0.1753232 0.1753232 0.1753232), wk = 0.0032895 k( 102) = ( -0.1673539 0.1673539 0.1673539), wk = 0.0032895 k( 103) = ( -0.1593847 0.1593847 0.1593847), wk = 0.0032895 k( 104) = ( -0.1514155 0.1514155 0.1514155), wk = 0.0032895 k( 105) = ( -0.1434462 0.1434462 0.1434462), wk = 0.0032895 k( 106) = ( -0.1354770 0.1354770 0.1354770), wk = 0.0032895 k( 107) = ( -0.1275078 0.1275078 0.1275078), wk = 0.0032895 k( 108) = ( -0.1195385 0.1195385 0.1195385), wk = 0.0032895 k( 109) = ( -0.1115693 0.1115693 0.1115693), wk = 0.0032895 k( 110) = ( -0.1036001 0.1036001 0.1036001), wk = 0.0032895 k( 111) = ( -0.0956308 0.0956308 0.0956308), wk = 0.0032895 k( 112) = ( -0.0876616 0.0876616 0.0876616), wk = 0.0032895 k( 113) = ( -0.0796923 0.0796924 0.0796923), wk = 0.0032895 k( 114) = ( -0.0717231 0.0717231 0.0717231), wk = 0.0032895 k( 115) = ( -0.0637539 0.0637539 0.0637539), wk = 0.0032895 k( 116) = ( -0.0557846 0.0557846 0.0557847), wk = 0.0032895 k( 117) = ( -0.0478154 0.0478154 0.0478154), wk = 0.0032895 k( 118) = ( -0.0398462 0.0398462 0.0398462), wk = 0.0032895 k( 119) = ( -0.0318769 0.0318769 0.0318769), wk = 0.0032895 k( 120) = ( -0.0239077 0.0239077 0.0239077), wk = 0.0032895 k( 121) = ( -0.0159385 0.0159385 0.0159385), wk = 0.0032895 k( 122) = ( -0.0079692 0.0079692 0.0079692), wk = 0.0032895 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032895 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032895 k( 125) = ( 0.0161290 0.0161290 -0.0161290), wk = 0.0032895 k( 126) = ( 0.0322581 0.0322581 -0.0322581), wk = 0.0032895 k( 127) = ( 0.0483871 0.0483871 -0.0483871), wk = 0.0032895 k( 128) = ( 0.0645161 0.0645161 -0.0645161), wk = 0.0032895 k( 129) = ( 0.0806452 0.0806452 -0.0806452), wk = 0.0032895 k( 130) = ( 0.0967742 0.0967742 -0.0967742), wk = 0.0032895 k( 131) = ( 0.1129032 0.1129032 -0.1129032), wk = 0.0032895 k( 132) = ( 0.1290323 0.1290323 -0.1290323), wk = 0.0032895 k( 133) = ( 0.1451613 0.1451613 -0.1451613), wk = 0.0032895 k( 134) = ( 0.1612903 0.1612903 -0.1612903), wk = 0.0032895 k( 135) = ( 0.1774194 0.1774194 -0.1774194), wk = 0.0032895 k( 136) = ( 0.1935484 0.1935484 -0.1935484), wk = 0.0032895 k( 137) = ( 0.2096774 0.2096774 -0.2096774), wk = 0.0032895 k( 138) = ( 0.2258064 0.2258065 -0.2258065), wk = 0.0032895 k( 139) = ( 0.2419355 0.2419355 -0.2419355), wk = 0.0032895 k( 140) = ( 0.2580645 0.2580645 -0.2580645), wk = 0.0032895 k( 141) = ( 0.2741936 0.2741936 -0.2741936), wk = 0.0032895 k( 142) = ( 0.2903226 0.2903226 -0.2903226), wk = 0.0032895 k( 143) = ( 0.3064516 0.3064516 -0.3064516), wk = 0.0032895 k( 144) = ( 0.3225807 0.3225807 -0.3225807), wk = 0.0032895 k( 145) = ( 0.3387097 0.3387097 -0.3387097), wk = 0.0032895 k( 146) = ( 0.3548387 0.3548387 -0.3548387), wk = 0.0032895 k( 147) = ( 0.3709677 0.3709677 -0.3709677), wk = 0.0032895 k( 148) = ( 0.3870968 0.3870968 -0.3870968), wk = 0.0032895 k( 149) = ( 0.4032258 0.4032258 -0.4032258), wk = 0.0032895 k( 150) = ( 0.4193548 0.4193548 -0.4193548), wk = 0.0032895 k( 151) = ( 0.4354839 0.4354839 -0.4354839), wk = 0.0032895 k( 152) = ( 0.4516129 0.4516129 -0.4516129), wk = 0.0032895 k( 153) = ( 0.4677419 0.4677419 -0.4677419), wk = 0.0032895 k( 154) = ( 0.4838710 0.4838710 -0.4838710), wk = 0.0032895 k( 155) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0032895 k( 156) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0032895 k( 157) = ( 0.4921167 0.5078833 -0.4921167), wk = 0.0032895 k( 158) = ( 0.4842334 0.5157666 -0.4842334), wk = 0.0032895 k( 159) = ( 0.4763500 0.5236500 -0.4763500), wk = 0.0032895 k( 160) = ( 0.4684667 0.5315333 -0.4684667), wk = 0.0032895 k( 161) = ( 0.4605834 0.5394166 -0.4605834), wk = 0.0032895 k( 162) = ( 0.4527001 0.5472999 -0.4527001), wk = 0.0032895 k( 163) = ( 0.4448167 0.5551833 -0.4448167), wk = 0.0032895 k( 164) = ( 0.4369334 0.5630666 -0.4369334), wk = 0.0032895 k( 165) = ( 0.4290501 0.5709499 -0.4290501), wk = 0.0032895 k( 166) = ( 0.4211667 0.5788333 -0.4211667), wk = 0.0032895 k( 167) = ( 0.4132834 0.5867166 -0.4132834), wk = 0.0032895 k( 168) = ( 0.4054001 0.5945999 -0.4054001), wk = 0.0032895 k( 169) = ( 0.3975168 0.6024832 -0.3975168), wk = 0.0032895 k( 170) = ( 0.3896334 0.6103666 -0.3896334), wk = 0.0032895 k( 171) = ( 0.3817501 0.6182499 -0.3817501), wk = 0.0032895 k( 172) = ( 0.3738668 0.6261332 -0.3738668), wk = 0.0032895 k( 173) = ( 0.3659835 0.6340165 -0.3659835), wk = 0.0032895 k( 174) = ( 0.3581001 0.6418999 -0.3581001), wk = 0.0032895 k( 175) = ( 0.3502168 0.6497832 -0.3502168), wk = 0.0032895 k( 176) = ( 0.3423335 0.6576665 -0.3423335), wk = 0.0032895 k( 177) = ( 0.3344502 0.6655498 -0.3344502), wk = 0.0032895 k( 178) = ( 0.3265668 0.6734332 -0.3265668), wk = 0.0032895 k( 179) = ( 0.3186835 0.6813165 -0.3186835), wk = 0.0032895 k( 180) = ( 0.3108002 0.6891998 -0.3108002), wk = 0.0032895 k( 181) = ( 0.3108002 0.6891998 -0.3108002), wk = 0.0032895 k( 182) = ( 0.2935335 0.6786887 -0.2935335), wk = 0.0032895 k( 183) = ( 0.2762668 0.6681776 -0.2762668), wk = 0.0032895 k( 184) = ( 0.2590001 0.6576665 -0.2590002), wk = 0.0032895 k( 185) = ( 0.2417335 0.6471554 -0.2417335), wk = 0.0032895 k( 186) = ( 0.2244668 0.6366443 -0.2244668), wk = 0.0032895 k( 187) = ( 0.2072001 0.6261332 -0.2072001), wk = 0.0032895 k( 188) = ( 0.1899334 0.6156221 -0.1899334), wk = 0.0032895 k( 189) = ( 0.1726668 0.6051110 -0.1726668), wk = 0.0032895 k( 190) = ( 0.1554001 0.5945999 -0.1554001), wk = 0.0032895 k( 191) = ( 0.1381334 0.5840888 -0.1381334), wk = 0.0032895 k( 192) = ( 0.1208667 0.5735777 -0.1208667), wk = 0.0032895 k( 193) = ( 0.1036001 0.5630666 -0.1036001), wk = 0.0032895 k( 194) = ( 0.0863334 0.5525555 -0.0863334), wk = 0.0032895 k( 195) = ( 0.0690667 0.5420444 -0.0690667), wk = 0.0032895 k( 196) = ( 0.0518000 0.5315333 -0.0518000), wk = 0.0032895 k( 197) = ( 0.0345333 0.5210222 -0.0345333), wk = 0.0032895 k( 198) = ( 0.0172667 0.5105111 -0.0172667), wk = 0.0032895 k( 199) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032895 k( 200) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032895 k( 201) = ( 0.0078125 0.4921875 0.0078125), wk = 0.0032895 k( 202) = ( 0.0156250 0.4843750 0.0156250), wk = 0.0032895 k( 203) = ( 0.0234375 0.4765625 0.0234375), wk = 0.0032895 k( 204) = ( 0.0312500 0.4687500 0.0312500), wk = 0.0032895 k( 205) = ( 0.0390625 0.4609375 0.0390625), wk = 0.0032895 k( 206) = ( 0.0468750 0.4531250 0.0468750), wk = 0.0032895 k( 207) = ( 0.0546875 0.4453125 0.0546875), wk = 0.0032895 k( 208) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0032895 k( 209) = ( 0.0703125 0.4296875 0.0703125), wk = 0.0032895 k( 210) = ( 0.0781250 0.4218750 0.0781250), wk = 0.0032895 k( 211) = ( 0.0859375 0.4140625 0.0859375), wk = 0.0032895 k( 212) = ( 0.0937500 0.4062500 0.0937500), wk = 0.0032895 k( 213) = ( 0.1015625 0.3984375 0.1015625), wk = 0.0032895 k( 214) = ( 0.1093750 0.3906250 0.1093750), wk = 0.0032895 k( 215) = ( 0.1171875 0.3828125 0.1171875), wk = 0.0032895 k( 216) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0032895 k( 217) = ( 0.1328125 0.3671875 0.1328125), wk = 0.0032895 k( 218) = ( 0.1406250 0.3593750 0.1406250), wk = 0.0032895 k( 219) = ( 0.1484375 0.3515625 0.1484375), wk = 0.0032895 k( 220) = ( 0.1562500 0.3437500 0.1562500), wk = 0.0032895 k( 221) = ( 0.1640625 0.3359375 0.1640625), wk = 0.0032895 k( 222) = ( 0.1718750 0.3281250 0.1718750), wk = 0.0032895 k( 223) = ( 0.1796875 0.3203125 0.1796875), wk = 0.0032895 k( 224) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0032895 k( 225) = ( 0.1953125 0.3046875 0.1953125), wk = 0.0032895 k( 226) = ( 0.2031250 0.2968750 0.2031250), wk = 0.0032895 k( 227) = ( 0.2109375 0.2890625 0.2109375), wk = 0.0032895 k( 228) = ( 0.2187500 0.2812500 0.2187500), wk = 0.0032895 k( 229) = ( 0.2265625 0.2734375 0.2265625), wk = 0.0032895 k( 230) = ( 0.2343750 0.2656250 0.2343750), wk = 0.0032895 k( 231) = ( 0.2421875 0.2578125 0.2421875), wk = 0.0032895 k( 232) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032895 k( 233) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032895 k( 234) = ( 0.2631579 0.2631579 0.2304421), wk = 0.0032895 k( 235) = ( 0.2763158 0.2763158 0.2108842), wk = 0.0032895 k( 236) = ( 0.2894737 0.2894737 0.1913263), wk = 0.0032895 k( 237) = ( 0.3026316 0.3026316 0.1717683), wk = 0.0032895 k( 238) = ( 0.3157895 0.3157895 0.1522104), wk = 0.0032895 k( 239) = ( 0.3289474 0.3289474 0.1326525), wk = 0.0032895 k( 240) = ( 0.3421053 0.3421053 0.1130946), wk = 0.0032895 k( 241) = ( 0.3552632 0.3552632 0.0935367), wk = 0.0032895 k( 242) = ( 0.3684211 0.3684211 0.0739788), wk = 0.0032895 k( 243) = ( 0.3815789 0.3815790 0.0544209), wk = 0.0032895 k( 244) = ( 0.3947368 0.3947368 0.0348630), wk = 0.0032895 k( 245) = ( 0.4078947 0.4078947 0.0153050), wk = 0.0032895 k( 246) = ( 0.4210526 0.4210526 -0.0042529), wk = 0.0032895 k( 247) = ( 0.4342105 0.4342105 -0.0238108), wk = 0.0032895 k( 248) = ( 0.4473684 0.4473684 -0.0433687), wk = 0.0032895 k( 249) = ( 0.4605263 0.4605263 -0.0629266), wk = 0.0032895 k( 250) = ( 0.4736842 0.4736842 -0.0824845), wk = 0.0032895 k( 251) = ( 0.4868421 0.4868421 -0.1020424), wk = 0.0032895 k( 252) = ( 0.5000000 0.5000000 -0.1216004), wk = 0.0032895 k( 253) = ( 0.5000000 0.5000000 -0.1216004), wk = 0.0032895 k( 254) = ( 0.5000000 0.5000000 -0.1327298), wk = 0.0032895 k( 255) = ( 0.5000000 0.5000000 -0.1438592), wk = 0.0032895 k( 256) = ( 0.5000000 0.5000000 -0.1549886), wk = 0.0032895 k( 257) = ( 0.5000000 0.5000000 -0.1661180), wk = 0.0032895 k( 258) = ( 0.5000000 0.5000000 -0.1772474), wk = 0.0032895 k( 259) = ( 0.5000000 0.5000000 -0.1883768), wk = 0.0032895 k( 260) = ( 0.5000000 0.5000000 -0.1995062), wk = 0.0032895 k( 261) = ( 0.5000000 0.5000000 -0.2106356), wk = 0.0032895 k( 262) = ( 0.5000000 0.5000000 -0.2217650), wk = 0.0032895 k( 263) = ( 0.5000000 0.5000000 -0.2328944), wk = 0.0032895 k( 264) = ( 0.5000000 0.5000000 -0.2440238), wk = 0.0032895 k( 265) = ( 0.5000000 0.5000000 -0.2551532), wk = 0.0032895 k( 266) = ( 0.5000000 0.5000000 -0.2662826), wk = 0.0032895 k( 267) = ( 0.5000000 0.5000000 -0.2774120), wk = 0.0032895 k( 268) = ( 0.5000000 0.5000000 -0.2885414), wk = 0.0032895 k( 269) = ( 0.5000000 0.5000000 -0.2996708), wk = 0.0032895 k( 270) = ( 0.5000000 0.5000000 -0.3108002), wk = 0.0032895 k( 271) = ( 0.5000000 0.5000000 -0.3219296), wk = 0.0032895 k( 272) = ( 0.5000000 0.5000000 -0.3330590), wk = 0.0032895 k( 273) = ( 0.5000000 0.5000000 -0.3441884), wk = 0.0032895 k( 274) = ( 0.5000000 0.5000000 -0.3553178), wk = 0.0032895 k( 275) = ( 0.5000000 0.5000000 -0.3664472), wk = 0.0032895 k( 276) = ( 0.5000000 0.5000000 -0.3775766), wk = 0.0032895 k( 277) = ( 0.5000000 0.5000000 -0.3887060), wk = 0.0032895 k( 278) = ( 0.5000000 0.5000000 -0.3998354), wk = 0.0032895 k( 279) = ( 0.5000000 0.5000000 -0.4109648), wk = 0.0032895 k( 280) = ( 0.5000000 0.5000000 -0.4220942), wk = 0.0032895 k( 281) = ( 0.5000000 0.5000000 -0.4332236), wk = 0.0032895 k( 282) = ( 0.5000000 0.5000000 -0.4443530), wk = 0.0032895 k( 283) = ( 0.5000000 0.5000000 -0.4554824), wk = 0.0032895 k( 284) = ( 0.5000000 0.5000000 -0.4666118), wk = 0.0032895 k( 285) = ( 0.5000000 0.5000000 -0.4777412), wk = 0.0032895 k( 286) = ( 0.5000000 0.5000000 -0.4888706), wk = 0.0032895 k( 287) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0032895 k( 288) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032895 k( 289) = ( 0.0156250 0.0156250 0.4843750), wk = 0.0032895 k( 290) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0032895 k( 291) = ( 0.0468750 0.0468750 0.4531250), wk = 0.0032895 k( 292) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0032895 k( 293) = ( 0.0781250 0.0781250 0.4218750), wk = 0.0032895 k( 294) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0032895 k( 295) = ( 0.1093750 0.1093750 0.3906250), wk = 0.0032895 k( 296) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0032895 k( 297) = ( 0.1406250 0.1406250 0.3593750), wk = 0.0032895 k( 298) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0032895 k( 299) = ( 0.1718750 0.1718750 0.3281250), wk = 0.0032895 k( 300) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0032895 k( 301) = ( 0.2031250 0.2031250 0.2968750), wk = 0.0032895 k( 302) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0032895 k( 303) = ( 0.2343750 0.2343750 0.2656250), wk = 0.0032895 k( 304) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032895 Dense grid: 123863 G-vectors FFT dimensions: ( 80, 80, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.64 Mb ( 880, 48) NL pseudopotentials 0.86 Mb ( 440, 128) Each V/rho on FFT grid 0.29 Mb ( 19200) Each G-vector array 0.03 Mb ( 3441) G-vector shells 0.01 Mb ( 1534) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.58 Mb ( 880, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.19 Mb ( 128, 2, 48) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./LiH2N.save/charge-density.dat Starting wfc are 88 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.2 secs Computing kpt #: 2 total cpu time spent up to now is 4.3 secs Computing kpt #: 3 total cpu time spent up to now is 5.5 secs Computing kpt #: 4 total cpu time spent up to now is 6.7 secs Computing kpt #: 5 total cpu time spent up to now is 7.9 secs Computing kpt #: 6 total cpu time spent up to now is 9.1 secs Computing kpt #: 7 total cpu time spent up to now is 10.4 secs Computing kpt #: 8 total cpu time spent up to now is 11.6 secs Computing kpt #: 9 total cpu time spent up to now is 12.8 secs Computing kpt #: 10 total cpu time spent up to now is 14.0 secs Computing kpt #: 11 total cpu time spent up to now is 15.3 secs Computing kpt #: 12 total cpu time spent up to now is 16.5 secs Computing kpt #: 13 total cpu time spent up to now is 17.8 secs Computing kpt #: 14 total cpu time spent up to now is 19.0 secs Computing kpt #: 15 total cpu time spent up to now is 20.3 secs Computing kpt #: 16 total cpu time spent up to now is 21.6 secs Computing kpt #: 17 total cpu time spent up to now is 22.8 secs Computing kpt #: 18 total cpu time spent up to now is 24.1 secs Computing kpt #: 19 total cpu time spent up to now is 25.4 secs Computing kpt #: 20 total cpu time spent up to now is 26.7 secs Computing kpt #: 21 total cpu time spent up to now is 28.0 secs Computing kpt #: 22 total cpu time spent up to now is 29.3 secs Computing kpt #: 23 total cpu time spent up to now is 30.6 secs Computing kpt #: 24 total cpu time spent up to now is 31.9 secs Computing kpt #: 25 total cpu time spent up to now is 33.3 secs Computing kpt #: 26 total cpu time spent up to now is 34.8 secs Computing kpt #: 27 total cpu time spent up to now is 36.3 secs Computing kpt #: 28 total cpu time spent up to now is 37.7 secs Computing kpt #: 29 total cpu time spent up to now is 39.1 secs Computing kpt #: 30 total cpu time spent up to now is 40.4 secs Computing kpt #: 31 total cpu time spent up to now is 41.7 secs Computing kpt #: 32 total cpu time spent up to now is 43.1 secs Computing kpt #: 33 total cpu time spent up to now is 44.5 secs Computing kpt #: 34 total cpu time spent up to now is 45.8 secs Computing kpt #: 35 total cpu time spent up to now is 47.1 secs Computing kpt #: 36 total cpu time spent up to now is 48.5 secs Computing kpt #: 37 total cpu time spent up to now is 49.8 secs Computing kpt #: 38 total cpu time spent up to now is 51.1 secs Computing kpt #: 39 total cpu time spent up to now is 52.7 secs Computing kpt #: 40 total cpu time spent up to now is 54.2 secs Computing kpt #: 41 total cpu time spent up to now is 55.7 secs Computing kpt #: 42 total cpu time spent up to now is 57.3 secs Computing kpt #: 43 total cpu time spent up to now is 58.8 secs Computing kpt #: 44 total cpu time spent up to now is 60.4 secs Computing kpt #: 45 total cpu time spent up to now is 61.9 secs Computing kpt #: 46 total cpu time spent up to now is 63.5 secs Computing kpt #: 47 total cpu time spent up to now is 65.1 secs Computing kpt #: 48 total cpu time spent up to now is 66.8 secs Computing kpt #: 49 total cpu time spent up to now is 68.3 secs Computing kpt #: 50 total cpu time spent up to now is 69.9 secs Computing kpt #: 51 total cpu time spent up to now is 71.5 secs Computing kpt #: 52 total cpu time spent up to now is 73.0 secs Computing kpt #: 53 total cpu time spent up to now is 74.5 secs Computing kpt #: 54 total cpu time spent up to now is 75.8 secs Computing kpt #: 55 total cpu time spent up to now is 77.1 secs Computing kpt #: 56 total cpu time spent up to now is 78.4 secs Computing kpt #: 57 total cpu time spent up to now is 79.7 secs Computing kpt #: 58 total cpu time spent up to now is 81.1 secs Computing kpt #: 59 total cpu time spent up to now is 82.4 secs Computing kpt #: 60 total cpu time spent up to now is 83.7 secs Computing kpt #: 61 total cpu time spent up to now is 84.9 secs Computing kpt #: 62 total cpu time spent up to now is 86.6 secs Computing kpt #: 63 total cpu time spent up to now is 88.0 secs Computing kpt #: 64 total cpu time spent up to now is 89.3 secs Computing kpt #: 65 total cpu time spent up to now is 90.7 secs Computing kpt #: 66 total cpu time spent up to now is 91.9 secs Computing kpt #: 67 total cpu time spent up to now is 93.2 secs Computing kpt #: 68 total cpu time spent up to now is 94.5 secs Computing kpt #: 69 total cpu time spent up to now is 95.8 secs Computing kpt #: 70 total cpu time spent up to now is 97.0 secs Computing kpt #: 71 total cpu time spent up to now is 98.2 secs Computing kpt #: 72 total cpu time spent up to now is 99.5 secs Computing kpt #: 73 total cpu time spent up to now is 100.7 secs Computing kpt #: 74 total cpu time spent up to now is 102.0 secs Computing kpt #: 75 total cpu time spent up to now is 103.2 secs Computing kpt #: 76 total cpu time spent up to now is 104.4 secs Computing kpt #: 77 total cpu time spent up to now is 105.7 secs Computing kpt #: 78 total cpu time spent up to now is 106.9 secs Computing kpt #: 79 total cpu time spent up to now is 108.1 secs Computing kpt #: 80 total cpu time spent up to now is 109.3 secs Computing kpt #: 81 total cpu time spent up to now is 110.5 secs Computing kpt #: 82 total cpu time spent up to now is 111.7 secs Computing kpt #: 83 total cpu time spent up to now is 112.9 secs Computing kpt #: 84 total cpu time spent up to now is 114.1 secs Computing kpt #: 85 total cpu time spent up to now is 115.4 secs Computing kpt #: 86 total cpu time spent up to now is 116.6 secs Computing kpt #: 87 total cpu time spent up to now is 117.8 secs Computing kpt #: 88 total cpu time spent up to now is 119.1 secs Computing kpt #: 89 total cpu time spent up to now is 120.3 secs Computing kpt #: 90 total cpu time spent up to now is 121.5 secs Computing kpt #: 91 total cpu time spent up to now is 122.7 secs Computing kpt #: 92 total cpu time spent up to now is 123.9 secs Computing kpt #: 93 total cpu time spent up to now is 125.2 secs Computing kpt #: 94 total cpu time spent up to now is 126.5 secs Computing kpt #: 95 total cpu time spent up to now is 127.7 secs Computing kpt #: 96 total cpu time spent up to now is 129.0 secs Computing kpt #: 97 total cpu time spent up to now is 130.3 secs Computing kpt #: 98 total cpu time spent up to now is 131.6 secs Computing kpt #: 99 total cpu time spent up to now is 132.9 secs Computing kpt #: 100 total cpu time spent up to now is 134.2 secs Computing kpt #: 101 total cpu time spent up to now is 135.5 secs Computing kpt #: 102 total cpu time spent up to now is 136.8 secs Computing kpt #: 103 total cpu time spent up to now is 138.1 secs Computing kpt #: 104 total cpu time spent up to now is 139.3 secs Computing kpt #: 105 total cpu time spent up to now is 140.6 secs Computing kpt #: 106 total cpu time spent up to now is 141.9 secs Computing kpt #: 107 total cpu time spent up to now is 143.2 secs Computing kpt #: 108 total cpu time spent up to now is 144.5 secs Computing kpt #: 109 total cpu time spent up to now is 145.7 secs Computing kpt #: 110 total cpu time spent up to now is 146.9 secs Computing kpt #: 111 total cpu time spent up to now is 148.2 secs Computing kpt #: 112 total cpu time spent up to now is 149.5 secs Computing kpt #: 113 total cpu time spent up to now is 150.7 secs Computing kpt #: 114 total cpu time spent up to now is 152.0 secs Computing kpt #: 115 total cpu time spent up to now is 153.2 secs Computing kpt #: 116 total cpu time spent up to now is 154.4 secs Computing kpt #: 117 total cpu time spent up to now is 155.6 secs Computing kpt #: 118 total cpu time spent up to now is 156.8 secs Computing kpt #: 119 total cpu time spent up to now is 158.0 secs Computing kpt #: 120 total cpu time spent up to now is 159.2 secs Computing kpt #: 121 total cpu time spent up to now is 160.4 secs Computing kpt #: 122 total cpu time spent up to now is 161.6 secs Computing kpt #: 123 total cpu time spent up to now is 162.7 secs Computing kpt #: 124 total cpu time spent up to now is 163.9 secs Computing kpt #: 125 total cpu time spent up to now is 165.1 secs Computing kpt #: 126 total cpu time spent up to now is 166.3 secs Computing kpt #: 127 total cpu time spent up to now is 167.5 secs Computing kpt #: 128 total cpu time spent up to now is 168.7 secs Computing kpt #: 129 total cpu time spent up to now is 169.9 secs Computing kpt #: 130 total cpu time spent up to now is 171.1 secs Computing kpt #: 131 total cpu time spent up to now is 172.3 secs Computing kpt #: 132 total cpu time spent up to now is 173.5 secs Computing kpt #: 133 total cpu time spent up to now is 174.6 secs Computing kpt #: 134 total cpu time spent up to now is 175.8 secs Computing kpt #: 135 total cpu time spent up to now is 177.0 secs Computing kpt #: 136 total cpu time spent up to now is 178.1 secs Computing kpt #: 137 total cpu time spent up to now is 179.3 secs Computing kpt #: 138 total cpu time spent up to now is 180.5 secs Computing kpt #: 139 total cpu time spent up to now is 181.6 secs Computing kpt #: 140 total cpu time spent up to now is 182.8 secs Computing kpt #: 141 total cpu time spent up to now is 183.9 secs Computing kpt #: 142 total cpu time spent up to now is 185.1 secs Computing kpt #: 143 total cpu time spent up to now is 186.2 secs Computing kpt #: 144 total cpu time spent up to now is 187.4 secs Computing kpt #: 145 total cpu time spent up to now is 188.5 secs Computing kpt #: 146 total cpu time spent up to now is 189.7 secs Computing kpt #: 147 total cpu time spent up to now is 190.8 secs Computing kpt #: 148 total cpu time spent up to now is 192.0 secs Computing kpt #: 149 total cpu time spent up to now is 193.1 secs Computing kpt #: 150 total cpu time spent up to now is 194.3 secs Computing kpt #: 151 total cpu time spent up to now is 195.4 secs Computing kpt #: 152 total cpu time spent up to now is 196.6 secs Computing kpt #: 153 total cpu time spent up to now is 197.7 secs Computing kpt #: 154 total cpu time spent up to now is 198.8 secs Computing kpt #: 155 total cpu time spent up to now is 200.0 secs Computing kpt #: 156 total cpu time spent up to now is 201.1 secs Computing kpt #: 157 total cpu time spent up to now is 202.2 secs Computing kpt #: 158 total cpu time spent up to now is 203.3 secs Computing kpt #: 159 total cpu time spent up to now is 204.5 secs Computing kpt #: 160 total cpu time spent up to now is 205.6 secs Computing kpt #: 161 total cpu time spent up to now is 206.8 secs Computing kpt #: 162 total cpu time spent up to now is 208.0 secs Computing kpt #: 163 total cpu time spent up to now is 209.2 secs Computing kpt #: 164 total cpu time spent up to now is 210.4 secs Computing kpt #: 165 total cpu time spent up to now is 211.6 secs Computing kpt #: 166 total cpu time spent up to now is 212.8 secs Computing kpt #: 167 total cpu time spent up to now is 214.0 secs Computing kpt #: 168 total cpu time spent up to now is 215.2 secs Computing kpt #: 169 total cpu time spent up to now is 216.4 secs Computing kpt #: 170 total cpu time spent up to now is 217.6 secs Computing kpt #: 171 total cpu time spent up to now is 218.8 secs Computing kpt #: 172 total cpu time spent up to now is 220.0 secs Computing kpt #: 173 total cpu time spent up to now is 221.2 secs Computing kpt #: 174 total cpu time spent up to now is 222.4 secs Computing kpt #: 175 total cpu time spent up to now is 223.6 secs Computing kpt #: 176 total cpu time spent up to now is 224.8 secs Computing kpt #: 177 total cpu time spent up to now is 226.1 secs Computing kpt #: 178 total cpu time spent up to now is 227.3 secs Computing kpt #: 179 total cpu time spent up to now is 228.5 secs Computing kpt #: 180 total cpu time spent up to now is 229.8 secs Computing kpt #: 181 total cpu time spent up to now is 231.0 secs Computing kpt #: 182 total cpu time spent up to now is 232.3 secs Computing kpt #: 183 total cpu time spent up to now is 233.5 secs Computing kpt #: 184 total cpu time spent up to now is 234.7 secs Computing kpt #: 185 total cpu time spent up to now is 235.9 secs Computing kpt #: 186 total cpu time spent up to now is 237.1 secs Computing kpt #: 187 total cpu time spent up to now is 238.3 secs Computing kpt #: 188 total cpu time spent up to now is 239.6 secs Computing kpt #: 189 total cpu time spent up to now is 240.8 secs Computing kpt #: 190 total cpu time spent up to now is 242.1 secs Computing kpt #: 191 total cpu time spent up to now is 243.3 secs Computing kpt #: 192 total cpu time spent up to now is 244.6 secs Computing kpt #: 193 total cpu time spent up to now is 245.8 secs Computing kpt #: 194 total cpu time spent up to now is 247.1 secs Computing kpt #: 195 total cpu time spent up to now is 248.4 secs Computing kpt #: 196 total cpu time spent up to now is 249.7 secs Computing kpt #: 197 total cpu time spent up to now is 250.9 secs Computing kpt #: 198 total cpu time spent up to now is 252.1 secs Computing kpt #: 199 total cpu time spent up to now is 253.4 secs Computing kpt #: 200 total cpu time spent up to now is 254.6 secs Computing kpt #: 201 total cpu time spent up to now is 255.9 secs Computing kpt #: 202 total cpu time spent up to now is 257.2 secs Computing kpt #: 203 total cpu time spent up to now is 258.5 secs Computing kpt #: 204 total cpu time spent up to now is 259.7 secs Computing kpt #: 205 total cpu time spent up to now is 261.0 secs Computing kpt #: 206 total cpu time spent up to now is 262.3 secs Computing kpt #: 207 total cpu time spent up to now is 263.6 secs Computing kpt #: 208 total cpu time spent up to now is 264.9 secs Computing kpt #: 209 total cpu time spent up to now is 266.2 secs Computing kpt #: 210 total cpu time spent up to now is 267.5 secs Computing kpt #: 211 total cpu time spent up to now is 268.8 secs Computing kpt #: 212 total cpu time spent up to now is 270.1 secs Computing kpt #: 213 total cpu time spent up to now is 271.5 secs Computing kpt #: 214 total cpu time spent up to now is 272.8 secs Computing kpt #: 215 total cpu time spent up to now is 274.2 secs Computing kpt #: 216 total cpu time spent up to now is 275.7 secs Computing kpt #: 217 total cpu time spent up to now is 277.2 secs Computing kpt #: 218 total cpu time spent up to now is 278.8 secs Computing kpt #: 219 total cpu time spent up to now is 280.3 secs Computing kpt #: 220 total cpu time spent up to now is 281.9 secs Computing kpt #: 221 total cpu time spent up to now is 283.4 secs Computing kpt #: 222 total cpu time spent up to now is 285.0 secs Computing kpt #: 223 total cpu time spent up to now is 286.5 secs Computing kpt #: 224 total cpu time spent up to now is 288.0 secs Computing kpt #: 225 total cpu time spent up to now is 289.6 secs Computing kpt #: 226 total cpu time spent up to now is 291.1 secs Computing kpt #: 227 total cpu time spent up to now is 292.7 secs Computing kpt #: 228 total cpu time spent up to now is 294.2 secs Computing kpt #: 229 total cpu time spent up to now is 295.8 secs Computing kpt #: 230 total cpu time spent up to now is 297.4 secs Computing kpt #: 231 total cpu time spent up to now is 298.9 secs Computing kpt #: 232 total cpu time spent up to now is 300.4 secs Computing kpt #: 233 total cpu time spent up to now is 302.0 secs Computing kpt #: 234 total cpu time spent up to now is 303.6 secs Computing kpt #: 235 total cpu time spent up to now is 305.1 secs Computing kpt #: 236 total cpu time spent up to now is 306.6 secs Computing kpt #: 237 total cpu time spent up to now is 308.2 secs Computing kpt #: 238 total cpu time spent up to now is 309.7 secs Computing kpt #: 239 total cpu time spent up to now is 311.3 secs Computing kpt #: 240 total cpu time spent up to now is 312.8 secs Computing kpt #: 241 total cpu time spent up to now is 314.4 secs Computing kpt #: 242 total cpu time spent up to now is 315.9 secs Computing kpt #: 243 total cpu time spent up to now is 317.4 secs Computing kpt #: 244 total cpu time spent up to now is 319.0 secs Computing kpt #: 245 total cpu time spent up to now is 320.5 secs Computing kpt #: 246 total cpu time spent up to now is 322.0 secs Computing kpt #: 247 total cpu time spent up to now is 323.4 secs Computing kpt #: 248 total cpu time spent up to now is 324.7 secs Computing kpt #: 249 total cpu time spent up to now is 326.0 secs Computing kpt #: 250 total cpu time spent up to now is 327.4 secs Computing kpt #: 251 total cpu time spent up to now is 328.7 secs Computing kpt #: 252 total cpu time spent up to now is 330.0 secs Computing kpt #: 253 total cpu time spent up to now is 331.3 secs Computing kpt #: 254 total cpu time spent up to now is 332.6 secs Computing kpt #: 255 total cpu time spent up to now is 333.9 secs Computing kpt #: 256 total cpu time spent up to now is 335.2 secs Computing kpt #: 257 total cpu time spent up to now is 336.5 secs Computing kpt #: 258 total cpu time spent up to now is 337.8 secs Computing kpt #: 259 total cpu time spent up to now is 339.0 secs Computing kpt #: 260 total cpu time spent up to now is 340.3 secs Computing kpt #: 261 total cpu time spent up to now is 341.5 secs Computing kpt #: 262 total cpu time spent up to now is 342.8 secs Computing kpt #: 263 total cpu time spent up to now is 344.0 secs Computing kpt #: 264 total cpu time spent up to now is 345.3 secs Computing kpt #: 265 total cpu time spent up to now is 346.5 secs Computing kpt #: 266 total cpu time spent up to now is 347.8 secs Computing kpt #: 267 total cpu time spent up to now is 348.9 secs Computing kpt #: 268 total cpu time spent up to now is 350.1 secs Computing kpt #: 269 total cpu time spent up to now is 351.3 secs Computing kpt #: 270 total cpu time spent up to now is 352.6 secs Computing kpt #: 271 total cpu time spent up to now is 353.8 secs Computing kpt #: 272 total cpu time spent up to now is 355.0 secs Computing kpt #: 273 total cpu time spent up to now is 356.3 secs Computing kpt #: 274 total cpu time spent up to now is 357.5 secs Computing kpt #: 275 total cpu time spent up to now is 358.7 secs Computing kpt #: 276 total cpu time spent up to now is 359.9 secs Computing kpt #: 277 total cpu time spent up to now is 361.1 secs Computing kpt #: 278 total cpu time spent up to now is 362.3 secs Computing kpt #: 279 total cpu time spent up to now is 363.5 secs Computing kpt #: 280 total cpu time spent up to now is 364.7 secs Computing kpt #: 281 total cpu time spent up to now is 365.9 secs Computing kpt #: 282 total cpu time spent up to now is 367.0 secs Computing kpt #: 283 total cpu time spent up to now is 368.2 secs Computing kpt #: 284 total cpu time spent up to now is 369.4 secs Computing kpt #: 285 total cpu time spent up to now is 370.5 secs Computing kpt #: 286 total cpu time spent up to now is 371.7 secs Computing kpt #: 287 total cpu time spent up to now is 372.8 secs Computing kpt #: 288 total cpu time spent up to now is 374.4 secs Computing kpt #: 289 total cpu time spent up to now is 376.0 secs Computing kpt #: 290 total cpu time spent up to now is 377.7 secs Computing kpt #: 291 total cpu time spent up to now is 379.3 secs Computing kpt #: 292 total cpu time spent up to now is 380.9 secs Computing kpt #: 293 total cpu time spent up to now is 382.4 secs Computing kpt #: 294 total cpu time spent up to now is 384.0 secs Computing kpt #: 295 total cpu time spent up to now is 385.6 secs Computing kpt #: 296 total cpu time spent up to now is 387.6 secs Computing kpt #: 297 total cpu time spent up to now is 389.1 secs Computing kpt #: 298 total cpu time spent up to now is 390.6 secs Computing kpt #: 299 total cpu time spent up to now is 392.2 secs Computing kpt #: 300 total cpu time spent up to now is 393.7 secs Computing kpt #: 301 total cpu time spent up to now is 395.2 secs Computing kpt #: 302 total cpu time spent up to now is 396.7 secs Computing kpt #: 303 total cpu time spent up to now is 398.3 secs Computing kpt #: 304 total cpu time spent up to now is 399.8 secs ethr = 2.50E-08, avg # of iterations = 16.8 total cpu time spent up to now is 399.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 15467 PWs) bands (ev): -43.4691 -43.4691 -42.3558 -42.3558 -42.3486 -42.3486 -42.0797 -42.0797 -15.7127 -15.7127 -15.2916 -15.2916 -15.2580 -15.2580 -15.2578 -15.2578 -6.1946 -6.1946 -5.9576 -5.9576 -5.4817 -5.4817 -5.4813 -5.4813 -2.5130 -2.5130 -1.8766 -1.8766 -1.8754 -1.8754 -1.4899 -1.4899 -0.4753 -0.4753 -0.2166 -0.2166 0.4614 0.4614 0.4644 0.4644 4.1315 4.1315 5.9664 5.9664 7.6872 7.6872 7.6873 7.6873 k = 0.0000 0.0000 0.0194 ( 15465 PWs) bands (ev): -43.4691 -43.4691 -42.3558 -42.3558 -42.3486 -42.3486 -42.0797 -42.0797 -15.7124 -15.7124 -15.2916 -15.2916 -15.2581 -15.2581 -15.2579 -15.2579 -6.1944 -6.1944 -5.9574 -5.9574 -5.4822 -5.4822 -5.4813 -5.4813 -2.5128 -2.5128 -1.8772 -1.8771 -1.8759 -1.8757 -1.4895 -1.4894 -0.4750 -0.4748 -0.2163 -0.2161 0.4601 0.4601 0.4638 0.4638 4.1338 4.1338 5.9689 5.9690 7.6877 7.6878 7.6888 7.6889 k = 0.0000 0.0000 0.0388 ( 15465 PWs) bands (ev): -43.4691 -43.4691 -42.3558 -42.3558 -42.3486 -42.3486 -42.0797 -42.0797 -15.7117 -15.7117 -15.2918 -15.2918 -15.2585 -15.2585 -15.2581 -15.2581 -6.1939 -6.1939 -5.9567 -5.9567 -5.4841 -5.4841 -5.4812 -5.4812 -2.5124 -2.5123 -1.8791 -1.8788 -1.8769 -1.8766 -1.4882 -1.4881 -0.4738 -0.4735 -0.2152 -0.2150 0.4546 0.4547 0.4636 0.4637 4.1407 4.1407 5.9767 5.9767 7.6892 7.6894 7.6936 7.6937 k = 0.0000 0.0000 0.0583 ( 15459 PWs) bands (ev): -43.4691 -43.4691 -42.3557 -42.3557 -42.3486 -42.3486 -42.0798 -42.0798 -15.7106 -15.7106 -15.2920 -15.2920 -15.2591 -15.2591 -15.2584 -15.2584 -6.1932 -6.1932 -5.9555 -5.9554 -5.4872 -5.4871 -5.4809 -5.4809 -2.5116 -2.5115 -1.8825 -1.8820 -1.8782 -1.8777 -1.4862 -1.4860 -0.4718 -0.4714 -0.2134 -0.2130 0.4448 0.4448 0.4642 0.4642 4.1521 4.1521 5.9895 5.9896 7.6917 7.6919 7.7015 7.7016 k = 0.0000 0.0000 0.0777 ( 15469 PWs) bands (ev): -43.4691 -43.4691 -42.3557 -42.3557 -42.3486 -42.3486 -42.0798 -42.0798 -15.7090 -15.7089 -15.2924 -15.2924 -15.2600 -15.2600 -15.2588 -15.2588 -6.1923 -6.1922 -5.9537 -5.9536 -5.4915 -5.4914 -5.4806 -5.4806 -2.5105 -2.5104 -1.8872 -1.8865 -1.8798 -1.8793 -1.4834 -1.4831 -0.4691 -0.4685 -0.2108 -0.2103 0.4311 0.4312 0.4651 0.4652 4.1679 4.1679 6.0074 6.0074 7.6950 7.6953 7.7126 7.7127 k = 0.0000 0.0000 0.0971 ( 15467 PWs) bands (ev): -43.4691 -43.4691 -42.3556 -42.3556 -42.3486 -42.3486 -42.0798 -42.0798 -15.7069 -15.7069 -15.2929 -15.2929 -15.2611 -15.2611 -15.2593 -15.2593 -6.1913 -6.1912 -5.9512 -5.9511 -5.4969 -5.4969 -5.4801 -5.4801 -2.5092 -2.5090 -1.8931 -1.8922 -1.8818 -1.8812 -1.4800 -1.4796 -0.4657 -0.4649 -0.2074 -0.2068 0.4138 0.4138 0.4664 0.4665 4.1880 4.1880 6.0301 6.0302 7.6991 7.6995 7.7268 7.7269 k = 0.0000 0.0000 0.1165 ( 15467 PWs) bands (ev): -43.4691 -43.4691 -42.3556 -42.3556 -42.3486 -42.3486 -42.0799 -42.0799 -15.7043 -15.7043 -15.2936 -15.2936 -15.2624 -15.2624 -15.2599 -15.2598 -6.1903 -6.1903 -5.9479 -5.9478 -5.5036 -5.5035 -5.4796 -5.4796 -2.5076 -2.5073 -1.9000 -1.8990 -1.8842 -1.8835 -1.4760 -1.4755 -0.4616 -0.4607 -0.2031 -0.2024 0.3931 0.3931 0.4679 0.4680 4.2122 4.2123 6.0577 6.0578 7.7037 7.7043 7.7439 7.7441 k = 0.0000 0.0000 0.1360 ( 15459 PWs) bands (ev): -43.4691 -43.4691 -42.3555 -42.3555 -42.3486 -42.3486 -42.0800 -42.0800 -15.7014 -15.7014 -15.2945 -15.2945 -15.2638 -15.2638 -15.2605 -15.2605 -6.1896 -6.1895 -5.9437 -5.9436 -5.5113 -5.5112 -5.4789 -5.4789 -2.5057 -2.5055 -1.9079 -1.9067 -1.8869 -1.8861 -1.4715 -1.4710 -0.4570 -0.4560 -0.1978 -0.1970 0.3693 0.3693 0.4697 0.4698 4.2405 4.2405 6.0898 6.0899 7.7088 7.7094 7.7641 7.7643 k = 0.0000 0.0000 0.1554 ( 15441 PWs) bands (ev): -43.4691 -43.4691 -42.3554 -42.3554 -42.3487 -42.3487 -42.0800 -42.0800 -15.6980 -15.6980 -15.2957 -15.2956 -15.2654 -15.2654 -15.2613 -15.2613 -6.1892 -6.1891 -5.9385 -5.9384 -5.5200 -5.5200 -5.4782 -5.4782 -2.5037 -2.5034 -1.9166 -1.9153 -1.8898 -1.8889 -1.4667 -1.4662 -0.4519 -0.4508 -0.1916 -0.1907 0.3427 0.3428 0.4718 0.4719 4.2725 4.2725 6.1264 6.1265 7.7139 7.7146 7.7871 7.7874 k = 0.0000 0.0000 0.1748 ( 15449 PWs) bands (ev): -43.4691 -43.4691 -42.3552 -42.3552 -42.3487 -42.3487 -42.0801 -42.0801 -15.6941 -15.6941 -15.2971 -15.2971 -15.2670 -15.2670 -15.2620 -15.2620 -6.1893 -6.1892 -5.9322 -5.9321 -5.5297 -5.5297 -5.4774 -5.4774 -2.5015 -2.5012 -1.9261 -1.9246 -1.8929 -1.8920 -1.4616 -1.4611 -0.4466 -0.4454 -0.1843 -0.1833 0.3137 0.3138 0.4741 0.4742 4.3081 4.3082 6.1672 6.1673 7.7189 7.7197 7.8128 7.8132 k = 0.0000 0.0000 0.1942 ( 15451 PWs) bands (ev): -43.4691 -43.4691 -42.3551 -42.3551 -42.3487 -42.3487 -42.0802 -42.0802 -15.6899 -15.6899 -15.2988 -15.2988 -15.2688 -15.2688 -15.2628 -15.2628 -6.1901 -6.1900 -5.9247 -5.9246 -5.5404 -5.5403 -5.4765 -5.4765 -2.4993 -2.4989 -1.9361 -1.9345 -1.8962 -1.8951 -1.4565 -1.4559 -0.4411 -0.4398 -0.1759 -0.1748 0.2827 0.2828 0.4766 0.4768 4.3471 4.3472 6.2120 6.2121 7.7234 7.7243 7.8412 7.8416 k = 0.0000 0.0000 0.2137 ( 15450 PWs) bands (ev): -43.4691 -43.4691 -42.3550 -42.3550 -42.3488 -42.3488 -42.0803 -42.0803 -15.6853 -15.6852 -15.3008 -15.3008 -15.2706 -15.2706 -15.2637 -15.2637 -6.1916 -6.1915 -5.9159 -5.9158 -5.5518 -5.5518 -5.4755 -5.4755 -2.4970 -2.4965 -1.9465 -1.9448 -1.8995 -1.8984 -1.4513 -1.4507 -0.4356 -0.4343 -0.1664 -0.1653 0.2501 0.2502 0.4794 0.4795 4.3893 4.3894 6.2604 6.2606 7.7270 7.7280 7.8720 7.8724 k = 0.0000 0.0000 0.2331 ( 15452 PWs) bands (ev): -43.4691 -43.4691 -42.3548 -42.3548 -42.3488 -42.3488 -42.0804 -42.0804 -15.6802 -15.6802 -15.3033 -15.3032 -15.2724 -15.2724 -15.2645 -15.2645 -6.1940 -6.1939 -5.9058 -5.9057 -5.5640 -5.5639 -5.4744 -5.4744 -2.4947 -2.4942 -1.9574 -1.9555 -1.9028 -1.9016 -1.4462 -1.4456 -0.4303 -0.4289 -0.1559 -0.1547 0.2165 0.2166 0.4823 0.4825 4.4345 4.4345 6.3124 6.3125 7.7293 7.7305 7.9051 7.9055 k = 0.0000 0.0000 0.2525 ( 15458 PWs) bands (ev): -43.4691 -43.4691 -42.3547 -42.3547 -42.3489 -42.3489 -42.0806 -42.0806 -15.6748 -15.6748 -15.3060 -15.3060 -15.2742 -15.2742 -15.2652 -15.2652 -6.1973 -6.1972 -5.8944 -5.8943 -5.5768 -5.5767 -5.4733 -5.4733 -2.4924 -2.4919 -1.9685 -1.9665 -1.9060 -1.9048 -1.4412 -1.4407 -0.4253 -0.4239 -0.1445 -0.1433 0.1824 0.1825 0.4855 0.4856 4.4824 4.4825 6.3675 6.3676 7.7299 7.7311 7.9401 7.9406 k = 0.0000 0.0000 0.2719 ( 15470 PWs) bands (ev): -43.4691 -43.4691 -42.3545 -42.3545 -42.3489 -42.3489 -42.0807 -42.0807 -15.6691 -15.6691 -15.3091 -15.3091 -15.2761 -15.2761 -15.2659 -15.2659 -6.2015 -6.2015 -5.8818 -5.8817 -5.5901 -5.5900 -5.4721 -5.4721 -2.4903 -2.4897 -1.9797 -1.9777 -1.9090 -1.9078 -1.4365 -1.4360 -0.4209 -0.4194 -0.1325 -0.1314 0.1486 0.1487 0.4888 0.4889 4.5329 4.5329 6.4256 6.4257 7.7282 7.7296 7.9768 7.9774 k = 0.0000 0.0000 0.2914 ( 15500 PWs) bands (ev): -43.4691 -43.4691 -42.3544 -42.3544 -42.3490 -42.3490 -42.0808 -42.0808 -15.6630 -15.6630 -15.3125 -15.3125 -15.2780 -15.2780 -15.2666 -15.2666 -6.2066 -6.2066 -5.8682 -5.8681 -5.6038 -5.6037 -5.4708 -5.4708 -2.4884 -2.4877 -1.9911 -1.9890 -1.9118 -1.9105 -1.4322 -1.4316 -0.4171 -0.4157 -0.1208 -0.1197 0.1163 0.1164 0.4922 0.4924 4.5857 4.5858 6.4862 6.4863 7.7240 7.7254 8.0148 8.0155 k = 0.0000 0.0000 0.3108 ( 15496 PWs) bands (ev): -43.4691 -43.4691 -42.3542 -42.3542 -42.3490 -42.3490 -42.0810 -42.0810 -15.6566 -15.6566 -15.3162 -15.3162 -15.2800 -15.2800 -15.2672 -15.2672 -6.2127 -6.2127 -5.8536 -5.8535 -5.6177 -5.6176 -5.4694 -5.4694 -2.4866 -2.4859 -2.0024 -2.0003 -1.9143 -1.9129 -1.4282 -1.4277 -0.4142 -0.4128 -0.1105 -0.1095 0.0872 0.0874 0.4958 0.4960 4.6407 4.6408 6.5491 6.5492 7.7167 7.7182 8.0536 8.0543 k = 0.0000 0.0000 0.3302 ( 15500 PWs) bands (ev): -43.4691 -43.4691 -42.3540 -42.3540 -42.3490 -42.3490 -42.0811 -42.0811 -15.6499 -15.6499 -15.3202 -15.3202 -15.2821 -15.2821 -15.2678 -15.2678 -6.2196 -6.2196 -5.8382 -5.8382 -5.6316 -5.6315 -5.4680 -5.4680 -2.4852 -2.4844 -2.0137 -2.0115 -1.9163 -1.9150 -1.4247 -1.4242 -0.4125 -0.4112 -0.1042 -0.1033 0.0642 0.0646 0.4995 0.4997 4.6977 4.6978 6.6139 6.6140 7.7062 7.7078 8.0925 8.0933 k = 0.0000 0.0000 0.3496 ( 15502 PWs) bands (ev): -43.4691 -43.4691 -42.3538 -42.3538 -42.3491 -42.3491 -42.0813 -42.0813 -15.6430 -15.6429 -15.3243 -15.3243 -15.2842 -15.2842 -15.2684 -15.2684 -6.2273 -6.2273 -5.8225 -5.8224 -5.6453 -5.6452 -5.4666 -5.4665 -2.4841 -2.4833 -2.0248 -2.0226 -1.9178 -1.9165 -1.4216 -1.4212 -0.4121 -0.4109 -0.1052 -0.1044 0.0510 0.0516 0.5033 0.5035 4.7566 4.7566 6.6802 6.6803 7.6923 7.6939 8.1307 8.1316 k = 0.0000 0.0000 0.3690 ( 15504 PWs) bands (ev): -43.4691 -43.4691 -42.3536 -42.3536 -42.3491 -42.3491 -42.0814 -42.0814 -15.6358 -15.6357 -15.3287 -15.3286 -15.2864 -15.2863 -15.2689 -15.2689 -6.2358 -6.2357 -5.8068 -5.8067 -5.6583 -5.6582 -5.4650 -5.4650 -2.4834 -2.4825 -2.0358 -2.0336 -1.9188 -1.9175 -1.4192 -1.4187 -0.4135 -0.4123 -0.1155 -0.1147 0.0501 0.0509 0.5072 0.5074 4.8170 4.8171 6.7475 6.7476 7.6752 7.6768 8.1673 8.1682 k = 0.0000 0.0000 0.3885 ( 15496 PWs) bands (ev): -43.4691 -43.4691 -42.3534 -42.3534 -42.3492 -42.3492 -42.0816 -42.0816 -15.6283 -15.6283 -15.3331 -15.3331 -15.2886 -15.2886 -15.2695 -15.2695 -6.2449 -6.2448 -5.7919 -5.7918 -5.6698 -5.6697 -5.4634 -5.4634 -2.4831 -2.4822 -2.0466 -2.0444 -1.9191 -1.9179 -1.4173 -1.4169 -0.4169 -0.4158 -0.1329 -0.1320 0.0598 0.0608 0.5111 0.5113 4.8790 4.8791 6.8152 6.8154 7.6552 7.6569 8.2008 8.2018 k = 0.0000 0.0000 0.4079 ( 15484 PWs) bands (ev): -43.4691 -43.4691 -42.3532 -42.3532 -42.3493 -42.3493 -42.0817 -42.0817 -15.6207 -15.6207 -15.3377 -15.3377 -15.2909 -15.2909 -15.2700 -15.2700 -6.2546 -6.2545 -5.7793 -5.7792 -5.6786 -5.6785 -5.4618 -5.4617 -2.4832 -2.4822 -2.0571 -2.0549 -1.9188 -1.9176 -1.4161 -1.4157 -0.4227 -0.4217 -0.1536 -0.1526 0.0769 0.0779 0.5151 0.5153 4.9423 4.9424 6.8826 6.8829 7.6332 7.6348 8.2299 8.2311 k = 0.0000 0.0000 0.4273 ( 15492 PWs) bands (ev): -43.4691 -43.4691 -42.3530 -42.3530 -42.3493 -42.3493 -42.0819 -42.0819 -15.6129 -15.6128 -15.3423 -15.3423 -15.2932 -15.2932 -15.2706 -15.2706 -6.2649 -6.2648 -5.7710 -5.7709 -5.6825 -5.6824 -5.4600 -5.4600 -2.4838 -2.4828 -2.0673 -2.0652 -1.9177 -1.9166 -1.4155 -1.4152 -0.4313 -0.4304 -0.1744 -0.1732 0.0986 0.0996 0.5191 0.5193 5.0067 5.0068 6.9486 6.9491 7.6103 7.6118 8.2533 8.2545 k = 0.0000 0.0000 0.4467 ( 15496 PWs) bands (ev): -43.4691 -43.4691 -42.3528 -42.3528 -42.3494 -42.3494 -42.0820 -42.0820 -15.6049 -15.6049 -15.3469 -15.3469 -15.2956 -15.2956 -15.2712 -15.2712 -6.2756 -6.2755 -5.7693 -5.7691 -5.6795 -5.6793 -5.4582 -5.4582 -2.4849 -2.4838 -2.0773 -2.0752 -1.9160 -1.9149 -1.4156 -1.4153 -0.4429 -0.4421 -0.1933 -0.1921 0.1232 0.1241 0.5231 0.5233 5.0722 5.0723 7.0117 7.0123 7.5883 7.5897 8.2701 8.2713 k = 0.0000 0.0000 0.4662 ( 15484 PWs) bands (ev): -43.4691 -43.4691 -42.3526 -42.3526 -42.3494 -42.3494 -42.0822 -42.0822 -15.5968 -15.5968 -15.3515 -15.3515 -15.2981 -15.2981 -15.2719 -15.2719 -6.2866 -6.2865 -5.7738 -5.7736 -5.6699 -5.6697 -5.4563 -5.4562 -2.4864 -2.4853 -2.0869 -2.0848 -1.9135 -1.9124 -1.4165 -1.4162 -0.4576 -0.4568 -0.2095 -0.2082 0.1497 0.1506 0.5271 0.5273 5.1385 5.1386 7.0694 7.0701 7.5700 7.5712 8.2797 8.2810 k = 0.0000 0.0000 0.4856 ( 15486 PWs) bands (ev): -43.4691 -43.4691 -42.3524 -42.3524 -42.3495 -42.3495 -42.0823 -42.0823 -15.5887 -15.5887 -15.3561 -15.3561 -15.3006 -15.3006 -15.2726 -15.2726 -6.2980 -6.2978 -5.7823 -5.7821 -5.6560 -5.6558 -5.4543 -5.4542 -2.4883 -2.4871 -2.0962 -2.0942 -1.9102 -1.9093 -1.4180 -1.4178 -0.4750 -0.4743 -0.2225 -0.2212 0.1776 0.1785 0.5310 0.5312 5.2056 5.2057 7.1182 7.1191 7.5592 7.5601 8.2825 8.2837 k = 0.0000 0.0000 0.5050 ( 15484 PWs) bands (ev): -43.4691 -43.4691 -42.3522 -42.3522 -42.3495 -42.3495 -42.0825 -42.0825 -15.5805 -15.5805 -15.3606 -15.3606 -15.3031 -15.3031 -15.2734 -15.2734 -6.3095 -6.3093 -5.7928 -5.7927 -5.6399 -5.6397 -5.4522 -5.4521 -2.4906 -2.4894 -2.1052 -2.1032 -1.9062 -1.9054 -1.4203 -1.4201 -0.4945 -0.4939 -0.2326 -0.2313 0.2064 0.2072 0.5349 0.5351 5.2732 5.2733 7.1535 7.1547 7.5606 7.5612 8.2790 8.2801 k = 0.0000 0.0000 0.5244 ( 15486 PWs) bands (ev): -43.4691 -43.4691 -42.3520 -42.3520 -42.3496 -42.3496 -42.0826 -42.0826 -15.5723 -15.5723 -15.3650 -15.3650 -15.3057 -15.3057 -15.2743 -15.2743 -6.3211 -6.3210 -5.8041 -5.8041 -5.6229 -5.6227 -5.4498 -5.4497 -2.4933 -2.4921 -2.1138 -2.1119 -1.9016 -1.9008 -1.4232 -1.4231 -0.5156 -0.5149 -0.2401 -0.2388 0.2358 0.2365 0.5387 0.5389 5.3411 5.3413 7.1717 7.1732 7.5779 7.5784 8.2699 8.2710 k = 0.0000 0.0000 0.5439 ( 15494 PWs) bands (ev): -43.4691 -43.4691 -42.3518 -42.3518 -42.3496 -42.3496 -42.0828 -42.0828 -15.5641 -15.5641 -15.3693 -15.3692 -15.3084 -15.3083 -15.2752 -15.2752 -6.3328 -6.3326 -5.8158 -5.8157 -5.6056 -5.6054 -5.4473 -5.4472 -2.4962 -2.4950 -2.1220 -2.1203 -1.8963 -1.8956 -1.4269 -1.4268 -0.5374 -0.5368 -0.2455 -0.2443 0.2654 0.2660 0.5425 0.5427 5.4093 5.4094 7.1730 7.1746 7.6108 7.6113 8.2561 8.2572 k = 0.0000 0.0000 0.5633 ( 15488 PWs) bands (ev): -43.4691 -43.4691 -42.3516 -42.3516 -42.3497 -42.3497 -42.0829 -42.0829 -15.5559 -15.5559 -15.3733 -15.3733 -15.3110 -15.3110 -15.2762 -15.2762 -6.3444 -6.3442 -5.8273 -5.8272 -5.5886 -5.5885 -5.4445 -5.4444 -2.4994 -2.4983 -2.1298 -2.1282 -1.8905 -1.8898 -1.4312 -1.4311 -0.5593 -0.5587 -0.2493 -0.2482 0.2949 0.2955 0.5461 0.5463 5.4774 5.4776 7.1612 7.1628 7.6552 7.6556 8.2389 8.2399 k = 0.0000 0.0000 0.5827 ( 15498 PWs) bands (ev): -43.4691 -43.4691 -42.3514 -42.3514 -42.3497 -42.3497 -42.0831 -42.0831 -15.5479 -15.5479 -15.3772 -15.3772 -15.3137 -15.3137 -15.2772 -15.2772 -6.3558 -6.3557 -5.8385 -5.8385 -5.5722 -5.5721 -5.4414 -5.4412 -2.5028 -2.5017 -2.1373 -2.1358 -1.8841 -1.8835 -1.4362 -1.4361 -0.5809 -0.5803 -0.2519 -0.2508 0.3241 0.3247 0.5497 0.5499 5.5453 5.5455 7.1409 7.1425 7.7052 7.7056 8.2198 8.2208 k = 0.0000 0.0000 0.6021 ( 15512 PWs) bands (ev): -43.4691 -43.4691 -42.3513 -42.3513 -42.3498 -42.3498 -42.0832 -42.0832 -15.5400 -15.5400 -15.3808 -15.3808 -15.3164 -15.3164 -15.2783 -15.2783 -6.3670 -6.3669 -5.8493 -5.8492 -5.5568 -5.5566 -5.4378 -5.4376 -2.5063 -2.5052 -2.1444 -2.1430 -1.8774 -1.8768 -1.4417 -1.4416 -0.6017 -0.6011 -0.2535 -0.2526 0.3528 0.3533 0.5532 0.5533 5.6127 5.6129 7.1161 7.1176 7.7547 7.7552 8.2020 8.2030 k = 0.0000 0.0000 0.6216 ( 15494 PWs) bands (ev): -43.4691 -43.4691 -42.3511 -42.3511 -42.3498 -42.3498 -42.0833 -42.0833 -15.5323 -15.5323 -15.3842 -15.3842 -15.3192 -15.3192 -15.2794 -15.2794 -6.3779 -6.3777 -5.8595 -5.8594 -5.5426 -5.5424 -5.4338 -5.4336 -2.5099 -2.5089 -2.1511 -2.1498 -1.8703 -1.8698 -1.4478 -1.4476 -0.6214 -0.6209 -0.2545 -0.2536 0.3806 0.3810 0.5565 0.5567 5.6794 5.6795 7.0891 7.0906 7.7972 7.7977 8.1903 8.1912 k = 0.0000 0.0000 0.6410 ( 15496 PWs) bands (ev): -43.4691 -43.4691 -42.3509 -42.3509 -42.3499 -42.3499 -42.0835 -42.0835 -15.5249 -15.5249 -15.3873 -15.3872 -15.3220 -15.3220 -15.2805 -15.2805 -6.3884 -6.3882 -5.8691 -5.8690 -5.5297 -5.5296 -5.4291 -5.4289 -2.5135 -2.5125 -2.1573 -2.1562 -1.8630 -1.8625 -1.4542 -1.4541 -0.6399 -0.6394 -0.2550 -0.2542 0.4074 0.4078 0.5598 0.5600 5.7448 5.7450 7.0619 7.0632 7.8249 7.8255 8.1912 8.1922 k = 0.0000 0.0000 0.6604 ( 15476 PWs) bands (ev): -43.4691 -43.4691 -42.3508 -42.3508 -42.3499 -42.3499 -42.0836 -42.0836 -15.5178 -15.5178 -15.3900 -15.3900 -15.3248 -15.3248 -15.2817 -15.2817 -6.3983 -6.3982 -5.8780 -5.8780 -5.5185 -5.5183 -5.4238 -5.4236 -2.5171 -2.5161 -2.1631 -2.1621 -1.8555 -1.8551 -1.4610 -1.4608 -0.6569 -0.6565 -0.2551 -0.2544 0.4328 0.4331 0.5630 0.5632 5.8088 5.8090 7.0356 7.0368 7.8322 7.8327 8.2106 8.2115 k = 0.0000 0.0000 0.6798 ( 15462 PWs) bands (ev): -43.4691 -43.4691 -42.3506 -42.3506 -42.3499 -42.3499 -42.0837 -42.0837 -15.5110 -15.5110 -15.3924 -15.3924 -15.3277 -15.3277 -15.2828 -15.2828 -6.4077 -6.4076 -5.8863 -5.8862 -5.5089 -5.5087 -5.4179 -5.4177 -2.5205 -2.5196 -2.1685 -2.1676 -1.8480 -1.8476 -1.4680 -1.4678 -0.6725 -0.6721 -0.2550 -0.2543 0.4567 0.4569 0.5661 0.5663 5.8708 5.8709 7.0111 7.0122 7.8190 7.8195 8.2483 8.2490 k = 0.0000 0.0000 0.6992 ( 15458 PWs) bands (ev): -43.4691 -43.4691 -42.3505 -42.3505 -42.3499 -42.3499 -42.0838 -42.0838 -15.5047 -15.5047 -15.3944 -15.3943 -15.3305 -15.3305 -15.2839 -15.2839 -6.4165 -6.4163 -5.8938 -5.8937 -5.5009 -5.5008 -5.4116 -5.4114 -2.5238 -2.5230 -2.1734 -2.1726 -1.8407 -1.8403 -1.4750 -1.4748 -0.6865 -0.6862 -0.2547 -0.2541 0.4787 0.4789 0.5693 0.5695 5.9302 5.9303 6.9891 6.9901 7.7909 7.7913 8.2990 8.2996 k = 0.0000 0.0000 0.7187 ( 15458 PWs) bands (ev): -43.4691 -43.4691 -42.3504 -42.3504 -42.3500 -42.3500 -42.0839 -42.0839 -15.4989 -15.4989 -15.3959 -15.3959 -15.3333 -15.3333 -15.2850 -15.2850 -6.4245 -6.4244 -5.9006 -5.9005 -5.4945 -5.4943 -5.4050 -5.4048 -2.5268 -2.5261 -2.1778 -2.1771 -1.8335 -1.8332 -1.4820 -1.4818 -0.6990 -0.6987 -0.2543 -0.2538 0.4985 0.4986 0.5726 0.5728 5.9863 5.9865 6.9701 6.9711 7.7538 7.7541 8.3574 8.3578 k = 0.0000 0.0000 0.7381 ( 15446 PWs) bands (ev): -43.4691 -43.4691 -42.3503 -42.3503 -42.3500 -42.3500 -42.0839 -42.0839 -15.4936 -15.4936 -15.3971 -15.3971 -15.3361 -15.3361 -15.2860 -15.2860 -6.4317 -6.4316 -5.9066 -5.9065 -5.4894 -5.4892 -5.3984 -5.3982 -2.5296 -2.5290 -2.1818 -2.1812 -1.8267 -1.8264 -1.4887 -1.4885 -0.7099 -0.7096 -0.2539 -0.2534 0.5158 0.5159 0.5761 0.5764 6.0386 6.0387 6.9547 6.9555 7.7121 7.7123 8.4192 8.4195 k = 0.0000 0.0000 0.7575 ( 15458 PWs) bands (ev): -43.4691 -43.4691 -42.3502 -42.3502 -42.3500 -42.3500 -42.0840 -42.0840 -15.4890 -15.4890 -15.3979 -15.3979 -15.3388 -15.3388 -15.2869 -15.2869 -6.4381 -6.4380 -5.9118 -5.9117 -5.4853 -5.4852 -5.3921 -5.3919 -2.5321 -2.5316 -2.1852 -2.1847 -1.8204 -1.8201 -1.4950 -1.4948 -0.7193 -0.7190 -0.2534 -0.2530 0.5302 0.5303 0.5802 0.5804 6.0861 6.0862 6.9430 6.9437 7.6689 7.6691 8.4816 8.4820 k = 0.0000 0.0000 0.7769 ( 15454 PWs) bands (ev): -43.4691 -43.4691 -42.3501 -42.3501 -42.3500 -42.3500 -42.0841 -42.0841 -15.4850 -15.4850 -15.3983 -15.3983 -15.3413 -15.3413 -15.2877 -15.2877 -6.4436 -6.4435 -5.9162 -5.9162 -5.4822 -5.4821 -5.3864 -5.3862 -2.5343 -2.5338 -2.1881 -2.1877 -1.8147 -1.8144 -1.5008 -1.5006 -0.7271 -0.7269 -0.2529 -0.2526 0.5414 0.5416 0.5848 0.5851 6.1280 6.1281 6.9350 6.9357 7.6269 7.6270 8.5421 8.5426 k = 0.0000 0.0000 0.7964 ( 15446 PWs) bands (ev): -43.4691 -43.4691 -42.3501 -42.3501 -42.3501 -42.3501 -42.0841 -42.0841 -15.4818 -15.4818 -15.3984 -15.3984 -15.3436 -15.3436 -15.2883 -15.2883 -6.4482 -6.4481 -5.9198 -5.9198 -5.4799 -5.4798 -5.3814 -5.3813 -2.5361 -2.5357 -2.1905 -2.1902 -1.8097 -1.8096 -1.5058 -1.5056 -0.7334 -0.7333 -0.2525 -0.2523 0.5495 0.5496 0.5900 0.5902 6.1635 6.1636 6.9306 6.9311 7.5881 7.5882 8.5977 8.5984 k = 0.0000 0.0000 0.8158 ( 15448 PWs) bands (ev): -43.4691 -43.4691 -42.3501 -42.3501 -42.3500 -42.3500 -42.0842 -42.0842 -15.4792 -15.4792 -15.3983 -15.3983 -15.3455 -15.3455 -15.2889 -15.2889 -6.4518 -6.4517 -5.9227 -5.9227 -5.4781 -5.4781 -5.3774 -5.3773 -2.5375 -2.5372 -2.1924 -2.1922 -1.8057 -1.8056 -1.5099 -1.5098 -0.7383 -0.7382 -0.2522 -0.2520 0.5549 0.5550 0.5950 0.5952 6.1918 6.1919 6.9289 6.9293 7.5548 7.5549 8.6436 8.6445 k = 0.0000 0.0000 0.8352 ( 15452 PWs) bands (ev): -43.4691 -43.4691 -42.3501 -42.3501 -42.3500 -42.3500 -42.0842 -42.0842 -15.4774 -15.4774 -15.3981 -15.3981 -15.3470 -15.3470 -15.2893 -15.2893 -6.4543 -6.4543 -5.9247 -5.9247 -5.4770 -5.4769 -5.3744 -5.3744 -2.5385 -2.5383 -2.1937 -2.1936 -1.8027 -1.8027 -1.5129 -1.5128 -0.7418 -0.7417 -0.2519 -0.2518 0.5582 0.5583 0.5992 0.5993 6.2125 6.2125 6.9290 6.9293 7.5290 7.5291 8.6740 8.6747 k = 0.0000 0.0000 0.8546 ( 15474 PWs) bands (ev): -43.4691 -43.4691 -42.3501 -42.3501 -42.3499 -42.3499 -42.0842 -42.0842 -15.4763 -15.4763 -15.3979 -15.3979 -15.3480 -15.3480 -15.2895 -15.2895 -6.4559 -6.4559 -5.9259 -5.9259 -5.4763 -5.4763 -5.3726 -5.3726 -2.5391 -2.5390 -2.1945 -2.1944 -1.8009 -1.8009 -1.5148 -1.5147 -0.7439 -0.7438 -0.2518 -0.2517 0.5600 0.5600 0.6020 0.6020 6.2250 6.2250 6.9298 6.9299 7.5126 7.5127 8.6885 8.6889 k = 0.0000 0.0000 0.8741 ( 15474 PWs) bands (ev): -43.4691 -43.4691 -42.3501 -42.3501 -42.3499 -42.3499 -42.0842 -42.0842 -15.4760 -15.4760 -15.3978 -15.3978 -15.3483 -15.3483 -15.2896 -15.2896 -6.4564 -6.4564 -5.9263 -5.9263 -5.4761 -5.4761 -5.3720 -5.3720 -2.5393 -2.5393 -2.1948 -2.1948 -1.8003 -1.8003 -1.5154 -1.5154 -0.7445 -0.7445 -0.2517 -0.2517 0.5606 0.5606 0.6030 0.6030 6.2292 6.2292 6.9302 6.9302 7.5070 7.5070 8.6926 8.6926 k = 0.0000 0.0000 0.8741 ( 15474 PWs) bands (ev): -43.4691 -43.4691 -42.3501 -42.3501 -42.3499 -42.3499 -42.0842 -42.0842 -15.4760 -15.4760 -15.3978 -15.3978 -15.3483 -15.3483 -15.2896 -15.2896 -6.4564 -6.4564 -5.9263 -5.9263 -5.4761 -5.4761 -5.3720 -5.3720 -2.5393 -2.5393 -2.1948 -2.1948 -1.8003 -1.8003 -1.5154 -1.5154 -0.7445 -0.7445 -0.2517 -0.2517 0.5606 0.5606 0.6030 0.6030 6.2292 6.2292 6.9302 6.9302 7.5070 7.5070 8.6926 8.6926 k =-0.0111 0.0159 0.8741 ( 15458 PWs) bands (ev): -43.4691 -43.4691 -42.3501 -42.3501 -42.3499 -42.3499 -42.0842 -42.0842 -15.4759 -15.4759 -15.3981 -15.3981 -15.3481 -15.3481 -15.2896 -15.2896 -6.4558 -6.4558 -5.9260 -5.9260 -5.4765 -5.4764 -5.3723 -5.3723 -2.5392 -2.5390 -2.1946 -2.1945 -1.8003 -1.8002 -1.5154 -1.5152 -0.7442 -0.7441 -0.2514 -0.2514 0.5596 0.5597 0.6024 0.6024 6.2293 6.2293 6.9230 6.9231 7.5128 7.5129 8.6910 8.6913 k =-0.0221 0.0317 0.8741 ( 15460 PWs) bands (ev): -43.4691 -43.4691 -42.3501 -42.3501 -42.3499 -42.3499 -42.0842 -42.0842 -15.4756 -15.4756 -15.3989 -15.3989 -15.3476 -15.3476 -15.2897 -15.2897 -6.4542 -6.4541 -5.9250 -5.9250 -5.4777 -5.4777 -5.3730 -5.3730 -2.5387 -2.5384 -2.1941 -2.1939 -1.8003 -1.8002 -1.5152 -1.5149 -0.7432 -0.7430 -0.2505 -0.2504 0.5568 0.5569 0.6006 0.6007 6.2296 6.2297 6.9025 6.9027 7.5292 7.5295 8.6863 8.6869 k =-0.0332 0.0476 0.8741 ( 15460 PWs) bands (ev): -43.4691 -43.4691 -42.3502 -42.3502 -42.3499 -42.3499 -42.0842 -42.0842 -15.4752 -15.4752 -15.4002 -15.4002 -15.3468 -15.3468 -15.2898 -15.2898 -6.4514 -6.4513 -5.9233 -5.9233 -5.4797 -5.4797 -5.3743 -5.3743 -2.5379 -2.5375 -2.1933 -2.1930 -1.8002 -1.8001 -1.5148 -1.5144 -0.7415 -0.7412 -0.2490 -0.2489 0.5520 0.5521 0.5980 0.5980 6.2302 6.2303 6.8710 6.8712 7.5539 7.5543 8.6776 8.6785 k =-0.0442 0.0634 0.8741 ( 15462 PWs) bands (ev): -43.4691 -43.4691 -42.3502 -42.3502 -42.3499 -42.3499 -42.0841 -42.0841 -15.4747 -15.4747 -15.4020 -15.4020 -15.3458 -15.3458 -15.2900 -15.2900 -6.4475 -6.4474 -5.9210 -5.9210 -5.4826 -5.4826 -5.3760 -5.3759 -2.5367 -2.5361 -2.1921 -2.1916 -1.8001 -1.7999 -1.5143 -1.5138 -0.7390 -0.7387 -0.2468 -0.2467 0.5449 0.5451 0.5947 0.5948 6.2308 6.2310 6.8309 6.8311 7.5839 7.5843 8.6639 8.6649 k =-0.0553 0.0793 0.8741 ( 15456 PWs) bands (ev): -43.4691 -43.4691 -42.3503 -42.3503 -42.3499 -42.3499 -42.0841 -42.0841 -15.4740 -15.4740 -15.4041 -15.4041 -15.3445 -15.3445 -15.2902 -15.2902 -6.4426 -6.4425 -5.9180 -5.9180 -5.4864 -5.4863 -5.3780 -5.3780 -2.5352 -2.5345 -2.1905 -2.1899 -1.7999 -1.7998 -1.5136 -1.5130 -0.7359 -0.7355 -0.2440 -0.2439 0.5354 0.5356 0.5911 0.5912 6.2316 6.2318 6.7846 6.7849 7.6162 7.6167 8.6444 8.6455 k =-0.0663 0.0951 0.8741 ( 15456 PWs) bands (ev): -43.4691 -43.4691 -42.3503 -42.3503 -42.3499 -42.3499 -42.0840 -42.0840 -15.4732 -15.4732 -15.4066 -15.4066 -15.3431 -15.3431 -15.2905 -15.2905 -6.4367 -6.4366 -5.9143 -5.9143 -5.4911 -5.4910 -5.3804 -5.3803 -2.5333 -2.5325 -2.1886 -2.1879 -1.7998 -1.7995 -1.5128 -1.5121 -0.7321 -0.7317 -0.2405 -0.2403 0.5235 0.5237 0.5872 0.5873 6.2322 6.2324 6.7339 6.7342 7.6486 7.6491 8.6193 8.6204 k =-0.0774 0.1110 0.8741 ( 15452 PWs) bands (ev): -43.4691 -43.4691 -42.3504 -42.3504 -42.3498 -42.3498 -42.0839 -42.0839 -15.4723 -15.4723 -15.4093 -15.4093 -15.3415 -15.3415 -15.2907 -15.2907 -6.4299 -6.4298 -5.9099 -5.9099 -5.4968 -5.4967 -5.3830 -5.3829 -2.5312 -2.5303 -2.1862 -2.1854 -1.7995 -1.7993 -1.5120 -1.5112 -0.7276 -0.7271 -0.2363 -0.2361 0.5091 0.5093 0.5833 0.5834 6.2326 6.2329 6.6803 6.6806 7.6786 7.6792 8.5890 8.5902 k =-0.0884 0.1268 0.8741 ( 15458 PWs) bands (ev): -43.4691 -43.4691 -42.3505 -42.3505 -42.3498 -42.3498 -42.0839 -42.0839 -15.4715 -15.4715 -15.4123 -15.4123 -15.3398 -15.3398 -15.2910 -15.2910 -6.4222 -6.4221 -5.9048 -5.9048 -5.5034 -5.5033 -5.3857 -5.3856 -2.5288 -2.5277 -2.1835 -2.1826 -1.7992 -1.7989 -1.5110 -1.5102 -0.7225 -0.7220 -0.2314 -0.2311 0.4925 0.4927 0.5792 0.5793 6.2325 6.2328 6.6247 6.6250 7.7043 7.7050 8.5543 8.5554 k =-0.0995 0.1427 0.8741 ( 15464 PWs) bands (ev): -43.4691 -43.4691 -42.3507 -42.3507 -42.3498 -42.3498 -42.0838 -42.0838 -15.4707 -15.4706 -15.4153 -15.4153 -15.3380 -15.3380 -15.2913 -15.2913 -6.4139 -6.4138 -5.8990 -5.8989 -5.5110 -5.5109 -5.3885 -5.3885 -2.5261 -2.5250 -2.1804 -2.1794 -1.7988 -1.7985 -1.5101 -1.5091 -0.7168 -0.7162 -0.2256 -0.2253 0.4739 0.4741 0.5749 0.5750 6.2315 6.2319 6.5681 6.5684 7.7240 7.7246 8.5159 8.5169 k =-0.1105 0.1585 0.8741 ( 15470 PWs) bands (ev): -43.4691 -43.4691 -42.3508 -42.3508 -42.3498 -42.3498 -42.0837 -42.0837 -15.4700 -15.4700 -15.4184 -15.4184 -15.3362 -15.3362 -15.2915 -15.2915 -6.4049 -6.4048 -5.8923 -5.8923 -5.5196 -5.5194 -5.3914 -5.3913 -2.5232 -2.5219 -2.1768 -2.1757 -1.7984 -1.7980 -1.5092 -1.5081 -0.7105 -0.7098 -0.2191 -0.2187 0.4535 0.4537 0.5705 0.5706 6.2291 6.2294 6.5116 6.5119 7.7359 7.7366 8.4742 8.4751 k =-0.1216 0.1744 0.8741 ( 15484 PWs) bands (ev): -43.4691 -43.4691 -42.3509 -42.3509 -42.3497 -42.3497 -42.0836 -42.0836 -15.4696 -15.4695 -15.4213 -15.4213 -15.3343 -15.3343 -15.2917 -15.2917 -6.3954 -6.3953 -5.8850 -5.8849 -5.5291 -5.5289 -5.3942 -5.3941 -2.5201 -2.5188 -2.1728 -2.1717 -1.7979 -1.7975 -1.5083 -1.5072 -0.7037 -0.7029 -0.2116 -0.2113 0.4316 0.4317 0.5659 0.5660 6.2241 6.2244 6.4565 6.4567 7.7389 7.7395 8.4298 8.4306 k =-0.1216 0.1744 0.8741 ( 15484 PWs) bands (ev): -43.4691 -43.4691 -42.3509 -42.3509 -42.3497 -42.3497 -42.0836 -42.0836 -15.4696 -15.4695 -15.4213 -15.4213 -15.3343 -15.3343 -15.2917 -15.2917 -6.3954 -6.3953 -5.8850 -5.8849 -5.5291 -5.5289 -5.3942 -5.3941 -2.5201 -2.5188 -2.1728 -2.1717 -1.7979 -1.7975 -1.5083 -1.5072 -0.7037 -0.7029 -0.2116 -0.2113 0.4316 0.4317 0.5659 0.5660 6.2241 6.2244 6.4565 6.4567 7.7389 7.7395 8.4298 8.4306 k =-0.1295 0.1857 0.8603 ( 15487 PWs) bands (ev): -43.4691 -43.4691 -42.3510 -42.3510 -42.3497 -42.3497 -42.0835 -42.0835 -15.4703 -15.4702 -15.4219 -15.4219 -15.3343 -15.3343 -15.2910 -15.2909 -6.3883 -6.3882 -5.8789 -5.8788 -5.5353 -5.5351 -5.3978 -5.3977 -2.5175 -2.5161 -2.1700 -2.1688 -1.7974 -1.7970 -1.5075 -1.5063 -0.6976 -0.6968 -0.2070 -0.2066 0.4157 0.4159 0.5615 0.5616 6.2021 6.2025 6.4411 6.4413 7.7248 7.7254 8.3921 8.3928 k =-0.1374 0.1970 0.8465 ( 15493 PWs) bands (ev): -43.4691 -43.4691 -42.3511 -42.3511 -42.3497 -42.3497 -42.0834 -42.0834 -15.4713 -15.4713 -15.4225 -15.4225 -15.3343 -15.3343 -15.2900 -15.2900 -6.3805 -6.3803 -5.8720 -5.8720 -5.5421 -5.5420 -5.4019 -5.4019 -2.5147 -2.5131 -2.1668 -2.1654 -1.7975 -1.7970 -1.5062 -1.5049 -0.6905 -0.6896 -0.2019 -0.2015 0.3991 0.3993 0.5557 0.5558 6.1743 6.1746 6.4288 6.4291 7.7098 7.7105 8.3520 8.3527 k =-0.1453 0.2083 0.8327 ( 15489 PWs) bands (ev): -43.4691 -43.4691 -42.3513 -42.3513 -42.3497 -42.3497 -42.0833 -42.0833 -15.4727 -15.4726 -15.4231 -15.4231 -15.3342 -15.3342 -15.2889 -15.2889 -6.3720 -6.3718 -5.8645 -5.8644 -5.5496 -5.5494 -5.4067 -5.4066 -2.5116 -2.5099 -2.1631 -2.1617 -1.7982 -1.7978 -1.5044 -1.5031 -0.6825 -0.6816 -0.1963 -0.1960 0.3818 0.3820 0.5483 0.5484 6.1426 6.1429 6.4181 6.4183 7.6938 7.6944 8.3108 8.3115 k =-0.1531 0.2196 0.8189 ( 15489 PWs) bands (ev): -43.4691 -43.4691 -42.3514 -42.3514 -42.3496 -42.3496 -42.0832 -42.0832 -15.4742 -15.4742 -15.4237 -15.4237 -15.3340 -15.3340 -15.2876 -15.2876 -6.3629 -6.3627 -5.8562 -5.8561 -5.5576 -5.5575 -5.4121 -5.4120 -2.5083 -2.5066 -2.1589 -2.1574 -1.7996 -1.7991 -1.5022 -1.5009 -0.6735 -0.6726 -0.1901 -0.1898 0.3639 0.3641 0.5395 0.5396 6.1086 6.1089 6.4076 6.4079 7.6764 7.6771 8.2696 8.2703 k =-0.1610 0.2309 0.8052 ( 15496 PWs) bands (ev): -43.4691 -43.4691 -42.3515 -42.3515 -42.3496 -42.3496 -42.0831 -42.0831 -15.4759 -15.4759 -15.4245 -15.4245 -15.3338 -15.3338 -15.2861 -15.2861 -6.3532 -6.3531 -5.8473 -5.8472 -5.5662 -5.5661 -5.4180 -5.4179 -2.5049 -2.5031 -2.1543 -2.1527 -1.8017 -1.8012 -1.4995 -1.4983 -0.6637 -0.6627 -0.1834 -0.1831 0.3455 0.3456 0.5294 0.5294 6.0736 6.0738 6.3968 6.3970 7.6575 7.6581 8.2293 8.2299 k =-0.1689 0.2422 0.7914 ( 15496 PWs) bands (ev): -43.4691 -43.4691 -42.3516 -42.3516 -42.3496 -42.3496 -42.0830 -42.0830 -15.4777 -15.4777 -15.4254 -15.4254 -15.3335 -15.3335 -15.2844 -15.2844 -6.3430 -6.3429 -5.8377 -5.8376 -5.5754 -5.5753 -5.4245 -5.4244 -2.5014 -2.4996 -2.1491 -2.1475 -1.8044 -1.8039 -1.4966 -1.4953 -0.6530 -0.6519 -0.1761 -0.1758 0.3265 0.3266 0.5178 0.5179 6.0381 6.0384 6.3853 6.3856 7.6369 7.6374 8.1906 8.1912 k =-0.1768 0.2535 0.7776 ( 15502 PWs) bands (ev): -43.4691 -43.4691 -42.3517 -42.3517 -42.3496 -42.3496 -42.0829 -42.0829 -15.4795 -15.4795 -15.4264 -15.4264 -15.3332 -15.3332 -15.2827 -15.2827 -6.3324 -6.3323 -5.8275 -5.8274 -5.5850 -5.5849 -5.4315 -5.4314 -2.4979 -2.4960 -2.1435 -2.1418 -1.8078 -1.8073 -1.4933 -1.4921 -0.6414 -0.6404 -0.1682 -0.1679 0.3072 0.3073 0.5050 0.5050 6.0028 6.0031 6.3732 6.3735 7.6145 7.6150 8.1542 8.1547 k =-0.1847 0.2648 0.7638 ( 15506 PWs) bands (ev): -43.4691 -43.4691 -42.3519 -42.3519 -42.3496 -42.3496 -42.0828 -42.0828 -15.4813 -15.4813 -15.4275 -15.4275 -15.3329 -15.3329 -15.2809 -15.2809 -6.3214 -6.3212 -5.8168 -5.8166 -5.5951 -5.5950 -5.4390 -5.4389 -2.4943 -2.4923 -2.1374 -2.1357 -1.8119 -1.8114 -1.4899 -1.4886 -0.6291 -0.6280 -0.1596 -0.1593 0.2875 0.2876 0.4910 0.4910 5.9681 5.9684 6.3605 6.3608 7.5903 7.5908 8.1203 8.1208 k =-0.1926 0.2761 0.7500 ( 15497 PWs) bands (ev): -43.4691 -43.4691 -42.3520 -42.3520 -42.3496 -42.3496 -42.0827 -42.0827 -15.4831 -15.4831 -15.4287 -15.4287 -15.3325 -15.3325 -15.2790 -15.2790 -6.3100 -6.3099 -5.8055 -5.8054 -5.6056 -5.6055 -5.4470 -5.4469 -2.4907 -2.4888 -2.1308 -2.1290 -1.8167 -1.8162 -1.4862 -1.4850 -0.6160 -0.6149 -0.1504 -0.1500 0.2677 0.2678 0.4758 0.4758 5.9343 5.9345 6.3475 6.3478 7.5646 7.5650 8.0892 8.0896 k =-0.2004 0.2874 0.7362 ( 15499 PWs) bands (ev): -43.4691 -43.4691 -42.3521 -42.3521 -42.3496 -42.3496 -42.0826 -42.0826 -15.4848 -15.4848 -15.4301 -15.4301 -15.3321 -15.3321 -15.2771 -15.2771 -6.2984 -6.2983 -5.7938 -5.7936 -5.6164 -5.6163 -5.4555 -5.4553 -2.4872 -2.4852 -2.1237 -2.1219 -1.8221 -1.8216 -1.4825 -1.4813 -0.6023 -0.6012 -0.1406 -0.1402 0.2478 0.2479 0.4595 0.4596 5.9015 5.9017 6.3344 6.3347 7.5377 7.5380 8.0609 8.0613 k =-0.2083 0.2987 0.7225 ( 15493 PWs) bands (ev): -43.4691 -43.4691 -42.3522 -42.3522 -42.3496 -42.3496 -42.0824 -42.0824 -15.4864 -15.4864 -15.4316 -15.4316 -15.3316 -15.3316 -15.2752 -15.2752 -6.2867 -6.2865 -5.7816 -5.7815 -5.6273 -5.6272 -5.4644 -5.4643 -2.4838 -2.4819 -2.1161 -2.1144 -1.8281 -1.8277 -1.4787 -1.4775 -0.5879 -0.5868 -0.1303 -0.1298 0.2280 0.2281 0.4423 0.4424 5.8700 5.8702 6.3214 6.3217 7.5099 7.5102 8.0355 8.0359 k =-0.2162 0.3100 0.7087 ( 15483 PWs) bands (ev): -43.4691 -43.4691 -42.3523 -42.3523 -42.3496 -42.3496 -42.0823 -42.0823 -15.4879 -15.4879 -15.4331 -15.4331 -15.3311 -15.3311 -15.2734 -15.2734 -6.2749 -6.2747 -5.7692 -5.7690 -5.6384 -5.6383 -5.4738 -5.4736 -2.4806 -2.4786 -2.1082 -2.1064 -1.8348 -1.8343 -1.4749 -1.4738 -0.5731 -0.5719 -0.1196 -0.1191 0.2086 0.2086 0.4243 0.4244 5.8399 5.8402 6.3088 6.3090 7.4818 7.4820 8.0128 8.0131 k =-0.2241 0.3213 0.6949 ( 15485 PWs) bands (ev): -43.4691 -43.4691 -42.3524 -42.3524 -42.3496 -42.3496 -42.0822 -42.0822 -15.4893 -15.4892 -15.4347 -15.4347 -15.3306 -15.3306 -15.2716 -15.2716 -6.2631 -6.2629 -5.7565 -5.7563 -5.6494 -5.6493 -5.4836 -5.4834 -2.4775 -2.4755 -2.0998 -2.0981 -1.8420 -1.8416 -1.4713 -1.4701 -0.5578 -0.5566 -0.1086 -0.1081 0.1897 0.1898 0.4055 0.4056 5.8115 5.8117 6.2967 6.2970 7.4538 7.4540 7.9926 7.9929 k =-0.2320 0.3326 0.6811 ( 15490 PWs) bands (ev): -43.4691 -43.4691 -42.3525 -42.3525 -42.3495 -42.3495 -42.0821 -42.0821 -15.4905 -15.4905 -15.4363 -15.4363 -15.3301 -15.3301 -15.2700 -15.2699 -6.2515 -6.2513 -5.7437 -5.7436 -5.6601 -5.6600 -5.4938 -5.4936 -2.4746 -2.4727 -2.0910 -2.0893 -1.8497 -1.8493 -1.4677 -1.4666 -0.5421 -0.5410 -0.0977 -0.0971 0.1719 0.1720 0.3861 0.3863 5.7849 5.7851 6.2854 6.2856 7.4264 7.4265 7.9747 7.9750 k =-0.2399 0.3439 0.6673 ( 15499 PWs) bands (ev): -43.4691 -43.4691 -42.3526 -42.3526 -42.3495 -42.3495 -42.0821 -42.0821 -15.4915 -15.4915 -15.4380 -15.4380 -15.3295 -15.3295 -15.2684 -15.2684 -6.2401 -6.2399 -5.7312 -5.7311 -5.6700 -5.6700 -5.5044 -5.5043 -2.4719 -2.4701 -2.0819 -2.0803 -1.8579 -1.8576 -1.4644 -1.4633 -0.5264 -0.5252 -0.0872 -0.0866 0.1556 0.1557 0.3662 0.3664 5.7602 5.7603 6.2749 6.2751 7.4001 7.4002 7.9592 7.9594 k =-0.2477 0.3552 0.6536 ( 15497 PWs) bands (ev): -43.4691 -43.4691 -42.3527 -42.3527 -42.3495 -42.3495 -42.0820 -42.0820 -15.4924 -15.4924 -15.4396 -15.4396 -15.3289 -15.3289 -15.2670 -15.2670 -6.2292 -6.2290 -5.7200 -5.7199 -5.6782 -5.6781 -5.5154 -5.5152 -2.4695 -2.4677 -2.0725 -2.0709 -1.8665 -1.8662 -1.4613 -1.4602 -0.5107 -0.5095 -0.0777 -0.0770 0.1415 0.1416 0.3459 0.3462 5.7375 5.7377 6.2654 6.2656 7.3753 7.3753 7.9457 7.9460 k =-0.2556 0.3665 0.6398 ( 15505 PWs) bands (ev): -43.4691 -43.4691 -42.3528 -42.3528 -42.3495 -42.3495 -42.0819 -42.0819 -15.4931 -15.4931 -15.4413 -15.4413 -15.3282 -15.3282 -15.2658 -15.2658 -6.2189 -6.2187 -5.7130 -5.7129 -5.6814 -5.6813 -5.5267 -5.5266 -2.4674 -2.4657 -2.0630 -2.0614 -1.8754 -1.8751 -1.4585 -1.4574 -0.4953 -0.4941 -0.0697 -0.0689 0.1303 0.1305 0.3254 0.3258 5.7170 5.7171 6.2570 6.2571 7.3524 7.3524 7.9343 7.9345 k =-0.2635 0.3778 0.6260 ( 15504 PWs) bands (ev): -43.4691 -43.4691 -42.3528 -42.3528 -42.3495 -42.3495 -42.0818 -42.0818 -15.4936 -15.4936 -15.4429 -15.4429 -15.3275 -15.3275 -15.2648 -15.2648 -6.2093 -6.2091 -5.7139 -5.7138 -5.6761 -5.6758 -5.5384 -5.5383 -2.4655 -2.4639 -2.0532 -2.0517 -1.8846 -1.8843 -1.4561 -1.4549 -0.4804 -0.4792 -0.0639 -0.0632 0.1230 0.1233 0.3049 0.3053 5.6988 5.6989 6.2497 6.2498 7.3316 7.3317 7.9249 7.9251 k =-0.2714 0.3891 0.6122 ( 15503 PWs) bands (ev): -43.4691 -43.4691 -42.3529 -42.3529 -42.3495 -42.3495 -42.0818 -42.0818 -15.4940 -15.4940 -15.4445 -15.4445 -15.3268 -15.3268 -15.2640 -15.2640 -6.2006 -6.2004 -5.7194 -5.7193 -5.6650 -5.6648 -5.5505 -5.5503 -2.4640 -2.4624 -2.0435 -2.0420 -1.8938 -1.8935 -1.4539 -1.4527 -0.4665 -0.4653 -0.0608 -0.0601 0.1202 0.1206 0.2846 0.2852 5.6830 5.6832 6.2434 6.2435 7.3134 7.3136 7.9174 7.9176 k =-0.2793 0.4004 0.5984 ( 15497 PWs) bands (ev): -43.4691 -43.4691 -42.3529 -42.3529 -42.3495 -42.3495 -42.0817 -42.0817 -15.4941 -15.4941 -15.4461 -15.4460 -15.3261 -15.3260 -15.2633 -15.2633 -6.1931 -6.1929 -5.7258 -5.7258 -5.6521 -5.6518 -5.5628 -5.5626 -2.4627 -2.4613 -2.0340 -2.0325 -1.9030 -1.9027 -1.4521 -1.4509 -0.4540 -0.4527 -0.0603 -0.0597 0.1218 0.1225 0.2647 0.2656 5.6698 5.6699 6.2383 6.2383 7.2980 7.2982 7.9119 7.9120 k =-0.2872 0.4117 0.5847 ( 15499 PWs) bands (ev): -43.4691 -43.4691 -42.3530 -42.3530 -42.3495 -42.3495 -42.0817 -42.0817 -15.4941 -15.4940 -15.4475 -15.4475 -15.3253 -15.3253 -15.2630 -15.2630 -6.1869 -6.1867 -5.7317 -5.7316 -5.6385 -5.6382 -5.5754 -5.5752 -2.4618 -2.4605 -2.0248 -2.0234 -1.9119 -1.9116 -1.4507 -1.4494 -0.4434 -0.4421 -0.0617 -0.0611 0.1273 0.1284 0.2459 0.2471 5.6591 5.6593 6.2342 6.2342 7.2856 7.2858 7.9083 7.9084 k =-0.2950 0.4230 0.5709 ( 15500 PWs) bands (ev): -43.4691 -43.4691 -42.3530 -42.3530 -42.3495 -42.3495 -42.0817 -42.0817 -15.4938 -15.4938 -15.4490 -15.4489 -15.3244 -15.3244 -15.2628 -15.2628 -6.1821 -6.1820 -5.7365 -5.7364 -5.6246 -5.6243 -5.5882 -5.5881 -2.4613 -2.4600 -2.0164 -2.0151 -1.9201 -1.9197 -1.4497 -1.4484 -0.4352 -0.4338 -0.0638 -0.0633 0.1349 0.1365 0.2291 0.2307 5.6513 5.6514 6.2311 6.2311 7.2763 7.2765 7.9066 7.9068 k =-0.3029 0.4343 0.5571 ( 15500 PWs) bands (ev): -43.4691 -43.4691 -42.3530 -42.3530 -42.3495 -42.3495 -42.0816 -42.0816 -15.4933 -15.4933 -15.4503 -15.4503 -15.3236 -15.3236 -15.2629 -15.2629 -6.1790 -6.1788 -5.7399 -5.7398 -5.6107 -5.6104 -5.6012 -5.6011 -2.4610 -2.4598 -2.0095 -2.0083 -1.9270 -1.9265 -1.4491 -1.4477 -0.4299 -0.4285 -0.0654 -0.0649 0.1419 0.1441 0.2164 0.2186 5.6462 5.6464 6.2289 6.2290 7.2704 7.2706 7.9069 7.9071 k =-0.3108 0.4456 0.5433 ( 15502 PWs) bands (ev): -43.4691 -43.4691 -42.3530 -42.3530 -42.3495 -42.3495 -42.0816 -42.0816 -15.4927 -15.4926 -15.4516 -15.4515 -15.3227 -15.3227 -15.2632 -15.2632 -6.1776 -6.1774 -5.7417 -5.7417 -5.6145 -5.6144 -5.5967 -5.5965 -2.4611 -2.4600 -2.0049 -2.0038 -1.9315 -1.9311 -1.4488 -1.4474 -0.4279 -0.4264 -0.0656 -0.0651 0.1439 0.1464 0.2120 0.2145 5.6440 5.6442 6.2276 6.2277 7.2679 7.2682 7.9092 7.9094 k =-0.3108 0.4456 0.5433 ( 15502 PWs) bands (ev): -43.4691 -43.4691 -42.3530 -42.3530 -42.3495 -42.3495 -42.0816 -42.0816 -15.4927 -15.4926 -15.4516 -15.4515 -15.3227 -15.3227 -15.2632 -15.2632 -6.1776 -6.1774 -5.7417 -5.7417 -5.6145 -5.6144 -5.5967 -5.5965 -2.4611 -2.4600 -2.0049 -2.0038 -1.9315 -1.9311 -1.4488 -1.4474 -0.4279 -0.4264 -0.0656 -0.0651 0.1439 0.1464 0.2120 0.2145 5.6440 5.6442 6.2276 6.2277 7.2679 7.2682 7.9092 7.9094 k =-0.3028 0.4342 0.5294 ( 15497 PWs) bands (ev): -43.4691 -43.4691 -42.3529 -42.3529 -42.3496 -42.3496 -42.0817 -42.0817 -15.4899 -15.4898 -15.4536 -15.4536 -15.3228 -15.3227 -15.2634 -15.2634 -6.1693 -6.1691 -5.7396 -5.7395 -5.6240 -5.6238 -5.6029 -5.6027 -2.4605 -2.4593 -2.0083 -2.0072 -1.9410 -1.9405 -1.4415 -1.4401 -0.4158 -0.4143 -0.0591 -0.0585 0.1291 0.1317 0.1985 0.2011 5.6539 5.6541 6.2589 6.2590 7.3173 7.3175 7.9708 7.9710 k =-0.2949 0.4228 0.5155 ( 15497 PWs) bands (ev): -43.4691 -43.4691 -42.3527 -42.3527 -42.3497 -42.3497 -42.0818 -42.0818 -15.4897 -15.4897 -15.4534 -15.4534 -15.3224 -15.3224 -15.2637 -15.2637 -6.1614 -6.1613 -5.7382 -5.7381 -5.6329 -5.6328 -5.6082 -5.6079 -2.4598 -2.4586 -2.0109 -2.0097 -1.9501 -1.9496 -1.4348 -1.4334 -0.4036 -0.4021 -0.0521 -0.0515 0.1151 0.1176 0.1851 0.1878 5.6536 5.6538 6.2985 6.2987 7.3612 7.3614 8.0303 8.0304 k =-0.2869 0.4114 0.5015 ( 15493 PWs) bands (ev): -43.4691 -43.4691 -42.3526 -42.3526 -42.3498 -42.3498 -42.0818 -42.0818 -15.4926 -15.4926 -15.4506 -15.4506 -15.3216 -15.3216 -15.2640 -15.2639 -6.1541 -6.1540 -5.7379 -5.7378 -5.6410 -5.6409 -5.6123 -5.6120 -2.4591 -2.4580 -2.0128 -2.0116 -1.9589 -1.9583 -1.4286 -1.4272 -0.3916 -0.3901 -0.0448 -0.0441 0.1019 0.1045 0.1720 0.1747 5.6438 5.6440 6.3455 6.3457 7.3986 7.3988 8.0871 8.0872 k =-0.2789 0.3999 0.4876 ( 15493 PWs) bands (ev): -43.4691 -43.4691 -42.3525 -42.3525 -42.3499 -42.3499 -42.0819 -42.0819 -15.4977 -15.4977 -15.4459 -15.4459 -15.3204 -15.3204 -15.2642 -15.2642 -6.1474 -6.1473 -5.7389 -5.7387 -5.6480 -5.6479 -5.6152 -5.6149 -2.4585 -2.4574 -2.0140 -2.0127 -1.9672 -1.9666 -1.4230 -1.4217 -0.3797 -0.3782 -0.0373 -0.0366 0.0900 0.0925 0.1593 0.1620 5.6255 5.6257 6.3986 6.3989 7.4286 7.4288 8.1407 8.1409 k =-0.2710 0.3885 0.4737 ( 15493 PWs) bands (ev): -43.4691 -43.4691 -42.3524 -42.3524 -42.3499 -42.3499 -42.0819 -42.0819 -15.5043 -15.5042 -15.4400 -15.4400 -15.3190 -15.3189 -15.2645 -15.2645 -6.1415 -6.1413 -5.7415 -5.7413 -5.6536 -5.6534 -5.6168 -5.6166 -2.4579 -2.4569 -2.0144 -2.0131 -1.9750 -1.9744 -1.4181 -1.4168 -0.3682 -0.3667 -0.0300 -0.0292 0.0793 0.0818 0.1473 0.1501 5.6000 5.6003 6.4564 6.4568 7.4504 7.4507 8.1907 8.1908 k =-0.2630 0.3771 0.4597 ( 15497 PWs) bands (ev): -43.4691 -43.4691 -42.3523 -42.3523 -42.3500 -42.3500 -42.0819 -42.0819 -15.5117 -15.5117 -15.4335 -15.4335 -15.3172 -15.3172 -15.2649 -15.2648 -6.1363 -6.1362 -5.7457 -5.7455 -5.6575 -5.6573 -5.6173 -5.6170 -2.4574 -2.4564 -2.0142 -2.0129 -1.9823 -1.9816 -1.4137 -1.4125 -0.3573 -0.3557 -0.0232 -0.0223 0.0703 0.0726 0.1365 0.1392 5.5685 5.5687 6.5178 6.5182 7.4634 7.4637 8.2364 8.2365 k =-0.2550 0.3657 0.4458 ( 15493 PWs) bands (ev): -43.4691 -43.4691 -42.3522 -42.3522 -42.3500 -42.3500 -42.0819 -42.0819 -15.5198 -15.5197 -15.4266 -15.4266 -15.3153 -15.3153 -15.2652 -15.2652 -6.1319 -6.1318 -5.7516 -5.7513 -5.6597 -5.6595 -5.6165 -5.6163 -2.4570 -2.4561 -2.0134 -2.0121 -1.9889 -1.9882 -1.4100 -1.4088 -0.3471 -0.3455 -0.0173 -0.0163 0.0629 0.0650 0.1273 0.1299 5.5317 5.5319 6.5815 6.5820 7.4674 7.4677 8.2772 8.2773 k =-0.2470 0.3542 0.4319 ( 15479 PWs) bands (ev): -43.4691 -43.4691 -42.3522 -42.3522 -42.3500 -42.3500 -42.0819 -42.0819 -15.5282 -15.5281 -15.4195 -15.4195 -15.3132 -15.3132 -15.2655 -15.2655 -6.1284 -6.1284 -5.7588 -5.7585 -5.6602 -5.6600 -5.6147 -5.6145 -2.4568 -2.4558 -2.0120 -2.0107 -1.9947 -1.9940 -1.4068 -1.4056 -0.3380 -0.3364 -0.0126 -0.0115 0.0570 0.0589 0.1207 0.1231 5.4905 5.4907 6.6466 6.6472 7.4623 7.4626 8.3123 8.3124 k =-0.2391 0.3428 0.4179 ( 15487 PWs) bands (ev): -43.4691 -43.4691 -42.3522 -42.3522 -42.3500 -42.3500 -42.0819 -42.0819 -15.5369 -15.5368 -15.4123 -15.4123 -15.3109 -15.3109 -15.2659 -15.2659 -6.1258 -6.1258 -5.7672 -5.7668 -5.6592 -5.6590 -5.6119 -5.6117 -2.4566 -2.4558 -2.0101 -2.0090 -1.9996 -1.9990 -1.4043 -1.4032 -0.3302 -0.3286 -0.0096 -0.0084 0.0522 0.0538 0.1177 0.1198 5.4455 5.4458 6.7121 6.7128 7.4485 7.4488 8.3409 8.3410 k =-0.2311 0.3314 0.4040 ( 15483 PWs) bands (ev): -43.4691 -43.4691 -42.3523 -42.3523 -42.3500 -42.3500 -42.0819 -42.0819 -15.5457 -15.5457 -15.4050 -15.4050 -15.3085 -15.3085 -15.2663 -15.2663 -6.1241 -6.1241 -5.7763 -5.7760 -5.6569 -5.6567 -5.6083 -5.6081 -2.4567 -2.4559 -2.0083 -2.0080 -2.0027 -2.0022 -1.4024 -1.4012 -0.3241 -0.3223 -0.0083 -0.0070 0.0484 0.0497 0.1188 0.1205 5.3973 5.3975 6.7770 6.7778 7.4268 7.4273 8.3622 8.3623 k =-0.2231 0.3199 0.3901 ( 15481 PWs) bands (ev): -43.4691 -43.4691 -42.3523 -42.3523 -42.3500 -42.3500 -42.0819 -42.0819 -15.5547 -15.5547 -15.3977 -15.3977 -15.3061 -15.3061 -15.2666 -15.2666 -6.1233 -6.1232 -5.7859 -5.7856 -5.6535 -5.6533 -5.6040 -5.6038 -2.4570 -2.4562 -2.0097 -2.0087 -2.0026 -2.0010 -1.4010 -1.3999 -0.3197 -0.3179 -0.0094 -0.0079 0.0462 0.0473 0.1238 0.1251 5.3464 5.3466 6.8399 6.8407 7.3989 7.3994 8.3756 8.3757 k =-0.2152 0.3085 0.3761 ( 15499 PWs) bands (ev): -43.4691 -43.4691 -42.3524 -42.3524 -42.3499 -42.3499 -42.0818 -42.0818 -15.5637 -15.5637 -15.3905 -15.3905 -15.3036 -15.3035 -15.2670 -15.2670 -6.1233 -6.1232 -5.7959 -5.7955 -5.6490 -5.6489 -5.5991 -5.5989 -2.4575 -2.4567 -2.0119 -2.0107 -1.9995 -1.9978 -1.4002 -1.3992 -0.3173 -0.3154 -0.0131 -0.0115 0.0469 0.0479 0.1322 0.1332 5.2931 5.2933 6.8986 6.8996 7.3672 7.3678 8.3806 8.3807 k =-0.2072 0.2971 0.3622 ( 15503 PWs) bands (ev): -43.4691 -43.4691 -42.3526 -42.3526 -42.3498 -42.3498 -42.0818 -42.0818 -15.5727 -15.5727 -15.3833 -15.3833 -15.3010 -15.3010 -15.2674 -15.2674 -6.1241 -6.1239 -5.8060 -5.8056 -5.6436 -5.6435 -5.5939 -5.5937 -2.4582 -2.4575 -2.0134 -2.0122 -1.9956 -1.9938 -1.4000 -1.3990 -0.3169 -0.3149 -0.0197 -0.0178 0.0514 0.0523 0.1431 0.1439 5.2378 5.2381 6.9496 6.9506 7.3359 7.3365 8.3771 8.3772 k =-0.1992 0.2857 0.3483 ( 15505 PWs) bands (ev): -43.4691 -43.4691 -42.3527 -42.3527 -42.3498 -42.3498 -42.0817 -42.0817 -15.5816 -15.5816 -15.3762 -15.3762 -15.2984 -15.2984 -15.2677 -15.2677 -6.1255 -6.1254 -5.8161 -5.8157 -5.6374 -5.6374 -5.5882 -5.5880 -2.4592 -2.4585 -2.0141 -2.0129 -1.9911 -1.9894 -1.4003 -1.3994 -0.3184 -0.3164 -0.0283 -0.0264 0.0595 0.0604 0.1559 0.1565 5.1810 5.1812 6.9860 6.9872 7.3123 7.3130 8.3655 8.3656 k =-0.1913 0.2742 0.3343 ( 15489 PWs) bands (ev): -43.4691 -43.4691 -42.3528 -42.3528 -42.3497 -42.3497 -42.0816 -42.0816 -15.5905 -15.5905 -15.3692 -15.3692 -15.2958 -15.2958 -15.2681 -15.2681 -6.1276 -6.1274 -5.8261 -5.8257 -5.6306 -5.6305 -5.5823 -5.5822 -2.4605 -2.4599 -2.0139 -2.0126 -1.9863 -1.9845 -1.4011 -1.4003 -0.3217 -0.3196 -0.0384 -0.0365 0.0710 0.0717 0.1700 0.1705 5.1230 5.1232 6.9987 6.9997 7.3065 7.3071 8.3465 8.3466 k =-0.1833 0.2628 0.3204 ( 15493 PWs) bands (ev): -43.4691 -43.4691 -42.3530 -42.3530 -42.3496 -42.3496 -42.0816 -42.0816 -15.5992 -15.5992 -15.3624 -15.3624 -15.2933 -15.2932 -15.2684 -15.2684 -6.1302 -6.1300 -5.8359 -5.8356 -5.6231 -5.6231 -5.5763 -5.5761 -2.4621 -2.4615 -2.0127 -2.0113 -1.9811 -1.9793 -1.4025 -1.4017 -0.3266 -0.3244 -0.0493 -0.0474 0.0851 0.0858 0.1851 0.1855 5.0640 5.0642 6.9826 6.9835 7.3238 7.3242 8.3211 8.3212 k =-0.1753 0.2514 0.3065 ( 15473 PWs) bands (ev): -43.4691 -43.4691 -42.3532 -42.3532 -42.3495 -42.3495 -42.0815 -42.0815 -15.6078 -15.6078 -15.3558 -15.3557 -15.2907 -15.2907 -15.2687 -15.2687 -6.1332 -6.1330 -5.8456 -5.8453 -5.6152 -5.6151 -5.5701 -5.5699 -2.4640 -2.4633 -2.0105 -2.0091 -1.9756 -1.9738 -1.4044 -1.4036 -0.3327 -0.3305 -0.0607 -0.0587 0.1015 0.1020 0.2010 0.2013 5.0045 5.0046 6.9438 6.9444 7.3586 7.3588 8.2907 8.2908 k =-0.1674 0.2400 0.2926 ( 15461 PWs) bands (ev): -43.4691 -43.4691 -42.3533 -42.3533 -42.3494 -42.3494 -42.0814 -42.0814 -15.6162 -15.6161 -15.3493 -15.3493 -15.2882 -15.2882 -15.2690 -15.2690 -6.1366 -6.1364 -5.8550 -5.8547 -5.6068 -5.6068 -5.5638 -5.5637 -2.4661 -2.4655 -2.0074 -2.0060 -1.9699 -1.9681 -1.4067 -1.4060 -0.3399 -0.3377 -0.0722 -0.0702 0.1197 0.1201 0.2173 0.2176 4.9446 4.9448 6.8913 6.8918 7.4021 7.4023 8.2562 8.2563 k =-0.1594 0.2285 0.2786 ( 15475 PWs) bands (ev): -43.4691 -43.4691 -42.3535 -42.3535 -42.3494 -42.3494 -42.0813 -42.0813 -15.6243 -15.6243 -15.3431 -15.3431 -15.2858 -15.2858 -15.2692 -15.2692 -6.1402 -6.1400 -5.8641 -5.8638 -5.5983 -5.5982 -5.5576 -5.5574 -2.4684 -2.4679 -2.0034 -2.0019 -1.9639 -1.9622 -1.4095 -1.4088 -0.3479 -0.3457 -0.0837 -0.0818 0.1393 0.1397 0.2341 0.2343 4.8848 4.8850 6.8314 6.8317 7.4484 7.4487 8.2189 8.2190 k =-0.1514 0.2171 0.2647 ( 15475 PWs) bands (ev): -43.4691 -43.4691 -42.3537 -42.3537 -42.3493 -42.3493 -42.0812 -42.0812 -15.6323 -15.6322 -15.3371 -15.3371 -15.2834 -15.2834 -15.2693 -15.2693 -6.1441 -6.1439 -5.8729 -5.8726 -5.5895 -5.5894 -5.5513 -5.5512 -2.4710 -2.4705 -1.9985 -1.9970 -1.9579 -1.9561 -1.4127 -1.4120 -0.3565 -0.3543 -0.0950 -0.0932 0.1601 0.1605 0.2510 0.2512 4.8254 4.8255 6.7674 6.7677 7.4941 7.4946 8.1797 8.1797 k =-0.1434 0.2057 0.2508 ( 15465 PWs) bands (ev): -43.4691 -43.4691 -42.3539 -42.3539 -42.3492 -42.3492 -42.0811 -42.0811 -15.6399 -15.6399 -15.3315 -15.3314 -15.2811 -15.2811 -15.2694 -15.2694 -6.1481 -6.1479 -5.8813 -5.8810 -5.5806 -5.5806 -5.5452 -5.5451 -2.4738 -2.4732 -1.9928 -1.9913 -1.9517 -1.9500 -1.4164 -1.4157 -0.3654 -0.3634 -0.1062 -0.1044 0.1818 0.1821 0.2680 0.2682 4.7665 4.7666 6.7017 6.7019 7.5373 7.5378 8.1393 8.1394 k =-0.1355 0.1943 0.2368 ( 15469 PWs) bands (ev): -43.4691 -43.4691 -42.3540 -42.3540 -42.3491 -42.3491 -42.0810 -42.0810 -15.6473 -15.6473 -15.3261 -15.3261 -15.2789 -15.2789 -15.2694 -15.2694 -6.1521 -6.1519 -5.8894 -5.8891 -5.5718 -5.5717 -5.5392 -5.5391 -2.4767 -2.4762 -1.9864 -1.9849 -1.9454 -1.9438 -1.4204 -1.4197 -0.3747 -0.3726 -0.1170 -0.1153 0.2040 0.2042 0.2850 0.2851 4.7086 4.7087 6.6354 6.6356 7.5766 7.5772 8.0986 8.0987 k =-0.1275 0.1828 0.2229 ( 15455 PWs) bands (ev): -43.4691 -43.4691 -42.3542 -42.3542 -42.3491 -42.3491 -42.0809 -42.0809 -15.6543 -15.6543 -15.3211 -15.3211 -15.2768 -15.2768 -15.2692 -15.2692 -6.1562 -6.1560 -5.8970 -5.8967 -5.5630 -5.5630 -5.5333 -5.5332 -2.4797 -2.4792 -1.9793 -1.9779 -1.9392 -1.9376 -1.4247 -1.4241 -0.3840 -0.3820 -0.1275 -0.1258 0.2265 0.2268 0.3018 0.3019 4.6519 4.6520 6.5697 6.5698 7.6111 7.6117 8.0582 8.0582 k =-0.1195 0.1714 0.2090 ( 15455 PWs) bands (ev): -43.4691 -43.4691 -42.3544 -42.3544 -42.3490 -42.3490 -42.0807 -42.0807 -15.6611 -15.6610 -15.3164 -15.3164 -15.2749 -15.2749 -15.2689 -15.2689 -6.1602 -6.1600 -5.9042 -5.9040 -5.5544 -5.5543 -5.5277 -5.5275 -2.4828 -2.4823 -1.9717 -1.9703 -1.9330 -1.9314 -1.4294 -1.4288 -0.3933 -0.3914 -0.1376 -0.1360 0.2492 0.2494 0.3183 0.3184 4.5967 4.5968 6.5052 6.5054 7.6404 7.6410 8.0184 8.0184 k =-0.1116 0.1600 0.1950 ( 15465 PWs) bands (ev): -43.4691 -43.4691 -42.3545 -42.3545 -42.3489 -42.3489 -42.0806 -42.0806 -15.6674 -15.6674 -15.3122 -15.3122 -15.2731 -15.2731 -15.2684 -15.2684 -6.1642 -6.1640 -5.9110 -5.9108 -5.5461 -5.5460 -5.5222 -5.5221 -2.4859 -2.4855 -1.9637 -1.9623 -1.9269 -1.9254 -1.4343 -1.4337 -0.4024 -0.4006 -0.1472 -0.1457 0.2717 0.2719 0.3344 0.3345 4.5434 4.5434 6.4426 6.4428 7.6641 7.6647 7.9797 7.9798 k =-0.1036 0.1485 0.1811 ( 15461 PWs) bands (ev): -43.4691 -43.4691 -42.3547 -42.3547 -42.3489 -42.3489 -42.0805 -42.0805 -15.6735 -15.6734 -15.3084 -15.3083 -15.2714 -15.2714 -15.2677 -15.2677 -6.1680 -6.1678 -5.9174 -5.9172 -5.5380 -5.5379 -5.5170 -5.5169 -2.4890 -2.4886 -1.9553 -1.9540 -1.9209 -1.9194 -1.4395 -1.4389 -0.4113 -0.4096 -0.1563 -0.1549 0.2939 0.2940 0.3500 0.3501 4.4921 4.4921 6.3825 6.3826 7.6823 7.6829 7.9425 7.9426 k =-0.0956 0.1371 0.1672 ( 15475 PWs) bands (ev): -43.4691 -43.4691 -42.3548 -42.3548 -42.3488 -42.3488 -42.0804 -42.0804 -15.6791 -15.6791 -15.3050 -15.3050 -15.2699 -15.2699 -15.2668 -15.2668 -6.1716 -6.1714 -5.9233 -5.9231 -5.5303 -5.5302 -5.5121 -5.5120 -2.4921 -2.4917 -1.9467 -1.9454 -1.9151 -1.9137 -1.4447 -1.4442 -0.4199 -0.4183 -0.1649 -0.1636 0.3154 0.3156 0.3651 0.3651 4.4432 4.4432 6.3252 6.3253 7.6954 7.6960 7.9072 7.9072 k =-0.0877 0.1257 0.1532 ( 15483 PWs) bands (ev): -43.4691 -43.4691 -42.3550 -42.3550 -42.3488 -42.3488 -42.0803 -42.0803 -15.6843 -15.6843 -15.3021 -15.3021 -15.2685 -15.2685 -15.2657 -15.2657 -6.1751 -6.1749 -5.9288 -5.9286 -5.5230 -5.5229 -5.5074 -5.5073 -2.4951 -2.4947 -1.9380 -1.9368 -1.9096 -1.9082 -1.4501 -1.4496 -0.4281 -0.4266 -0.1729 -0.1717 0.3363 0.3364 0.3794 0.3794 4.3969 4.3969 6.2711 6.2712 7.7039 7.7044 7.8738 7.8739 k =-0.0797 0.1143 0.1393 ( 15475 PWs) bands (ev): -43.4691 -43.4691 -42.3551 -42.3551 -42.3488 -42.3488 -42.0802 -42.0802 -15.6891 -15.6891 -15.2997 -15.2996 -15.2672 -15.2672 -15.2646 -15.2645 -6.1783 -6.1781 -5.9338 -5.9336 -5.5162 -5.5161 -5.5031 -5.5030 -2.4979 -2.4975 -1.9294 -1.9282 -1.9043 -1.9031 -1.4555 -1.4550 -0.4358 -0.4344 -0.1803 -0.1792 0.3561 0.3562 0.3928 0.3929 4.3536 4.3536 6.2207 6.2208 7.7085 7.7089 7.8428 7.8428 k =-0.0717 0.1028 0.1254 ( 15465 PWs) bands (ev): -43.4691 -43.4691 -42.3552 -42.3552 -42.3487 -42.3487 -42.0801 -42.0801 -15.6935 -15.6935 -15.2976 -15.2976 -15.2659 -15.2659 -15.2634 -15.2634 -6.1813 -6.1811 -5.9383 -5.9381 -5.5098 -5.5098 -5.4992 -5.4991 -2.5006 -2.5002 -1.9209 -1.9198 -1.8993 -1.8982 -1.4609 -1.4604 -0.4430 -0.4417 -0.1871 -0.1861 0.3748 0.3749 0.4054 0.4054 4.3134 4.3135 6.1742 6.1743 7.7099 7.7103 7.8142 7.8142 k =-0.0638 0.0914 0.1114 ( 15453 PWs) bands (ev): -43.4691 -43.4691 -42.3554 -42.3554 -42.3487 -42.3487 -42.0800 -42.0800 -15.6975 -15.6975 -15.2960 -15.2960 -15.2645 -15.2645 -15.2623 -15.2623 -6.1840 -6.1839 -5.9424 -5.9422 -5.5041 -5.5040 -5.4956 -5.4955 -2.5030 -2.5027 -1.9128 -1.9117 -1.8948 -1.8937 -1.4661 -1.4656 -0.4495 -0.4484 -0.1932 -0.1923 0.3921 0.3922 0.4169 0.4170 4.2768 4.2768 6.1318 6.1319 7.7090 7.7094 7.7882 7.7882 k =-0.0558 0.0800 0.0975 ( 15441 PWs) bands (ev): -43.4691 -43.4691 -42.3555 -42.3555 -42.3486 -42.3486 -42.0800 -42.0800 -15.7010 -15.7010 -15.2947 -15.2947 -15.2632 -15.2632 -15.2613 -15.2613 -6.1864 -6.1863 -5.9460 -5.9458 -5.4989 -5.4989 -5.4923 -5.4923 -2.5053 -2.5050 -1.9051 -1.9042 -1.8906 -1.8897 -1.4710 -1.4705 -0.4554 -0.4544 -0.1987 -0.1979 0.4078 0.4079 0.4273 0.4274 4.2437 4.2438 6.0939 6.0940 7.7065 7.7068 7.7650 7.7650 k =-0.0478 0.0686 0.0836 ( 15443 PWs) bands (ev): -43.4691 -43.4691 -42.3556 -42.3556 -42.3486 -42.3486 -42.0799 -42.0799 -15.7041 -15.7041 -15.2937 -15.2937 -15.2620 -15.2620 -15.2604 -15.2604 -6.1886 -6.1885 -5.9491 -5.9489 -5.4944 -5.4943 -5.4895 -5.4894 -2.5073 -2.5070 -1.8980 -1.8972 -1.8869 -1.8861 -1.4756 -1.4752 -0.4606 -0.4598 -0.2034 -0.2027 0.4218 0.4219 0.4366 0.4366 4.2146 4.2147 6.0606 6.0607 7.7030 7.7032 7.7446 7.7447 k =-0.0398 0.0571 0.0697 ( 15441 PWs) bands (ev): -43.4691 -43.4691 -42.3556 -42.3556 -42.3486 -42.3486 -42.0798 -42.0798 -15.7067 -15.7067 -15.2930 -15.2930 -15.2608 -15.2608 -15.2597 -15.2596 -6.1904 -6.1903 -5.9517 -5.9516 -5.4905 -5.4904 -5.4871 -5.4870 -2.5090 -2.5088 -1.8917 -1.8911 -1.8837 -1.8830 -1.4797 -1.4793 -0.4651 -0.4644 -0.2075 -0.2069 0.4340 0.4340 0.4446 0.4446 4.1896 4.1897 6.0321 6.0322 7.6991 7.6993 7.7272 7.7273 k =-0.0319 0.0457 0.0557 ( 15461 PWs) bands (ev): -43.4691 -43.4691 -42.3557 -42.3557 -42.3486 -42.3486 -42.0798 -42.0798 -15.7088 -15.7088 -15.2924 -15.2924 -15.2598 -15.2598 -15.2590 -15.2590 -6.1919 -6.1918 -5.9538 -5.9538 -5.4873 -5.4872 -5.4851 -5.4851 -2.5104 -2.5103 -1.8863 -1.8858 -1.8810 -1.8804 -1.4832 -1.4829 -0.4688 -0.4682 -0.2108 -0.2103 0.4440 0.4441 0.4512 0.4513 4.1689 4.1690 6.0086 6.0087 7.6953 7.6955 7.7129 7.7130 k =-0.0239 0.0343 0.0418 ( 15469 PWs) bands (ev): -43.4691 -43.4691 -42.3557 -42.3557 -42.3486 -42.3486 -42.0798 -42.0798 -15.7105 -15.7105 -15.2920 -15.2920 -15.2590 -15.2590 -15.2585 -15.2585 -6.1931 -6.1930 -5.9555 -5.9555 -5.4848 -5.4847 -5.4835 -5.4835 -2.5115 -2.5114 -1.8820 -1.8816 -1.8788 -1.8784 -1.4861 -1.4859 -0.4717 -0.4712 -0.2134 -0.2130 0.4518 0.4519 0.4566 0.4567 4.1527 4.1527 5.9902 5.9902 7.6920 7.6921 7.7017 7.7018 k =-0.0159 0.0229 0.0279 ( 15469 PWs) bands (ev): -43.4691 -43.4691 -42.3558 -42.3558 -42.3486 -42.3486 -42.0797 -42.0797 -15.7117 -15.7117 -15.2918 -15.2918 -15.2584 -15.2584 -15.2581 -15.2581 -6.1939 -6.1939 -5.9567 -5.9567 -5.4830 -5.4830 -5.4824 -5.4823 -2.5123 -2.5123 -1.8789 -1.8787 -1.8772 -1.8768 -1.4882 -1.4880 -0.4738 -0.4735 -0.2152 -0.2149 0.4573 0.4573 0.4607 0.4607 4.1410 4.1410 5.9770 5.9770 7.6894 7.6895 7.6937 7.6937 k =-0.0080 0.0114 0.0139 ( 15469 PWs) bands (ev): -43.4691 -43.4691 -42.3558 -42.3558 -42.3486 -42.3486 -42.0797 -42.0797 -15.7124 -15.7124 -15.2916 -15.2916 -15.2581 -15.2581 -15.2579 -15.2579 -6.1944 -6.1944 -5.9574 -5.9574 -5.4820 -5.4820 -5.4816 -5.4816 -2.5128 -2.5128 -1.8771 -1.8771 -1.8759 -1.8757 -1.4895 -1.4894 -0.4750 -0.4748 -0.2163 -0.2161 0.4604 0.4604 0.4634 0.4634 4.1339 4.1339 5.9690 5.9690 7.6878 7.6878 7.6889 7.6889 k = 0.0000 0.0000 0.0000 ( 15467 PWs) bands (ev): -43.4691 -43.4691 -42.3558 -42.3558 -42.3486 -42.3486 -42.0797 -42.0797 -15.7127 -15.7127 -15.2916 -15.2916 -15.2580 -15.2580 -15.2578 -15.2578 -6.1946 -6.1946 -5.9576 -5.9576 -5.4817 -5.4817 -5.4813 -5.4813 -2.5130 -2.5130 -1.8766 -1.8766 -1.8754 -1.8754 -1.4899 -1.4899 -0.4753 -0.4753 -0.2166 -0.2166 0.4614 0.4614 0.4644 0.4644 4.1315 4.1315 5.9664 5.9664 7.6872 7.6872 7.6873 7.6873 k = 0.0000 0.0000 0.0000 ( 15467 PWs) bands (ev): -43.4691 -43.4691 -42.3558 -42.3558 -42.3486 -42.3486 -42.0797 -42.0797 -15.7127 -15.7127 -15.2916 -15.2916 -15.2580 -15.2580 -15.2578 -15.2578 -6.1946 -6.1946 -5.9576 -5.9576 -5.4817 -5.4817 -5.4813 -5.4813 -2.5130 -2.5130 -1.8766 -1.8766 -1.8754 -1.8754 -1.4899 -1.4899 -0.4753 -0.4753 -0.2166 -0.2166 0.4614 0.4614 0.4644 0.4644 4.1315 4.1315 5.9664 5.9664 7.6872 7.6872 7.6873 7.6873 k = 0.0161 0.0112-0.0000 ( 15467 PWs) bands (ev): -43.4691 -43.4691 -42.3558 -42.3558 -42.3486 -42.3486 -42.0797 -42.0797 -15.7124 -15.7124 -15.2918 -15.2918 -15.2580 -15.2580 -15.2578 -15.2578 -6.1951 -6.1951 -5.9570 -5.9570 -5.4816 -5.4816 -5.4812 -5.4812 -2.5129 -2.5129 -1.8763 -1.8763 -1.8751 -1.8751 -1.4905 -1.4905 -0.4756 -0.4756 -0.2163 -0.2163 0.4612 0.4612 0.4643 0.4643 4.1333 4.1333 5.9682 5.9682 7.6810 7.6810 7.6811 7.6811 k = 0.0323 0.0225-0.0000 ( 15471 PWs) bands (ev): -43.4691 -43.4691 -42.3558 -42.3558 -42.3486 -42.3486 -42.0797 -42.0797 -15.7118 -15.7118 -15.2926 -15.2926 -15.2580 -15.2580 -15.2579 -15.2579 -6.1968 -6.1968 -5.9551 -5.9551 -5.4814 -5.4814 -5.4810 -5.4810 -2.5126 -2.5126 -1.8755 -1.8755 -1.8743 -1.8743 -1.4924 -1.4924 -0.4765 -0.4765 -0.2155 -0.2155 0.4609 0.4609 0.4639 0.4639 4.1386 4.1386 5.9737 5.9737 7.6626 7.6626 7.6626 7.6626 k = 0.0484 0.0337-0.0000 ( 15475 PWs) bands (ev): -43.4691 -43.4691 -42.3558 -42.3558 -42.3486 -42.3486 -42.0797 -42.0797 -15.7107 -15.7107 -15.2938 -15.2938 -15.2581 -15.2581 -15.2579 -15.2579 -6.1995 -6.1995 -5.9520 -5.9520 -5.4810 -5.4810 -5.4806 -5.4806 -2.5121 -2.5121 -1.8741 -1.8741 -1.8729 -1.8729 -1.4955 -1.4955 -0.4780 -0.4780 -0.2143 -0.2143 0.4603 0.4603 0.4633 0.4633 4.1473 4.1473 5.9829 5.9829 7.6327 7.6327 7.6328 7.6328 k = 0.0645 0.0450-0.0000 ( 15499 PWs) bands (ev): -43.4691 -43.4691 -42.3558 -42.3558 -42.3486 -42.3486 -42.0797 -42.0797 -15.7091 -15.7091 -15.2955 -15.2955 -15.2581 -15.2581 -15.2580 -15.2580 -6.2031 -6.2031 -5.9479 -5.9479 -5.4804 -5.4804 -5.4800 -5.4800 -2.5113 -2.5113 -1.8722 -1.8722 -1.8709 -1.8709 -1.4998 -1.4998 -0.4800 -0.4800 -0.2124 -0.2124 0.4595 0.4595 0.4625 0.4625 4.1594 4.1594 5.9956 5.9956 7.5925 7.5925 7.5926 7.5926 k = 0.0806 0.0562-0.0000 ( 15491 PWs) bands (ev): -43.4691 -43.4691 -42.3558 -42.3558 -42.3486 -42.3486 -42.0797 -42.0797 -15.7071 -15.7071 -15.2977 -15.2977 -15.2582 -15.2582 -15.2581 -15.2581 -6.2076 -6.2076 -5.9428 -5.9428 -5.4797 -5.4797 -5.4793 -5.4793 -2.5104 -2.5104 -1.8697 -1.8697 -1.8685 -1.8685 -1.5053 -1.5053 -0.4827 -0.4827 -0.2101 -0.2101 0.4585 0.4585 0.4615 0.4615 4.1749 4.1749 6.0119 6.0119 7.5433 7.5433 7.5434 7.5434 k = 0.0968 0.0675-0.0000 ( 15491 PWs) bands (ev): -43.4691 -43.4691 -42.3558 -42.3558 -42.3485 -42.3485 -42.0797 -42.0797 -15.7046 -15.7046 -15.3004 -15.3004 -15.2583 -15.2583 -15.2582 -15.2582 -6.2127 -6.2127 -5.9369 -5.9369 -5.4789 -5.4789 -5.4785 -5.4785 -2.5093 -2.5093 -1.8667 -1.8667 -1.8655 -1.8655 -1.5119 -1.5119 -0.4859 -0.4859 -0.2072 -0.2072 0.4573 0.4573 0.4602 0.4602 4.1934 4.1934 6.0315 6.0315 7.4867 7.4867 7.4868 7.4868 k = 0.1129 0.0787-0.0000 ( 15499 PWs) bands (ev): -43.4691 -43.4691 -42.3558 -42.3558 -42.3485 -42.3485 -42.0797 -42.0797 -15.7018 -15.7018 -15.3036 -15.3036 -15.2585 -15.2585 -15.2583 -15.2583 -6.2184 -6.2184 -5.9303 -5.9303 -5.4779 -5.4779 -5.4775 -5.4775 -2.5081 -2.5081 -1.8633 -1.8633 -1.8621 -1.8621 -1.5194 -1.5194 -0.4897 -0.4897 -0.2037 -0.2037 0.4559 0.4559 0.4588 0.4588 4.2150 4.2150 6.0544 6.0544 7.4240 7.4240 7.4241 7.4241 k = 0.1290 0.0900-0.0000 ( 15491 PWs) bands (ev): -43.4691 -43.4691 -42.3558 -42.3558 -42.3485 -42.3485 -42.0797 -42.0797 -15.6985 -15.6985 -15.3071 -15.3071 -15.2586 -15.2586 -15.2584 -15.2584 -6.2245 -6.2245 -5.9232 -5.9232 -5.4768 -5.4768 -5.4764 -5.4764 -2.5067 -2.5067 -1.8594 -1.8594 -1.8582 -1.8582 -1.5278 -1.5278 -0.4941 -0.4941 -0.1998 -0.1998 0.4543 0.4543 0.4571 0.4571 4.2394 4.2394 6.0805 6.0805 7.3568 7.3568 7.3569 7.3569 k = 0.1452 0.1012-0.0000 ( 15535 PWs) bands (ev): -43.4691 -43.4691 -42.3559 -42.3559 -42.3485 -42.3485 -42.0797 -42.0797 -15.6948 -15.6948 -15.3112 -15.3112 -15.2587 -15.2587 -15.2586 -15.2586 -6.2309 -6.2309 -5.9156 -5.9156 -5.4756 -5.4756 -5.4752 -5.4752 -2.5051 -2.5051 -1.8551 -1.8551 -1.8540 -1.8540 -1.5371 -1.5371 -0.4990 -0.4990 -0.1953 -0.1953 0.4526 0.4526 0.4553 0.4553 4.2663 4.2663 6.1095 6.1095 7.2862 7.2862 7.2863 7.2863 k = 0.1613 0.1125-0.0000 ( 15527 PWs) bands (ev): -43.4691 -43.4691 -42.3559 -42.3559 -42.3485 -42.3485 -42.0797 -42.0797 -15.6907 -15.6907 -15.3156 -15.3156 -15.2589 -15.2589 -15.2587 -15.2587 -6.2374 -6.2374 -5.9078 -5.9078 -5.4743 -5.4743 -5.4739 -5.4739 -2.5033 -2.5033 -1.8505 -1.8505 -1.8493 -1.8493 -1.5471 -1.5471 -0.5044 -0.5044 -0.1904 -0.1904 0.4507 0.4507 0.4534 0.4534 4.2956 4.2956 6.1412 6.1412 7.2135 7.2135 7.2136 7.2136 k = 0.1774 0.1237-0.0000 ( 15527 PWs) bands (ev): -43.4691 -43.4691 -42.3559 -42.3559 -42.3485 -42.3485 -42.0797 -42.0797 -15.6863 -15.6863 -15.3205 -15.3205 -15.2591 -15.2591 -15.2589 -15.2589 -6.2441 -6.2441 -5.8998 -5.8998 -5.4729 -5.4729 -5.4725 -5.4725 -2.5015 -2.5015 -1.8455 -1.8455 -1.8444 -1.8444 -1.5576 -1.5576 -0.5103 -0.5103 -0.1850 -0.1850 0.4487 0.4487 0.4513 0.4513 4.3271 4.3271 6.1754 6.1754 7.1396 7.1396 7.1397 7.1397 k = 0.1935 0.1350-0.0000 ( 15531 PWs) bands (ev): -43.4691 -43.4691 -42.3559 -42.3559 -42.3485 -42.3485 -42.0797 -42.0797 -15.6815 -15.6815 -15.3257 -15.3257 -15.2593 -15.2593 -15.2591 -15.2591 -6.2508 -6.2508 -5.8917 -5.8917 -5.4714 -5.4714 -5.4711 -5.4711 -2.4995 -2.4995 -1.8403 -1.8403 -1.8392 -1.8392 -1.5687 -1.5687 -0.5164 -0.5164 -0.1793 -0.1793 0.4466 0.4466 0.4492 0.4492 4.3604 4.3604 6.2119 6.2119 7.0655 7.0655 7.0656 7.0656 k = 0.2097 0.1462-0.0000 ( 15547 PWs) bands (ev): -43.4691 -43.4691 -42.3559 -42.3559 -42.3485 -42.3485 -42.0797 -42.0797 -15.6764 -15.6764 -15.3313 -15.3313 -15.2595 -15.2595 -15.2593 -15.2593 -6.2575 -6.2575 -5.8836 -5.8836 -5.4699 -5.4699 -5.4695 -5.4695 -2.4975 -2.4975 -1.8348 -1.8348 -1.8337 -1.8337 -1.5801 -1.5801 -0.5229 -0.5229 -0.1734 -0.1734 0.4444 0.4444 0.4469 0.4469 4.3952 4.3952 6.2502 6.2502 6.9918 6.9918 6.9919 6.9920 k = 0.2258 0.1575-0.0000 ( 15563 PWs) bands (ev): -43.4691 -43.4691 -42.3559 -42.3559 -42.3485 -42.3485 -42.0797 -42.0797 -15.6709 -15.6709 -15.3372 -15.3372 -15.2596 -15.2596 -15.2595 -15.2595 -6.2640 -6.2640 -5.8756 -5.8756 -5.4683 -5.4683 -5.4680 -5.4680 -2.4954 -2.4954 -1.8292 -1.8292 -1.8281 -1.8281 -1.5918 -1.5918 -0.5296 -0.5296 -0.1672 -0.1672 0.4422 0.4422 0.4446 0.4446 4.4312 4.4312 6.2902 6.2902 6.9194 6.9194 6.9195 6.9195 k = 0.2419 0.1687-0.0000 ( 15523 PWs) bands (ev): -43.4691 -43.4691 -42.3559 -42.3559 -42.3485 -42.3485 -42.0797 -42.0797 -15.6652 -15.6652 -15.3434 -15.3434 -15.2598 -15.2598 -15.2597 -15.2597 -6.2704 -6.2704 -5.8677 -5.8677 -5.4667 -5.4667 -5.4664 -5.4664 -2.4932 -2.4932 -1.8234 -1.8234 -1.8224 -1.8224 -1.6035 -1.6035 -0.5364 -0.5364 -0.1608 -0.1608 0.4399 0.4399 0.4422 0.4422 4.4682 4.4682 6.3314 6.3314 6.8487 6.8487 6.8488 6.8488 k = 0.2581 0.1800-0.0000 ( 15515 PWs) bands (ev): -43.4691 -43.4691 -42.3559 -42.3559 -42.3485 -42.3485 -42.0797 -42.0797 -15.6592 -15.6592 -15.3498 -15.3498 -15.2600 -15.2600 -15.2599 -15.2599 -6.2766 -6.2766 -5.8600 -5.8600 -5.4651 -5.4651 -5.4648 -5.4648 -2.4910 -2.4910 -1.8176 -1.8176 -1.8166 -1.8166 -1.6153 -1.6153 -0.5432 -0.5432 -0.1544 -0.1544 0.4376 0.4376 0.4399 0.4399 4.5057 4.5057 6.3734 6.3734 6.7802 6.7802 6.7803 6.7803 k = 0.2742 0.1912-0.0000 ( 15511 PWs) bands (ev): -43.4691 -43.4691 -42.3559 -42.3559 -42.3485 -42.3485 -42.0797 -42.0797 -15.6529 -15.6529 -15.3565 -15.3565 -15.2602 -15.2602 -15.2601 -15.2601 -6.2825 -6.2825 -5.8525 -5.8525 -5.4635 -5.4635 -5.4632 -5.4632 -2.4888 -2.4888 -1.8118 -1.8118 -1.8108 -1.8108 -1.6270 -1.6270 -0.5500 -0.5500 -0.1480 -0.1480 0.4353 0.4354 0.4375 0.4375 4.5435 4.5435 6.4157 6.4157 6.7145 6.7145 6.7146 6.7146 k = 0.2903 0.2025-0.0000 ( 15503 PWs) bands (ev): -43.4691 -43.4691 -42.3559 -42.3559 -42.3485 -42.3485 -42.0797 -42.0797 -15.6465 -15.6465 -15.3634 -15.3634 -15.2604 -15.2604 -15.2603 -15.2603 -6.2882 -6.2882 -5.8454 -5.8454 -5.4619 -5.4619 -5.4617 -5.4617 -2.4866 -2.4866 -1.8061 -1.8061 -1.8051 -1.8051 -1.6385 -1.6385 -0.5567 -0.5567 -0.1417 -0.1417 0.4331 0.4331 0.4352 0.4352 4.5810 4.5810 6.4580 6.4580 6.6518 6.6518 6.6519 6.6519 k = 0.3065 0.2137-0.0000 ( 15487 PWs) bands (ev): -43.4691 -43.4691 -42.3559 -42.3559 -42.3484 -42.3484 -42.0797 -42.0797 -15.6399 -15.6399 -15.3704 -15.3704 -15.2606 -15.2606 -15.2605 -15.2605 -6.2935 -6.2935 -5.8386 -5.8386 -5.4604 -5.4604 -5.4601 -5.4601 -2.4845 -2.4845 -1.8005 -1.8005 -1.7995 -1.7995 -1.6496 -1.6496 -0.5632 -0.5632 -0.1355 -0.1355 0.4310 0.4310 0.4329 0.4330 4.6180 4.6180 6.4997 6.4997 6.5926 6.5926 6.5927 6.5927 k = 0.3226 0.2250-0.0000 ( 15495 PWs) bands (ev): -43.4691 -43.4691 -42.3559 -42.3559 -42.3484 -42.3484 -42.0797 -42.0797 -15.6333 -15.6333 -15.3775 -15.3775 -15.2608 -15.2608 -15.2606 -15.2606 -6.2985 -6.2985 -5.8322 -5.8322 -5.4589 -5.4589 -5.4587 -5.4587 -2.4824 -2.4824 -1.7950 -1.7950 -1.7941 -1.7941 -1.6602 -1.6602 -0.5694 -0.5694 -0.1296 -0.1296 0.4289 0.4289 0.4308 0.4308 4.6541 4.6541 6.5371 6.5371 6.5372 6.5372 6.5404 6.5404 k = 0.3387 0.2362-0.0000 ( 15507 PWs) bands (ev): -43.4691 -43.4691 -42.3560 -42.3560 -42.3484 -42.3484 -42.0797 -42.0797 -15.6266 -15.6266 -15.3846 -15.3846 -15.2610 -15.2610 -15.2608 -15.2608 -6.3031 -6.3031 -5.8262 -5.8262 -5.4575 -5.4575 -5.4573 -5.4573 -2.4804 -2.4804 -1.7899 -1.7899 -1.7890 -1.7890 -1.6703 -1.6703 -0.5753 -0.5753 -0.1239 -0.1239 0.4269 0.4269 0.4287 0.4287 4.6888 4.6888 6.4856 6.4856 6.4857 6.4857 6.5795 6.5795 k = 0.3548 0.2475-0.0000 ( 15519 PWs) bands (ev): -43.4691 -43.4691 -42.3560 -42.3560 -42.3484 -42.3484 -42.0797 -42.0797 -15.6199 -15.6199 -15.3916 -15.3916 -15.2611 -15.2611 -15.2610 -15.2610 -6.3073 -6.3073 -5.8207 -5.8207 -5.4562 -5.4562 -5.4560 -5.4560 -2.4785 -2.4785 -1.7850 -1.7850 -1.7841 -1.7841 -1.6798 -1.6798 -0.5808 -0.5808 -0.1186 -0.1186 0.4251 0.4251 0.4268 0.4268 4.7218 4.7218 6.4384 6.4384 6.4385 6.4385 6.6165 6.6165 k = 0.3710 0.2587-0.0000 ( 15519 PWs) bands (ev): -43.4691 -43.4691 -42.3560 -42.3560 -42.3484 -42.3484 -42.0797 -42.0797 -15.6134 -15.6134 -15.3985 -15.3985 -15.2613 -15.2613 -15.2611 -15.2611 -6.3111 -6.3111 -5.8157 -5.8157 -5.4550 -5.4550 -5.4548 -5.4548 -2.4767 -2.4767 -1.7804 -1.7804 -1.7796 -1.7796 -1.6886 -1.6886 -0.5858 -0.5858 -0.1137 -0.1137 0.4234 0.4234 0.4250 0.4250 4.7527 4.7527 6.3956 6.3956 6.3957 6.3957 6.6510 6.6510 k = 0.3871 0.2700-0.0000 ( 15523 PWs) bands (ev): -43.4691 -43.4691 -42.3560 -42.3560 -42.3484 -42.3484 -42.0797 -42.0797 -15.6070 -15.6070 -15.4052 -15.4052 -15.2614 -15.2614 -15.2613 -15.2613 -6.3146 -6.3146 -5.8112 -5.8112 -5.4539 -5.4539 -5.4537 -5.4537 -2.4751 -2.4751 -1.7763 -1.7763 -1.7755 -1.7755 -1.6965 -1.6965 -0.5904 -0.5904 -0.1093 -0.1093 0.4218 0.4218 0.4233 0.4233 4.7810 4.7810 6.3574 6.3574 6.3575 6.3575 6.6825 6.6825 k = 0.4032 0.2812-0.0000 ( 15544 PWs) bands (ev): -43.4691 -43.4691 -42.3560 -42.3560 -42.3484 -42.3484 -42.0797 -42.0797 -15.6010 -15.6010 -15.4115 -15.4115 -15.2615 -15.2615 -15.2614 -15.2614 -6.3175 -6.3175 -5.8073 -5.8073 -5.4529 -5.4529 -5.4527 -5.4527 -2.4736 -2.4736 -1.7726 -1.7726 -1.7718 -1.7718 -1.7035 -1.7035 -0.5945 -0.5945 -0.1053 -0.1053 0.4205 0.4205 0.4219 0.4219 4.8065 4.8065 6.3240 6.3240 6.3241 6.3241 6.7106 6.7106 k = 0.4194 0.2925-0.0000 ( 15536 PWs) bands (ev): -43.4691 -43.4691 -42.3560 -42.3560 -42.3484 -42.3484 -42.0797 -42.0797 -15.5955 -15.5955 -15.4172 -15.4172 -15.2616 -15.2616 -15.2615 -15.2615 -6.3201 -6.3201 -5.8039 -5.8039 -5.4521 -5.4521 -5.4519 -5.4519 -2.4724 -2.4724 -1.7694 -1.7694 -1.7687 -1.7687 -1.7095 -1.7095 -0.5979 -0.5979 -0.1019 -0.1019 0.4193 0.4193 0.4206 0.4206 4.8287 4.8287 6.2956 6.2956 6.2956 6.2956 6.7350 6.7350 k = 0.4355 0.3037-0.0000 ( 15544 PWs) bands (ev): -43.4691 -43.4691 -42.3560 -42.3560 -42.3484 -42.3484 -42.0797 -42.0797 -15.5906 -15.5906 -15.4223 -15.4223 -15.2617 -15.2617 -15.2616 -15.2616 -6.3222 -6.3222 -5.8011 -5.8011 -5.4514 -5.4514 -5.4512 -5.4512 -2.4713 -2.4713 -1.7668 -1.7668 -1.7660 -1.7660 -1.7146 -1.7146 -0.6008 -0.6008 -0.0991 -0.0991 0.4183 0.4183 0.4195 0.4195 4.8473 4.8473 6.2721 6.2721 6.2722 6.2722 6.7553 6.7553 k = 0.4516 0.3150-0.0000 ( 15568 PWs) bands (ev): -43.4691 -43.4691 -42.3560 -42.3560 -42.3484 -42.3484 -42.0797 -42.0797 -15.5865 -15.5865 -15.4266 -15.4266 -15.2618 -15.2618 -15.2616 -15.2616 -6.3238 -6.3238 -5.7989 -5.7989 -5.4508 -5.4508 -5.4506 -5.4506 -2.4705 -2.4705 -1.7647 -1.7647 -1.7639 -1.7639 -1.7185 -1.7185 -0.6031 -0.6031 -0.0969 -0.0969 0.4175 0.4175 0.4187 0.4187 4.8621 4.8621 6.2538 6.2538 6.2538 6.2538 6.7713 6.7713 k = 0.4677 0.3262-0.0000 ( 15580 PWs) bands (ev): -43.4691 -43.4691 -42.3560 -42.3560 -42.3484 -42.3484 -42.0797 -42.0797 -15.5834 -15.5834 -15.4298 -15.4298 -15.2619 -15.2619 -15.2617 -15.2617 -6.3250 -6.3250 -5.7974 -5.7974 -5.4504 -5.4504 -5.4502 -5.4502 -2.4699 -2.4699 -1.7631 -1.7631 -1.7624 -1.7624 -1.7214 -1.7214 -0.6047 -0.6047 -0.0953 -0.0953 0.4170 0.4170 0.4181 0.4181 4.8728 4.8728 6.2406 6.2406 6.2407 6.2407 6.7829 6.7829 k = 0.4839 0.3375-0.0000 ( 15576 PWs) bands (ev): -43.4691 -43.4691 -42.3560 -42.3560 -42.3484 -42.3484 -42.0797 -42.0797 -15.5815 -15.5815 -15.4318 -15.4318 -15.2619 -15.2619 -15.2617 -15.2617 -6.3257 -6.3257 -5.7964 -5.7964 -5.4502 -5.4501 -5.4500 -5.4500 -2.4695 -2.4695 -1.7622 -1.7622 -1.7615 -1.7615 -1.7231 -1.7231 -0.6057 -0.6057 -0.0943 -0.0943 0.4166 0.4166 0.4177 0.4178 4.8793 4.8793 6.2327 6.2327 6.2328 6.2328 6.7899 6.7899 k = 0.5000 0.3487-0.0000 ( 15552 PWs) bands (ev): -43.4691 -43.4691 -42.3560 -42.3560 -42.3484 -42.3484 -42.0797 -42.0797 -15.5808 -15.5808 -15.4325 -15.4325 -15.2619 -15.2619 -15.2617 -15.2617 -6.3259 -6.3259 -5.7961 -5.7961 -5.4501 -5.4501 -5.4499 -5.4499 -2.4694 -2.4694 -1.7619 -1.7619 -1.7612 -1.7612 -1.7237 -1.7237 -0.6060 -0.6060 -0.0940 -0.0940 0.4165 0.4165 0.4176 0.4176 4.8815 4.8815 6.2301 6.2301 6.2302 6.2302 6.7922 6.7922 k = 0.5000 0.3487-0.0000 ( 15552 PWs) bands (ev): -43.4691 -43.4691 -42.3560 -42.3560 -42.3484 -42.3484 -42.0797 -42.0797 -15.5808 -15.5808 -15.4325 -15.4325 -15.2619 -15.2619 -15.2617 -15.2617 -6.3259 -6.3259 -5.7961 -5.7961 -5.4501 -5.4501 -5.4499 -5.4499 -2.4694 -2.4694 -1.7619 -1.7619 -1.7612 -1.7612 -1.7237 -1.7237 -0.6060 -0.6060 -0.0940 -0.0940 0.4165 0.4165 0.4176 0.4176 4.8815 4.8815 6.2301 6.2301 6.2302 6.2302 6.7922 6.7922 k = 0.4921 0.3600 0.0138 ( 15550 PWs) bands (ev): -43.4691 -43.4691 -42.3560 -42.3560 -42.3484 -42.3484 -42.0797 -42.0797 -15.5807 -15.5807 -15.4324 -15.4324 -15.2621 -15.2621 -15.2618 -15.2618 -6.3256 -6.3256 -5.7960 -5.7960 -5.4505 -5.4504 -5.4503 -5.4503 -2.4694 -2.4693 -1.7669 -1.7664 -1.7620 -1.7619 -1.7190 -1.7183 -0.6057 -0.6056 -0.0941 -0.0941 0.4159 0.4160 0.4170 0.4172 4.8835 4.8835 6.2297 6.2297 6.2326 6.2326 6.7952 6.7952 k = 0.4842 0.3713 0.0276 ( 15570 PWs) bands (ev): -43.4691 -43.4691 -42.3560 -42.3560 -42.3484 -42.3484 -42.0798 -42.0798 -15.5801 -15.5801 -15.4323 -15.4323 -15.2627 -15.2627 -15.2618 -15.2618 -6.3246 -6.3246 -5.7956 -5.7956 -5.4517 -5.4516 -5.4513 -5.4513 -2.4694 -2.4692 -1.7781 -1.7773 -1.7633 -1.7632 -1.7081 -1.7071 -0.6045 -0.6043 -0.0944 -0.0943 0.4140 0.4143 0.4154 0.4157 4.8894 4.8894 6.2283 6.2283 6.2400 6.2400 6.8041 6.8042 k = 0.4764 0.3826 0.0413 ( 15574 PWs) bands (ev): -43.4691 -43.4691 -42.3560 -42.3560 -42.3484 -42.3484 -42.0798 -42.0798 -15.5792 -15.5792 -15.4321 -15.4321 -15.2637 -15.2637 -15.2618 -15.2618 -6.3229 -6.3229 -5.7951 -5.7950 -5.4536 -5.4535 -5.4530 -5.4529 -2.4694 -2.4691 -1.7911 -1.7902 -1.7654 -1.7653 -1.6951 -1.6940 -0.6025 -0.6022 -0.0948 -0.0947 0.4107 0.4112 0.4131 0.4134 4.8991 4.8992 6.2262 6.2262 6.2522 6.2522 6.8188 6.8189 k = 0.4685 0.3939 0.0551 ( 15570 PWs) bands (ev): -43.4691 -43.4691 -42.3559 -42.3559 -42.3484 -42.3484 -42.0798 -42.0798 -15.5779 -15.5779 -15.4319 -15.4319 -15.2652 -15.2652 -15.2618 -15.2618 -6.3206 -6.3206 -5.7942 -5.7942 -5.4564 -5.4563 -5.4553 -5.4552 -2.4693 -2.4689 -1.8047 -1.8038 -1.7684 -1.7682 -1.6815 -1.6803 -0.5998 -0.5994 -0.0953 -0.0952 0.4061 0.4068 0.4099 0.4104 4.9127 4.9128 6.2235 6.2235 6.2693 6.2693 6.8390 6.8391 k = 0.4606 0.4052 0.0689 ( 15566 PWs) bands (ev): -43.4691 -43.4691 -42.3558 -42.3558 -42.3485 -42.3485 -42.0799 -42.0799 -15.5762 -15.5762 -15.4315 -15.4315 -15.2670 -15.2670 -15.2618 -15.2618 -6.3177 -6.3176 -5.7932 -5.7932 -5.4600 -5.4598 -5.4582 -5.4581 -2.4692 -2.4687 -1.8185 -1.8176 -1.7721 -1.7719 -1.6676 -1.6664 -0.5962 -0.5957 -0.0960 -0.0958 0.4002 0.4010 0.4058 0.4065 4.9301 4.9302 6.2203 6.2203 6.2911 6.2911 6.8644 6.8645 k = 0.4527 0.4165 0.0827 ( 15564 PWs) bands (ev): -43.4691 -43.4691 -42.3558 -42.3558 -42.3485 -42.3485 -42.0799 -42.0799 -15.5742 -15.5742 -15.4312 -15.4312 -15.2692 -15.2692 -15.2618 -15.2618 -6.3141 -6.3140 -5.7919 -5.7919 -5.4642 -5.4640 -5.4618 -5.4617 -2.4690 -2.4685 -1.8322 -1.8314 -1.7766 -1.7764 -1.6537 -1.6525 -0.5919 -0.5914 -0.0967 -0.0965 0.3931 0.3941 0.4010 0.4018 4.9512 4.9513 6.2168 6.2168 6.3175 6.3175 6.8947 6.8949 k = 0.4448 0.4278 0.0965 ( 15554 PWs) bands (ev): -43.4691 -43.4691 -42.3557 -42.3557 -42.3485 -42.3485 -42.0800 -42.0800 -15.5718 -15.5718 -15.4308 -15.4308 -15.2718 -15.2718 -15.2618 -15.2618 -6.3099 -6.3098 -5.7904 -5.7904 -5.4692 -5.4689 -5.4660 -5.4659 -2.4688 -2.4682 -1.8459 -1.8451 -1.7818 -1.7815 -1.6398 -1.6386 -0.5870 -0.5863 -0.0974 -0.0972 0.3849 0.3859 0.3954 0.3963 4.9759 4.9760 6.2132 6.2132 6.3483 6.3484 6.9296 6.9297 k = 0.4369 0.4391 0.1102 ( 15540 PWs) bands (ev): -43.4691 -43.4691 -42.3556 -42.3556 -42.3485 -42.3485 -42.0801 -42.0801 -15.5691 -15.5691 -15.4304 -15.4304 -15.2747 -15.2747 -15.2618 -15.2618 -6.3051 -6.3050 -5.7887 -5.7887 -5.4748 -5.4745 -5.4708 -5.4707 -2.4686 -2.4679 -1.8593 -1.8585 -1.7876 -1.7874 -1.6261 -1.6248 -0.5813 -0.5805 -0.0981 -0.0979 0.3755 0.3767 0.3890 0.3900 5.0041 5.0042 6.2095 6.2095 6.3835 6.3835 6.9687 6.9688 k = 0.4291 0.4504 0.1240 ( 15526 PWs) bands (ev): -43.4691 -43.4691 -42.3555 -42.3555 -42.3486 -42.3486 -42.0801 -42.0801 -15.5660 -15.5660 -15.4300 -15.4300 -15.2780 -15.2780 -15.2618 -15.2618 -6.2997 -6.2996 -5.7868 -5.7867 -5.4811 -5.4807 -5.4762 -5.4761 -2.4684 -2.4676 -1.8724 -1.8716 -1.7942 -1.7939 -1.6126 -1.6112 -0.5750 -0.5742 -0.0988 -0.0985 0.3651 0.3665 0.3818 0.3830 5.0355 5.0357 6.2058 6.2059 6.4227 6.4228 7.0117 7.0118 k = 0.4212 0.4617 0.1378 ( 15536 PWs) bands (ev): -43.4691 -43.4691 -42.3553 -42.3553 -42.3486 -42.3486 -42.0802 -42.0802 -15.5626 -15.5626 -15.4297 -15.4297 -15.2814 -15.2814 -15.2618 -15.2618 -6.2938 -6.2937 -5.7846 -5.7846 -5.4879 -5.4875 -5.4822 -5.4820 -2.4681 -2.4673 -1.8852 -1.8844 -1.8012 -1.8009 -1.5992 -1.5979 -0.5681 -0.5672 -0.0993 -0.0990 0.3538 0.3553 0.3740 0.3752 5.0701 5.0703 6.2022 6.2023 6.4658 6.4659 7.0583 7.0584 k = 0.4133 0.4731 0.1516 ( 15524 PWs) bands (ev): -43.4691 -43.4691 -42.3552 -42.3552 -42.3486 -42.3486 -42.0803 -42.0803 -15.5589 -15.5589 -15.4294 -15.4294 -15.2851 -15.2851 -15.2619 -15.2619 -6.2874 -6.2872 -5.7823 -5.7822 -5.4952 -5.4948 -5.4887 -5.4885 -2.4678 -2.4669 -1.8975 -1.8968 -1.8089 -1.8085 -1.5861 -1.5848 -0.5607 -0.5597 -0.0997 -0.0994 0.3416 0.3432 0.3654 0.3668 5.1077 5.1078 6.1986 6.1987 6.5125 6.5126 7.1081 7.1082 k = 0.4054 0.4844 0.1654 ( 15500 PWs) bands (ev): -43.4691 -43.4691 -42.3550 -42.3550 -42.3487 -42.3487 -42.0804 -42.0804 -15.5549 -15.5549 -15.4292 -15.4292 -15.2890 -15.2890 -15.2619 -15.2619 -6.2805 -6.2803 -5.7797 -5.7796 -5.5030 -5.5026 -5.4957 -5.4955 -2.4674 -2.4665 -1.9095 -1.9088 -1.8169 -1.8166 -1.5733 -1.5719 -0.5527 -0.5517 -0.0998 -0.0995 0.3286 0.3303 0.3562 0.3577 5.1479 5.1481 6.1951 6.1952 6.5625 6.5627 7.1609 7.1610 k = 0.3975 0.4957 0.1792 ( 15504 PWs) bands (ev): -43.4691 -43.4691 -42.3549 -42.3549 -42.3487 -42.3487 -42.0805 -42.0805 -15.5506 -15.5506 -15.4293 -15.4292 -15.2929 -15.2929 -15.2619 -15.2619 -6.2731 -6.2730 -5.7770 -5.7769 -5.5113 -5.5108 -5.5032 -5.5030 -2.4671 -2.4661 -1.9209 -1.9202 -1.8255 -1.8251 -1.5607 -1.5593 -0.5443 -0.5432 -0.0996 -0.0993 0.3148 0.3167 0.3465 0.3481 5.1906 5.1908 6.1916 6.1916 6.6156 6.6157 7.2164 7.2165 k = 0.3896 0.5070 0.1929 ( 15500 PWs) bands (ev): -43.4691 -43.4691 -42.3547 -42.3547 -42.3488 -42.3488 -42.0806 -42.0806 -15.5460 -15.5460 -15.4295 -15.4295 -15.2969 -15.2969 -15.2620 -15.2620 -6.2654 -6.2652 -5.7741 -5.7740 -5.5199 -5.5194 -5.5111 -5.5110 -2.4667 -2.4656 -1.9318 -1.9311 -1.8343 -1.8340 -1.5485 -1.5471 -0.5354 -0.5342 -0.0991 -0.0988 0.3005 0.3024 0.3361 0.3378 5.2353 5.2355 6.1880 6.1881 6.6713 6.6715 7.2742 7.2743 k = 0.3818 0.5183 0.2067 ( 15488 PWs) bands (ev): -43.4691 -43.4691 -42.3546 -42.3546 -42.3488 -42.3488 -42.0807 -42.0807 -15.5411 -15.5411 -15.4299 -15.4299 -15.3009 -15.3009 -15.2620 -15.2620 -6.2572 -6.2570 -5.7710 -5.7709 -5.5288 -5.5283 -5.5195 -5.5193 -2.4662 -2.4652 -1.9422 -1.9414 -1.8435 -1.8432 -1.5366 -1.5352 -0.5261 -0.5249 -0.0982 -0.0978 0.2856 0.2876 0.3253 0.3271 5.2818 5.2820 6.1846 6.1847 6.7294 6.7295 7.3341 7.3342 k = 0.3739 0.5296 0.2205 ( 15494 PWs) bands (ev): -43.4691 -43.4691 -42.3544 -42.3544 -42.3489 -42.3489 -42.0808 -42.0808 -15.5360 -15.5360 -15.4307 -15.4307 -15.3048 -15.3048 -15.2621 -15.2621 -6.2488 -6.2486 -5.7678 -5.7677 -5.5379 -5.5374 -5.5282 -5.5280 -2.4658 -2.4647 -1.9519 -1.9511 -1.8530 -1.8527 -1.5251 -1.5237 -0.5164 -0.5151 -0.0968 -0.0965 0.2703 0.2724 0.3139 0.3158 5.3295 5.3297 6.1813 6.1814 6.7893 6.7894 7.3957 7.3959 k = 0.3660 0.5409 0.2343 ( 15482 PWs) bands (ev): -43.4691 -43.4691 -42.3542 -42.3542 -42.3490 -42.3490 -42.0809 -42.0809 -15.5307 -15.5307 -15.4319 -15.4319 -15.3084 -15.3084 -15.2622 -15.2622 -6.2401 -6.2399 -5.7644 -5.7644 -5.5472 -5.5467 -5.5371 -5.5369 -2.4653 -2.4642 -1.9610 -1.9602 -1.8627 -1.8623 -1.5140 -1.5125 -0.5063 -0.5050 -0.0950 -0.0946 0.2546 0.2569 0.3022 0.3042 5.3779 5.3781 6.1783 6.1784 6.8505 6.8507 7.4588 7.4589 k = 0.3581 0.5522 0.2481 ( 15488 PWs) bands (ev): -43.4691 -43.4691 -42.3541 -42.3541 -42.3490 -42.3490 -42.0811 -42.0811 -15.5252 -15.5251 -15.4336 -15.4335 -15.3118 -15.3118 -15.2623 -15.2623 -6.2312 -6.2310 -5.7610 -5.7610 -5.5567 -5.5562 -5.5462 -5.5461 -2.4648 -2.4636 -1.9694 -1.9686 -1.8725 -1.8721 -1.5033 -1.5018 -0.4959 -0.4946 -0.0926 -0.0922 0.2387 0.2410 0.2900 0.2921 5.4262 5.4264 6.1761 6.1762 6.9127 6.9129 7.5229 7.5230 k = 0.3502 0.5635 0.2618 ( 15494 PWs) bands (ev): -43.4691 -43.4691 -42.3539 -42.3539 -42.3491 -42.3491 -42.0812 -42.0812 -15.5195 -15.5195 -15.4357 -15.4357 -15.3148 -15.3148 -15.2624 -15.2624 -6.2222 -6.2220 -5.7576 -5.7575 -5.5662 -5.5657 -5.5554 -5.5553 -2.4642 -2.4631 -1.9771 -1.9763 -1.8824 -1.8821 -1.4930 -1.4915 -0.4852 -0.4839 -0.0896 -0.0892 0.2227 0.2250 0.2776 0.2797 5.4735 5.4737 6.1751 6.1752 6.9752 6.9754 7.5877 7.5879 k = 0.3423 0.5748 0.2756 ( 15504 PWs) bands (ev): -43.4691 -43.4691 -42.3537 -42.3537 -42.3492 -42.3492 -42.0813 -42.0813 -15.5137 -15.5137 -15.4383 -15.4383 -15.3174 -15.3174 -15.2625 -15.2625 -6.2131 -6.2129 -5.7541 -5.7540 -5.5758 -5.5754 -5.5644 -5.5644 -2.4637 -2.4625 -1.9842 -1.9833 -1.8924 -1.8920 -1.4832 -1.4817 -0.4742 -0.4728 -0.0860 -0.0856 0.2066 0.2090 0.2648 0.2671 5.5185 5.5187 6.1762 6.1764 7.0374 7.0376 7.6529 7.6530 k = 0.3345 0.5861 0.2894 ( 15508 PWs) bands (ev): -43.4691 -43.4691 -42.3535 -42.3535 -42.3493 -42.3493 -42.0814 -42.0814 -15.5080 -15.5080 -15.4414 -15.4413 -15.3195 -15.3195 -15.2627 -15.2627 -6.2040 -6.2038 -5.7507 -5.7506 -5.5855 -5.5851 -5.5733 -5.5732 -2.4631 -2.4619 -1.9905 -1.9895 -1.9023 -1.9019 -1.4738 -1.4724 -0.4630 -0.4615 -0.0818 -0.0814 0.1905 0.1930 0.2518 0.2541 5.5599 5.5600 6.1806 6.1807 7.0985 7.0987 7.7180 7.7182 k = 0.3266 0.5974 0.3032 ( 15508 PWs) bands (ev): -43.4691 -43.4691 -42.3534 -42.3534 -42.3494 -42.3494 -42.0815 -42.0815 -15.5023 -15.5023 -15.4448 -15.4448 -15.3211 -15.3211 -15.2628 -15.2628 -6.1950 -6.1948 -5.7474 -5.7473 -5.5952 -5.5949 -5.5817 -5.5816 -2.4624 -2.4612 -1.9960 -1.9950 -1.9122 -1.9118 -1.4650 -1.4635 -0.4515 -0.4500 -0.0770 -0.0765 0.1747 0.1772 0.2386 0.2410 5.5958 5.5959 6.1897 6.1897 7.1579 7.1581 7.7827 7.7829 k = 0.3187 0.6087 0.3170 ( 15506 PWs) bands (ev): -43.4691 -43.4691 -42.3532 -42.3532 -42.3494 -42.3494 -42.0816 -42.0816 -15.4971 -15.4971 -15.4483 -15.4483 -15.3222 -15.3221 -15.2630 -15.2630 -6.1862 -6.1860 -5.7444 -5.7443 -5.6049 -5.6047 -5.5896 -5.5894 -2.4618 -2.4606 -2.0008 -1.9998 -1.9219 -1.9215 -1.4566 -1.4552 -0.4397 -0.4383 -0.0716 -0.0711 0.1591 0.1616 0.2253 0.2278 5.6244 5.6245 6.2049 6.2049 7.2146 7.2149 7.8466 7.8467 k = 0.3108 0.6200 0.3307 ( 15502 PWs) bands (ev): -43.4691 -43.4691 -42.3530 -42.3530 -42.3495 -42.3495 -42.0816 -42.0816 -15.4927 -15.4926 -15.4516 -15.4515 -15.3227 -15.3227 -15.2632 -15.2632 -6.1776 -6.1774 -5.7417 -5.7417 -5.6145 -5.6144 -5.5967 -5.5965 -2.4611 -2.4600 -2.0049 -2.0038 -1.9315 -1.9311 -1.4488 -1.4474 -0.4279 -0.4264 -0.0656 -0.0651 0.1439 0.1464 0.2120 0.2145 5.6440 5.6442 6.2276 6.2277 7.2679 7.2682 7.9092 7.9094 k = 0.3108 0.6200 0.3307 ( 15502 PWs) bands (ev): -43.4691 -43.4691 -42.3530 -42.3530 -42.3495 -42.3495 -42.0816 -42.0816 -15.4927 -15.4926 -15.4516 -15.4515 -15.3227 -15.3227 -15.2632 -15.2632 -6.1776 -6.1774 -5.7417 -5.7417 -5.6145 -5.6144 -5.5967 -5.5965 -2.4611 -2.4600 -2.0049 -2.0038 -1.9315 -1.9311 -1.4488 -1.4474 -0.4279 -0.4264 -0.0656 -0.0651 0.1439 0.1464 0.2120 0.2145 5.6440 5.6442 6.2276 6.2277 7.2679 7.2682 7.9092 7.9094 k = 0.2935 0.6152 0.3366 ( 15490 PWs) bands (ev): -43.4691 -43.4691 -42.3529 -42.3529 -42.3496 -42.3496 -42.0817 -42.0817 -15.4918 -15.4918 -15.4521 -15.4521 -15.3227 -15.3227 -15.2634 -15.2633 -6.1740 -6.1738 -5.7409 -5.7408 -5.6190 -5.6189 -5.5990 -5.5988 -2.4608 -2.4597 -2.0064 -2.0054 -1.9356 -1.9352 -1.4456 -1.4442 -0.4226 -0.4211 -0.0628 -0.0623 0.1375 0.1400 0.2061 0.2087 5.6488 5.6490 6.2404 6.2404 7.2906 7.2908 7.9351 7.9352 k = 0.2763 0.6103 0.3426 ( 15490 PWs) bands (ev): -43.4691 -43.4691 -42.3529 -42.3529 -42.3496 -42.3496 -42.0817 -42.0817 -15.4922 -15.4922 -15.4516 -15.4516 -15.3223 -15.3223 -15.2636 -15.2636 -6.1702 -6.1700 -5.7404 -5.7404 -5.6242 -5.6240 -5.6004 -5.6002 -2.4605 -2.4594 -2.0079 -2.0068 -1.9399 -1.9394 -1.4424 -1.4411 -0.4169 -0.4154 -0.0598 -0.0593 0.1310 0.1336 0.2001 0.2027 5.6508 5.6510 6.2552 6.2553 7.3144 7.3146 7.9596 7.9598 k = 0.2590 0.6055 0.3485 ( 15496 PWs) bands (ev): -43.4691 -43.4691 -42.3528 -42.3528 -42.3496 -42.3496 -42.0817 -42.0817 -15.4937 -15.4937 -15.4502 -15.4502 -15.3216 -15.3216 -15.2639 -15.2639 -6.1664 -6.1663 -5.7403 -5.7402 -5.6298 -5.6296 -5.6012 -5.6009 -2.4602 -2.4591 -2.0093 -2.0082 -1.9441 -1.9437 -1.4393 -1.4380 -0.4109 -0.4095 -0.0565 -0.0560 0.1246 0.1271 0.1938 0.1964 5.6508 5.6509 6.2714 6.2715 7.3392 7.3395 7.9830 7.9832 k = 0.2417 0.6006 0.3544 ( 15496 PWs) bands (ev): -43.4691 -43.4691 -42.3528 -42.3528 -42.3497 -42.3497 -42.0817 -42.0817 -15.4958 -15.4958 -15.4484 -15.4484 -15.3206 -15.3206 -15.2644 -15.2644 -6.1626 -6.1625 -5.7404 -5.7404 -5.6356 -5.6355 -5.6014 -5.6012 -2.4599 -2.4588 -2.0106 -2.0095 -1.9483 -1.9479 -1.4363 -1.4350 -0.4046 -0.4032 -0.0530 -0.0524 0.1181 0.1207 0.1874 0.1900 5.6491 5.6493 6.2883 6.2884 7.3649 7.3651 8.0051 8.0054 k = 0.2245 0.5958 0.3603 ( 15490 PWs) bands (ev): -43.4691 -43.4691 -42.3527 -42.3527 -42.3497 -42.3497 -42.0818 -42.0818 -15.4984 -15.4984 -15.4463 -15.4463 -15.3193 -15.3193 -15.2649 -15.2649 -6.1588 -6.1587 -5.7408 -5.7408 -5.6415 -5.6414 -5.6013 -5.6011 -2.4595 -2.4584 -2.0119 -2.0109 -1.9524 -1.9520 -1.4333 -1.4321 -0.3981 -0.3967 -0.0492 -0.0487 0.1117 0.1142 0.1808 0.1835 5.6464 5.6466 6.3053 6.3055 7.3911 7.3914 8.0259 8.0263 k = 0.2072 0.5909 0.3662 ( 15491 PWs) bands (ev): -43.4691 -43.4691 -42.3526 -42.3526 -42.3498 -42.3498 -42.0818 -42.0818 -15.5011 -15.5011 -15.4443 -15.4443 -15.3176 -15.3176 -15.2656 -15.2656 -6.1551 -6.1549 -5.7414 -5.7413 -5.6474 -5.6474 -5.6009 -5.6007 -2.4591 -2.4581 -2.0133 -2.0123 -1.9563 -1.9559 -1.4305 -1.4293 -0.3913 -0.3900 -0.0453 -0.0447 0.1052 0.1078 0.1742 0.1768 5.6430 5.6432 6.3221 6.3223 7.4177 7.4180 8.0452 8.0457 k = 0.1899 0.5861 0.3721 ( 15496 PWs) bands (ev): -43.4691 -43.4691 -42.3526 -42.3526 -42.3498 -42.3498 -42.0818 -42.0818 -15.5038 -15.5038 -15.4424 -15.4424 -15.3157 -15.3157 -15.2664 -15.2664 -6.1514 -6.1513 -5.7421 -5.7420 -5.6533 -5.6532 -5.6003 -5.6001 -2.4586 -2.4577 -2.0147 -2.0138 -1.9599 -1.9596 -1.4278 -1.4267 -0.3845 -0.3832 -0.0412 -0.0406 0.0989 0.1014 0.1674 0.1700 5.6393 5.6394 6.3382 6.3384 7.4444 7.4446 8.0629 8.0634 k = 0.1727 0.5813 0.3780 ( 15488 PWs) bands (ev): -43.4691 -43.4691 -42.3525 -42.3525 -42.3498 -42.3498 -42.0818 -42.0818 -15.5064 -15.5064 -15.4407 -15.4407 -15.3136 -15.3136 -15.2674 -15.2674 -6.1479 -6.1477 -5.7428 -5.7428 -5.6589 -5.6588 -5.5997 -5.5995 -2.4582 -2.4573 -2.0162 -2.0153 -1.9633 -1.9630 -1.4253 -1.4242 -0.3776 -0.3764 -0.0369 -0.0363 0.0926 0.0951 0.1607 0.1632 5.6353 5.6355 6.3535 6.3537 7.4709 7.4711 8.0788 8.0793 k = 0.1554 0.5764 0.3839 ( 15484 PWs) bands (ev): -43.4691 -43.4691 -42.3525 -42.3525 -42.3499 -42.3499 -42.0819 -42.0819 -15.5090 -15.5089 -15.4392 -15.4392 -15.3112 -15.3112 -15.2685 -15.2685 -6.1445 -6.1443 -5.7436 -5.7436 -5.6642 -5.6642 -5.5989 -5.5988 -2.4577 -2.4569 -2.0177 -2.0170 -1.9663 -1.9660 -1.4230 -1.4220 -0.3708 -0.3697 -0.0324 -0.0319 0.0865 0.0889 0.1541 0.1565 5.6315 5.6316 6.3677 6.3679 7.4968 7.4970 8.0926 8.0931 k = 0.1381 0.5716 0.3898 ( 15470 PWs) bands (ev): -43.4691 -43.4691 -42.3524 -42.3524 -42.3499 -42.3499 -42.0819 -42.0819 -15.5113 -15.5113 -15.4379 -15.4379 -15.3087 -15.3087 -15.2697 -15.2697 -6.1413 -6.1412 -5.7444 -5.7444 -5.6693 -5.6692 -5.5982 -5.5980 -2.4573 -2.4566 -2.0193 -2.0186 -1.9689 -1.9687 -1.4208 -1.4199 -0.3642 -0.3632 -0.0280 -0.0275 0.0806 0.0828 0.1476 0.1500 5.6278 5.6279 6.3807 6.3809 7.5219 7.5221 8.1043 8.1048 k = 0.1209 0.5667 0.3957 ( 15466 PWs) bands (ev): -43.4691 -43.4691 -42.3524 -42.3524 -42.3499 -42.3499 -42.0819 -42.0819 -15.5134 -15.5134 -15.4368 -15.4368 -15.3061 -15.3061 -15.2711 -15.2711 -6.1384 -6.1383 -5.7452 -5.7452 -5.6739 -5.6738 -5.5974 -5.5973 -2.4568 -2.4562 -2.0209 -2.0203 -1.9712 -1.9709 -1.4189 -1.4181 -0.3579 -0.3570 -0.0235 -0.0230 0.0749 0.0770 0.1415 0.1437 5.6243 5.6244 6.3924 6.3926 7.5458 7.5460 8.1138 8.1143 k = 0.1036 0.5619 0.4016 ( 15476 PWs) bands (ev): -43.4691 -43.4691 -42.3523 -42.3523 -42.3499 -42.3499 -42.0819 -42.0819 -15.5152 -15.5152 -15.4359 -15.4359 -15.3034 -15.3034 -15.2726 -15.2726 -6.1357 -6.1356 -5.7459 -5.7459 -5.6781 -5.6780 -5.5967 -5.5966 -2.4564 -2.4558 -2.0224 -2.0220 -1.9730 -1.9728 -1.4172 -1.4165 -0.3520 -0.3512 -0.0191 -0.0186 0.0696 0.0716 0.1358 0.1378 5.6212 5.6213 6.4027 6.4029 7.5679 7.5681 8.1210 8.1215 k = 0.0863 0.5570 0.4075 ( 15475 PWs) bands (ev): -43.4691 -43.4691 -42.3523 -42.3523 -42.3500 -42.3500 -42.0819 -42.0819 -15.5168 -15.5168 -15.4352 -15.4352 -15.3007 -15.3007 -15.2742 -15.2742 -6.1334 -6.1333 -5.7466 -5.7465 -5.6817 -5.6817 -5.5961 -5.5960 -2.4560 -2.4555 -2.0239 -2.0235 -1.9745 -1.9743 -1.4157 -1.4152 -0.3468 -0.3461 -0.0148 -0.0144 0.0647 0.0664 0.1306 0.1324 5.6185 5.6186 6.4115 6.4116 7.5880 7.5881 8.1263 8.1268 k = 0.0691 0.5522 0.4134 ( 15473 PWs) bands (ev): -43.4691 -43.4691 -42.3523 -42.3523 -42.3500 -42.3500 -42.0819 -42.0819 -15.5182 -15.5182 -15.4347 -15.4347 -15.2980 -15.2980 -15.2759 -15.2759 -6.1315 -6.1314 -5.7471 -5.7471 -5.6848 -5.6847 -5.5955 -5.5955 -2.4556 -2.4553 -2.0252 -2.0249 -1.9757 -1.9755 -1.4145 -1.4141 -0.3422 -0.3416 -0.0109 -0.0106 0.0604 0.0618 0.1262 0.1277 5.6163 5.6164 6.4187 6.4189 7.6053 7.6055 8.1298 8.1302 k = 0.0518 0.5473 0.4193 ( 15474 PWs) bands (ev): -43.4691 -43.4691 -42.3522 -42.3522 -42.3500 -42.3500 -42.0819 -42.0819 -15.5192 -15.5192 -15.4343 -15.4343 -15.2955 -15.2955 -15.2777 -15.2777 -6.1299 -6.1298 -5.7475 -5.7475 -5.6872 -5.6872 -5.5951 -5.5950 -2.4553 -2.4551 -2.0263 -2.0261 -1.9766 -1.9765 -1.4135 -1.4132 -0.3385 -0.3381 -0.0075 -0.0072 0.0567 0.0579 0.1226 0.1238 5.6145 5.6146 6.4244 6.4245 7.6195 7.6196 8.1320 8.1323 k = 0.0345 0.5425 0.4252 ( 15474 PWs) bands (ev): -43.4691 -43.4691 -42.3522 -42.3522 -42.3500 -42.3500 -42.0819 -42.0819 -15.5199 -15.5199 -15.4340 -15.4340 -15.2932 -15.2932 -15.2794 -15.2794 -6.1288 -6.1287 -5.7479 -5.7478 -5.6890 -5.6890 -5.5948 -5.5947 -2.4551 -2.4549 -2.0271 -2.0269 -1.9772 -1.9771 -1.4128 -1.4126 -0.3357 -0.3354 -0.0047 -0.0045 0.0539 0.0548 0.1200 0.1208 5.6133 5.6133 6.4285 6.4286 7.6301 7.6302 8.1331 8.1333 k = 0.0173 0.5377 0.4311 ( 15470 PWs) bands (ev): -43.4691 -43.4691 -42.3522 -42.3522 -42.3500 -42.3500 -42.0819 -42.0819 -15.5204 -15.5204 -15.4338 -15.4338 -15.2915 -15.2915 -15.2808 -15.2808 -6.1281 -6.1280 -5.7480 -5.7480 -5.6901 -5.6901 -5.5946 -5.5945 -2.4549 -2.4549 -2.0275 -2.0275 -1.9775 -1.9775 -1.4124 -1.4123 -0.3340 -0.3339 -0.0029 -0.0028 0.0522 0.0527 0.1185 0.1189 5.6125 5.6125 6.4310 6.4310 7.6366 7.6367 8.1337 8.1338 k = 0.0000 0.5328 0.4370 ( 15474 PWs) bands (ev): -43.4691 -43.4691 -42.3522 -42.3522 -42.3500 -42.3500 -42.0819 -42.0819 -15.5205 -15.5205 -15.4338 -15.4338 -15.2908 -15.2908 -15.2814 -15.2814 -6.1278 -6.1278 -5.7481 -5.7481 -5.6904 -5.6904 -5.5945 -5.5945 -2.4549 -2.4549 -2.0277 -2.0277 -1.9776 -1.9776 -1.4122 -1.4122 -0.3334 -0.3334 -0.0022 -0.0022 0.0518 0.0518 0.1181 0.1181 5.6123 5.6123 6.4318 6.4318 7.6389 7.6389 8.1339 8.1339 k = 0.0000 0.5328 0.4370 ( 15474 PWs) bands (ev): -43.4691 -43.4691 -42.3522 -42.3522 -42.3500 -42.3500 -42.0819 -42.0819 -15.5205 -15.5205 -15.4338 -15.4338 -15.2908 -15.2908 -15.2814 -15.2814 -6.1278 -6.1278 -5.7481 -5.7481 -5.6904 -5.6904 -5.5945 -5.5945 -2.4549 -2.4549 -2.0277 -2.0277 -1.9776 -1.9776 -1.4122 -1.4122 -0.3334 -0.3334 -0.0022 -0.0022 0.0518 0.0518 0.1181 0.1181 5.6123 5.6123 6.4318 6.4318 7.6389 7.6389 8.1339 8.1339 k = 0.0078 0.5216 0.4507 ( 15482 PWs) bands (ev): -43.4691 -43.4691 -42.3522 -42.3522 -42.3500 -42.3500 -42.0819 -42.0819 -15.5205 -15.5205 -15.4337 -15.4337 -15.2909 -15.2909 -15.2814 -15.2814 -6.1293 -6.1292 -5.7468 -5.7467 -5.6921 -5.6920 -5.5929 -5.5929 -2.4551 -2.4550 -2.0288 -2.0283 -1.9771 -1.9766 -1.4124 -1.4124 -0.3353 -0.3350 -0.0105 -0.0098 0.0598 0.0603 0.1204 0.1205 5.6134 5.6134 6.4324 6.4324 7.6404 7.6404 8.1353 8.1353 k = 0.0156 0.5104 0.4643 ( 15486 PWs) bands (ev): -43.4691 -43.4691 -42.3522 -42.3522 -42.3500 -42.3500 -42.0820 -42.0820 -15.5202 -15.5202 -15.4336 -15.4336 -15.2913 -15.2913 -15.2814 -15.2814 -6.1336 -6.1335 -5.7428 -5.7427 -5.6967 -5.6966 -5.5886 -5.5885 -2.4558 -2.4555 -2.0315 -2.0304 -1.9751 -1.9741 -1.4131 -1.4129 -0.3407 -0.3402 -0.0273 -0.0263 0.0774 0.0779 0.1272 0.1274 5.6169 5.6169 6.4341 6.4342 7.6450 7.6451 8.1395 8.1395 k = 0.0234 0.4992 0.4780 ( 15494 PWs) bands (ev): -43.4691 -43.4691 -42.3522 -42.3522 -42.3500 -42.3500 -42.0820 -42.0820 -15.5197 -15.5197 -15.4333 -15.4333 -15.2919 -15.2919 -15.2814 -15.2814 -6.1404 -6.1403 -5.7365 -5.7363 -5.7036 -5.7034 -5.5822 -5.5821 -2.4569 -2.4565 -2.0353 -2.0339 -1.9719 -1.9707 -1.4142 -1.4139 -0.3491 -0.3484 -0.0464 -0.0452 0.0980 0.0984 0.1383 0.1386 5.6226 5.6227 6.4370 6.4371 7.6526 7.6527 8.1464 8.1465 k = 0.0312 0.4880 0.4917 ( 15492 PWs) bands (ev): -43.4691 -43.4691 -42.3521 -42.3521 -42.3500 -42.3500 -42.0820 -42.0820 -15.5191 -15.5191 -15.4329 -15.4329 -15.2927 -15.2927 -15.2813 -15.2813 -6.1495 -6.1494 -5.7287 -5.7285 -5.7114 -5.7112 -5.5743 -5.5742 -2.4583 -2.4578 -2.0399 -2.0382 -1.9680 -1.9665 -1.4157 -1.4153 -0.3602 -0.3592 -0.0660 -0.0647 0.1197 0.1201 0.1531 0.1534 5.6307 5.6308 6.4411 6.4412 7.6632 7.6633 8.1562 8.1563 k = 0.0391 0.4768 0.5053 ( 15494 PWs) bands (ev): -43.4691 -43.4691 -42.3521 -42.3521 -42.3500 -42.3500 -42.0821 -42.0821 -15.5183 -15.5183 -15.4324 -15.4324 -15.2937 -15.2937 -15.2813 -15.2813 -6.1606 -6.1604 -5.7262 -5.7259 -5.7133 -5.7129 -5.5655 -5.5654 -2.4602 -2.4595 -2.0450 -2.0432 -1.9635 -1.9619 -1.4176 -1.4171 -0.3733 -0.3721 -0.0854 -0.0840 0.1419 0.1422 0.1708 0.1712 5.6410 5.6411 6.4464 6.4465 7.6767 7.6768 8.1685 8.1686 k = 0.0469 0.4656 0.5190 ( 15486 PWs) bands (ev): -43.4691 -43.4691 -42.3520 -42.3520 -42.3500 -42.3500 -42.0821 -42.0821 -15.5173 -15.5173 -15.4318 -15.4318 -15.2949 -15.2949 -15.2814 -15.2813 -6.1732 -6.1730 -5.7347 -5.7346 -5.7031 -5.7029 -5.5562 -5.5560 -2.4623 -2.4615 -2.0506 -2.0486 -1.9588 -1.9570 -1.4199 -1.4194 -0.3878 -0.3865 -0.1043 -0.1029 0.1644 0.1647 0.1909 0.1913 5.6536 5.6537 6.4528 6.4530 7.6928 7.6930 8.1834 8.1835 k = 0.0547 0.4544 0.5326 ( 15496 PWs) bands (ev): -43.4691 -43.4691 -42.3520 -42.3520 -42.3500 -42.3500 -42.0822 -42.0822 -15.5161 -15.5161 -15.4311 -15.4311 -15.2962 -15.2962 -15.2814 -15.2814 -6.1870 -6.1867 -5.7453 -5.7452 -5.6904 -5.6901 -5.5466 -5.5464 -2.4648 -2.4639 -2.0564 -2.0543 -1.9538 -1.9520 -1.4225 -1.4220 -0.4034 -0.4018 -0.1228 -0.1212 0.1872 0.1875 0.2125 0.2130 5.6683 5.6684 6.4604 6.4606 7.7115 7.7117 8.2006 8.2008 k = 0.0625 0.4432 0.5463 ( 15486 PWs) bands (ev): -43.4691 -43.4691 -42.3519 -42.3519 -42.3500 -42.3500 -42.0823 -42.0823 -15.5148 -15.5148 -15.4303 -15.4303 -15.2977 -15.2977 -15.2815 -15.2815 -6.2017 -6.2014 -5.7564 -5.7564 -5.6766 -5.6763 -5.5368 -5.5367 -2.4676 -2.4666 -2.0624 -2.0602 -1.9488 -1.9469 -1.4256 -1.4249 -0.4195 -0.4177 -0.1405 -0.1389 0.2102 0.2107 0.2352 0.2357 5.6852 5.6853 6.4691 6.4693 7.7325 7.7327 8.2200 8.2203 k = 0.0703 0.4320 0.5599 ( 15494 PWs) bands (ev): -43.4691 -43.4691 -42.3518 -42.3518 -42.3500 -42.3500 -42.0824 -42.0824 -15.5134 -15.5134 -15.4294 -15.4294 -15.2994 -15.2994 -15.2817 -15.2817 -6.2170 -6.2168 -5.7678 -5.7678 -5.6623 -5.6620 -5.5271 -5.5269 -2.4706 -2.4695 -2.0684 -2.0662 -1.9438 -1.9418 -1.4290 -1.4283 -0.4357 -0.4339 -0.1576 -0.1559 0.2334 0.2339 0.2584 0.2590 5.7041 5.7042 6.4790 6.4792 7.7555 7.7558 8.2413 8.2416 k = 0.0781 0.4208 0.5736 ( 15494 PWs) bands (ev): -43.4691 -43.4691 -42.3517 -42.3517 -42.3500 -42.3500 -42.0824 -42.0824 -15.5118 -15.5118 -15.4283 -15.4283 -15.3012 -15.3012 -15.2819 -15.2819 -6.2327 -6.2325 -5.7792 -5.7792 -5.6476 -5.6473 -5.5174 -5.5172 -2.4739 -2.4727 -2.0745 -2.0723 -1.9388 -1.9367 -1.4327 -1.4320 -0.4519 -0.4499 -0.1738 -0.1721 0.2566 0.2572 0.2819 0.2825 5.7250 5.7252 6.4900 6.4902 7.7803 7.7807 8.2640 8.2644 k = 0.0859 0.4096 0.5873 ( 15482 PWs) bands (ev): -43.4691 -43.4691 -42.3516 -42.3516 -42.3500 -42.3500 -42.0825 -42.0825 -15.5100 -15.5100 -15.4272 -15.4272 -15.3032 -15.3031 -15.2822 -15.2822 -6.2486 -6.2484 -5.7906 -5.7906 -5.6329 -5.6326 -5.5078 -5.5076 -2.4773 -2.4761 -2.0807 -2.0784 -1.9339 -1.9317 -1.4368 -1.4360 -0.4678 -0.4657 -0.1894 -0.1875 0.2797 0.2804 0.3055 0.3061 5.7479 5.7480 6.5022 6.5024 7.8065 7.8069 8.2876 8.2880 k = 0.0938 0.3984 0.6009 ( 15482 PWs) bands (ev): -43.4691 -43.4691 -42.3515 -42.3515 -42.3500 -42.3500 -42.0826 -42.0826 -15.5082 -15.5082 -15.4261 -15.4260 -15.3052 -15.3052 -15.2825 -15.2825 -6.2646 -6.2643 -5.8019 -5.8018 -5.6184 -5.6181 -5.4983 -5.4982 -2.4809 -2.4797 -2.0868 -2.0844 -1.9291 -1.9268 -1.4412 -1.4403 -0.4832 -0.4809 -0.2041 -0.2022 0.3025 0.3033 0.3289 0.3296 5.7725 5.7727 6.5154 6.5157 7.8335 7.8339 8.3112 8.3117 k = 0.1016 0.3872 0.6146 ( 15492 PWs) bands (ev): -43.4691 -43.4691 -42.3514 -42.3514 -42.3500 -42.3500 -42.0827 -42.0827 -15.5063 -15.5063 -15.4248 -15.4248 -15.3074 -15.3074 -15.2828 -15.2828 -6.2804 -6.2801 -5.8129 -5.8129 -5.6041 -5.6038 -5.4890 -5.4888 -2.4846 -2.4834 -2.0928 -2.0905 -1.9243 -1.9221 -1.4458 -1.4449 -0.4980 -0.4955 -0.2180 -0.2161 0.3249 0.3258 0.3520 0.3528 5.7988 5.7990 6.5297 6.5300 7.8608 7.8612 8.3333 8.3340 k = 0.1094 0.3760 0.6282 ( 15482 PWs) bands (ev): -43.4691 -43.4691 -42.3513 -42.3513 -42.3500 -42.3500 -42.0829 -42.0829 -15.5042 -15.5042 -15.4234 -15.4234 -15.3097 -15.3097 -15.2832 -15.2832 -6.2959 -6.2957 -5.8237 -5.8237 -5.5903 -5.5900 -5.4798 -5.4796 -2.4885 -2.4872 -2.0987 -2.0964 -1.9198 -1.9174 -1.4507 -1.4497 -0.5120 -0.5094 -0.2311 -0.2291 0.3467 0.3477 0.3747 0.3755 5.8266 5.8268 6.5452 6.5455 7.8875 7.8881 8.3519 8.3528 k = 0.1172 0.3648 0.6419 ( 15486 PWs) bands (ev): -43.4691 -43.4691 -42.3512 -42.3512 -42.3500 -42.3500 -42.0830 -42.0830 -15.5021 -15.5021 -15.4220 -15.4220 -15.3121 -15.3121 -15.2837 -15.2836 -6.3111 -6.3109 -5.8343 -5.8342 -5.5771 -5.5768 -5.4708 -5.4706 -2.4923 -2.4910 -2.1045 -2.1022 -1.9153 -1.9129 -1.4557 -1.4548 -0.5252 -0.5225 -0.2434 -0.2414 0.3679 0.3689 0.3968 0.3976 5.8557 5.8559 6.5617 6.5620 7.9127 7.9133 8.3638 8.3650 k = 0.1250 0.3536 0.6555 ( 15486 PWs) bands (ev): -43.4691 -43.4691 -42.3511 -42.3511 -42.3500 -42.3500 -42.0831 -42.0831 -15.5000 -15.5000 -15.4205 -15.4205 -15.3146 -15.3145 -15.2841 -15.2841 -6.3258 -6.3256 -5.8444 -5.8444 -5.5645 -5.5642 -5.4620 -5.4618 -2.4962 -2.4949 -2.1102 -2.1078 -1.9110 -1.9085 -1.4609 -1.4599 -0.5376 -0.5348 -0.2549 -0.2528 0.3884 0.3894 0.4182 0.4190 5.8860 5.8862 6.5793 6.5796 7.9349 7.9355 8.3659 8.3673 k = 0.1328 0.3424 0.6692 ( 15484 PWs) bands (ev): -43.4691 -43.4691 -42.3510 -42.3510 -42.3500 -42.3500 -42.0832 -42.0832 -15.4978 -15.4978 -15.4189 -15.4189 -15.3171 -15.3171 -15.2846 -15.2846 -6.3400 -6.3398 -5.8542 -5.8542 -5.5526 -5.5523 -5.4534 -5.4531 -2.5000 -2.4988 -2.1157 -2.1133 -1.9069 -1.9043 -1.4662 -1.4652 -0.5491 -0.5461 -0.2657 -0.2635 0.4080 0.4090 0.4388 0.4396 5.9172 5.9174 6.5980 6.5983 7.9522 7.9528 8.3575 8.3590 k = 0.1406 0.3312 0.6829 ( 15486 PWs) bands (ev): -43.4691 -43.4691 -42.3509 -42.3509 -42.3500 -42.3500 -42.0833 -42.0833 -15.4956 -15.4956 -15.4173 -15.4173 -15.3197 -15.3197 -15.2850 -15.2850 -6.3536 -6.3534 -5.8636 -5.8636 -5.5416 -5.5413 -5.4450 -5.4447 -2.5038 -2.5025 -2.1209 -2.1186 -1.9030 -1.9003 -1.4716 -1.4706 -0.5596 -0.5566 -0.2756 -0.2734 0.4267 0.4277 0.4584 0.4593 5.9489 5.9491 6.6178 6.6182 7.9619 7.9626 8.3425 8.3439 k = 0.1484 0.3200 0.6965 ( 15484 PWs) bands (ev): -43.4691 -43.4691 -42.3508 -42.3508 -42.3500 -42.3500 -42.0834 -42.0834 -15.4934 -15.4934 -15.4156 -15.4156 -15.3224 -15.3224 -15.2855 -15.2855 -6.3665 -6.3663 -5.8725 -5.8724 -5.5314 -5.5311 -5.4368 -5.4366 -2.5074 -2.5063 -2.1260 -2.1236 -1.8993 -1.8965 -1.4769 -1.4759 -0.5693 -0.5662 -0.2847 -0.2824 0.4443 0.4453 0.4771 0.4780 5.9810 5.9812 6.6388 6.6392 7.9613 7.9619 8.3272 8.3285 k = 0.1562 0.3088 0.7102 ( 15486 PWs) bands (ev): -43.4691 -43.4691 -42.3507 -42.3507 -42.3500 -42.3500 -42.0835 -42.0835 -15.4913 -15.4913 -15.4139 -15.4139 -15.3251 -15.3251 -15.2860 -15.2860 -6.3786 -6.3785 -5.8808 -5.8808 -5.5220 -5.5218 -5.4289 -5.4287 -2.5110 -2.5098 -2.1307 -2.1284 -1.8957 -1.8929 -1.4822 -1.4812 -0.5781 -0.5749 -0.2931 -0.2908 0.4609 0.4619 0.4947 0.4956 6.0130 6.0132 6.6610 6.6613 7.9482 7.9487 8.3170 8.3180 k = 0.1641 0.2976 0.7238 ( 15486 PWs) bands (ev): -43.4691 -43.4691 -42.3506 -42.3506 -42.3500 -42.3500 -42.0836 -42.0836 -15.4892 -15.4892 -15.4121 -15.4121 -15.3278 -15.3278 -15.2865 -15.2865 -6.3900 -6.3898 -5.8887 -5.8886 -5.5136 -5.5133 -5.4214 -5.4211 -2.5143 -2.5133 -2.1352 -2.1329 -1.8924 -1.8895 -1.4873 -1.4863 -0.5860 -0.5827 -0.3007 -0.2983 0.4764 0.4774 0.5112 0.5120 6.0446 6.0448 6.6843 6.6847 7.9225 7.9230 8.3141 8.3149 k = 0.1719 0.2864 0.7375 ( 15490 PWs) bands (ev): -43.4691 -43.4691 -42.3505 -42.3505 -42.3500 -42.3500 -42.0837 -42.0837 -15.4871 -15.4871 -15.4104 -15.4104 -15.3305 -15.3305 -15.2870 -15.2870 -6.4005 -6.4004 -5.8959 -5.8959 -5.5060 -5.5057 -5.4142 -5.4140 -2.5175 -2.5165 -2.1394 -2.1370 -1.8893 -1.8863 -1.4922 -1.4913 -0.5931 -0.5898 -0.3075 -0.3052 0.4908 0.4917 0.5264 0.5272 6.0753 6.0755 6.7089 6.7093 7.8864 7.8868 8.3179 8.3185 k = 0.1797 0.2752 0.7511 ( 15492 PWs) bands (ev): -43.4691 -43.4691 -42.3504 -42.3504 -42.3500 -42.3500 -42.0838 -42.0838 -15.4852 -15.4852 -15.4086 -15.4086 -15.3332 -15.3332 -15.2874 -15.2874 -6.4102 -6.4100 -5.9026 -5.9026 -5.4992 -5.4990 -5.4076 -5.4073 -2.5205 -2.5195 -2.1432 -2.1409 -1.8865 -1.8834 -1.4969 -1.4961 -0.5994 -0.5960 -0.3137 -0.3113 0.5039 0.5048 0.5403 0.5411 6.1048 6.1050 6.7347 6.7350 7.8429 7.8433 8.3263 8.3267 k = 0.1875 0.2640 0.7648 ( 15484 PWs) bands (ev): -43.4691 -43.4691 -42.3504 -42.3504 -42.3500 -42.3500 -42.0839 -42.0839 -15.4834 -15.4834 -15.4068 -15.4068 -15.3358 -15.3358 -15.2879 -15.2878 -6.4189 -6.4187 -5.9086 -5.9086 -5.4933 -5.4930 -5.4014 -5.4011 -2.5232 -2.5223 -2.1467 -2.1444 -1.8839 -1.8807 -1.5013 -1.5005 -0.6050 -0.6015 -0.3191 -0.3167 0.5157 0.5166 0.5529 0.5537 6.1325 6.1327 6.7615 6.7619 7.7951 7.7954 8.3370 8.3373 k = 0.1953 0.2528 0.7785 ( 15478 PWs) bands (ev): -43.4691 -43.4691 -42.3503 -42.3503 -42.3500 -42.3500 -42.0840 -42.0840 -15.4818 -15.4818 -15.4051 -15.4051 -15.3382 -15.3382 -15.2883 -15.2882 -6.4266 -6.4265 -5.9140 -5.9139 -5.4882 -5.4879 -5.3957 -5.3954 -2.5256 -2.5249 -2.1498 -2.1475 -1.8816 -1.8783 -1.5054 -1.5046 -0.6097 -0.6062 -0.3239 -0.3215 0.5262 0.5272 0.5641 0.5649 6.1581 6.1582 6.7892 6.7896 7.7454 7.7457 8.3485 8.3486 k = 0.2031 0.2416 0.7921 ( 15470 PWs) bands (ev): -43.4691 -43.4691 -42.3502 -42.3502 -42.3500 -42.3500 -42.0840 -42.0840 -15.4803 -15.4803 -15.4035 -15.4035 -15.3406 -15.3406 -15.2886 -15.2886 -6.4334 -6.4333 -5.9187 -5.9186 -5.4838 -5.4835 -5.3908 -5.3905 -2.5278 -2.5271 -2.1526 -2.1502 -1.8795 -1.8762 -1.5090 -1.5082 -0.6138 -0.6102 -0.3280 -0.3255 0.5354 0.5363 0.5739 0.5746 6.1811 6.1812 6.8173 6.8177 7.6959 7.6962 8.3596 8.3597 k = 0.2109 0.2304 0.8058 ( 15478 PWs) bands (ev): -43.4691 -43.4691 -42.3502 -42.3502 -42.3500 -42.3500 -42.0841 -42.0841 -15.4790 -15.4790 -15.4020 -15.4020 -15.3427 -15.3427 -15.2889 -15.2889 -6.4392 -6.4391 -5.9227 -5.9227 -5.4801 -5.4798 -5.3865 -5.3861 -2.5297 -2.5290 -2.1549 -2.1526 -1.8777 -1.8743 -1.5121 -1.5114 -0.6172 -0.6136 -0.3314 -0.3289 0.5432 0.5442 0.5822 0.5830 6.2011 6.2013 6.8452 6.8456 7.6484 7.6487 8.3696 8.3697 k = 0.2188 0.2192 0.8194 ( 15474 PWs) bands (ev): -43.4691 -43.4691 -42.3502 -42.3502 -42.3500 -42.3500 -42.0841 -42.0841 -15.4779 -15.4779 -15.4006 -15.4006 -15.3446 -15.3446 -15.2892 -15.2892 -6.4439 -6.4438 -5.9260 -5.9260 -5.4772 -5.4769 -5.3829 -5.3826 -2.5312 -2.5306 -2.1568 -2.1545 -1.8763 -1.8728 -1.5147 -1.5141 -0.6199 -0.6163 -0.3342 -0.3317 0.5497 0.5506 0.5890 0.5898 6.2179 6.2181 6.8719 6.8722 7.6049 7.6052 8.3781 8.3782 k = 0.2266 0.2080 0.8331 ( 15474 PWs) bands (ev): -43.4691 -43.4691 -42.3501 -42.3501 -42.3500 -42.3500 -42.0842 -42.0842 -15.4770 -15.4770 -15.3995 -15.3995 -15.3461 -15.3461 -15.2894 -15.2894 -6.4476 -6.4476 -5.9286 -5.9285 -5.4749 -5.4746 -5.3800 -5.3797 -2.5324 -2.5319 -2.1583 -2.1560 -1.8751 -1.8716 -1.5168 -1.5162 -0.6220 -0.6183 -0.3363 -0.3338 0.5547 0.5556 0.5944 0.5951 6.2312 6.2314 6.8958 6.8961 7.5674 7.5676 8.3849 8.3850 k = 0.2344 0.1968 0.8467 ( 15478 PWs) bands (ev): -43.4691 -43.4691 -42.3501 -42.3501 -42.3499 -42.3499 -42.0842 -42.0842 -15.4764 -15.4764 -15.3986 -15.3986 -15.3473 -15.3473 -15.2895 -15.2895 -6.4503 -6.4502 -5.9304 -5.9304 -5.4733 -5.4730 -5.3780 -5.3777 -2.5333 -2.5328 -2.1594 -2.1571 -1.8743 -1.8708 -1.5183 -1.5178 -0.6235 -0.6198 -0.3379 -0.3354 0.5583 0.5592 0.5982 0.5990 6.2409 6.2410 6.9151 6.9155 7.5381 7.5383 8.3898 8.3900 k = 0.2422 0.1856 0.8604 ( 15486 PWs) bands (ev): -43.4691 -43.4691 -42.3501 -42.3501 -42.3499 -42.3499 -42.0842 -42.0842 -15.4760 -15.4760 -15.3981 -15.3981 -15.3480 -15.3480 -15.2896 -15.2896 -6.4519 -6.4518 -5.9315 -5.9315 -5.4723 -5.4720 -5.3768 -5.3765 -2.5338 -2.5334 -2.1601 -2.1577 -1.8738 -1.8703 -1.5192 -1.5187 -0.6244 -0.6207 -0.3388 -0.3363 0.5605 0.5614 0.6005 0.6013 6.2467 6.2468 6.9278 6.9282 7.5192 7.5194 8.3928 8.3930 k = 0.2500 0.1744 0.8741 ( 15476 PWs) bands (ev): -43.4691 -43.4691 -42.3501 -42.3501 -42.3499 -42.3499 -42.0842 -42.0842 -15.4759 -15.4759 -15.3979 -15.3979 -15.3482 -15.3482 -15.2897 -15.2896 -6.4524 -6.4524 -5.9319 -5.9319 -5.4720 -5.4717 -5.3764 -5.3760 -2.5339 -2.5336 -2.1603 -2.1580 -1.8736 -1.8701 -1.5195 -1.5190 -0.6247 -0.6210 -0.3391 -0.3366 0.5612 0.5621 0.6013 0.6020 6.2486 6.2488 6.9323 6.9327 7.5127 7.5129 8.3938 8.3940 k = 0.2500 0.1744 0.8741 ( 15476 PWs) bands (ev): -43.4691 -43.4691 -42.3501 -42.3501 -42.3499 -42.3499 -42.0842 -42.0842 -15.4759 -15.4759 -15.3979 -15.3979 -15.3482 -15.3482 -15.2897 -15.2896 -6.4524 -6.4524 -5.9319 -5.9319 -5.4720 -5.4717 -5.3764 -5.3760 -2.5339 -2.5336 -2.1603 -2.1580 -1.8736 -1.8701 -1.5195 -1.5190 -0.6247 -0.6210 -0.3391 -0.3366 0.5612 0.5621 0.6013 0.6020 6.2486 6.2488 6.9323 6.9327 7.5127 7.5129 8.3938 8.3940 k = 0.2632 0.1835 0.8629 ( 15480 PWs) bands (ev): -43.4691 -43.4691 -42.3501 -42.3501 -42.3499 -42.3499 -42.0842 -42.0842 -15.4759 -15.4759 -15.3980 -15.3980 -15.3481 -15.3481 -15.2896 -15.2896 -6.4523 -6.4522 -5.9317 -5.9317 -5.4721 -5.4718 -5.3765 -5.3761 -2.5339 -2.5335 -2.1605 -2.1582 -1.8732 -1.8696 -1.5194 -1.5189 -0.6257 -0.6220 -0.3382 -0.3357 0.5610 0.5618 0.6011 0.6018 6.2479 6.2480 6.9307 6.9310 7.5149 7.5151 8.3947 8.3949 k = 0.2763 0.1927 0.8517 ( 15476 PWs) bands (ev): -43.4691 -43.4691 -42.3501 -42.3501 -42.3499 -42.3499 -42.0842 -42.0842 -15.4760 -15.4760 -15.3982 -15.3982 -15.3479 -15.3479 -15.2896 -15.2896 -6.4518 -6.4518 -5.9313 -5.9312 -5.4726 -5.4723 -5.3767 -5.3764 -2.5339 -2.5335 -2.1611 -2.1589 -1.8717 -1.8682 -1.5191 -1.5185 -0.6284 -0.6248 -0.3354 -0.3330 0.5602 0.5610 0.6004 0.6011 6.2460 6.2461 6.9255 6.9259 7.5213 7.5215 8.3977 8.3978 k = 0.2895 0.2019 0.8405 ( 15475 PWs) bands (ev): -43.4691 -43.4691 -42.3501 -42.3501 -42.3499 -42.3499 -42.0842 -42.0842 -15.4761 -15.4761 -15.3985 -15.3985 -15.3476 -15.3475 -15.2896 -15.2896 -6.4510 -6.4510 -5.9305 -5.9304 -5.4733 -5.4730 -5.3772 -5.3769 -2.5338 -2.5333 -2.1622 -2.1600 -1.8693 -1.8659 -1.5185 -1.5180 -0.6329 -0.6294 -0.3309 -0.3286 0.5588 0.5596 0.5993 0.6000 6.2432 6.2433 6.9166 6.9169 7.5316 7.5319 8.4027 8.4029 k = 0.3026 0.2111 0.8293 ( 15475 PWs) bands (ev): -43.4691 -43.4691 -42.3501 -42.3501 -42.3499 -42.3499 -42.0842 -42.0842 -15.4762 -15.4762 -15.3990 -15.3990 -15.3471 -15.3471 -15.2896 -15.2896 -6.4499 -6.4499 -5.9294 -5.9294 -5.4744 -5.4741 -5.3778 -5.3775 -2.5336 -2.5332 -2.1635 -2.1615 -1.8659 -1.8627 -1.5178 -1.5173 -0.6388 -0.6355 -0.3249 -0.3228 0.5567 0.5576 0.5979 0.5985 6.2398 6.2399 6.9039 6.9043 7.5454 7.5456 8.4098 8.4100 k = 0.3158 0.2202 0.8181 ( 15490 PWs) bands (ev): -43.4691 -43.4691 -42.3502 -42.3502 -42.3499 -42.3499 -42.0842 -42.0842 -15.4763 -15.4763 -15.3996 -15.3996 -15.3465 -15.3465 -15.2896 -15.2896 -6.4485 -6.4485 -5.9280 -5.9280 -5.4758 -5.4755 -5.3784 -5.3781 -2.5334 -2.5329 -2.1652 -2.1632 -1.8618 -1.8587 -1.5170 -1.5165 -0.6458 -0.6427 -0.3178 -0.3158 0.5540 0.5547 0.5962 0.5969 6.2362 6.2363 6.8877 6.8880 7.5617 7.5621 8.4191 8.4193 k = 0.3289 0.2294 0.8069 ( 15484 PWs) bands (ev): -43.4691 -43.4691 -42.3502 -42.3502 -42.3499 -42.3499 -42.0842 -42.0842 -15.4763 -15.4763 -15.4004 -15.4004 -15.3459 -15.3459 -15.2896 -15.2896 -6.4468 -6.4467 -5.9263 -5.9263 -5.4775 -5.4772 -5.3792 -5.3789 -2.5332 -2.5327 -2.1670 -2.1652 -1.8570 -1.8541 -1.5161 -1.5156 -0.6535 -0.6507 -0.3097 -0.3080 0.5504 0.5511 0.5944 0.5950 6.2326 6.2327 6.8682 6.8686 7.5800 7.5804 8.4303 8.4305 k = 0.3421 0.2386 0.7957 ( 15486 PWs) bands (ev): -43.4691 -43.4691 -42.3502 -42.3502 -42.3499 -42.3499 -42.0841 -42.0841 -15.4762 -15.4762 -15.4013 -15.4013 -15.3452 -15.3452 -15.2896 -15.2896 -6.4447 -6.4446 -5.9244 -5.9244 -5.4796 -5.4793 -5.3800 -5.3798 -2.5329 -2.5323 -2.1690 -2.1672 -1.8516 -1.8489 -1.5152 -1.5146 -0.6617 -0.6591 -0.3011 -0.2995 0.5460 0.5466 0.5925 0.5931 6.2291 6.2293 6.8459 6.8462 7.5994 7.5998 8.4432 8.4435 k = 0.3553 0.2478 0.7846 ( 15487 PWs) bands (ev): -43.4691 -43.4691 -42.3502 -42.3502 -42.3499 -42.3499 -42.0841 -42.0841 -15.4761 -15.4761 -15.4024 -15.4024 -15.3444 -15.3444 -15.2897 -15.2897 -6.4423 -6.4422 -5.9223 -5.9223 -5.4820 -5.4818 -5.3809 -5.3806 -2.5325 -2.5318 -2.1709 -2.1693 -1.8458 -1.8433 -1.5143 -1.5137 -0.6700 -0.6676 -0.2921 -0.2907 0.5406 0.5412 0.5906 0.5911 6.2261 6.2262 6.8210 6.8213 7.6192 7.6196 8.4576 8.4579 k = 0.3684 0.2569 0.7734 ( 15481 PWs) bands (ev): -43.4691 -43.4691 -42.3503 -42.3503 -42.3499 -42.3499 -42.0841 -42.0841 -15.4758 -15.4758 -15.4036 -15.4036 -15.3436 -15.3436 -15.2898 -15.2898 -6.4396 -6.4395 -5.9199 -5.9199 -5.4848 -5.4846 -5.3818 -5.3816 -2.5320 -2.5313 -2.1728 -2.1713 -1.8397 -1.8374 -1.5134 -1.5128 -0.6781 -0.6759 -0.2830 -0.2817 0.5344 0.5350 0.5887 0.5890 6.2235 6.2237 6.7938 6.7942 7.6387 7.6392 8.4727 8.4732 k = 0.3816 0.2661 0.7622 ( 15471 PWs) bands (ev): -43.4691 -43.4691 -42.3503 -42.3503 -42.3499 -42.3499 -42.0840 -42.0840 -15.4754 -15.4754 -15.4049 -15.4049 -15.3428 -15.3428 -15.2900 -15.2900 -6.4365 -6.4364 -5.9173 -5.9173 -5.4879 -5.4877 -5.3827 -5.3826 -2.5314 -2.5306 -2.1745 -2.1732 -1.8336 -1.8315 -1.5125 -1.5119 -0.6857 -0.6837 -0.2739 -0.2728 0.5274 0.5278 0.5867 0.5870 6.2216 6.2218 6.7647 6.7650 7.6573 7.6578 8.4878 8.4883 k = 0.3947 0.2753 0.7510 ( 15475 PWs) bands (ev): -43.4691 -43.4691 -42.3504 -42.3504 -42.3499 -42.3499 -42.0840 -42.0840 -15.4749 -15.4749 -15.4064 -15.4064 -15.3420 -15.3420 -15.2901 -15.2901 -6.4331 -6.4330 -5.9145 -5.9145 -5.4913 -5.4911 -5.3838 -5.3836 -2.5307 -2.5298 -2.1760 -2.1747 -1.8275 -1.8257 -1.5118 -1.5111 -0.6925 -0.6908 -0.2651 -0.2641 0.5195 0.5198 0.5847 0.5849 6.2204 6.2207 6.7338 6.7341 7.6746 7.6752 8.5015 8.5022 k = 0.4079 0.2845 0.7398 ( 15472 PWs) bands (ev): -43.4691 -43.4691 -42.3504 -42.3504 -42.3499 -42.3499 -42.0840 -42.0840 -15.4743 -15.4743 -15.4080 -15.4080 -15.3411 -15.3411 -15.2903 -15.2903 -6.4293 -6.4292 -5.9115 -5.9115 -5.4950 -5.4949 -5.3848 -5.3847 -2.5298 -2.5289 -2.1772 -2.1760 -1.8216 -1.8200 -1.5111 -1.5104 -0.6985 -0.6969 -0.2566 -0.2558 0.5108 0.5111 0.5826 0.5828 6.2200 6.2203 6.7014 6.7017 7.6903 7.6909 8.5122 8.5130 k = 0.4211 0.2937 0.7286 ( 15472 PWs) bands (ev): -43.4691 -43.4691 -42.3505 -42.3505 -42.3498 -42.3498 -42.0839 -42.0839 -15.4736 -15.4736 -15.4098 -15.4098 -15.3402 -15.3402 -15.2905 -15.2905 -6.4253 -6.4252 -5.9083 -5.9083 -5.4991 -5.4990 -5.3859 -5.3858 -2.5288 -2.5279 -2.1780 -2.1768 -1.8161 -1.8148 -1.5106 -1.5098 -0.7033 -0.7019 -0.2486 -0.2479 0.5013 0.5016 0.5804 0.5806 6.2203 6.2206 6.6676 6.6679 7.7040 7.7046 8.5179 8.5188 k = 0.4342 0.3028 0.7174 ( 15472 PWs) bands (ev): -43.4691 -43.4691 -42.3506 -42.3506 -42.3498 -42.3498 -42.0839 -42.0839 -15.4729 -15.4728 -15.4116 -15.4116 -15.3393 -15.3393 -15.2908 -15.2908 -6.4209 -6.4208 -5.9049 -5.9049 -5.5035 -5.5033 -5.3871 -5.3870 -2.5277 -2.5267 -2.1784 -2.1773 -1.8111 -1.8100 -1.5101 -1.5093 -0.7068 -0.7057 -0.2410 -0.2404 0.4912 0.4914 0.5782 0.5784 6.2213 6.2216 6.6327 6.6330 7.7156 7.7162 8.5172 8.5182 k = 0.4474 0.3120 0.7062 ( 15474 PWs) bands (ev): -43.4691 -43.4691 -42.3506 -42.3506 -42.3498 -42.3498 -42.0838 -42.0838 -15.4720 -15.4720 -15.4136 -15.4136 -15.3384 -15.3384 -15.2910 -15.2910 -6.4163 -6.4162 -5.9013 -5.9013 -5.5081 -5.5079 -5.3883 -5.3882 -2.5265 -2.5254 -2.1783 -2.1772 -1.8068 -1.8059 -1.5097 -1.5088 -0.7091 -0.7080 -0.2340 -0.2335 0.4804 0.4806 0.5759 0.5761 6.2228 6.2230 6.5970 6.5973 7.7249 7.7256 8.5098 8.5107 k = 0.4605 0.3212 0.6951 ( 15474 PWs) bands (ev): -43.4691 -43.4691 -42.3507 -42.3507 -42.3498 -42.3498 -42.0838 -42.0838 -15.4712 -15.4712 -15.4156 -15.4156 -15.3374 -15.3374 -15.2912 -15.2912 -6.4114 -6.4113 -5.8975 -5.8975 -5.5130 -5.5128 -5.3896 -5.3896 -2.5251 -2.5239 -2.1777 -2.1767 -1.8032 -1.8025 -1.5094 -1.5084 -0.7099 -0.7090 -0.2276 -0.2271 0.4690 0.4692 0.5735 0.5736 6.2244 6.2248 6.5608 6.5611 7.7319 7.7325 8.4961 8.4971 k = 0.4737 0.3304 0.6839 ( 15476 PWs) bands (ev): -43.4691 -43.4691 -42.3508 -42.3508 -42.3498 -42.3498 -42.0837 -42.0837 -15.4705 -15.4704 -15.4176 -15.4176 -15.3364 -15.3364 -15.2914 -15.2914 -6.4063 -6.4062 -5.8935 -5.8935 -5.5181 -5.5180 -5.3910 -5.3910 -2.5236 -2.5223 -2.1767 -2.1756 -1.8004 -1.7999 -1.5091 -1.5081 -0.7092 -0.7084 -0.2217 -0.2213 0.4571 0.4573 0.5710 0.5711 6.2259 6.2262 6.5247 6.5249 7.7365 7.7372 8.4775 8.4784 k = 0.4868 0.3395 0.6727 ( 15482 PWs) bands (ev): -43.4691 -43.4691 -42.3509 -42.3509 -42.3497 -42.3497 -42.0836 -42.0836 -15.4698 -15.4698 -15.4196 -15.4196 -15.3354 -15.3354 -15.2915 -15.2915 -6.4009 -6.4008 -5.8894 -5.8893 -5.5235 -5.5234 -5.3925 -5.3924 -2.5219 -2.5206 -2.1751 -2.1739 -1.7986 -1.7982 -1.5087 -1.5076 -0.7072 -0.7064 -0.2164 -0.2160 0.4446 0.4448 0.5684 0.5686 6.2262 6.2266 6.4894 6.4897 7.7388 7.7395 8.4550 8.4559 k = 0.5000 0.3487 0.6615 ( 15484 PWs) bands (ev): -43.4691 -43.4691 -42.3509 -42.3509 -42.3497 -42.3497 -42.0836 -42.0836 -15.4695 -15.4695 -15.4214 -15.4214 -15.3343 -15.3343 -15.2916 -15.2916 -6.3954 -6.3953 -5.8850 -5.8849 -5.5292 -5.5290 -5.3941 -5.3940 -2.5201 -2.5188 -2.1729 -2.1717 -1.7978 -1.7974 -1.5083 -1.5072 -0.7037 -0.7030 -0.2116 -0.2112 0.4317 0.4319 0.5657 0.5659 6.2241 6.2245 6.4565 6.4567 7.7389 7.7395 8.4297 8.4306 k = 0.5000 0.3487 0.6615 ( 15484 PWs) bands (ev): -43.4691 -43.4691 -42.3509 -42.3509 -42.3497 -42.3497 -42.0836 -42.0836 -15.4695 -15.4695 -15.4214 -15.4214 -15.3343 -15.3343 -15.2916 -15.2916 -6.3954 -6.3953 -5.8850 -5.8849 -5.5292 -5.5290 -5.3941 -5.3940 -2.5201 -2.5188 -2.1729 -2.1717 -1.7978 -1.7974 -1.5083 -1.5072 -0.7037 -0.7030 -0.2116 -0.2112 0.4317 0.4319 0.5657 0.5659 6.2241 6.2245 6.4565 6.4567 7.7389 7.7395 8.4297 8.4306 k = 0.5000 0.3487 0.6420 ( 15496 PWs) bands (ev): -43.4691 -43.4691 -42.3511 -42.3511 -42.3497 -42.3497 -42.0835 -42.0835 -15.4694 -15.4694 -15.4242 -15.4242 -15.3324 -15.3324 -15.2918 -15.2917 -6.3854 -6.3853 -5.8767 -5.8767 -5.5396 -5.5395 -5.3969 -5.3968 -2.5169 -2.5154 -2.1684 -2.1672 -1.7972 -1.7967 -1.5075 -1.5063 -0.6963 -0.6955 -0.2032 -0.2028 0.4083 0.4084 0.5609 0.5611 6.2145 6.2148 6.4046 6.4049 7.7319 7.7325 8.3824 8.3831 k = 0.5000 0.3487 0.6226 ( 15496 PWs) bands (ev): -43.4691 -43.4691 -42.3512 -42.3512 -42.3497 -42.3497 -42.0834 -42.0834 -15.4699 -15.4699 -15.4266 -15.4266 -15.3304 -15.3304 -15.2918 -15.2918 -6.3752 -6.3751 -5.8677 -5.8676 -5.5509 -5.5507 -5.3996 -5.3996 -2.5135 -2.5119 -2.1635 -2.1622 -1.7965 -1.7960 -1.5069 -1.5057 -0.6884 -0.6876 -0.1939 -0.1935 0.3837 0.3839 0.5559 0.5560 6.1967 6.1970 6.3601 6.3604 7.7149 7.7154 8.3327 8.3334 k = 0.5000 0.3487 0.6031 ( 15496 PWs) bands (ev): -43.4691 -43.4691 -42.3514 -42.3514 -42.3496 -42.3496 -42.0832 -42.0832 -15.4710 -15.4709 -15.4285 -15.4285 -15.3284 -15.3284 -15.2917 -15.2917 -6.3649 -6.3648 -5.8577 -5.8577 -5.5628 -5.5627 -5.4023 -5.4023 -2.5100 -2.5084 -2.1580 -2.1567 -1.7957 -1.7952 -1.5065 -1.5052 -0.6802 -0.6792 -0.1837 -0.1833 0.3584 0.3586 0.5506 0.5508 6.1667 6.1670 6.3271 6.3274 7.6880 7.6885 8.2808 8.2813 k = 0.5000 0.3487 0.5837 ( 15496 PWs) bands (ev): -43.4691 -43.4691 -42.3516 -42.3516 -42.3496 -42.3496 -42.0831 -42.0831 -15.4728 -15.4728 -15.4298 -15.4298 -15.3264 -15.3264 -15.2915 -15.2915 -6.3546 -6.3545 -5.8470 -5.8469 -5.5754 -5.5752 -5.4049 -5.4049 -2.5065 -2.5048 -2.1521 -2.1506 -1.7948 -1.7943 -1.5064 -1.5050 -0.6715 -0.6705 -0.1725 -0.1721 0.3325 0.3327 0.5452 0.5454 6.1241 6.1245 6.3061 6.3065 7.6522 7.6526 8.2268 8.2272 k = 0.5000 0.3487 0.5642 ( 15496 PWs) bands (ev): -43.4691 -43.4691 -42.3518 -42.3518 -42.3495 -42.3495 -42.0829 -42.0829 -15.4754 -15.4754 -15.4306 -15.4306 -15.3244 -15.3244 -15.2912 -15.2912 -6.3445 -6.3444 -5.8353 -5.8352 -5.5885 -5.5883 -5.4074 -5.4074 -2.5030 -2.5012 -2.1455 -2.1441 -1.7939 -1.7934 -1.5065 -1.5051 -0.6626 -0.6616 -0.1604 -0.1600 0.3063 0.3066 0.5396 0.5399 6.0728 6.0731 6.2935 6.2939 7.6085 7.6088 8.1708 8.1712 k = 0.5000 0.3487 0.5448 ( 15500 PWs) bands (ev): -43.4691 -43.4691 -42.3520 -42.3520 -42.3495 -42.3495 -42.0828 -42.0828 -15.4787 -15.4786 -15.4308 -15.4308 -15.3223 -15.3223 -15.2907 -15.2907 -6.3347 -6.3346 -5.8228 -5.8227 -5.6019 -5.6017 -5.4099 -5.4098 -2.4995 -2.4977 -2.1384 -2.1369 -1.7929 -1.7923 -1.5071 -1.5056 -0.6536 -0.6525 -0.1475 -0.1471 0.2803 0.2805 0.5339 0.5341 6.0165 6.0168 6.2855 6.2859 7.5582 7.5585 8.1131 8.1134 k = 0.5000 0.3487 0.5253 ( 15488 PWs) bands (ev): -43.4691 -43.4691 -42.3521 -42.3521 -42.3494 -42.3494 -42.0827 -42.0827 -15.4825 -15.4825 -15.4307 -15.4307 -15.3202 -15.3202 -15.2901 -15.2901 -6.3254 -6.3253 -5.8095 -5.8093 -5.6156 -5.6154 -5.4123 -5.4122 -2.4961 -2.4943 -2.1306 -2.1291 -1.7918 -1.7912 -1.5080 -1.5065 -0.6444 -0.6433 -0.1338 -0.1334 0.2546 0.2548 0.5281 0.5283 5.9579 5.9582 6.2796 6.2800 7.5025 7.5027 8.0538 8.0541 k = 0.5000 0.3487 0.5058 ( 15490 PWs) bands (ev): -43.4691 -43.4691 -42.3524 -42.3524 -42.3494 -42.3494 -42.0825 -42.0825 -15.4868 -15.4868 -15.4303 -15.4303 -15.3180 -15.3180 -15.2894 -15.2894 -6.3167 -6.3166 -5.7953 -5.7952 -5.6293 -5.6292 -5.4146 -5.4145 -2.4928 -2.4910 -2.1222 -2.1207 -1.7906 -1.7900 -1.5094 -1.5079 -0.6352 -0.6341 -0.1195 -0.1191 0.2297 0.2299 0.5222 0.5224 5.8980 5.8983 6.2748 6.2752 7.4425 7.4427 7.9933 7.9935 k = 0.5000 0.3487 0.4864 ( 15488 PWs) bands (ev): -43.4691 -43.4691 -42.3526 -42.3526 -42.3493 -42.3493 -42.0823 -42.0823 -15.4915 -15.4915 -15.4297 -15.4297 -15.3158 -15.3158 -15.2885 -15.2885 -6.3087 -6.3086 -5.7804 -5.7802 -5.6431 -5.6429 -5.4169 -5.4168 -2.4897 -2.4879 -2.1132 -2.1117 -1.7894 -1.7888 -1.5112 -1.5098 -0.6262 -0.6250 -0.1049 -0.1045 0.2061 0.2063 0.5162 0.5164 5.8378 5.8381 6.2704 6.2708 7.3793 7.3794 7.9317 7.9319 k = 0.5000 0.3487 0.4669 ( 15494 PWs) bands (ev): -43.4691 -43.4691 -42.3528 -42.3528 -42.3493 -42.3493 -42.0822 -42.0822 -15.4964 -15.4964 -15.4291 -15.4291 -15.3134 -15.3134 -15.2874 -15.2874 -6.3015 -6.3015 -5.7647 -5.7645 -5.6566 -5.6565 -5.4191 -5.4190 -2.4868 -2.4850 -2.1035 -2.1020 -1.7882 -1.7875 -1.5137 -1.5122 -0.6174 -0.6162 -0.0904 -0.0899 0.1843 0.1846 0.5101 0.5104 5.7777 5.7780 6.2662 6.2666 7.3137 7.3137 7.8694 7.8696 k = 0.5000 0.3487 0.4475 ( 15510 PWs) bands (ev): -43.4691 -43.4691 -42.3530 -42.3530 -42.3492 -42.3492 -42.0820 -42.0820 -15.5016 -15.5015 -15.4284 -15.4284 -15.3110 -15.3110 -15.2863 -15.2863 -6.2953 -6.2953 -5.7484 -5.7482 -5.6698 -5.6697 -5.4212 -5.4212 -2.4841 -2.4823 -2.0931 -2.0916 -1.7869 -1.7861 -1.5167 -1.5152 -0.6089 -0.6077 -0.0765 -0.0761 0.1652 0.1654 0.5041 0.5043 5.7179 5.7182 6.2620 6.2623 7.2465 7.2465 7.8065 7.8067 k = 0.5000 0.3487 0.4280 ( 15504 PWs) bands (ev): -43.4691 -43.4691 -42.3532 -42.3532 -42.3492 -42.3492 -42.0819 -42.0819 -15.5068 -15.5068 -15.4279 -15.4278 -15.3085 -15.3085 -15.2850 -15.2850 -6.2900 -6.2900 -5.7316 -5.7313 -5.6826 -5.6824 -5.4233 -5.4233 -2.4816 -2.4798 -2.0820 -2.0806 -1.7855 -1.7848 -1.5202 -1.5188 -0.6010 -0.5997 -0.0641 -0.0637 0.1496 0.1498 0.4980 0.4983 5.6588 5.6591 6.2577 6.2580 7.1783 7.1784 7.7435 7.7436 k = 0.5000 0.3487 0.4086 ( 15500 PWs) bands (ev): -43.4691 -43.4691 -42.3534 -42.3534 -42.3491 -42.3491 -42.0817 -42.0817 -15.5120 -15.5120 -15.4274 -15.4274 -15.3059 -15.3059 -15.2837 -15.2837 -6.2858 -6.2858 -5.7148 -5.7145 -5.6942 -5.6941 -5.4254 -5.4253 -2.4793 -2.4776 -2.0703 -2.0689 -1.7841 -1.7834 -1.5245 -1.5230 -0.5937 -0.5924 -0.0544 -0.0540 0.1389 0.1391 0.4920 0.4923 5.6006 5.6009 6.2533 6.2536 7.1099 7.1099 7.6804 7.6805 k = 0.5000 0.3487 0.3891 ( 15494 PWs) bands (ev): -43.4691 -43.4691 -42.3536 -42.3536 -42.3490 -42.3490 -42.0816 -42.0816 -15.5173 -15.5173 -15.4270 -15.4270 -15.3032 -15.3032 -15.2823 -15.2823 -6.2827 -6.2826 -5.7087 -5.7086 -5.6941 -5.6940 -5.4274 -5.4274 -2.4773 -2.4757 -2.0579 -2.0565 -1.7827 -1.7820 -1.5293 -1.5278 -0.5871 -0.5858 -0.0484 -0.0480 0.1343 0.1344 0.4861 0.4864 5.5435 5.5437 6.2488 6.2491 7.0417 7.0417 7.6175 7.6176 k = 0.5000 0.3487 0.3697 ( 15490 PWs) bands (ev): -43.4691 -43.4691 -42.3538 -42.3538 -42.3490 -42.3490 -42.0814 -42.0814 -15.5225 -15.5225 -15.4268 -15.4268 -15.3005 -15.3005 -15.2808 -15.2808 -6.2806 -6.2806 -5.7186 -5.7186 -5.6772 -5.6769 -5.4293 -5.4293 -2.4756 -2.4740 -2.0448 -2.0435 -1.7813 -1.7805 -1.5348 -1.5333 -0.5814 -0.5801 -0.0467 -0.0464 0.1363 0.1363 0.4803 0.4805 5.4875 5.4878 6.2444 6.2446 6.9742 6.9742 7.5551 7.5552 k = 0.5000 0.3487 0.3502 ( 15506 PWs) bands (ev): -43.4691 -43.4691 -42.3540 -42.3540 -42.3489 -42.3489 -42.0813 -42.0813 -15.5277 -15.5277 -15.4267 -15.4267 -15.2976 -15.2976 -15.2793 -15.2793 -6.2796 -6.2795 -5.7287 -5.7286 -5.6591 -5.6589 -5.4312 -5.4312 -2.4741 -2.4725 -2.0312 -2.0299 -1.7799 -1.7791 -1.5409 -1.5394 -0.5766 -0.5754 -0.0491 -0.0487 0.1446 0.1446 0.4746 0.4748 5.4330 5.4333 6.2400 6.2402 6.9078 6.9078 7.4933 7.4934 k = 0.5000 0.3487 0.3307 ( 15500 PWs) bands (ev): -43.4691 -43.4691 -42.3542 -42.3542 -42.3489 -42.3489 -42.0811 -42.0811 -15.5328 -15.5328 -15.4267 -15.4267 -15.2948 -15.2947 -15.2778 -15.2778 -6.2795 -6.2794 -5.7380 -5.7380 -5.6410 -5.6407 -5.4330 -5.4330 -2.4728 -2.4713 -2.0169 -2.0158 -1.7784 -1.7777 -1.5476 -1.5462 -0.5730 -0.5717 -0.0542 -0.0539 0.1579 0.1580 0.4690 0.4693 5.3801 5.3803 6.2357 6.2359 6.8429 6.8429 7.4325 7.4326 k = 0.5000 0.3487 0.3113 ( 15520 PWs) bands (ev): -43.4691 -43.4691 -42.3544 -42.3544 -42.3488 -42.3488 -42.0810 -42.0810 -15.5377 -15.5377 -15.4268 -15.4268 -15.2918 -15.2918 -15.2763 -15.2763 -6.2804 -6.2803 -5.7466 -5.7465 -5.6229 -5.6227 -5.4348 -5.4348 -2.4718 -2.4703 -2.0022 -2.0011 -1.7770 -1.7762 -1.5550 -1.5536 -0.5705 -0.5692 -0.0608 -0.0605 0.1749 0.1751 0.4636 0.4639 5.3289 5.3292 6.2317 6.2319 6.7798 6.7799 7.3729 7.3730 k = 0.5000 0.3487 0.2918 ( 15540 PWs) bands (ev): -43.4691 -43.4691 -42.3545 -42.3545 -42.3488 -42.3488 -42.0808 -42.0808 -15.5424 -15.5424 -15.4271 -15.4271 -15.2889 -15.2889 -15.2748 -15.2748 -6.2821 -6.2820 -5.7543 -5.7543 -5.6051 -5.6049 -5.4365 -5.4365 -2.4709 -2.4696 -1.9870 -1.9859 -1.7756 -1.7748 -1.5630 -1.5616 -0.5691 -0.5679 -0.0678 -0.0674 0.1943 0.1945 0.4584 0.4587 5.2797 5.2799 6.2281 6.2282 6.7190 6.7191 7.3146 7.3147 k = 0.5000 0.3487 0.2724 ( 15538 PWs) bands (ev): -43.4691 -43.4691 -42.3547 -42.3547 -42.3488 -42.3488 -42.0807 -42.0807 -15.5470 -15.5470 -15.4274 -15.4274 -15.2860 -15.2860 -15.2733 -15.2733 -6.2846 -6.2845 -5.7612 -5.7611 -5.5877 -5.5874 -5.4381 -5.4381 -2.4702 -2.4690 -1.9714 -1.9704 -1.7742 -1.7734 -1.5716 -1.5702 -0.5689 -0.5677 -0.0744 -0.0741 0.2151 0.2153 0.4535 0.4537 5.2325 5.2327 6.2249 6.2250 6.6607 6.6608 7.2579 7.2580 k = 0.5000 0.3487 0.2529 ( 15550 PWs) bands (ev): -43.4691 -43.4691 -42.3549 -42.3549 -42.3487 -42.3487 -42.0806 -42.0806 -15.5514 -15.5514 -15.4278 -15.4278 -15.2832 -15.2832 -15.2719 -15.2719 -6.2876 -6.2875 -5.7673 -5.7672 -5.5708 -5.5706 -5.4396 -5.4396 -2.4697 -2.4686 -1.9554 -1.9545 -1.7728 -1.7720 -1.5807 -1.5794 -0.5697 -0.5686 -0.0803 -0.0799 0.2367 0.2369 0.4488 0.4490 5.1876 5.1878 6.2222 6.2223 6.6052 6.6052 7.2030 7.2031 k = 0.5000 0.3487 0.2335 ( 15546 PWs) bands (ev): -43.4691 -43.4691 -42.3550 -42.3550 -42.3487 -42.3487 -42.0805 -42.0805 -15.5555 -15.5555 -15.4283 -15.4283 -15.2804 -15.2804 -15.2705 -15.2705 -6.2912 -6.2910 -5.7726 -5.7726 -5.5546 -5.5544 -5.4411 -5.4410 -2.4694 -2.4683 -1.9392 -1.9383 -1.7714 -1.7707 -1.5904 -1.5891 -0.5715 -0.5705 -0.0852 -0.0848 0.2585 0.2587 0.4443 0.4445 5.1451 5.1453 6.2201 6.2202 6.5527 6.5528 7.1503 7.1504 k = 0.5000 0.3487 0.2140 ( 15540 PWs) bands (ev): -43.4691 -43.4691 -42.3552 -42.3552 -42.3486 -42.3486 -42.0804 -42.0804 -15.5593 -15.5593 -15.4287 -15.4287 -15.2778 -15.2777 -15.2692 -15.2692 -6.2950 -6.2949 -5.7772 -5.7772 -5.5392 -5.5390 -5.4424 -5.4424 -2.4692 -2.4682 -1.9228 -1.9219 -1.7701 -1.7694 -1.6005 -1.5993 -0.5742 -0.5732 -0.0890 -0.0887 0.2800 0.2802 0.4401 0.4403 5.1053 5.1055 6.2187 6.2187 6.5035 6.5036 7.0999 7.1000 k = 0.5000 0.3487 0.1946 ( 15550 PWs) bands (ev): -43.4691 -43.4691 -42.3553 -42.3553 -42.3486 -42.3486 -42.0803 -42.0803 -15.5629 -15.5629 -15.4293 -15.4292 -15.2752 -15.2752 -15.2680 -15.2680 -6.2991 -6.2990 -5.7811 -5.7811 -5.5248 -5.5245 -5.4437 -5.4436 -2.4690 -2.4681 -1.9063 -1.9053 -1.7688 -1.7681 -1.6112 -1.6099 -0.5775 -0.5765 -0.0919 -0.0916 0.3009 0.3011 0.4362 0.4364 5.0682 5.0684 6.2180 6.2180 6.4578 6.4579 7.0521 7.0522 k = 0.5000 0.3487 0.1751 ( 15554 PWs) bands (ev): -43.4691 -43.4691 -42.3554 -42.3554 -42.3486 -42.3486 -42.0802 -42.0802 -15.5662 -15.5662 -15.4298 -15.4298 -15.2729 -15.2729 -15.2669 -15.2669 -6.3032 -6.3031 -5.7845 -5.7844 -5.5113 -5.5111 -5.4448 -5.4448 -2.4690 -2.4682 -1.8896 -1.8887 -1.7676 -1.7670 -1.6223 -1.6211 -0.5812 -0.5804 -0.0938 -0.0935 0.3208 0.3210 0.4327 0.4328 5.0340 5.0342 6.2179 6.2179 6.4158 6.4159 7.0072 7.0074 k = 0.5000 0.3487 0.1556 ( 15544 PWs) bands (ev): -43.4691 -43.4691 -42.3556 -42.3556 -42.3485 -42.3485 -42.0801 -42.0801 -15.5692 -15.5692 -15.4303 -15.4302 -15.2707 -15.2707 -15.2658 -15.2658 -6.3073 -6.3072 -5.7873 -5.7872 -5.4990 -5.4988 -5.4459 -5.4458 -2.4690 -2.4683 -1.8730 -1.8721 -1.7665 -1.7659 -1.6338 -1.6326 -0.5852 -0.5845 -0.0950 -0.0947 0.3395 0.3397 0.4295 0.4296 5.0030 5.0031 6.2185 6.2185 6.3778 6.3778 6.9656 6.9658 k = 0.5000 0.3487 0.1362 ( 15540 PWs) bands (ev): -43.4691 -43.4691 -42.3557 -42.3557 -42.3485 -42.3485 -42.0800 -42.0800 -15.5719 -15.5719 -15.4307 -15.4307 -15.2687 -15.2687 -15.2649 -15.2649 -6.3112 -6.3111 -5.7896 -5.7896 -5.4879 -5.4877 -5.4468 -5.4468 -2.4691 -2.4684 -1.8565 -1.8556 -1.7654 -1.7649 -1.6457 -1.6445 -0.5893 -0.5886 -0.0955 -0.0953 0.3566 0.3568 0.4266 0.4267 4.9752 4.9753 6.2196 6.2197 6.3438 6.3438 6.9276 6.9277 k = 0.5000 0.3487 0.1167 ( 15564 PWs) bands (ev): -43.4691 -43.4691 -42.3558 -42.3558 -42.3485 -42.3485 -42.0799 -42.0799 -15.5742 -15.5742 -15.4311 -15.4311 -15.2670 -15.2669 -15.2641 -15.2641 -6.3148 -6.3147 -5.7915 -5.7914 -5.4781 -5.4779 -5.4476 -5.4476 -2.4691 -2.4686 -1.8402 -1.8393 -1.7645 -1.7640 -1.6580 -1.6568 -0.5932 -0.5926 -0.0956 -0.0954 0.3720 0.3721 0.4241 0.4242 4.9507 4.9509 6.2213 6.2213 6.3140 6.3141 6.8935 6.8936 k = 0.5000 0.3487 0.0973 ( 15568 PWs) bands (ev): -43.4691 -43.4691 -42.3558 -42.3558 -42.3485 -42.3485 -42.0799 -42.0799 -15.5762 -15.5762 -15.4315 -15.4315 -15.2654 -15.2654 -15.2634 -15.2634 -6.3180 -6.3180 -5.7930 -5.7930 -5.4697 -5.4695 -5.4483 -5.4483 -2.4692 -2.4688 -1.8241 -1.8232 -1.7636 -1.7632 -1.6705 -1.6694 -0.5968 -0.5963 -0.0955 -0.0953 0.3854 0.3855 0.4219 0.4220 4.9298 4.9299 6.2232 6.2232 6.2886 6.2887 6.8637 6.8638 k = 0.5000 0.3487 0.0778 ( 15570 PWs) bands (ev): -43.4691 -43.4691 -42.3559 -42.3559 -42.3484 -42.3484 -42.0798 -42.0798 -15.5779 -15.5779 -15.4319 -15.4318 -15.2642 -15.2642 -15.2628 -15.2628 -6.3208 -6.3207 -5.7942 -5.7941 -5.4627 -5.4626 -5.4489 -5.4489 -2.4693 -2.4689 -1.8084 -1.8075 -1.7629 -1.7626 -1.6833 -1.6822 -0.6000 -0.5996 -0.0951 -0.0950 0.3966 0.3967 0.4202 0.4202 4.9126 4.9127 6.2252 6.2253 6.2677 6.2677 6.8386 6.8387 k = 0.5000 0.3487 0.0584 ( 15574 PWs) bands (ev): -43.4691 -43.4691 -42.3559 -42.3559 -42.3484 -42.3484 -42.0798 -42.0798 -15.5792 -15.5792 -15.4321 -15.4321 -15.2632 -15.2632 -15.2623 -15.2623 -6.3230 -6.3229 -5.7950 -5.7950 -5.4572 -5.4571 -5.4493 -5.4493 -2.4694 -2.4691 -1.7933 -1.7924 -1.7623 -1.7621 -1.6960 -1.6950 -0.6026 -0.6023 -0.0947 -0.0946 0.4055 0.4055 0.4188 0.4189 4.8990 4.8991 6.2271 6.2272 6.2513 6.2513 6.8186 6.8187 k = 0.5000 0.3487 0.0389 ( 15564 PWs) bands (ev): -43.4691 -43.4691 -42.3560 -42.3560 -42.3484 -42.3484 -42.0798 -42.0798 -15.5801 -15.5801 -15.4323 -15.4323 -15.2625 -15.2625 -15.2620 -15.2620 -6.3246 -6.3246 -5.7956 -5.7956 -5.4533 -5.4532 -5.4497 -5.4496 -2.4694 -2.4692 -1.7792 -1.7784 -1.7619 -1.7617 -1.7084 -1.7075 -0.6045 -0.6043 -0.0943 -0.0943 0.4119 0.4120 0.4178 0.4179 4.8893 4.8894 6.2287 6.2287 6.2395 6.2396 6.8041 6.8041 k = 0.5000 0.3487 0.0195 ( 15552 PWs) bands (ev): -43.4691 -43.4691 -42.3560 -42.3560 -42.3484 -42.3484 -42.0797 -42.0797 -15.5807 -15.5807 -15.4324 -15.4324 -15.2620 -15.2620 -15.2618 -15.2618 -6.3256 -6.3256 -5.7960 -5.7960 -5.4509 -5.4508 -5.4498 -5.4498 -2.4694 -2.4693 -1.7673 -1.7667 -1.7616 -1.7615 -1.7190 -1.7184 -0.6057 -0.6056 -0.0941 -0.0941 0.4156 0.4157 0.4173 0.4174 4.8835 4.8835 6.2297 6.2298 6.2325 6.2325 6.7952 6.7952 k = 0.5000 0.3487-0.0000 ( 15552 PWs) bands (ev): -43.4691 -43.4691 -42.3560 -42.3560 -42.3484 -42.3484 -42.0797 -42.0797 -15.5808 -15.5808 -15.4325 -15.4325 -15.2619 -15.2619 -15.2617 -15.2617 -6.3259 -6.3259 -5.7961 -5.7961 -5.4501 -5.4501 -5.4499 -5.4499 -2.4694 -2.4694 -1.7619 -1.7619 -1.7612 -1.7612 -1.7237 -1.7237 -0.6060 -0.6060 -0.0940 -0.0940 0.4165 0.4165 0.4176 0.4176 4.8815 4.8815 6.2301 6.2301 6.2302 6.2302 6.7922 6.7922 k = 0.0000 0.0000 0.8741 ( 15474 PWs) bands (ev): -43.4691 -43.4691 -42.3501 -42.3501 -42.3499 -42.3499 -42.0842 -42.0842 -15.4760 -15.4760 -15.3978 -15.3978 -15.3483 -15.3483 -15.2896 -15.2896 -6.4564 -6.4564 -5.9263 -5.9263 -5.4761 -5.4761 -5.3720 -5.3720 -2.5393 -2.5393 -2.1948 -2.1948 -1.8003 -1.8003 -1.5154 -1.5154 -0.7445 -0.7445 -0.2517 -0.2517 0.5606 0.5606 0.6030 0.6030 6.2292 6.2292 6.9302 6.9302 7.5070 7.5070 8.6926 8.6926 k = 0.0156 0.0109 0.8741 ( 15458 PWs) bands (ev): -43.4691 -43.4691 -42.3501 -42.3501 -42.3499 -42.3499 -42.0842 -42.0842 -15.4760 -15.4760 -15.3978 -15.3978 -15.3483 -15.3483 -15.2896 -15.2896 -6.4564 -6.4564 -5.9264 -5.9264 -5.4760 -5.4760 -5.3721 -5.3720 -2.5392 -2.5392 -2.1945 -2.1944 -1.8011 -1.8008 -1.5154 -1.5154 -0.7437 -0.7434 -0.2524 -0.2523 0.5605 0.5606 0.6029 0.6030 6.2294 6.2294 6.9302 6.9302 7.5071 7.5071 8.6860 8.6860 k = 0.0312 0.0218 0.8741 ( 15456 PWs) bands (ev): -43.4691 -43.4691 -42.3501 -42.3501 -42.3499 -42.3499 -42.0842 -42.0842 -15.4760 -15.4760 -15.3978 -15.3978 -15.3483 -15.3483 -15.2896 -15.2896 -6.4563 -6.4563 -5.9265 -5.9265 -5.4759 -5.4759 -5.3722 -5.3721 -2.5391 -2.5390 -2.1938 -2.1934 -1.8032 -1.8026 -1.5156 -1.5155 -0.7408 -0.7403 -0.2544 -0.2541 0.5605 0.5607 0.6029 0.6030 6.2299 6.2299 6.9302 6.9303 7.5072 7.5072 8.6683 8.6683 k = 0.0469 0.0327 0.8741 ( 15464 PWs) bands (ev): -43.4691 -43.4691 -42.3501 -42.3501 -42.3499 -42.3499 -42.0842 -42.0842 -15.4760 -15.4760 -15.3978 -15.3978 -15.3483 -15.3483 -15.2896 -15.2896 -6.4561 -6.4561 -5.9268 -5.9268 -5.4758 -5.4757 -5.3724 -5.3723 -2.5389 -2.5388 -2.1924 -2.1919 -1.8065 -1.8056 -1.5158 -1.5156 -0.7360 -0.7352 -0.2576 -0.2572 0.5605 0.5608 0.6028 0.6030 6.2308 6.2308 6.9303 6.9304 7.5075 7.5075 8.6434 8.6434 k = 0.0625 0.0436 0.8741 ( 15460 PWs) bands (ev): -43.4691 -43.4691 -42.3501 -42.3501 -42.3499 -42.3499 -42.0842 -42.0842 -15.4760 -15.4760 -15.3978 -15.3978 -15.3483 -15.3483 -15.2896 -15.2896 -6.4558 -6.4558 -5.9271 -5.9271 -5.4755 -5.4754 -5.3727 -5.3725 -2.5385 -2.5384 -2.1906 -2.1899 -1.8109 -1.8098 -1.5161 -1.5158 -0.7295 -0.7285 -0.2620 -0.2614 0.5606 0.5609 0.6026 0.6029 6.2320 6.2320 6.9305 6.9306 7.5078 7.5079 8.6149 8.6149 k = 0.0781 0.0545 0.8741 ( 15460 PWs) bands (ev): -43.4691 -43.4691 -42.3501 -42.3501 -42.3499 -42.3499 -42.0842 -42.0842 -15.4760 -15.4760 -15.3978 -15.3978 -15.3483 -15.3483 -15.2896 -15.2896 -6.4555 -6.4555 -5.9275 -5.9275 -5.4752 -5.4751 -5.3730 -5.3728 -2.5381 -2.5380 -2.1882 -2.1874 -1.8163 -1.8149 -1.5164 -1.5161 -0.7214 -0.7201 -0.2675 -0.2668 0.5606 0.5610 0.6025 0.6029 6.2334 6.2335 6.9307 6.9308 7.5083 7.5083 8.5851 8.5852 k = 0.0938 0.0654 0.8741 ( 15458 PWs) bands (ev): -43.4691 -43.4691 -42.3501 -42.3501 -42.3499 -42.3499 -42.0842 -42.0842 -15.4760 -15.4760 -15.3978 -15.3978 -15.3483 -15.3483 -15.2896 -15.2896 -6.4552 -6.4552 -5.9280 -5.9280 -5.4749 -5.4747 -5.3734 -5.3732 -2.5377 -2.5375 -2.1855 -2.1845 -1.8225 -1.8208 -1.5167 -1.5164 -0.7120 -0.7104 -0.2740 -0.2731 0.5607 0.5611 0.6024 0.6028 6.2351 6.2351 6.9309 6.9311 7.5087 7.5089 8.5557 8.5558 k = 0.1094 0.0763 0.8741 ( 15470 PWs) bands (ev): -43.4691 -43.4691 -42.3501 -42.3501 -42.3499 -42.3499 -42.0842 -42.0842 -15.4760 -15.4759 -15.3978 -15.3978 -15.3483 -15.3483 -15.2896 -15.2896 -6.4548 -6.4548 -5.9286 -5.9285 -5.4745 -5.4743 -5.3738 -5.3736 -2.5372 -2.5369 -2.1824 -2.1813 -1.8292 -1.8272 -1.5171 -1.5168 -0.7015 -0.6996 -0.2813 -0.2803 0.5607 0.5613 0.6022 0.6027 6.2369 6.2370 6.9311 6.9313 7.5093 7.5094 8.5274 8.5276 k = 0.1250 0.0872 0.8741 ( 15462 PWs) bands (ev): -43.4691 -43.4691 -42.3501 -42.3501 -42.3499 -42.3499 -42.0842 -42.0842 -15.4759 -15.4759 -15.3979 -15.3979 -15.3483 -15.3482 -15.2896 -15.2896 -6.4544 -6.4544 -5.9291 -5.9291 -5.4741 -5.4739 -5.3742 -5.3740 -2.5367 -2.5364 -2.1792 -2.1778 -1.8362 -1.8340 -1.5175 -1.5171 -0.6902 -0.6881 -0.2893 -0.2881 0.5608 0.5614 0.6021 0.6026 6.2388 6.2389 6.9313 6.9315 7.5098 7.5100 8.5011 8.5012 k = 0.1406 0.0981 0.8741 ( 15458 PWs) bands (ev): -43.4691 -43.4691 -42.3501 -42.3501 -42.3499 -42.3499 -42.0842 -42.0842 -15.4759 -15.4759 -15.3979 -15.3979 -15.3482 -15.3482 -15.2896 -15.2896 -6.4540 -6.4540 -5.9296 -5.9296 -5.4737 -5.4735 -5.3746 -5.3744 -2.5361 -2.5358 -2.1758 -2.1742 -1.8433 -1.8408 -1.5179 -1.5175 -0.6786 -0.6762 -0.2977 -0.2963 0.5609 0.5615 0.6019 0.6025 6.2407 6.2408 6.9315 6.9318 7.5104 7.5106 8.4770 8.4771 k = 0.1562 0.1090 0.8741 ( 15478 PWs) bands (ev): -43.4691 -43.4691 -42.3501 -42.3501 -42.3499 -42.3499 -42.0842 -42.0842 -15.4759 -15.4759 -15.3979 -15.3979 -15.3482 -15.3482 -15.2896 -15.2896 -6.4537 -6.4536 -5.9302 -5.9301 -5.4733 -5.4731 -5.3750 -5.3748 -2.5356 -2.5353 -2.1724 -2.1707 -1.8502 -1.8475 -1.5183 -1.5178 -0.6670 -0.6643 -0.3063 -0.3047 0.5609 0.5617 0.6018 0.6024 6.2425 6.2426 6.9317 6.9320 7.5109 7.5111 8.4556 8.4557 k = 0.1719 0.1199 0.8741 ( 15482 PWs) bands (ev): -43.4691 -43.4691 -42.3501 -42.3501 -42.3499 -42.3499 -42.0842 -42.0842 -15.4759 -15.4759 -15.3979 -15.3979 -15.3482 -15.3482 -15.2896 -15.2896 -6.4533 -6.4533 -5.9306 -5.9306 -5.4729 -5.4727 -5.3754 -5.3751 -2.5352 -2.5348 -2.1691 -2.1673 -1.8567 -1.8537 -1.5186 -1.5182 -0.6559 -0.6529 -0.3147 -0.3129 0.5610 0.5618 0.6016 0.6023 6.2442 6.2443 6.9319 6.9322 7.5114 7.5116 8.4371 8.4372 k = 0.1875 0.1308 0.8741 ( 15486 PWs) bands (ev): -43.4691 -43.4691 -42.3501 -42.3501 -42.3499 -42.3499 -42.0842 -42.0842 -15.4759 -15.4759 -15.3979 -15.3979 -15.3482 -15.3482 -15.2896 -15.2896 -6.4530 -6.4530 -5.9311 -5.9311 -5.4726 -5.4723 -5.3757 -5.3754 -2.5347 -2.5344 -2.1662 -2.1642 -1.8624 -1.8592 -1.5190 -1.5185 -0.6457 -0.6425 -0.3225 -0.3205 0.5611 0.5619 0.6015 0.6022 6.2457 6.2458 6.9320 6.9324 7.5119 7.5121 8.4217 8.4219 k = 0.2031 0.1417 0.8741 ( 15478 PWs) bands (ev): -43.4691 -43.4691 -42.3501 -42.3501 -42.3499 -42.3499 -42.0842 -42.0842 -15.4759 -15.4759 -15.3979 -15.3979 -15.3482 -15.3482 -15.2896 -15.2896 -6.4528 -6.4527 -5.9314 -5.9314 -5.4724 -5.4721 -5.3760 -5.3757 -2.5344 -2.5340 -2.1637 -2.1616 -1.8671 -1.8638 -1.5192 -1.5187 -0.6370 -0.6336 -0.3293 -0.3271 0.5611 0.5620 0.6014 0.6021 6.2470 6.2471 6.9322 6.9325 7.5122 7.5124 8.4096 8.4097 k = 0.2188 0.1526 0.8741 ( 15472 PWs) bands (ev): -43.4691 -43.4691 -42.3501 -42.3501 -42.3499 -42.3499 -42.0842 -42.0842 -15.4759 -15.4759 -15.3979 -15.3979 -15.3482 -15.3482 -15.2896 -15.2896 -6.4526 -6.4525 -5.9317 -5.9317 -5.4722 -5.4719 -5.3762 -5.3759 -2.5342 -2.5338 -2.1618 -2.1596 -1.8707 -1.8673 -1.5194 -1.5189 -0.6304 -0.6268 -0.3346 -0.3322 0.5612 0.5620 0.6014 0.6021 6.2479 6.2480 6.9322 6.9326 7.5125 7.5127 8.4008 8.4010 k = 0.2344 0.1635 0.8741 ( 15478 PWs) bands (ev): -43.4691 -43.4691 -42.3501 -42.3501 -42.3499 -42.3499 -42.0842 -42.0842 -15.4759 -15.4759 -15.3979 -15.3979 -15.3482 -15.3482 -15.2897 -15.2896 -6.4525 -6.4524 -5.9318 -5.9318 -5.4720 -5.4717 -5.3763 -5.3760 -2.5340 -2.5336 -2.1607 -2.1584 -1.8729 -1.8694 -1.5195 -1.5190 -0.6262 -0.6225 -0.3379 -0.3355 0.5612 0.5621 0.6013 0.6021 6.2485 6.2486 6.9323 6.9327 7.5127 7.5129 8.3955 8.3957 k = 0.2500 0.1744 0.8741 ( 15476 PWs) bands (ev): -43.4691 -43.4691 -42.3501 -42.3501 -42.3499 -42.3499 -42.0842 -42.0842 -15.4759 -15.4759 -15.3979 -15.3979 -15.3482 -15.3482 -15.2897 -15.2896 -6.4524 -6.4524 -5.9319 -5.9319 -5.4720 -5.4717 -5.3764 -5.3760 -2.5339 -2.5336 -2.1603 -2.1580 -1.8736 -1.8701 -1.5195 -1.5190 -0.6247 -0.6210 -0.3391 -0.3366 0.5612 0.5621 0.6013 0.6020 6.2486 6.2488 6.9323 6.9327 7.5127 7.5129 8.3938 8.3940 Writing output data file LiH2N.save init_run : 0.60s CPU 0.42s WALL ( 1 calls) electrons : 552.53s CPU 397.84s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.02s WALL ( 1 calls) potinit : 0.17s CPU 0.11s WALL ( 1 calls) Called by electrons: c_bands : 552.52s CPU 397.82s WALL ( 1 calls) v_of_rho : 0.03s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.03s CPU 0.01s WALL ( 1 calls) newd : 0.04s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.56s CPU 0.63s WALL ( 304 calls) cegterg : 409.77s CPU 315.38s WALL ( 369 calls) Called by sum_band: Called by *egterg: h_psi : 451.98s CPU 302.07s WALL ( 5774 calls) s_psi : 9.90s CPU 8.16s WALL ( 5774 calls) g_psi : 0.59s CPU 0.64s WALL ( 5101 calls) cdiaghg : 38.39s CPU 37.42s WALL ( 5405 calls) cegterg:over : 12.94s CPU 12.88s WALL ( 5101 calls) cegterg:upda : 12.65s CPU 12.69s WALL ( 5101 calls) cegterg:last : 7.27s CPU 7.32s WALL ( 977 calls) cdiaghg:chol : 2.34s CPU 2.23s WALL ( 5405 calls) cdiaghg:inve : 1.36s CPU 1.33s WALL ( 5405 calls) cdiaghg:para : 2.16s CPU 2.06s WALL ( 10810 calls) Called by h_psi: h_psi:vloc : 432.10s CPU 285.05s WALL ( 5774 calls) h_psi:vnl : 19.14s CPU 16.29s WALL ( 5774 calls) add_vuspsi : 8.28s CPU 6.88s WALL ( 5774 calls) General routines calbec : 10.84s CPU 9.39s WALL ( 5774 calls) fft : 0.04s CPU 0.03s WALL ( 15 calls) fftw : 410.84s CPU 267.59s WALL ( 630948 calls) davcio : 0.44s CPU 2.93s WALL ( 608 calls) Parallel routines fft_scatter : 102.74s CPU 82.64s WALL ( 630963 calls) PWSCF : 9m48.23s CPU 7m44.04s WALL This run was terminated on: 4:24: 5 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=