Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:39:39 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./K2MgH4.save/ file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 118 72 21 2683 1270 201 Max 119 73 22 2686 1296 202 Sum 4281 2625 771 96653 46191 7257 bravais-lattice index = 14 lattice parameter (alat) = 13.9831 a.u. unit-cell volume = 754.5442 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 386.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.983117 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.850362 celldm(5)= -0.850362 celldm(6)= 0.700725 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.700725 0.713432 0.000000 ) a(3) = ( -0.850362 -0.356716 0.386830 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.982189 1.292557 ) b(2) = ( 0.000000 1.401676 1.292557 ) b(3) = ( 0.000000 0.000000 2.585114 ) 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 K read from file: /users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Mg read from file: /users/gautes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1129 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential H 1.00 1.00790 H( 1.00) K 9.00 39.09830 K( 1.00) Mg 10.00 24.30500 Mg( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 338 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 2) = ( 0.0000000 0.0000000 0.0235010), wk = 0.0029586 k( 3) = ( 0.0000000 0.0000000 0.0470021), wk = 0.0029586 k( 4) = ( 0.0000000 0.0000000 0.0705031), wk = 0.0029586 k( 5) = ( 0.0000000 0.0000000 0.0940041), wk = 0.0029586 k( 6) = ( 0.0000000 0.0000000 0.1175052), wk = 0.0029586 k( 7) = ( 0.0000000 0.0000000 0.1410062), wk = 0.0029586 k( 8) = ( 0.0000000 0.0000000 0.1645072), wk = 0.0029586 k( 9) = ( 0.0000000 0.0000000 0.1880083), wk = 0.0029586 k( 10) = ( 0.0000000 0.0000000 0.2115093), wk = 0.0029586 k( 11) = ( 0.0000000 0.0000000 0.2350103), wk = 0.0029586 k( 12) = ( 0.0000000 0.0000000 0.2585114), wk = 0.0029586 k( 13) = ( 0.0000000 0.0000000 0.2820124), wk = 0.0029586 k( 14) = ( 0.0000000 0.0000000 0.3055134), wk = 0.0029586 k( 15) = ( 0.0000000 0.0000000 0.3290145), wk = 0.0029586 k( 16) = ( 0.0000000 0.0000000 0.3525155), wk = 0.0029586 k( 17) = ( 0.0000000 0.0000000 0.3760166), wk = 0.0029586 k( 18) = ( 0.0000000 0.0000000 0.3995176), wk = 0.0029586 k( 19) = ( 0.0000000 0.0000000 0.4230186), wk = 0.0029586 k( 20) = ( 0.0000000 0.0000000 0.4465196), wk = 0.0029586 k( 21) = ( 0.0000000 0.0000000 0.4700207), wk = 0.0029586 k( 22) = ( 0.0000000 0.0000000 0.4935217), wk = 0.0029586 k( 23) = ( 0.0000000 0.0000000 0.5170228), wk = 0.0029586 k( 24) = ( 0.0000000 0.0000000 0.5405238), wk = 0.0029586 k( 25) = ( 0.0000000 0.0000000 0.5640248), wk = 0.0029586 k( 26) = ( 0.0000000 0.0000000 0.5875259), wk = 0.0029586 k( 27) = ( 0.0000000 0.0000000 0.6110269), wk = 0.0029586 k( 28) = ( 0.0000000 0.0000000 0.6345279), wk = 0.0029586 k( 29) = ( 0.0000000 0.0000000 0.6580289), wk = 0.0029586 k( 30) = ( 0.0000000 0.0000000 0.6815300), wk = 0.0029586 k( 31) = ( 0.0000000 0.0000000 0.7050310), wk = 0.0029586 k( 32) = ( 0.0000000 0.0000000 0.7285321), wk = 0.0029586 k( 33) = ( 0.0000000 0.0000000 0.7520331), wk = 0.0029586 k( 34) = ( 0.0000000 0.0000000 0.7755341), wk = 0.0029586 k( 35) = ( 0.0000000 0.0000000 0.7990352), wk = 0.0029586 k( 36) = ( 0.0000000 0.0000000 0.8225362), wk = 0.0029586 k( 37) = ( 0.0000000 0.0000000 0.8460372), wk = 0.0029586 k( 38) = ( 0.0000000 0.0000000 0.8695383), wk = 0.0029586 k( 39) = ( 0.0000000 0.0000000 0.8930393), wk = 0.0029586 k( 40) = ( 0.0000000 0.0000000 0.9165403), wk = 0.0029586 k( 41) = ( 0.0000000 0.0000000 0.9400414), wk = 0.0029586 k( 42) = ( 0.0000000 0.0000000 0.9635424), wk = 0.0029586 k( 43) = ( 0.0000000 0.0000000 0.9870434), wk = 0.0029586 k( 44) = ( 0.0000000 0.0000000 1.0105445), wk = 0.0029586 k( 45) = ( 0.0000000 0.0000000 1.0340455), wk = 0.0029586 k( 46) = ( 0.0000000 0.0000000 1.0575465), wk = 0.0029586 k( 47) = ( 0.0000000 0.0000000 1.0810476), wk = 0.0029586 k( 48) = ( 0.0000000 0.0000000 1.1045486), wk = 0.0029586 k( 49) = ( 0.0000000 0.0000000 1.1280497), wk = 0.0029586 k( 50) = ( 0.0000000 0.0000000 1.1515507), wk = 0.0029586 k( 51) = ( 0.0000000 0.0000000 1.1750517), wk = 0.0029586 k( 52) = ( 0.0000000 0.0000000 1.1985527), wk = 0.0029586 k( 53) = ( 0.0000000 0.0000000 1.2220538), wk = 0.0029586 k( 54) = ( 0.0000000 0.0000000 1.2455548), wk = 0.0029586 k( 55) = ( 0.0000000 0.0000000 1.2690558), wk = 0.0029586 k( 56) = ( 0.0000000 0.0000000 1.2925569), wk = 0.0029586 k( 57) = ( 0.0000000 0.0000000 1.2925569), wk = 0.0029586 k( 58) = ( -0.0087985 0.0209743 1.2925569), wk = 0.0029586 k( 59) = ( -0.0175969 0.0419487 1.2925569), wk = 0.0029586 k( 60) = ( -0.0263954 0.0629230 1.2925569), wk = 0.0029586 k( 61) = ( -0.0351938 0.0838974 1.2925569), wk = 0.0029586 k( 62) = ( -0.0439923 0.1048717 1.2925569), wk = 0.0029586 k( 63) = ( -0.0439923 0.1048717 1.2925569), wk = 0.0029586 k( 64) = ( -0.0503257 0.1199698 1.2761842), wk = 0.0029586 k( 65) = ( -0.0566592 0.1350678 1.2598116), wk = 0.0029586 k( 66) = ( -0.0629926 0.1501659 1.2434389), wk = 0.0029586 k( 67) = ( -0.0693261 0.1652640 1.2270662), wk = 0.0029586 k( 68) = ( -0.0756595 0.1803620 1.2106936), wk = 0.0029586 k( 69) = ( -0.0819929 0.1954601 1.1943209), wk = 0.0029586 k( 70) = ( -0.0883264 0.2105582 1.1779482), wk = 0.0029586 k( 71) = ( -0.0946598 0.2256562 1.1615756), wk = 0.0029586 k( 72) = ( -0.1009933 0.2407543 1.1452029), wk = 0.0029586 k( 73) = ( -0.1073267 0.2558524 1.1288303), wk = 0.0029586 k( 74) = ( -0.1136601 0.2709504 1.1124576), wk = 0.0029586 k( 75) = ( -0.1199936 0.2860485 1.0960849), wk = 0.0029586 k( 76) = ( -0.1263270 0.3011466 1.0797123), wk = 0.0029586 k( 77) = ( -0.1326605 0.3162447 1.0633396), wk = 0.0029586 k( 78) = ( -0.1389939 0.3313427 1.0469669), wk = 0.0029586 k( 79) = ( -0.1453273 0.3464408 1.0305943), wk = 0.0029586 k( 80) = ( -0.1516608 0.3615389 1.0142216), wk = 0.0029586 k( 81) = ( -0.1579942 0.3766369 0.9978489), wk = 0.0029586 k( 82) = ( -0.1643277 0.3917350 0.9814763), wk = 0.0029586 k( 83) = ( -0.1706611 0.4068331 0.9651036), wk = 0.0029586 k( 84) = ( -0.1769945 0.4219311 0.9487309), wk = 0.0029586 k( 85) = ( -0.1833280 0.4370292 0.9323583), wk = 0.0029586 k( 86) = ( -0.1896614 0.4521273 0.9159856), wk = 0.0029586 k( 87) = ( -0.1959949 0.4672253 0.8996129), wk = 0.0029586 k( 88) = ( -0.2023283 0.4823234 0.8832403), wk = 0.0029586 k( 89) = ( -0.2086617 0.4974215 0.8668676), wk = 0.0029586 k( 90) = ( -0.2149952 0.5125195 0.8504950), wk = 0.0029586 k( 91) = ( -0.2213286 0.5276176 0.8341223), wk = 0.0029586 k( 92) = ( -0.2276621 0.5427157 0.8177496), wk = 0.0029586 k( 93) = ( -0.2339955 0.5578137 0.8013770), wk = 0.0029586 k( 94) = ( -0.2403290 0.5729118 0.7850043), wk = 0.0029586 k( 95) = ( -0.2466624 0.5880099 0.7686316), wk = 0.0029586 k( 96) = ( -0.2529958 0.6031079 0.7522590), wk = 0.0029586 k( 97) = ( -0.2593293 0.6182060 0.7358863), wk = 0.0029586 k( 98) = ( -0.2656627 0.6333041 0.7195137), wk = 0.0029586 k( 99) = ( -0.2719961 0.6484022 0.7031410), wk = 0.0029586 k( 100) = ( -0.2719961 0.6484022 0.7031410), wk = 0.0029586 k( 101) = ( -0.2656707 0.6333230 0.6867889), wk = 0.0029586 k( 102) = ( -0.2593452 0.6182439 0.6704367), wk = 0.0029586 k( 103) = ( -0.2530197 0.6031648 0.6540846), wk = 0.0029586 k( 104) = ( -0.2466942 0.5880857 0.6377325), wk = 0.0029586 k( 105) = ( -0.2403687 0.5730066 0.6213804), wk = 0.0029586 k( 106) = ( -0.2340432 0.5579274 0.6050283), wk = 0.0029586 k( 107) = ( -0.2277177 0.5428483 0.5886762), wk = 0.0029586 k( 108) = ( -0.2213922 0.5277692 0.5723241), wk = 0.0029586 k( 109) = ( -0.2150667 0.5126901 0.5559719), wk = 0.0029586 k( 110) = ( -0.2087412 0.4976109 0.5396198), wk = 0.0029586 k( 111) = ( -0.2024157 0.4825318 0.5232677), wk = 0.0029586 k( 112) = ( -0.1960902 0.4674527 0.5069156), wk = 0.0029586 k( 113) = ( -0.1897648 0.4523736 0.4905635), wk = 0.0029586 k( 114) = ( -0.1834393 0.4372945 0.4742114), wk = 0.0029586 k( 115) = ( -0.1771138 0.4222153 0.4578592), wk = 0.0029586 k( 116) = ( -0.1707883 0.4071362 0.4415071), wk = 0.0029586 k( 117) = ( -0.1644628 0.3920571 0.4251550), wk = 0.0029586 k( 118) = ( -0.1581373 0.3769780 0.4088029), wk = 0.0029586 k( 119) = ( -0.1518118 0.3618989 0.3924508), wk = 0.0029586 k( 120) = ( -0.1454863 0.3468197 0.3760987), wk = 0.0029586 k( 121) = ( -0.1391608 0.3317406 0.3597466), wk = 0.0029586 k( 122) = ( -0.1328353 0.3166615 0.3433944), wk = 0.0029586 k( 123) = ( -0.1265098 0.3015824 0.3270423), wk = 0.0029586 k( 124) = ( -0.1201843 0.2865033 0.3106902), wk = 0.0029586 k( 125) = ( -0.1138588 0.2714241 0.2943381), wk = 0.0029586 k( 126) = ( -0.1075334 0.2563450 0.2779860), wk = 0.0029586 k( 127) = ( -0.1012079 0.2412659 0.2616339), wk = 0.0029586 k( 128) = ( -0.0948824 0.2261868 0.2452817), wk = 0.0029586 k( 129) = ( -0.0885569 0.2111077 0.2289296), wk = 0.0029586 k( 130) = ( -0.0822314 0.1960285 0.2125775), wk = 0.0029586 k( 131) = ( -0.0759059 0.1809494 0.1962254), wk = 0.0029586 k( 132) = ( -0.0695804 0.1658703 0.1798733), wk = 0.0029586 k( 133) = ( -0.0632549 0.1507912 0.1635212), wk = 0.0029586 k( 134) = ( -0.0569294 0.1357121 0.1471691), wk = 0.0029586 k( 135) = ( -0.0506039 0.1206329 0.1308169), wk = 0.0029586 k( 136) = ( -0.0442784 0.1055538 0.1144648), wk = 0.0029586 k( 137) = ( -0.0379529 0.0904747 0.0981127), wk = 0.0029586 k( 138) = ( -0.0316275 0.0753956 0.0817606), wk = 0.0029586 k( 139) = ( -0.0253020 0.0603165 0.0654085), wk = 0.0029586 k( 140) = ( -0.0189765 0.0452374 0.0490564), wk = 0.0029586 k( 141) = ( -0.0126510 0.0301582 0.0327042), wk = 0.0029586 k( 142) = ( -0.0063255 0.0150791 0.0163521), wk = 0.0029586 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 145) = ( 0.0208333 0.0087393 -0.0000000), wk = 0.0029586 k( 146) = ( 0.0416667 0.0174786 -0.0000000), wk = 0.0029586 k( 147) = ( 0.0625000 0.0262179 -0.0000000), wk = 0.0029586 k( 148) = ( 0.0833333 0.0349572 -0.0000000), wk = 0.0029586 k( 149) = ( 0.1041667 0.0436965 -0.0000000), wk = 0.0029586 k( 150) = ( 0.1250000 0.0524359 -0.0000000), wk = 0.0029586 k( 151) = ( 0.1458333 0.0611752 -0.0000000), wk = 0.0029586 k( 152) = ( 0.1666667 0.0699145 -0.0000000), wk = 0.0029586 k( 153) = ( 0.1875000 0.0786538 -0.0000000), wk = 0.0029586 k( 154) = ( 0.2083333 0.0873931 -0.0000000), wk = 0.0029586 k( 155) = ( 0.2291667 0.0961324 -0.0000000), wk = 0.0029586 k( 156) = ( 0.2500000 0.1048717 -0.0000000), wk = 0.0029586 k( 157) = ( 0.2708333 0.1136110 -0.0000000), wk = 0.0029586 k( 158) = ( 0.2916667 0.1223503 -0.0000000), wk = 0.0029586 k( 159) = ( 0.3125000 0.1310896 -0.0000000), wk = 0.0029586 k( 160) = ( 0.3333333 0.1398289 -0.0000000), wk = 0.0029586 k( 161) = ( 0.3541667 0.1485682 -0.0000000), wk = 0.0029586 k( 162) = ( 0.3750000 0.1573076 -0.0000000), wk = 0.0029586 k( 163) = ( 0.3958333 0.1660469 -0.0000000), wk = 0.0029586 k( 164) = ( 0.4166667 0.1747862 -0.0000000), wk = 0.0029586 k( 165) = ( 0.4375000 0.1835255 -0.0000000), wk = 0.0029586 k( 166) = ( 0.4583333 0.1922648 -0.0000000), wk = 0.0029586 k( 167) = ( 0.4791667 0.2010041 -0.0000000), wk = 0.0029586 k( 168) = ( 0.5000000 0.2097434 -0.0000000), wk = 0.0029586 k( 169) = ( 0.5000000 0.2097434 -0.0000000), wk = 0.0029586 k( 170) = ( 0.4936666 0.2248415 0.0163727), wk = 0.0029586 k( 171) = ( 0.4873331 0.2399395 0.0327453), wk = 0.0029586 k( 172) = ( 0.4809997 0.2550376 0.0491180), wk = 0.0029586 k( 173) = ( 0.4746662 0.2701357 0.0654907), wk = 0.0029586 k( 174) = ( 0.4683328 0.2852337 0.0818633), wk = 0.0029586 k( 175) = ( 0.4619994 0.3003318 0.0982360), wk = 0.0029586 k( 176) = ( 0.4556659 0.3154299 0.1146086), wk = 0.0029586 k( 177) = ( 0.4493325 0.3305279 0.1309813), wk = 0.0029586 k( 178) = ( 0.4429990 0.3456260 0.1473540), wk = 0.0029586 k( 179) = ( 0.4366656 0.3607241 0.1637266), wk = 0.0029586 k( 180) = ( 0.4303322 0.3758221 0.1800993), wk = 0.0029586 k( 181) = ( 0.4239987 0.3909202 0.1964720), wk = 0.0029586 k( 182) = ( 0.4176653 0.4060183 0.2128446), wk = 0.0029586 k( 183) = ( 0.4113318 0.4211163 0.2292173), wk = 0.0029586 k( 184) = ( 0.4049984 0.4362144 0.2455899), wk = 0.0029586 k( 185) = ( 0.3986650 0.4513125 0.2619626), wk = 0.0029586 k( 186) = ( 0.3923315 0.4664106 0.2783353), wk = 0.0029586 k( 187) = ( 0.3859981 0.4815086 0.2947080), wk = 0.0029586 k( 188) = ( 0.3796646 0.4966067 0.3110806), wk = 0.0029586 k( 189) = ( 0.3733312 0.5117048 0.3274533), wk = 0.0029586 k( 190) = ( 0.3669978 0.5268028 0.3438259), wk = 0.0029586 k( 191) = ( 0.3606643 0.5419009 0.3601986), wk = 0.0029586 k( 192) = ( 0.3543309 0.5569990 0.3765713), wk = 0.0029586 k( 193) = ( 0.3479974 0.5720970 0.3929439), wk = 0.0029586 k( 194) = ( 0.3416640 0.5871951 0.4093166), wk = 0.0029586 k( 195) = ( 0.3353306 0.6022932 0.4256893), wk = 0.0029586 k( 196) = ( 0.3289971 0.6173912 0.4420619), wk = 0.0029586 k( 197) = ( 0.3226637 0.6324893 0.4584346), wk = 0.0029586 k( 198) = ( 0.3163302 0.6475874 0.4748073), wk = 0.0029586 k( 199) = ( 0.3099968 0.6626854 0.4911799), wk = 0.0029586 k( 200) = ( 0.3036633 0.6777835 0.5075526), wk = 0.0029586 k( 201) = ( 0.2973299 0.6928816 0.5239252), wk = 0.0029586 k( 202) = ( 0.2909965 0.7079796 0.5402979), wk = 0.0029586 k( 203) = ( 0.2846630 0.7230777 0.5566706), wk = 0.0029586 k( 204) = ( 0.2783296 0.7381758 0.5730432), wk = 0.0029586 k( 205) = ( 0.2719961 0.7532738 0.5894159), wk = 0.0029586 k( 206) = ( 0.2719961 0.7532738 0.5894159), wk = 0.0029586 k( 207) = ( 0.2510734 0.7492403 0.5937899), wk = 0.0029586 k( 208) = ( 0.2301506 0.7452068 0.5981640), wk = 0.0029586 k( 209) = ( 0.2092278 0.7411733 0.6025380), wk = 0.0029586 k( 210) = ( 0.1883050 0.7371397 0.6069121), wk = 0.0029586 k( 211) = ( 0.1673822 0.7331062 0.6112861), wk = 0.0029586 k( 212) = ( 0.1464595 0.7290727 0.6156601), wk = 0.0029586 k( 213) = ( 0.1255367 0.7250392 0.6200342), wk = 0.0029586 k( 214) = ( 0.1046139 0.7210056 0.6244082), wk = 0.0029586 k( 215) = ( 0.0836911 0.7169721 0.6287823), wk = 0.0029586 k( 216) = ( 0.0627683 0.7129386 0.6331563), wk = 0.0029586 k( 217) = ( 0.0418456 0.7089051 0.6375304), wk = 0.0029586 k( 218) = ( 0.0209228 0.7048715 0.6419044), wk = 0.0029586 k( 219) = ( 0.0000000 0.7008380 0.6462784), wk = 0.0029586 k( 220) = ( 0.0000000 0.7008380 0.6462784), wk = 0.0029586 k( 221) = ( 0.0064103 0.6855568 0.6628497), wk = 0.0029586 k( 222) = ( 0.0128205 0.6702756 0.6794209), wk = 0.0029586 k( 223) = ( 0.0192308 0.6549944 0.6959922), wk = 0.0029586 k( 224) = ( 0.0256410 0.6397132 0.7125634), wk = 0.0029586 k( 225) = ( 0.0320513 0.6244321 0.7291346), wk = 0.0029586 k( 226) = ( 0.0384615 0.6091509 0.7457059), wk = 0.0029586 k( 227) = ( 0.0448718 0.5938697 0.7622771), wk = 0.0029586 k( 228) = ( 0.0512821 0.5785885 0.7788484), wk = 0.0029586 k( 229) = ( 0.0576923 0.5633073 0.7954196), wk = 0.0029586 k( 230) = ( 0.0641026 0.5480261 0.8119909), wk = 0.0029586 k( 231) = ( 0.0705128 0.5327449 0.8285621), wk = 0.0029586 k( 232) = ( 0.0769231 0.5174637 0.8451334), wk = 0.0029586 k( 233) = ( 0.0833333 0.5021826 0.8617046), wk = 0.0029586 k( 234) = ( 0.0897436 0.4869014 0.8782758), wk = 0.0029586 k( 235) = ( 0.0961538 0.4716202 0.8948471), wk = 0.0029586 k( 236) = ( 0.1025641 0.4563390 0.9114183), wk = 0.0029586 k( 237) = ( 0.1089744 0.4410578 0.9279896), wk = 0.0029586 k( 238) = ( 0.1153846 0.4257766 0.9445608), wk = 0.0029586 k( 239) = ( 0.1217949 0.4104954 0.9611320), wk = 0.0029586 k( 240) = ( 0.1282051 0.3952143 0.9777033), wk = 0.0029586 k( 241) = ( 0.1346154 0.3799331 0.9942745), wk = 0.0029586 k( 242) = ( 0.1410256 0.3646519 1.0108458), wk = 0.0029586 k( 243) = ( 0.1474359 0.3493707 1.0274170), wk = 0.0029586 k( 244) = ( 0.1538461 0.3340895 1.0439882), wk = 0.0029586 k( 245) = ( 0.1602564 0.3188083 1.0605595), wk = 0.0029586 k( 246) = ( 0.1666667 0.3035271 1.0771307), wk = 0.0029586 k( 247) = ( 0.1730769 0.2882460 1.0937020), wk = 0.0029586 k( 248) = ( 0.1794872 0.2729648 1.1102732), wk = 0.0029586 k( 249) = ( 0.1858974 0.2576836 1.1268445), wk = 0.0029586 k( 250) = ( 0.1923077 0.2424024 1.1434157), wk = 0.0029586 k( 251) = ( 0.1987180 0.2271212 1.1599870), wk = 0.0029586 k( 252) = ( 0.2051282 0.2118400 1.1765582), wk = 0.0029586 k( 253) = ( 0.2115385 0.1965588 1.1931294), wk = 0.0029586 k( 254) = ( 0.2179487 0.1812776 1.2097007), wk = 0.0029586 k( 255) = ( 0.2243590 0.1659965 1.2262719), wk = 0.0029586 k( 256) = ( 0.2307692 0.1507153 1.2428432), wk = 0.0029586 k( 257) = ( 0.2371795 0.1354341 1.2594144), wk = 0.0029586 k( 258) = ( 0.2435897 0.1201529 1.2759856), wk = 0.0029586 k( 259) = ( 0.2500000 0.1048717 1.2925569), wk = 0.0029586 k( 260) = ( 0.2500000 0.1048717 1.2925569), wk = 0.0029586 k( 261) = ( 0.2692308 0.1129388 1.2838088), wk = 0.0029586 k( 262) = ( 0.2884615 0.1210058 1.2750607), wk = 0.0029586 k( 263) = ( 0.3076923 0.1290729 1.2663126), wk = 0.0029586 k( 264) = ( 0.3269231 0.1371399 1.2575646), wk = 0.0029586 k( 265) = ( 0.3461538 0.1452070 1.2488165), wk = 0.0029586 k( 266) = ( 0.3653846 0.1532740 1.2400684), wk = 0.0029586 k( 267) = ( 0.3846154 0.1613411 1.2313203), wk = 0.0029586 k( 268) = ( 0.4038462 0.1694081 1.2225722), wk = 0.0029586 k( 269) = ( 0.4230769 0.1774752 1.2138241), wk = 0.0029586 k( 270) = ( 0.4423077 0.1855422 1.2050760), wk = 0.0029586 k( 271) = ( 0.4615385 0.1936093 1.1963280), wk = 0.0029586 k( 272) = ( 0.4807692 0.2016764 1.1875799), wk = 0.0029586 k( 273) = ( 0.5000000 0.2097434 1.1788318), wk = 0.0029586 k( 274) = ( 0.5000000 0.2097434 1.1788318), wk = 0.0029586 k( 275) = ( 0.5000000 0.2097434 1.1557175), wk = 0.0029586 k( 276) = ( 0.5000000 0.2097434 1.1326031), wk = 0.0029586 k( 277) = ( 0.5000000 0.2097434 1.1094887), wk = 0.0029586 k( 278) = ( 0.5000000 0.2097434 1.0863744), wk = 0.0029586 k( 279) = ( 0.5000000 0.2097434 1.0632601), wk = 0.0029586 k( 280) = ( 0.5000000 0.2097434 1.0401457), wk = 0.0029586 k( 281) = ( 0.5000000 0.2097434 1.0170313), wk = 0.0029586 k( 282) = ( 0.5000000 0.2097434 0.9939170), wk = 0.0029586 k( 283) = ( 0.5000000 0.2097434 0.9708027), wk = 0.0029586 k( 284) = ( 0.5000000 0.2097434 0.9476883), wk = 0.0029586 k( 285) = ( 0.5000000 0.2097434 0.9245740), wk = 0.0029586 k( 286) = ( 0.5000000 0.2097434 0.9014596), wk = 0.0029586 k( 287) = ( 0.5000000 0.2097434 0.8783453), wk = 0.0029586 k( 288) = ( 0.5000000 0.2097434 0.8552309), wk = 0.0029586 k( 289) = ( 0.5000000 0.2097434 0.8321166), wk = 0.0029586 k( 290) = ( 0.5000000 0.2097434 0.8090022), wk = 0.0029586 k( 291) = ( 0.5000000 0.2097434 0.7858879), wk = 0.0029586 k( 292) = ( 0.5000000 0.2097434 0.7627735), wk = 0.0029586 k( 293) = ( 0.5000000 0.2097434 0.7396592), wk = 0.0029586 k( 294) = ( 0.5000000 0.2097434 0.7165448), wk = 0.0029586 k( 295) = ( 0.5000000 0.2097434 0.6934305), wk = 0.0029586 k( 296) = ( 0.5000000 0.2097434 0.6703161), wk = 0.0029586 k( 297) = ( 0.5000000 0.2097434 0.6472018), wk = 0.0029586 k( 298) = ( 0.5000000 0.2097434 0.6240874), wk = 0.0029586 k( 299) = ( 0.5000000 0.2097434 0.6009731), wk = 0.0029586 k( 300) = ( 0.5000000 0.2097434 0.5778587), wk = 0.0029586 k( 301) = ( 0.5000000 0.2097434 0.5547444), wk = 0.0029586 k( 302) = ( 0.5000000 0.2097434 0.5316300), wk = 0.0029586 k( 303) = ( 0.5000000 0.2097434 0.5085157), wk = 0.0029586 k( 304) = ( 0.5000000 0.2097434 0.4854013), wk = 0.0029586 k( 305) = ( 0.5000000 0.2097434 0.4622870), wk = 0.0029586 k( 306) = ( 0.5000000 0.2097434 0.4391726), wk = 0.0029586 k( 307) = ( 0.5000000 0.2097434 0.4160583), wk = 0.0029586 k( 308) = ( 0.5000000 0.2097434 0.3929439), wk = 0.0029586 k( 309) = ( 0.5000000 0.2097434 0.3698296), wk = 0.0029586 k( 310) = ( 0.5000000 0.2097434 0.3467152), wk = 0.0029586 k( 311) = ( 0.5000000 0.2097434 0.3236009), wk = 0.0029586 k( 312) = ( 0.5000000 0.2097434 0.3004865), wk = 0.0029586 k( 313) = ( 0.5000000 0.2097434 0.2773722), wk = 0.0029586 k( 314) = ( 0.5000000 0.2097434 0.2542578), wk = 0.0029586 k( 315) = ( 0.5000000 0.2097434 0.2311435), wk = 0.0029586 k( 316) = ( 0.5000000 0.2097434 0.2080291), wk = 0.0029586 k( 317) = ( 0.5000000 0.2097434 0.1849148), wk = 0.0029586 k( 318) = ( 0.5000000 0.2097434 0.1618004), wk = 0.0029586 k( 319) = ( 0.5000000 0.2097434 0.1386861), wk = 0.0029586 k( 320) = ( 0.5000000 0.2097434 0.1155718), wk = 0.0029586 k( 321) = ( 0.5000000 0.2097434 0.0924574), wk = 0.0029586 k( 322) = ( 0.5000000 0.2097434 0.0693430), wk = 0.0029586 k( 323) = ( 0.5000000 0.2097434 0.0462287), wk = 0.0029586 k( 324) = ( 0.5000000 0.2097434 0.0231144), wk = 0.0029586 k( 325) = ( 0.5000000 0.2097434 -0.0000000), wk = 0.0029586 k( 326) = ( 0.0000000 0.0000000 1.2925569), wk = 0.0029586 k( 327) = ( 0.0208333 0.0087393 1.2925569), wk = 0.0029586 k( 328) = ( 0.0416667 0.0174786 1.2925569), wk = 0.0029586 k( 329) = ( 0.0625000 0.0262179 1.2925569), wk = 0.0029586 k( 330) = ( 0.0833333 0.0349572 1.2925569), wk = 0.0029586 k( 331) = ( 0.1041667 0.0436965 1.2925569), wk = 0.0029586 k( 332) = ( 0.1250000 0.0524359 1.2925569), wk = 0.0029586 k( 333) = ( 0.1458333 0.0611752 1.2925569), wk = 0.0029586 k( 334) = ( 0.1666667 0.0699145 1.2925569), wk = 0.0029586 k( 335) = ( 0.1875000 0.0786538 1.2925569), wk = 0.0029586 k( 336) = ( 0.2083333 0.0873931 1.2925569), wk = 0.0029586 k( 337) = ( 0.2291667 0.0961324 1.2925569), wk = 0.0029586 k( 338) = ( 0.2500000 0.1048717 1.2925569), wk = 0.0029586 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 2) = ( 0.0000000 0.0000000 0.0090909), wk = 0.0029586 k( 3) = ( 0.0000000 0.0000000 0.0181818), wk = 0.0029586 k( 4) = ( 0.0000000 0.0000000 0.0272727), wk = 0.0029586 k( 5) = ( 0.0000000 0.0000000 0.0363636), wk = 0.0029586 k( 6) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0029586 k( 7) = ( 0.0000000 0.0000000 0.0545455), wk = 0.0029586 k( 8) = ( 0.0000000 0.0000000 0.0636364), wk = 0.0029586 k( 9) = ( 0.0000000 0.0000000 0.0727273), wk = 0.0029586 k( 10) = ( 0.0000000 0.0000000 0.0818182), wk = 0.0029586 k( 11) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0029586 k( 12) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0029586 k( 13) = ( 0.0000000 0.0000000 0.1090909), wk = 0.0029586 k( 14) = ( 0.0000000 0.0000000 0.1181818), wk = 0.0029586 k( 15) = ( 0.0000000 0.0000000 0.1272727), wk = 0.0029586 k( 16) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0029586 k( 17) = ( 0.0000000 0.0000000 0.1454545), wk = 0.0029586 k( 18) = ( 0.0000000 0.0000000 0.1545455), wk = 0.0029586 k( 19) = ( 0.0000000 0.0000000 0.1636364), wk = 0.0029586 k( 20) = ( 0.0000000 0.0000000 0.1727273), wk = 0.0029586 k( 21) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0029586 k( 22) = ( 0.0000000 0.0000000 0.1909091), wk = 0.0029586 k( 23) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0029586 k( 24) = ( 0.0000000 0.0000000 0.2090909), wk = 0.0029586 k( 25) = ( 0.0000000 0.0000000 0.2181818), wk = 0.0029586 k( 26) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0029586 k( 27) = ( 0.0000000 0.0000000 0.2363636), wk = 0.0029586 k( 28) = ( 0.0000000 0.0000000 0.2454546), wk = 0.0029586 k( 29) = ( 0.0000000 0.0000000 0.2545455), wk = 0.0029586 k( 30) = ( 0.0000000 0.0000000 0.2636364), wk = 0.0029586 k( 31) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0029586 k( 32) = ( 0.0000000 0.0000000 0.2818182), wk = 0.0029586 k( 33) = ( 0.0000000 0.0000000 0.2909091), wk = 0.0029586 k( 34) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0029586 k( 35) = ( 0.0000000 0.0000000 0.3090909), wk = 0.0029586 k( 36) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0029586 k( 37) = ( 0.0000000 0.0000000 0.3272727), wk = 0.0029586 k( 38) = ( 0.0000000 0.0000000 0.3363636), wk = 0.0029586 k( 39) = ( 0.0000000 0.0000000 0.3454546), wk = 0.0029586 k( 40) = ( 0.0000000 0.0000000 0.3545454), wk = 0.0029586 k( 41) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0029586 k( 42) = ( 0.0000000 0.0000000 0.3727273), wk = 0.0029586 k( 43) = ( 0.0000000 0.0000000 0.3818182), wk = 0.0029586 k( 44) = ( 0.0000000 0.0000000 0.3909091), wk = 0.0029586 k( 45) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0029586 k( 46) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0029586 k( 47) = ( 0.0000000 0.0000000 0.4181818), wk = 0.0029586 k( 48) = ( 0.0000000 0.0000000 0.4272727), wk = 0.0029586 k( 49) = ( 0.0000000 0.0000000 0.4363636), wk = 0.0029586 k( 50) = ( 0.0000000 0.0000000 0.4454546), wk = 0.0029586 k( 51) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0029586 k( 52) = ( 0.0000000 0.0000000 0.4636364), wk = 0.0029586 k( 53) = ( 0.0000000 0.0000000 0.4727273), wk = 0.0029586 k( 54) = ( 0.0000000 0.0000000 0.4818182), wk = 0.0029586 k( 55) = ( 0.0000000 0.0000000 0.4909091), wk = 0.0029586 k( 56) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029586 k( 57) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029586 k( 58) = ( -0.0087985 0.0087985 0.5000000), wk = 0.0029586 k( 59) = ( -0.0175969 0.0175969 0.5000000), wk = 0.0029586 k( 60) = ( -0.0263954 0.0263954 0.5000000), wk = 0.0029586 k( 61) = ( -0.0351938 0.0351938 0.5000000), wk = 0.0029586 k( 62) = ( -0.0439923 0.0439923 0.5000000), wk = 0.0029586 k( 63) = ( -0.0439923 0.0439923 0.5000000), wk = 0.0029586 k( 64) = ( -0.0503257 0.0503257 0.4936666), wk = 0.0029586 k( 65) = ( -0.0566592 0.0566592 0.4873331), wk = 0.0029586 k( 66) = ( -0.0629926 0.0629926 0.4809997), wk = 0.0029586 k( 67) = ( -0.0693261 0.0693261 0.4746662), wk = 0.0029586 k( 68) = ( -0.0756595 0.0756595 0.4683328), wk = 0.0029586 k( 69) = ( -0.0819929 0.0819929 0.4619994), wk = 0.0029586 k( 70) = ( -0.0883264 0.0883264 0.4556659), wk = 0.0029586 k( 71) = ( -0.0946598 0.0946598 0.4493325), wk = 0.0029586 k( 72) = ( -0.1009933 0.1009933 0.4429990), wk = 0.0029586 k( 73) = ( -0.1073267 0.1073267 0.4366656), wk = 0.0029586 k( 74) = ( -0.1136601 0.1136601 0.4303322), wk = 0.0029586 k( 75) = ( -0.1199936 0.1199936 0.4239987), wk = 0.0029586 k( 76) = ( -0.1263270 0.1263270 0.4176653), wk = 0.0029586 k( 77) = ( -0.1326605 0.1326605 0.4113318), wk = 0.0029586 k( 78) = ( -0.1389939 0.1389939 0.4049984), wk = 0.0029586 k( 79) = ( -0.1453273 0.1453273 0.3986650), wk = 0.0029586 k( 80) = ( -0.1516608 0.1516608 0.3923315), wk = 0.0029586 k( 81) = ( -0.1579942 0.1579942 0.3859981), wk = 0.0029586 k( 82) = ( -0.1643277 0.1643277 0.3796646), wk = 0.0029586 k( 83) = ( -0.1706611 0.1706611 0.3733312), wk = 0.0029586 k( 84) = ( -0.1769945 0.1769945 0.3669978), wk = 0.0029586 k( 85) = ( -0.1833280 0.1833280 0.3606643), wk = 0.0029586 k( 86) = ( -0.1896614 0.1896614 0.3543309), wk = 0.0029586 k( 87) = ( -0.1959949 0.1959949 0.3479974), wk = 0.0029586 k( 88) = ( -0.2023283 0.2023283 0.3416640), wk = 0.0029586 k( 89) = ( -0.2086617 0.2086617 0.3353306), wk = 0.0029586 k( 90) = ( -0.2149952 0.2149952 0.3289971), wk = 0.0029586 k( 91) = ( -0.2213286 0.2213286 0.3226637), wk = 0.0029586 k( 92) = ( -0.2276621 0.2276621 0.3163302), wk = 0.0029586 k( 93) = ( -0.2339955 0.2339955 0.3099968), wk = 0.0029586 k( 94) = ( -0.2403290 0.2403290 0.3036633), wk = 0.0029586 k( 95) = ( -0.2466624 0.2466624 0.2973299), wk = 0.0029586 k( 96) = ( -0.2529958 0.2529958 0.2909965), wk = 0.0029586 k( 97) = ( -0.2593293 0.2593293 0.2846630), wk = 0.0029586 k( 98) = ( -0.2656627 0.2656627 0.2783296), wk = 0.0029586 k( 99) = ( -0.2719961 0.2719962 0.2719961), wk = 0.0029586 k( 100) = ( -0.2719961 0.2719962 0.2719961), wk = 0.0029586 k( 101) = ( -0.2656707 0.2656707 0.2656707), wk = 0.0029586 k( 102) = ( -0.2593452 0.2593452 0.2593452), wk = 0.0029586 k( 103) = ( -0.2530197 0.2530197 0.2530197), wk = 0.0029586 k( 104) = ( -0.2466942 0.2466942 0.2466942), wk = 0.0029586 k( 105) = ( -0.2403687 0.2403687 0.2403687), wk = 0.0029586 k( 106) = ( -0.2340432 0.2340432 0.2340432), wk = 0.0029586 k( 107) = ( -0.2277177 0.2277177 0.2277177), wk = 0.0029586 k( 108) = ( -0.2213922 0.2213922 0.2213922), wk = 0.0029586 k( 109) = ( -0.2150667 0.2150667 0.2150667), wk = 0.0029586 k( 110) = ( -0.2087412 0.2087412 0.2087412), wk = 0.0029586 k( 111) = ( -0.2024157 0.2024157 0.2024157), wk = 0.0029586 k( 112) = ( -0.1960902 0.1960903 0.1960902), wk = 0.0029586 k( 113) = ( -0.1897648 0.1897648 0.1897647), wk = 0.0029586 k( 114) = ( -0.1834393 0.1834393 0.1834393), wk = 0.0029586 k( 115) = ( -0.1771138 0.1771138 0.1771138), wk = 0.0029586 k( 116) = ( -0.1707883 0.1707883 0.1707883), wk = 0.0029586 k( 117) = ( -0.1644628 0.1644628 0.1644628), wk = 0.0029586 k( 118) = ( -0.1581373 0.1581373 0.1581373), wk = 0.0029586 k( 119) = ( -0.1518118 0.1518118 0.1518118), wk = 0.0029586 k( 120) = ( -0.1454863 0.1454863 0.1454863), wk = 0.0029586 k( 121) = ( -0.1391608 0.1391608 0.1391608), wk = 0.0029586 k( 122) = ( -0.1328353 0.1328353 0.1328353), wk = 0.0029586 k( 123) = ( -0.1265098 0.1265098 0.1265098), wk = 0.0029586 k( 124) = ( -0.1201843 0.1201843 0.1201843), wk = 0.0029586 k( 125) = ( -0.1138588 0.1138589 0.1138588), wk = 0.0029586 k( 126) = ( -0.1075334 0.1075334 0.1075334), wk = 0.0029586 k( 127) = ( -0.1012079 0.1012079 0.1012079), wk = 0.0029586 k( 128) = ( -0.0948824 0.0948824 0.0948824), wk = 0.0029586 k( 129) = ( -0.0885569 0.0885569 0.0885569), wk = 0.0029586 k( 130) = ( -0.0822314 0.0822314 0.0822314), wk = 0.0029586 k( 131) = ( -0.0759059 0.0759059 0.0759059), wk = 0.0029586 k( 132) = ( -0.0695804 0.0695804 0.0695804), wk = 0.0029586 k( 133) = ( -0.0632549 0.0632549 0.0632549), wk = 0.0029586 k( 134) = ( -0.0569294 0.0569294 0.0569294), wk = 0.0029586 k( 135) = ( -0.0506039 0.0506039 0.0506039), wk = 0.0029586 k( 136) = ( -0.0442784 0.0442784 0.0442784), wk = 0.0029586 k( 137) = ( -0.0379529 0.0379530 0.0379529), wk = 0.0029586 k( 138) = ( -0.0316275 0.0316275 0.0316275), wk = 0.0029586 k( 139) = ( -0.0253020 0.0253020 0.0253020), wk = 0.0029586 k( 140) = ( -0.0189765 0.0189765 0.0189765), wk = 0.0029586 k( 141) = ( -0.0126510 0.0126510 0.0126510), wk = 0.0029586 k( 142) = ( -0.0063255 0.0063255 0.0063255), wk = 0.0029586 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 145) = ( 0.0208333 0.0208333 -0.0208333), wk = 0.0029586 k( 146) = ( 0.0416667 0.0416667 -0.0416667), wk = 0.0029586 k( 147) = ( 0.0625000 0.0625000 -0.0625000), wk = 0.0029586 k( 148) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0029586 k( 149) = ( 0.1041667 0.1041667 -0.1041667), wk = 0.0029586 k( 150) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0029586 k( 151) = ( 0.1458333 0.1458333 -0.1458333), wk = 0.0029586 k( 152) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0029586 k( 153) = ( 0.1875000 0.1875000 -0.1875000), wk = 0.0029586 k( 154) = ( 0.2083333 0.2083333 -0.2083333), wk = 0.0029586 k( 155) = ( 0.2291667 0.2291667 -0.2291667), wk = 0.0029586 k( 156) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0029586 k( 157) = ( 0.2708333 0.2708333 -0.2708333), wk = 0.0029586 k( 158) = ( 0.2916667 0.2916667 -0.2916667), wk = 0.0029586 k( 159) = ( 0.3125000 0.3125000 -0.3125000), wk = 0.0029586 k( 160) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0029586 k( 161) = ( 0.3541667 0.3541667 -0.3541667), wk = 0.0029586 k( 162) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0029586 k( 163) = ( 0.3958333 0.3958333 -0.3958333), wk = 0.0029586 k( 164) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0029586 k( 165) = ( 0.4375000 0.4375000 -0.4375000), wk = 0.0029586 k( 166) = ( 0.4583333 0.4583333 -0.4583333), wk = 0.0029586 k( 167) = ( 0.4791667 0.4791667 -0.4791667), wk = 0.0029586 k( 168) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029586 k( 169) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029586 k( 170) = ( 0.4936666 0.5063334 -0.4936666), wk = 0.0029586 k( 171) = ( 0.4873331 0.5126669 -0.4873331), wk = 0.0029586 k( 172) = ( 0.4809997 0.5190003 -0.4809997), wk = 0.0029586 k( 173) = ( 0.4746662 0.5253338 -0.4746662), wk = 0.0029586 k( 174) = ( 0.4683328 0.5316672 -0.4683328), wk = 0.0029586 k( 175) = ( 0.4619994 0.5380006 -0.4619994), wk = 0.0029586 k( 176) = ( 0.4556659 0.5443341 -0.4556659), wk = 0.0029586 k( 177) = ( 0.4493325 0.5506675 -0.4493325), wk = 0.0029586 k( 178) = ( 0.4429990 0.5570010 -0.4429990), wk = 0.0029586 k( 179) = ( 0.4366656 0.5633344 -0.4366656), wk = 0.0029586 k( 180) = ( 0.4303322 0.5696678 -0.4303322), wk = 0.0029586 k( 181) = ( 0.4239987 0.5760013 -0.4239987), wk = 0.0029586 k( 182) = ( 0.4176653 0.5823347 -0.4176653), wk = 0.0029586 k( 183) = ( 0.4113318 0.5886682 -0.4113318), wk = 0.0029586 k( 184) = ( 0.4049984 0.5950016 -0.4049984), wk = 0.0029586 k( 185) = ( 0.3986650 0.6013351 -0.3986650), wk = 0.0029586 k( 186) = ( 0.3923315 0.6076685 -0.3923315), wk = 0.0029586 k( 187) = ( 0.3859981 0.6140019 -0.3859981), wk = 0.0029586 k( 188) = ( 0.3796646 0.6203354 -0.3796646), wk = 0.0029586 k( 189) = ( 0.3733312 0.6266688 -0.3733312), wk = 0.0029586 k( 190) = ( 0.3669978 0.6330022 -0.3669978), wk = 0.0029586 k( 191) = ( 0.3606643 0.6393357 -0.3606643), wk = 0.0029586 k( 192) = ( 0.3543309 0.6456691 -0.3543309), wk = 0.0029586 k( 193) = ( 0.3479974 0.6520026 -0.3479974), wk = 0.0029586 k( 194) = ( 0.3416640 0.6583360 -0.3416640), wk = 0.0029586 k( 195) = ( 0.3353306 0.6646695 -0.3353306), wk = 0.0029586 k( 196) = ( 0.3289971 0.6710029 -0.3289971), wk = 0.0029586 k( 197) = ( 0.3226637 0.6773363 -0.3226637), wk = 0.0029586 k( 198) = ( 0.3163302 0.6836698 -0.3163302), wk = 0.0029586 k( 199) = ( 0.3099968 0.6900032 -0.3099968), wk = 0.0029586 k( 200) = ( 0.3036633 0.6963367 -0.3036633), wk = 0.0029586 k( 201) = ( 0.2973299 0.7026701 -0.2973299), wk = 0.0029586 k( 202) = ( 0.2909965 0.7090035 -0.2909965), wk = 0.0029586 k( 203) = ( 0.2846630 0.7153370 -0.2846630), wk = 0.0029586 k( 204) = ( 0.2783296 0.7216704 -0.2783296), wk = 0.0029586 k( 205) = ( 0.2719961 0.7280039 -0.2719961), wk = 0.0029586 k( 206) = ( 0.2719961 0.7280039 -0.2719961), wk = 0.0029586 k( 207) = ( 0.2510734 0.7104651 -0.2510734), wk = 0.0029586 k( 208) = ( 0.2301506 0.6929263 -0.2301506), wk = 0.0029586 k( 209) = ( 0.2092278 0.6753876 -0.2092278), wk = 0.0029586 k( 210) = ( 0.1883050 0.6578488 -0.1883050), wk = 0.0029586 k( 211) = ( 0.1673822 0.6403101 -0.1673822), wk = 0.0029586 k( 212) = ( 0.1464595 0.6227713 -0.1464595), wk = 0.0029586 k( 213) = ( 0.1255367 0.6052326 -0.1255367), wk = 0.0029586 k( 214) = ( 0.1046139 0.5876938 -0.1046139), wk = 0.0029586 k( 215) = ( 0.0836911 0.5701550 -0.0836911), wk = 0.0029586 k( 216) = ( 0.0627683 0.5526163 -0.0627683), wk = 0.0029586 k( 217) = ( 0.0418456 0.5350775 -0.0418456), wk = 0.0029586 k( 218) = ( 0.0209228 0.5175388 -0.0209228), wk = 0.0029586 k( 219) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029586 k( 220) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029586 k( 221) = ( 0.0064103 0.4935897 0.0064103), wk = 0.0029586 k( 222) = ( 0.0128205 0.4871795 0.0128205), wk = 0.0029586 k( 223) = ( 0.0192308 0.4807692 0.0192308), wk = 0.0029586 k( 224) = ( 0.0256410 0.4743590 0.0256410), wk = 0.0029586 k( 225) = ( 0.0320513 0.4679487 0.0320513), wk = 0.0029586 k( 226) = ( 0.0384615 0.4615385 0.0384615), wk = 0.0029586 k( 227) = ( 0.0448718 0.4551282 0.0448718), wk = 0.0029586 k( 228) = ( 0.0512821 0.4487180 0.0512820), wk = 0.0029586 k( 229) = ( 0.0576923 0.4423077 0.0576923), wk = 0.0029586 k( 230) = ( 0.0641026 0.4358974 0.0641026), wk = 0.0029586 k( 231) = ( 0.0705128 0.4294872 0.0705128), wk = 0.0029586 k( 232) = ( 0.0769231 0.4230769 0.0769231), wk = 0.0029586 k( 233) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0029586 k( 234) = ( 0.0897436 0.4102564 0.0897436), wk = 0.0029586 k( 235) = ( 0.0961538 0.4038462 0.0961539), wk = 0.0029586 k( 236) = ( 0.1025641 0.3974359 0.1025641), wk = 0.0029586 k( 237) = ( 0.1089744 0.3910256 0.1089744), wk = 0.0029586 k( 238) = ( 0.1153846 0.3846154 0.1153846), wk = 0.0029586 k( 239) = ( 0.1217949 0.3782051 0.1217949), wk = 0.0029586 k( 240) = ( 0.1282051 0.3717949 0.1282051), wk = 0.0029586 k( 241) = ( 0.1346154 0.3653846 0.1346154), wk = 0.0029586 k( 242) = ( 0.1410256 0.3589744 0.1410256), wk = 0.0029586 k( 243) = ( 0.1474359 0.3525641 0.1474359), wk = 0.0029586 k( 244) = ( 0.1538461 0.3461538 0.1538462), wk = 0.0029586 k( 245) = ( 0.1602564 0.3397436 0.1602564), wk = 0.0029586 k( 246) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0029586 k( 247) = ( 0.1730769 0.3269231 0.1730769), wk = 0.0029586 k( 248) = ( 0.1794872 0.3205128 0.1794872), wk = 0.0029586 k( 249) = ( 0.1858974 0.3141026 0.1858974), wk = 0.0029586 k( 250) = ( 0.1923077 0.3076923 0.1923077), wk = 0.0029586 k( 251) = ( 0.1987180 0.3012821 0.1987179), wk = 0.0029586 k( 252) = ( 0.2051282 0.2948718 0.2051282), wk = 0.0029586 k( 253) = ( 0.2115385 0.2884615 0.2115385), wk = 0.0029586 k( 254) = ( 0.2179487 0.2820513 0.2179487), wk = 0.0029586 k( 255) = ( 0.2243590 0.2756410 0.2243590), wk = 0.0029586 k( 256) = ( 0.2307692 0.2692308 0.2307692), wk = 0.0029586 k( 257) = ( 0.2371795 0.2628205 0.2371795), wk = 0.0029586 k( 258) = ( 0.2435897 0.2564103 0.2435897), wk = 0.0029586 k( 259) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029586 k( 260) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029586 k( 261) = ( 0.2692308 0.2692308 0.2273852), wk = 0.0029586 k( 262) = ( 0.2884615 0.2884615 0.2047704), wk = 0.0029586 k( 263) = ( 0.3076923 0.3076923 0.1821556), wk = 0.0029586 k( 264) = ( 0.3269231 0.3269231 0.1595408), wk = 0.0029586 k( 265) = ( 0.3461538 0.3461538 0.1369260), wk = 0.0029586 k( 266) = ( 0.3653846 0.3653846 0.1143112), wk = 0.0029586 k( 267) = ( 0.3846154 0.3846154 0.0916965), wk = 0.0029586 k( 268) = ( 0.4038462 0.4038462 0.0690817), wk = 0.0029586 k( 269) = ( 0.4230769 0.4230769 0.0464669), wk = 0.0029586 k( 270) = ( 0.4423077 0.4423077 0.0238521), wk = 0.0029586 k( 271) = ( 0.4615385 0.4615385 0.0012373), wk = 0.0029586 k( 272) = ( 0.4807692 0.4807692 -0.0213775), wk = 0.0029586 k( 273) = ( 0.5000000 0.5000000 -0.0439923), wk = 0.0029586 k( 274) = ( 0.5000000 0.5000000 -0.0439923), wk = 0.0029586 k( 275) = ( 0.5000000 0.5000000 -0.0529336), wk = 0.0029586 k( 276) = ( 0.5000000 0.5000000 -0.0618750), wk = 0.0029586 k( 277) = ( 0.5000000 0.5000000 -0.0708163), wk = 0.0029586 k( 278) = ( 0.5000000 0.5000000 -0.0797576), wk = 0.0029586 k( 279) = ( 0.5000000 0.5000000 -0.0886989), wk = 0.0029586 k( 280) = ( 0.5000000 0.5000000 -0.0976403), wk = 0.0029586 k( 281) = ( 0.5000000 0.5000000 -0.1065816), wk = 0.0029586 k( 282) = ( 0.5000000 0.5000000 -0.1155229), wk = 0.0029586 k( 283) = ( 0.5000000 0.5000000 -0.1244642), wk = 0.0029586 k( 284) = ( 0.5000000 0.5000000 -0.1334056), wk = 0.0029586 k( 285) = ( 0.5000000 0.5000000 -0.1423469), wk = 0.0029586 k( 286) = ( 0.5000000 0.5000000 -0.1512882), wk = 0.0029586 k( 287) = ( 0.5000000 0.5000000 -0.1602296), wk = 0.0029586 k( 288) = ( 0.5000000 0.5000000 -0.1691709), wk = 0.0029586 k( 289) = ( 0.5000000 0.5000000 -0.1781122), wk = 0.0029586 k( 290) = ( 0.5000000 0.5000000 -0.1870535), wk = 0.0029586 k( 291) = ( 0.5000000 0.5000000 -0.1959949), wk = 0.0029586 k( 292) = ( 0.5000000 0.5000000 -0.2049362), wk = 0.0029586 k( 293) = ( 0.5000000 0.5000000 -0.2138775), wk = 0.0029586 k( 294) = ( 0.5000000 0.5000000 -0.2228189), wk = 0.0029586 k( 295) = ( 0.5000000 0.5000000 -0.2317602), wk = 0.0029586 k( 296) = ( 0.5000000 0.5000000 -0.2407015), wk = 0.0029586 k( 297) = ( 0.5000000 0.5000000 -0.2496428), wk = 0.0029586 k( 298) = ( 0.5000000 0.5000000 -0.2585842), wk = 0.0029586 k( 299) = ( 0.5000000 0.5000000 -0.2675255), wk = 0.0029586 k( 300) = ( 0.5000000 0.5000000 -0.2764668), wk = 0.0029586 k( 301) = ( 0.5000000 0.5000000 -0.2854081), wk = 0.0029586 k( 302) = ( 0.5000000 0.5000000 -0.2943495), wk = 0.0029586 k( 303) = ( 0.5000000 0.5000000 -0.3032908), wk = 0.0029586 k( 304) = ( 0.5000000 0.5000000 -0.3122321), wk = 0.0029586 k( 305) = ( 0.5000000 0.5000000 -0.3211735), wk = 0.0029586 k( 306) = ( 0.5000000 0.5000000 -0.3301148), wk = 0.0029586 k( 307) = ( 0.5000000 0.5000000 -0.3390561), wk = 0.0029586 k( 308) = ( 0.5000000 0.5000000 -0.3479974), wk = 0.0029586 k( 309) = ( 0.5000000 0.5000000 -0.3569388), wk = 0.0029586 k( 310) = ( 0.5000000 0.5000000 -0.3658801), wk = 0.0029586 k( 311) = ( 0.5000000 0.5000000 -0.3748214), wk = 0.0029586 k( 312) = ( 0.5000000 0.5000000 -0.3837627), wk = 0.0029586 k( 313) = ( 0.5000000 0.5000000 -0.3927041), wk = 0.0029586 k( 314) = ( 0.5000000 0.5000000 -0.4016454), wk = 0.0029586 k( 315) = ( 0.5000000 0.5000000 -0.4105867), wk = 0.0029586 k( 316) = ( 0.5000000 0.5000000 -0.4195281), wk = 0.0029586 k( 317) = ( 0.5000000 0.5000000 -0.4284694), wk = 0.0029586 k( 318) = ( 0.5000000 0.5000000 -0.4374107), wk = 0.0029586 k( 319) = ( 0.5000000 0.5000000 -0.4463520), wk = 0.0029586 k( 320) = ( 0.5000000 0.5000000 -0.4552934), wk = 0.0029586 k( 321) = ( 0.5000000 0.5000000 -0.4642347), wk = 0.0029586 k( 322) = ( 0.5000000 0.5000000 -0.4731760), wk = 0.0029586 k( 323) = ( 0.5000000 0.5000000 -0.4821173), wk = 0.0029586 k( 324) = ( 0.5000000 0.5000000 -0.4910587), wk = 0.0029586 k( 325) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029586 k( 326) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029586 k( 327) = ( 0.0208333 0.0208333 0.4791667), wk = 0.0029586 k( 328) = ( 0.0416667 0.0416667 0.4583333), wk = 0.0029586 k( 329) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0029586 k( 330) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0029586 k( 331) = ( 0.1041667 0.1041667 0.3958333), wk = 0.0029586 k( 332) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0029586 k( 333) = ( 0.1458333 0.1458333 0.3541667), wk = 0.0029586 k( 334) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0029586 k( 335) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0029586 k( 336) = ( 0.2083333 0.2083333 0.2916667), wk = 0.0029586 k( 337) = ( 0.2291667 0.2291667 0.2708333), wk = 0.0029586 k( 338) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029586 Dense grid: 96653 G-vectors FFT dimensions: ( 90, 90, 90) Smooth grid: 46191 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.21 Mb ( 336, 40) NL pseudopotentials 0.23 Mb ( 168, 90) Each V/rho on FFT grid 0.37 Mb ( 24300) Each G-vector array 0.02 Mb ( 2684) G-vector shells 0.01 Mb ( 1228) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.82 Mb ( 336, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.11 Mb ( 90, 2, 40) Check: negative/imaginary core charge= -0.000008 0.000000 The potential is recalculated from file : ./K2MgH4.save/charge-density.dat Starting wfc are 50 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.0 secs Computing kpt #: 2 total cpu time spent up to now is 3.6 secs Computing kpt #: 3 total cpu time spent up to now is 4.3 secs Computing kpt #: 4 total cpu time spent up to now is 5.0 secs Computing kpt #: 5 total cpu time spent up to now is 5.7 secs Computing kpt #: 6 total cpu time spent up to now is 6.3 secs Computing kpt #: 7 total cpu time spent up to now is 7.0 secs Computing kpt #: 8 total cpu time spent up to now is 7.7 secs Computing kpt #: 9 total cpu time spent up to now is 8.5 secs Computing kpt #: 10 total cpu time spent up to now is 9.2 secs Computing kpt #: 11 total cpu time spent up to now is 10.0 secs Computing kpt #: 12 total cpu time spent up to now is 10.7 secs Computing kpt #: 13 total cpu time spent up to now is 11.4 secs Computing kpt #: 14 total cpu time spent up to now is 12.2 secs Computing kpt #: 15 total cpu time spent up to now is 13.0 secs Computing kpt #: 16 total cpu time spent up to now is 13.8 secs Computing kpt #: 17 total cpu time spent up to now is 14.8 secs Computing kpt #: 18 total cpu time spent up to now is 15.9 secs Computing kpt #: 19 total cpu time spent up to now is 17.4 secs Computing kpt #: 20 total cpu time spent up to now is 18.3 secs Computing kpt #: 21 total cpu time spent up to now is 19.1 secs Computing kpt #: 22 total cpu time spent up to now is 19.9 secs Computing kpt #: 23 total cpu time spent up to now is 20.6 secs Computing kpt #: 24 total cpu time spent up to now is 21.3 secs Computing kpt #: 25 total cpu time spent up to now is 22.0 secs Computing kpt #: 26 total cpu time spent up to now is 22.7 secs Computing kpt #: 27 total cpu time spent up to now is 23.3 secs Computing kpt #: 28 total cpu time spent up to now is 24.0 secs Computing kpt #: 29 total cpu time spent up to now is 24.7 secs Computing kpt #: 30 total cpu time spent up to now is 25.4 secs Computing kpt #: 31 total cpu time spent up to now is 26.0 secs Computing kpt #: 32 total cpu time spent up to now is 26.6 secs Computing kpt #: 33 total cpu time spent up to now is 27.2 secs Computing kpt #: 34 total cpu time spent up to now is 27.8 secs Computing kpt #: 35 total cpu time spent up to now is 28.4 secs Computing kpt #: 36 total cpu time spent up to now is 29.1 secs Computing kpt #: 37 total cpu time spent up to now is 29.8 secs Computing kpt #: 38 total cpu time spent up to now is 30.4 secs Computing kpt #: 39 total cpu time spent up to now is 31.1 secs Computing kpt #: 40 total cpu time spent up to now is 31.8 secs Computing kpt #: 41 total cpu time spent up to now is 32.5 secs Computing kpt #: 42 total cpu time spent up to now is 33.2 secs Computing kpt #: 43 total cpu time spent up to now is 33.9 secs Computing kpt #: 44 total cpu time spent up to now is 34.6 secs Computing kpt #: 45 total cpu time spent up to now is 35.2 secs Computing kpt #: 46 total cpu time spent up to now is 35.7 secs Computing kpt #: 47 total cpu time spent up to now is 36.3 secs Computing kpt #: 48 total cpu time spent up to now is 36.8 secs Computing kpt #: 49 total cpu time spent up to now is 37.4 secs Computing kpt #: 50 total cpu time spent up to now is 37.9 secs Computing kpt #: 51 total cpu time spent up to now is 38.4 secs Computing kpt #: 52 total cpu time spent up to now is 38.9 secs Computing kpt #: 53 total cpu time spent up to now is 39.5 secs Computing kpt #: 54 total cpu time spent up to now is 40.0 secs Computing kpt #: 55 total cpu time spent up to now is 40.5 secs Computing kpt #: 56 total cpu time spent up to now is 41.1 secs Computing kpt #: 57 total cpu time spent up to now is 41.7 secs Computing kpt #: 58 total cpu time spent up to now is 42.2 secs Computing kpt #: 59 total cpu time spent up to now is 42.8 secs Computing kpt #: 60 total cpu time spent up to now is 43.3 secs Computing kpt #: 61 total cpu time spent up to now is 43.8 secs Computing kpt #: 62 total cpu time spent up to now is 44.4 secs Computing kpt #: 63 total cpu time spent up to now is 44.9 secs Computing kpt #: 64 total cpu time spent up to now is 45.5 secs Computing kpt #: 65 total cpu time spent up to now is 46.1 secs Computing kpt #: 66 total cpu time spent up to now is 46.6 secs Computing kpt #: 67 total cpu time spent up to now is 47.1 secs Computing kpt #: 68 total cpu time spent up to now is 47.7 secs Computing kpt #: 69 total cpu time spent up to now is 48.2 secs Computing kpt #: 70 total cpu time spent up to now is 48.7 secs Computing kpt #: 71 total cpu time spent up to now is 49.3 secs Computing kpt #: 72 total cpu time spent up to now is 49.8 secs Computing kpt #: 73 total cpu time spent up to now is 50.4 secs Computing kpt #: 74 total cpu time spent up to now is 50.9 secs Computing kpt #: 75 total cpu time spent up to now is 51.5 secs Computing kpt #: 76 total cpu time spent up to now is 52.0 secs Computing kpt #: 77 total cpu time spent up to now is 52.6 secs Computing kpt #: 78 total cpu time spent up to now is 53.1 secs Computing kpt #: 79 total cpu time spent up to now is 53.8 secs Computing kpt #: 80 total cpu time spent up to now is 54.4 secs Computing kpt #: 81 total cpu time spent up to now is 54.9 secs Computing kpt #: 82 total cpu time spent up to now is 55.6 secs Computing kpt #: 83 total cpu time spent up to now is 56.3 secs Computing kpt #: 84 total cpu time spent up to now is 57.0 secs Computing kpt #: 85 total cpu time spent up to now is 57.7 secs Computing kpt #: 86 total cpu time spent up to now is 58.5 secs Computing kpt #: 87 total cpu time spent up to now is 59.2 secs Computing kpt #: 88 total cpu time spent up to now is 60.0 secs Computing kpt #: 89 total cpu time spent up to now is 60.7 secs Computing kpt #: 90 total cpu time spent up to now is 61.4 secs Computing kpt #: 91 total cpu time spent up to now is 62.1 secs Computing kpt #: 92 total cpu time spent up to now is 62.8 secs Computing kpt #: 93 total cpu time spent up to now is 63.5 secs Computing kpt #: 94 total cpu time spent up to now is 64.3 secs Computing kpt #: 95 total cpu time spent up to now is 65.0 secs Computing kpt #: 96 total cpu time spent up to now is 65.7 secs Computing kpt #: 97 total cpu time spent up to now is 66.4 secs Computing kpt #: 98 total cpu time spent up to now is 67.1 secs Computing kpt #: 99 total cpu time spent up to now is 67.8 secs Computing kpt #: 100 total cpu time spent up to now is 68.6 secs Computing kpt #: 101 total cpu time spent up to now is 69.3 secs Computing kpt #: 102 total cpu time spent up to now is 70.0 secs Computing kpt #: 103 total cpu time spent up to now is 70.7 secs Computing kpt #: 104 total cpu time spent up to now is 71.4 secs Computing kpt #: 105 total cpu time spent up to now is 72.1 secs Computing kpt #: 106 total cpu time spent up to now is 72.8 secs Computing kpt #: 107 total cpu time spent up to now is 73.6 secs Computing kpt #: 108 total cpu time spent up to now is 74.3 secs Computing kpt #: 109 total cpu time spent up to now is 75.0 secs Computing kpt #: 110 total cpu time spent up to now is 75.7 secs Computing kpt #: 111 total cpu time spent up to now is 76.4 secs Computing kpt #: 112 total cpu time spent up to now is 77.1 secs Computing kpt #: 113 total cpu time spent up to now is 77.9 secs Computing kpt #: 114 total cpu time spent up to now is 78.6 secs Computing kpt #: 115 total cpu time spent up to now is 79.3 secs Computing kpt #: 116 total cpu time spent up to now is 80.1 secs Computing kpt #: 117 total cpu time spent up to now is 80.8 secs Computing kpt #: 118 total cpu time spent up to now is 81.5 secs Computing kpt #: 119 total cpu time spent up to now is 82.3 secs Computing kpt #: 120 total cpu time spent up to now is 83.0 secs Computing kpt #: 121 total cpu time spent up to now is 83.9 secs Computing kpt #: 122 total cpu time spent up to now is 84.7 secs Computing kpt #: 123 total cpu time spent up to now is 85.5 secs Computing kpt #: 124 total cpu time spent up to now is 86.3 secs Computing kpt #: 125 total cpu time spent up to now is 87.0 secs Computing kpt #: 126 total cpu time spent up to now is 87.8 secs Computing kpt #: 127 total cpu time spent up to now is 88.5 secs Computing kpt #: 128 total cpu time spent up to now is 89.2 secs Computing kpt #: 129 total cpu time spent up to now is 89.9 secs Computing kpt #: 130 total cpu time spent up to now is 90.6 secs Computing kpt #: 131 total cpu time spent up to now is 91.4 secs Computing kpt #: 132 total cpu time spent up to now is 92.1 secs Computing kpt #: 133 total cpu time spent up to now is 92.9 secs Computing kpt #: 134 total cpu time spent up to now is 93.6 secs Computing kpt #: 135 total cpu time spent up to now is 94.3 secs Computing kpt #: 136 total cpu time spent up to now is 94.9 secs Computing kpt #: 137 total cpu time spent up to now is 95.5 secs Computing kpt #: 138 total cpu time spent up to now is 96.2 secs Computing kpt #: 139 total cpu time spent up to now is 96.9 secs Computing kpt #: 140 total cpu time spent up to now is 97.6 secs Computing kpt #: 141 total cpu time spent up to now is 98.2 secs Computing kpt #: 142 total cpu time spent up to now is 98.9 secs Computing kpt #: 143 total cpu time spent up to now is 99.6 secs Computing kpt #: 144 total cpu time spent up to now is 100.3 secs Computing kpt #: 145 total cpu time spent up to now is 100.9 secs Computing kpt #: 146 total cpu time spent up to now is 101.4 secs Computing kpt #: 147 total cpu time spent up to now is 102.0 secs Computing kpt #: 148 total cpu time spent up to now is 102.7 secs Computing kpt #: 149 total cpu time spent up to now is 103.4 secs Computing kpt #: 150 total cpu time spent up to now is 104.1 secs Computing kpt #: 151 total cpu time spent up to now is 104.8 secs Computing kpt #: 152 total cpu time spent up to now is 105.4 secs Computing kpt #: 153 total cpu time spent up to now is 106.0 secs Computing kpt #: 154 total cpu time spent up to now is 106.7 secs Computing kpt #: 155 total cpu time spent up to now is 107.4 secs Computing kpt #: 156 total cpu time spent up to now is 107.9 secs Computing kpt #: 157 total cpu time spent up to now is 108.5 secs Computing kpt #: 158 total cpu time spent up to now is 109.2 secs Computing kpt #: 159 total cpu time spent up to now is 109.9 secs Computing kpt #: 160 total cpu time spent up to now is 110.5 secs Computing kpt #: 161 total cpu time spent up to now is 111.2 secs Computing kpt #: 162 total cpu time spent up to now is 111.9 secs Computing kpt #: 163 total cpu time spent up to now is 112.6 secs Computing kpt #: 164 total cpu time spent up to now is 113.3 secs Computing kpt #: 165 total cpu time spent up to now is 114.0 secs Computing kpt #: 166 total cpu time spent up to now is 114.8 secs Computing kpt #: 167 total cpu time spent up to now is 115.5 secs Computing kpt #: 168 total cpu time spent up to now is 116.1 secs Computing kpt #: 169 total cpu time spent up to now is 116.8 secs Computing kpt #: 170 total cpu time spent up to now is 117.5 secs Computing kpt #: 171 total cpu time spent up to now is 118.2 secs Computing kpt #: 172 total cpu time spent up to now is 118.9 secs Computing kpt #: 173 total cpu time spent up to now is 119.6 secs Computing kpt #: 174 total cpu time spent up to now is 120.3 secs Computing kpt #: 175 total cpu time spent up to now is 121.0 secs Computing kpt #: 176 total cpu time spent up to now is 121.7 secs Computing kpt #: 177 total cpu time spent up to now is 122.5 secs Computing kpt #: 178 total cpu time spent up to now is 123.2 secs Computing kpt #: 179 total cpu time spent up to now is 123.9 secs Computing kpt #: 180 total cpu time spent up to now is 124.6 secs Computing kpt #: 181 total cpu time spent up to now is 125.3 secs Computing kpt #: 182 total cpu time spent up to now is 126.1 secs Computing kpt #: 183 total cpu time spent up to now is 126.8 secs Computing kpt #: 184 total cpu time spent up to now is 127.6 secs Computing kpt #: 185 total cpu time spent up to now is 128.3 secs Computing kpt #: 186 total cpu time spent up to now is 129.0 secs Computing kpt #: 187 total cpu time spent up to now is 129.8 secs Computing kpt #: 188 total cpu time spent up to now is 130.5 secs Computing kpt #: 189 total cpu time spent up to now is 131.2 secs Computing kpt #: 190 total cpu time spent up to now is 132.0 secs Computing kpt #: 191 total cpu time spent up to now is 132.7 secs Computing kpt #: 192 total cpu time spent up to now is 133.4 secs Computing kpt #: 193 total cpu time spent up to now is 134.1 secs Computing kpt #: 194 total cpu time spent up to now is 134.9 secs Computing kpt #: 195 total cpu time spent up to now is 135.6 secs Computing kpt #: 196 total cpu time spent up to now is 136.3 secs Computing kpt #: 197 total cpu time spent up to now is 137.1 secs Computing kpt #: 198 total cpu time spent up to now is 137.8 secs Computing kpt #: 199 total cpu time spent up to now is 138.6 secs Computing kpt #: 200 total cpu time spent up to now is 139.3 secs Computing kpt #: 201 total cpu time spent up to now is 140.0 secs Computing kpt #: 202 total cpu time spent up to now is 140.7 secs Computing kpt #: 203 total cpu time spent up to now is 141.5 secs Computing kpt #: 204 total cpu time spent up to now is 142.2 secs Computing kpt #: 205 total cpu time spent up to now is 142.9 secs Computing kpt #: 206 total cpu time spent up to now is 143.6 secs Computing kpt #: 207 total cpu time spent up to now is 144.3 secs Computing kpt #: 208 total cpu time spent up to now is 145.1 secs Computing kpt #: 209 total cpu time spent up to now is 145.8 secs Computing kpt #: 210 total cpu time spent up to now is 146.5 secs Computing kpt #: 211 total cpu time spent up to now is 147.2 secs Computing kpt #: 212 total cpu time spent up to now is 147.9 secs Computing kpt #: 213 total cpu time spent up to now is 148.6 secs Computing kpt #: 214 total cpu time spent up to now is 149.3 secs Computing kpt #: 215 total cpu time spent up to now is 150.0 secs Computing kpt #: 216 total cpu time spent up to now is 150.7 secs Computing kpt #: 217 total cpu time spent up to now is 151.4 secs Computing kpt #: 218 total cpu time spent up to now is 152.1 secs Computing kpt #: 219 total cpu time spent up to now is 152.8 secs Computing kpt #: 220 total cpu time spent up to now is 153.5 secs Computing kpt #: 221 total cpu time spent up to now is 154.2 secs Computing kpt #: 222 total cpu time spent up to now is 155.0 secs Computing kpt #: 223 total cpu time spent up to now is 155.7 secs Computing kpt #: 224 total cpu time spent up to now is 156.6 secs Computing kpt #: 225 total cpu time spent up to now is 157.6 secs Computing kpt #: 226 total cpu time spent up to now is 158.3 secs Computing kpt #: 227 total cpu time spent up to now is 159.0 secs Computing kpt #: 228 total cpu time spent up to now is 159.7 secs Computing kpt #: 229 total cpu time spent up to now is 160.4 secs Computing kpt #: 230 total cpu time spent up to now is 161.1 secs Computing kpt #: 231 total cpu time spent up to now is 161.8 secs Computing kpt #: 232 total cpu time spent up to now is 162.5 secs Computing kpt #: 233 total cpu time spent up to now is 163.2 secs Computing kpt #: 234 total cpu time spent up to now is 163.7 secs Computing kpt #: 235 total cpu time spent up to now is 164.3 secs Computing kpt #: 236 total cpu time spent up to now is 164.9 secs Computing kpt #: 237 total cpu time spent up to now is 165.5 secs Computing kpt #: 238 total cpu time spent up to now is 166.0 secs Computing kpt #: 239 total cpu time spent up to now is 166.6 secs Computing kpt #: 240 total cpu time spent up to now is 167.2 secs Computing kpt #: 241 total cpu time spent up to now is 167.7 secs Computing kpt #: 242 total cpu time spent up to now is 168.3 secs Computing kpt #: 243 total cpu time spent up to now is 168.9 secs Computing kpt #: 244 total cpu time spent up to now is 170.2 secs Computing kpt #: 245 total cpu time spent up to now is 170.8 secs Computing kpt #: 246 total cpu time spent up to now is 171.4 secs Computing kpt #: 247 total cpu time spent up to now is 171.9 secs Computing kpt #: 248 total cpu time spent up to now is 172.4 secs Computing kpt #: 249 total cpu time spent up to now is 173.0 secs Computing kpt #: 250 total cpu time spent up to now is 173.5 secs Computing kpt #: 251 total cpu time spent up to now is 174.1 secs Computing kpt #: 252 total cpu time spent up to now is 174.6 secs Computing kpt #: 253 total cpu time spent up to now is 175.2 secs Computing kpt #: 254 total cpu time spent up to now is 175.7 secs Computing kpt #: 255 total cpu time spent up to now is 176.3 secs Computing kpt #: 256 total cpu time spent up to now is 176.8 secs Computing kpt #: 257 total cpu time spent up to now is 177.4 secs Computing kpt #: 258 total cpu time spent up to now is 177.9 secs Computing kpt #: 259 total cpu time spent up to now is 178.5 secs Computing kpt #: 260 total cpu time spent up to now is 179.0 secs Computing kpt #: 261 total cpu time spent up to now is 179.5 secs Computing kpt #: 262 total cpu time spent up to now is 180.1 secs Computing kpt #: 263 total cpu time spent up to now is 180.6 secs Computing kpt #: 264 total cpu time spent up to now is 181.2 secs Computing kpt #: 265 total cpu time spent up to now is 181.8 secs Computing kpt #: 266 total cpu time spent up to now is 182.3 secs Computing kpt #: 267 total cpu time spent up to now is 182.9 secs Computing kpt #: 268 total cpu time spent up to now is 183.5 secs Computing kpt #: 269 total cpu time spent up to now is 184.0 secs Computing kpt #: 270 total cpu time spent up to now is 184.6 secs Computing kpt #: 271 total cpu time spent up to now is 185.1 secs Computing kpt #: 272 total cpu time spent up to now is 185.6 secs Computing kpt #: 273 total cpu time spent up to now is 186.2 secs Computing kpt #: 274 total cpu time spent up to now is 186.7 secs Computing kpt #: 275 total cpu time spent up to now is 187.3 secs Computing kpt #: 276 total cpu time spent up to now is 187.8 secs Computing kpt #: 277 total cpu time spent up to now is 188.4 secs Computing kpt #: 278 total cpu time spent up to now is 188.9 secs Computing kpt #: 279 total cpu time spent up to now is 189.4 secs Computing kpt #: 280 total cpu time spent up to now is 190.0 secs Computing kpt #: 281 total cpu time spent up to now is 190.5 secs Computing kpt #: 282 total cpu time spent up to now is 191.0 secs Computing kpt #: 283 total cpu time spent up to now is 191.6 secs Computing kpt #: 284 total cpu time spent up to now is 192.1 secs Computing kpt #: 285 total cpu time spent up to now is 192.6 secs Computing kpt #: 286 total cpu time spent up to now is 193.2 secs Computing kpt #: 287 total cpu time spent up to now is 193.7 secs Computing kpt #: 288 total cpu time spent up to now is 194.3 secs Computing kpt #: 289 total cpu time spent up to now is 194.9 secs Computing kpt #: 290 total cpu time spent up to now is 195.4 secs Computing kpt #: 291 total cpu time spent up to now is 196.1 secs Computing kpt #: 292 total cpu time spent up to now is 196.8 secs Computing kpt #: 293 total cpu time spent up to now is 197.4 secs Computing kpt #: 294 total cpu time spent up to now is 198.2 secs Computing kpt #: 295 total cpu time spent up to now is 199.0 secs Computing kpt #: 296 total cpu time spent up to now is 199.7 secs Computing kpt #: 297 total cpu time spent up to now is 200.4 secs Computing kpt #: 298 total cpu time spent up to now is 201.1 secs Computing kpt #: 299 total cpu time spent up to now is 201.9 secs Computing kpt #: 300 total cpu time spent up to now is 202.6 secs Computing kpt #: 301 total cpu time spent up to now is 203.3 secs Computing kpt #: 302 total cpu time spent up to now is 204.1 secs Computing kpt #: 303 total cpu time spent up to now is 204.8 secs Computing kpt #: 304 total cpu time spent up to now is 206.0 secs Computing kpt #: 305 total cpu time spent up to now is 206.8 secs Computing kpt #: 306 total cpu time spent up to now is 207.5 secs Computing kpt #: 307 total cpu time spent up to now is 208.3 secs Computing kpt #: 308 total cpu time spent up to now is 209.0 secs Computing kpt #: 309 total cpu time spent up to now is 209.8 secs Computing kpt #: 310 total cpu time spent up to now is 210.5 secs Computing kpt #: 311 total cpu time spent up to now is 211.2 secs Computing kpt #: 312 total cpu time spent up to now is 212.0 secs Computing kpt #: 313 total cpu time spent up to now is 212.8 secs Computing kpt #: 314 total cpu time spent up to now is 213.5 secs Computing kpt #: 315 total cpu time spent up to now is 214.3 secs Computing kpt #: 316 total cpu time spent up to now is 214.9 secs Computing kpt #: 317 total cpu time spent up to now is 215.7 secs Computing kpt #: 318 total cpu time spent up to now is 216.3 secs Computing kpt #: 319 total cpu time spent up to now is 217.0 secs Computing kpt #: 320 total cpu time spent up to now is 217.7 secs Computing kpt #: 321 total cpu time spent up to now is 218.4 secs Computing kpt #: 322 total cpu time spent up to now is 219.1 secs Computing kpt #: 323 total cpu time spent up to now is 219.8 secs Computing kpt #: 324 total cpu time spent up to now is 220.5 secs Computing kpt #: 325 total cpu time spent up to now is 221.2 secs Computing kpt #: 326 total cpu time spent up to now is 221.8 secs Computing kpt #: 327 total cpu time spent up to now is 222.3 secs Computing kpt #: 328 total cpu time spent up to now is 222.9 secs Computing kpt #: 329 total cpu time spent up to now is 223.4 secs Computing kpt #: 330 total cpu time spent up to now is 223.9 secs Computing kpt #: 331 total cpu time spent up to now is 224.5 secs Computing kpt #: 332 total cpu time spent up to now is 225.0 secs Computing kpt #: 333 total cpu time spent up to now is 225.6 secs Computing kpt #: 334 total cpu time spent up to now is 226.1 secs Computing kpt #: 335 total cpu time spent up to now is 226.6 secs Computing kpt #: 336 total cpu time spent up to now is 227.2 secs Computing kpt #: 337 total cpu time spent up to now is 227.7 secs Computing kpt #: 338 total cpu time spent up to now is 228.3 secs ethr = 3.13E-08, avg # of iterations = 23.9 total cpu time spent up to now is 228.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5807 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0273 -38.0273 -38.0109 -38.0109 -26.7518 -26.7518 -26.7253 -26.7253 -10.4995 -10.4995 -10.3412 -10.3412 -10.2187 -10.2187 -10.1133 -10.1133 -10.0747 -10.0747 -10.0718 -10.0718 -2.2281 -2.2281 0.7127 0.7127 1.6927 1.6927 2.3738 2.3738 7.4145 7.4145 7.9629 7.9629 8.1397 8.1397 8.1540 8.1540 k = 0.0000 0.0000 0.0235 ( 5815 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0273 -38.0273 -38.0109 -38.0109 -26.7518 -26.7518 -26.7253 -26.7253 -10.4994 -10.4994 -10.3413 -10.3413 -10.2187 -10.2187 -10.1134 -10.1134 -10.0747 -10.0747 -10.0719 -10.0719 -2.2267 -2.2267 0.7137 0.7137 1.6932 1.6932 2.3716 2.3716 7.4026 7.4026 7.9620 7.9620 8.1471 8.1471 8.1631 8.1631 k = 0.0000 0.0000 0.0470 ( 5803 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0273 -38.0273 -38.0109 -38.0109 -26.7517 -26.7517 -26.7253 -26.7253 -10.4993 -10.4993 -10.3417 -10.3417 -10.2189 -10.2189 -10.1140 -10.1140 -10.0747 -10.0747 -10.0724 -10.0724 -2.2225 -2.2225 0.7167 0.7167 1.6950 1.6950 2.3649 2.3649 7.3691 7.3691 7.9593 7.9593 8.1633 8.1633 8.1942 8.1942 k = 0.0000 0.0000 0.0705 ( 5811 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0273 -38.0273 -38.0109 -38.0109 -26.7516 -26.7516 -26.7252 -26.7252 -10.4991 -10.4991 -10.3425 -10.3425 -10.2191 -10.2191 -10.1149 -10.1149 -10.0748 -10.0748 -10.0732 -10.0732 -2.2154 -2.2154 0.7216 0.7216 1.6980 1.6980 2.3538 2.3538 7.3187 7.3187 7.9549 7.9549 8.1866 8.1866 8.2440 8.2440 k = 0.0000 0.0000 0.0940 ( 5805 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0273 -38.0273 -38.0109 -38.0109 -26.7514 -26.7514 -26.7252 -26.7252 -10.4988 -10.4988 -10.3435 -10.3435 -10.2194 -10.2194 -10.1161 -10.1161 -10.0752 -10.0752 -10.0740 -10.0740 -2.2055 -2.2055 0.7285 0.7285 1.7021 1.7021 2.3385 2.3385 7.2566 7.2566 7.9489 7.9489 8.2182 8.2182 8.3062 8.3062 k = 0.0000 0.0000 0.1175 ( 5807 PWs) bands (ev): -71.3659 -71.3659 -38.3077 -38.3077 -38.0273 -38.0273 -38.0109 -38.0109 -26.7512 -26.7512 -26.7251 -26.7251 -10.4984 -10.4984 -10.3447 -10.3447 -10.2198 -10.2198 -10.1176 -10.1176 -10.0765 -10.0765 -10.0742 -10.0742 -2.1929 -2.1929 0.7372 0.7372 1.7073 1.7073 2.3191 2.3191 7.1868 7.1868 7.9413 7.9413 8.2583 8.2583 8.3765 8.3765 k = 0.0000 0.0000 0.1410 ( 5803 PWs) bands (ev): -71.3659 -71.3659 -38.3077 -38.3077 -38.0273 -38.0273 -38.0109 -38.0109 -26.7510 -26.7510 -26.7250 -26.7250 -10.4979 -10.4979 -10.3463 -10.3463 -10.2202 -10.2202 -10.1194 -10.1194 -10.0784 -10.0784 -10.0743 -10.0743 -2.1774 -2.1774 0.7478 0.7478 1.7135 1.7135 2.2957 2.2957 7.1119 7.1119 7.9321 7.9321 8.3067 8.3067 8.4522 8.4522 k = 0.0000 0.0000 0.1645 ( 5799 PWs) bands (ev): -71.3659 -71.3659 -38.3077 -38.3077 -38.0273 -38.0273 -38.0109 -38.0109 -26.7506 -26.7506 -26.7249 -26.7249 -10.4973 -10.4973 -10.3481 -10.3481 -10.2208 -10.2208 -10.1215 -10.1215 -10.0806 -10.0806 -10.0743 -10.0743 -2.1593 -2.1593 0.7600 0.7600 1.7207 1.7207 2.2688 2.2688 7.0339 7.0339 7.9217 7.9217 8.3631 8.3631 8.5312 8.5312 k = 0.0000 0.0000 0.1880 ( 5799 PWs) bands (ev): -71.3659 -71.3659 -38.3077 -38.3077 -38.0274 -38.0274 -38.0109 -38.0109 -26.7503 -26.7503 -26.7248 -26.7248 -10.4967 -10.4967 -10.3501 -10.3501 -10.2214 -10.2214 -10.1238 -10.1238 -10.0831 -10.0831 -10.0744 -10.0744 -2.1384 -2.1384 0.7739 0.7739 1.7287 1.7287 2.2384 2.2384 6.9542 6.9542 7.9099 7.9099 8.4274 8.4274 8.6123 8.6123 k = 0.0000 0.0000 0.2115 ( 5793 PWs) bands (ev): -71.3659 -71.3659 -38.3077 -38.3077 -38.0274 -38.0274 -38.0109 -38.0109 -26.7499 -26.7499 -26.7246 -26.7246 -10.4960 -10.4960 -10.3524 -10.3524 -10.2221 -10.2221 -10.1264 -10.1264 -10.0860 -10.0860 -10.0746 -10.0746 -2.1149 -2.1149 0.7894 0.7894 1.7374 1.7374 2.2049 2.2049 6.8735 6.8735 7.8971 7.8971 8.4992 8.4992 8.6947 8.6947 k = 0.0000 0.0000 0.2350 ( 5797 PWs) bands (ev): -71.3659 -71.3659 -38.3077 -38.3077 -38.0274 -38.0274 -38.0109 -38.0109 -26.7494 -26.7494 -26.7245 -26.7245 -10.4953 -10.4953 -10.3549 -10.3549 -10.2228 -10.2228 -10.1291 -10.1291 -10.0891 -10.0891 -10.0748 -10.0748 -2.0887 -2.0887 0.8062 0.8062 1.7468 1.7468 2.1685 2.1685 6.7927 6.7927 7.8833 7.8833 8.5781 8.5781 8.7777 8.7777 k = 0.0000 0.0000 0.2585 ( 5797 PWs) bands (ev): -71.3659 -71.3659 -38.3077 -38.3077 -38.0274 -38.0274 -38.0109 -38.0109 -26.7489 -26.7489 -26.7243 -26.7243 -10.4945 -10.4945 -10.3577 -10.3577 -10.2236 -10.2236 -10.1321 -10.1321 -10.0924 -10.0924 -10.0751 -10.0751 -2.0600 -2.0600 0.8244 0.8244 1.7567 1.7567 2.1296 2.1296 6.7123 6.7123 7.8687 7.8687 8.6637 8.6637 8.8159 8.8159 k = 0.0000 0.0000 0.2820 ( 5795 PWs) bands (ev): -71.3659 -71.3659 -38.3077 -38.3077 -38.0274 -38.0274 -38.0109 -38.0109 -26.7484 -26.7484 -26.7241 -26.7241 -10.4937 -10.4937 -10.3606 -10.3606 -10.2244 -10.2244 -10.1352 -10.1352 -10.0960 -10.0960 -10.0755 -10.0755 -2.0288 -2.0288 0.8437 0.8437 1.7669 1.7669 2.0884 2.0884 6.6328 6.6328 7.8535 7.8535 8.7290 8.7290 8.7560 8.7560 k = 0.0000 0.0000 0.3055 ( 5767 PWs) bands (ev): -71.3659 -71.3659 -38.3077 -38.3077 -38.0274 -38.0274 -38.0109 -38.0109 -26.7478 -26.7478 -26.7239 -26.7239 -10.4929 -10.4929 -10.3638 -10.3638 -10.2252 -10.2252 -10.1384 -10.1384 -10.0998 -10.0998 -10.0760 -10.0760 -1.9951 -1.9951 0.8639 0.8639 1.7773 1.7773 2.0453 2.0453 6.5545 6.5545 7.8377 7.8377 8.6426 8.6426 8.8539 8.8539 k = 0.0000 0.0000 0.3290 ( 5771 PWs) bands (ev): -71.3659 -71.3659 -38.3077 -38.3077 -38.0274 -38.0274 -38.0109 -38.0109 -26.7472 -26.7472 -26.7237 -26.7237 -10.4920 -10.4920 -10.3671 -10.3671 -10.2260 -10.2260 -10.1418 -10.1418 -10.1038 -10.1038 -10.0766 -10.0766 -1.9590 -1.9590 0.8850 0.8850 1.7877 1.7877 2.0005 2.0005 6.4780 6.4780 7.8214 7.8214 8.5568 8.5568 8.9576 8.9576 k = 0.0000 0.0000 0.3525 ( 5779 PWs) bands (ev): -71.3659 -71.3659 -38.3078 -38.3078 -38.0275 -38.0275 -38.0109 -38.0109 -26.7466 -26.7466 -26.7235 -26.7235 -10.4912 -10.4912 -10.3705 -10.3705 -10.2269 -10.2269 -10.1453 -10.1453 -10.1079 -10.1079 -10.0773 -10.0773 -1.9206 -1.9206 0.9068 0.9068 1.7979 1.7979 1.9542 1.9542 6.4035 6.4035 7.8049 7.8049 8.4724 8.4724 9.0665 9.0665 k = 0.0000 0.0000 0.3760 ( 5771 PWs) bands (ev): -71.3659 -71.3659 -38.3078 -38.3078 -38.0275 -38.0275 -38.0109 -38.0109 -26.7459 -26.7459 -26.7233 -26.7233 -10.4903 -10.4903 -10.3741 -10.3741 -10.2278 -10.2278 -10.1488 -10.1488 -10.1123 -10.1123 -10.0781 -10.0781 -1.8799 -1.8799 0.9290 0.9290 1.8076 1.8076 1.9069 1.9069 6.3314 6.3314 7.7882 7.7882 8.3899 8.3899 9.1802 9.1802 k = 0.0000 0.0000 0.3995 ( 5771 PWs) bands (ev): -71.3659 -71.3659 -38.3078 -38.3078 -38.0275 -38.0275 -38.0110 -38.0110 -26.7452 -26.7452 -26.7231 -26.7231 -10.4895 -10.4895 -10.3779 -10.3779 -10.2286 -10.2286 -10.1525 -10.1525 -10.1167 -10.1167 -10.0790 -10.0790 -1.8370 -1.8370 0.9515 0.9515 1.8167 1.8167 1.8586 1.8586 6.2621 6.2621 7.7714 7.7714 8.3099 8.3099 9.2981 9.2981 k = 0.0000 0.0000 0.4230 ( 5775 PWs) bands (ev): -71.3659 -71.3659 -38.3078 -38.3078 -38.0276 -38.0276 -38.0110 -38.0110 -26.7445 -26.7445 -26.7228 -26.7228 -10.4887 -10.4887 -10.3817 -10.3817 -10.2294 -10.2294 -10.1561 -10.1561 -10.1212 -10.1212 -10.0800 -10.0800 -1.7919 -1.7919 0.9741 0.9741 1.8095 1.8095 1.8251 1.8251 6.1959 6.1959 7.7546 7.7546 8.2330 8.2330 9.4035 9.4035 k = 0.0000 0.0000 0.4465 ( 5775 PWs) bands (ev): -71.3659 -71.3659 -38.3078 -38.3078 -38.0276 -38.0276 -38.0110 -38.0110 -26.7437 -26.7437 -26.7226 -26.7226 -10.4879 -10.4879 -10.3857 -10.3857 -10.2302 -10.2302 -10.1598 -10.1598 -10.1259 -10.1259 -10.0812 -10.0812 -1.7448 -1.7448 0.9966 0.9966 1.7602 1.7602 1.8321 1.8321 6.1331 6.1331 7.7379 7.7379 8.1596 8.1596 9.4427 9.4427 k = 0.0000 0.0000 0.4700 ( 5771 PWs) bands (ev): -71.3659 -71.3659 -38.3079 -38.3079 -38.0276 -38.0276 -38.0110 -38.0110 -26.7429 -26.7429 -26.7223 -26.7223 -10.4871 -10.4871 -10.3897 -10.3897 -10.2310 -10.2310 -10.1635 -10.1635 -10.1306 -10.1306 -10.0824 -10.0824 -1.6957 -1.6957 1.0187 1.0187 1.7106 1.7106 1.8379 1.8379 6.0741 6.0741 7.7214 7.7214 8.0904 8.0904 9.4114 9.4114 k = 0.0000 0.0000 0.4935 ( 5763 PWs) bands (ev): -71.3659 -71.3659 -38.3079 -38.3079 -38.0277 -38.0277 -38.0110 -38.0110 -26.7421 -26.7421 -26.7221 -26.7221 -10.4864 -10.4864 -10.3938 -10.3938 -10.2317 -10.2317 -10.1672 -10.1672 -10.1353 -10.1353 -10.0837 -10.0837 -1.6447 -1.6447 1.0403 1.0403 1.6609 1.6609 1.8420 1.8420 6.0191 6.0191 7.7052 7.7052 8.0256 8.0256 9.3419 9.3419 k = 0.0000 0.0000 0.5170 ( 5751 PWs) bands (ev): -71.3659 -71.3659 -38.3079 -38.3079 -38.0277 -38.0277 -38.0110 -38.0110 -26.7413 -26.7413 -26.7218 -26.7218 -10.4857 -10.4857 -10.3980 -10.3980 -10.2324 -10.2324 -10.1708 -10.1708 -10.1401 -10.1401 -10.0851 -10.0851 -1.5919 -1.5919 1.0612 1.0612 1.6113 1.6113 1.8443 1.8443 5.9686 5.9686 7.6892 7.6892 7.9658 7.9658 9.2647 9.2647 k = 0.0000 0.0000 0.5405 ( 5755 PWs) bands (ev): -71.3659 -71.3659 -38.3079 -38.3079 -38.0277 -38.0277 -38.0110 -38.0110 -26.7405 -26.7405 -26.7215 -26.7215 -10.4851 -10.4851 -10.4022 -10.4022 -10.2330 -10.2330 -10.1744 -10.1744 -10.1449 -10.1449 -10.0866 -10.0866 -1.5374 -1.5374 1.0812 1.0812 1.5620 1.5620 1.8445 1.8445 5.9227 5.9227 7.6736 7.6736 7.9113 7.9113 9.1861 9.1861 k = 0.0000 0.0000 0.5640 ( 5759 PWs) bands (ev): -71.3659 -71.3659 -38.3079 -38.3079 -38.0278 -38.0278 -38.0110 -38.0110 -26.7397 -26.7397 -26.7213 -26.7213 -10.4846 -10.4846 -10.4064 -10.4064 -10.2336 -10.2336 -10.1779 -10.1779 -10.1497 -10.1497 -10.0882 -10.0882 -1.4811 -1.4811 1.1002 1.1002 1.5132 1.5132 1.8425 1.8425 5.8818 5.8818 7.6583 7.6583 7.8624 7.8624 9.1078 9.1078 k = 0.0000 0.0000 0.5875 ( 5769 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0278 -38.0278 -38.0110 -38.0110 -26.7388 -26.7388 -26.7210 -26.7210 -10.4841 -10.4841 -10.4106 -10.4106 -10.2342 -10.2342 -10.1813 -10.1813 -10.1545 -10.1545 -10.0899 -10.0899 -1.4233 -1.4233 1.1179 1.1179 1.4649 1.4649 1.8379 1.8379 5.8460 5.8460 7.6434 7.6434 7.8195 7.8195 9.0302 9.0302 k = 0.0000 0.0000 0.6110 ( 5773 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0279 -38.0279 -38.0110 -38.0110 -26.7380 -26.7380 -26.7207 -26.7207 -10.4837 -10.4837 -10.4148 -10.4148 -10.2347 -10.2347 -10.1845 -10.1845 -10.1592 -10.1592 -10.0916 -10.0916 -1.3640 -1.3640 1.1342 1.1342 1.4173 1.4173 1.8307 1.8307 5.8157 5.8157 7.6289 7.6289 7.7828 7.7828 8.9536 8.9536 k = 0.0000 0.0000 0.6345 ( 5773 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0279 -38.0279 -38.0110 -38.0110 -26.7371 -26.7371 -26.7204 -26.7204 -10.4834 -10.4834 -10.4190 -10.4190 -10.2353 -10.2353 -10.1875 -10.1875 -10.1639 -10.1639 -10.0934 -10.0934 -1.3033 -1.3033 1.1491 1.1491 1.3706 1.3706 1.8206 1.8206 5.7908 5.7908 7.6149 7.6149 7.7525 7.7525 8.8780 8.8780 k = 0.0000 0.0000 0.6580 ( 5781 PWs) bands (ev): -71.3659 -71.3659 -38.3081 -38.3081 -38.0280 -38.0280 -38.0111 -38.0111 -26.7362 -26.7362 -26.7201 -26.7201 -10.4832 -10.4832 -10.4231 -10.4231 -10.2358 -10.2358 -10.1904 -10.1904 -10.1686 -10.1686 -10.0953 -10.0953 -1.2413 -1.2413 1.1623 1.1623 1.3248 1.3248 1.8077 1.8077 5.7716 5.7716 7.6012 7.6012 7.7288 7.7288 8.8033 8.8033 k = 0.0000 0.0000 0.6815 ( 5781 PWs) bands (ev): -71.3659 -71.3659 -38.3081 -38.3081 -38.0280 -38.0280 -38.0111 -38.0111 -26.7354 -26.7354 -26.7199 -26.7199 -10.4830 -10.4830 -10.4272 -10.4272 -10.2363 -10.2363 -10.1930 -10.1930 -10.1731 -10.1731 -10.0973 -10.0973 -1.1780 -1.1780 1.1738 1.1738 1.2801 1.2801 1.7917 1.7917 5.7581 5.7581 7.5880 7.5880 7.7118 7.7118 8.7296 8.7296 k = 0.0000 0.0000 0.7050 ( 5777 PWs) bands (ev): -71.3659 -71.3659 -38.3081 -38.3081 -38.0280 -38.0280 -38.0111 -38.0111 -26.7345 -26.7345 -26.7196 -26.7196 -10.4829 -10.4829 -10.4312 -10.4312 -10.2368 -10.2368 -10.1954 -10.1954 -10.1776 -10.1776 -10.0993 -10.0993 -1.1136 -1.1136 1.1836 1.1836 1.2365 1.2365 1.7727 1.7727 5.7503 5.7503 7.5753 7.5753 7.7015 7.7015 8.6566 8.6566 k = 0.0000 0.0000 0.7285 ( 5777 PWs) bands (ev): -71.3659 -71.3659 -38.3081 -38.3081 -38.0281 -38.0281 -38.0111 -38.0111 -26.7337 -26.7337 -26.7193 -26.7193 -10.4828 -10.4828 -10.4351 -10.4351 -10.2375 -10.2375 -10.1975 -10.1975 -10.1820 -10.1820 -10.1014 -10.1014 -1.0482 -1.0482 1.1902 1.1902 1.1954 1.1954 1.7507 1.7507 5.7482 5.7482 7.5630 7.5630 7.6980 7.6980 8.5844 8.5844 k = 0.0000 0.0000 0.7520 ( 5767 PWs) bands (ev): -71.3659 -71.3659 -38.3081 -38.3081 -38.0281 -38.0281 -38.0111 -38.0111 -26.7328 -26.7328 -26.7190 -26.7190 -10.4828 -10.4828 -10.4390 -10.4390 -10.2381 -10.2381 -10.1993 -10.1993 -10.1863 -10.1863 -10.1035 -10.1035 -0.9818 -0.9818 1.1526 1.1526 1.1982 1.1982 1.7258 1.7258 5.7516 5.7516 7.5511 7.5511 7.7011 7.7011 8.5128 8.5128 k = 0.0000 0.0000 0.7755 ( 5763 PWs) bands (ev): -71.3659 -71.3659 -38.3082 -38.3082 -38.0281 -38.0281 -38.0111 -38.0111 -26.7320 -26.7320 -26.7188 -26.7188 -10.4829 -10.4829 -10.4427 -10.4427 -10.2388 -10.2388 -10.2008 -10.2008 -10.1905 -10.1905 -10.1056 -10.1056 -0.9146 -0.9146 1.1129 1.1129 1.2027 1.2027 1.6979 1.6979 5.7606 5.7606 7.5396 7.5396 7.7108 7.7108 8.4418 8.4418 k = 0.0000 0.0000 0.7990 ( 5759 PWs) bands (ev): -71.3659 -71.3659 -38.3082 -38.3082 -38.0282 -38.0282 -38.0111 -38.0111 -26.7312 -26.7312 -26.7185 -26.7185 -10.4830 -10.4830 -10.4464 -10.4464 -10.2396 -10.2396 -10.2020 -10.2020 -10.1945 -10.1945 -10.1078 -10.1078 -0.8465 -0.8465 1.0745 1.0745 1.2055 1.2055 1.6672 1.6672 5.7747 5.7747 7.5286 7.5286 7.7270 7.7270 8.3713 8.3713 k = 0.0000 0.0000 0.8225 ( 5755 PWs) bands (ev): -71.3659 -71.3659 -38.3082 -38.3082 -38.0282 -38.0282 -38.0111 -38.0111 -26.7304 -26.7304 -26.7183 -26.7183 -10.4832 -10.4832 -10.4499 -10.4499 -10.2405 -10.2405 -10.2030 -10.2030 -10.1984 -10.1984 -10.1100 -10.1100 -0.7779 -0.7779 1.0376 1.0376 1.2068 1.2068 1.6338 1.6338 5.7940 5.7940 7.5180 7.5180 7.7495 7.7495 8.3013 8.3013 k = 0.0000 0.0000 0.8460 ( 5755 PWs) bands (ev): -71.3658 -71.3658 -38.3082 -38.3082 -38.0282 -38.0282 -38.0111 -38.0111 -26.7297 -26.7297 -26.7180 -26.7180 -10.4835 -10.4835 -10.4532 -10.4532 -10.2414 -10.2414 -10.2041 -10.2041 -10.2017 -10.2017 -10.1122 -10.1122 -0.7086 -0.7086 1.0022 1.0022 1.2067 1.2067 1.5979 1.5979 5.8180 5.8180 7.5079 7.5079 7.7780 7.7780 8.2319 8.2319 k = 0.0000 0.0000 0.8695 ( 5745 PWs) bands (ev): -71.3658 -71.3658 -38.3082 -38.3082 -38.0282 -38.0282 -38.0111 -38.0111 -26.7289 -26.7289 -26.7178 -26.7178 -10.4837 -10.4837 -10.4565 -10.4565 -10.2424 -10.2424 -10.2066 -10.2066 -10.2031 -10.2031 -10.1144 -10.1144 -0.6389 -0.6389 0.9684 0.9684 1.2051 1.2051 1.5595 1.5595 5.8465 5.8465 7.4981 7.4981 7.8123 7.8123 8.1631 8.1631 k = 0.0000 0.0000 0.8930 ( 5749 PWs) bands (ev): -71.3658 -71.3658 -38.3083 -38.3083 -38.0283 -38.0283 -38.0111 -38.0111 -26.7282 -26.7282 -26.7176 -26.7176 -10.4841 -10.4841 -10.4596 -10.4596 -10.2433 -10.2433 -10.2099 -10.2099 -10.2034 -10.2034 -10.1166 -10.1166 -0.5689 -0.5689 0.9362 0.9362 1.2024 1.2024 1.5189 1.5189 5.8792 5.8792 7.4888 7.4888 7.8519 7.8519 8.0949 8.0949 k = 0.0000 0.0000 0.9165 ( 5761 PWs) bands (ev): -71.3658 -71.3658 -38.3083 -38.3083 -38.0283 -38.0283 -38.0111 -38.0111 -26.7275 -26.7275 -26.7173 -26.7173 -10.4844 -10.4844 -10.4625 -10.4625 -10.2443 -10.2443 -10.2133 -10.2133 -10.2034 -10.2034 -10.1188 -10.1188 -0.4985 -0.4985 0.9056 0.9056 1.1986 1.1986 1.4763 1.4763 5.9158 5.9158 7.4798 7.4798 7.8966 7.8966 8.0278 8.0278 k = 0.0000 0.0000 0.9400 ( 5757 PWs) bands (ev): -71.3658 -71.3658 -38.3083 -38.3083 -38.0283 -38.0283 -38.0111 -38.0111 -26.7269 -26.7269 -26.7171 -26.7171 -10.4848 -10.4848 -10.4653 -10.4653 -10.2452 -10.2452 -10.2165 -10.2165 -10.2031 -10.2031 -10.1210 -10.1210 -0.4280 -0.4280 0.8767 0.8767 1.1939 1.1939 1.4317 1.4317 5.9560 5.9560 7.4713 7.4713 7.9445 7.9445 7.9630 7.9630 k = 0.0000 0.0000 0.9635 ( 5749 PWs) bands (ev): -71.3658 -71.3658 -38.3083 -38.3083 -38.0284 -38.0284 -38.0111 -38.0111 -26.7262 -26.7262 -26.7169 -26.7169 -10.4851 -10.4851 -10.4679 -10.4679 -10.2461 -10.2461 -10.2195 -10.2195 -10.2026 -10.2026 -10.1232 -10.1232 -0.3575 -0.3575 0.8496 0.8496 1.1884 1.1884 1.3854 1.3854 5.9992 5.9992 7.4633 7.4633 7.8964 7.8964 7.9999 7.9999 k = 0.0000 0.0000 0.9870 ( 5749 PWs) bands (ev): -71.3658 -71.3658 -38.3083 -38.3083 -38.0284 -38.0284 -38.0111 -38.0111 -26.7256 -26.7256 -26.7167 -26.7167 -10.4855 -10.4855 -10.4704 -10.4704 -10.2469 -10.2469 -10.2224 -10.2224 -10.2020 -10.2020 -10.1253 -10.1253 -0.2869 -0.2869 0.8242 0.8242 1.1824 1.1824 1.3374 1.3374 6.0453 6.0453 7.4557 7.4557 7.8336 7.8336 8.0569 8.0569 k = 0.0000 0.0000 1.0105 ( 5766 PWs) bands (ev): -71.3658 -71.3658 -38.3084 -38.3084 -38.0284 -38.0284 -38.0111 -38.0111 -26.7251 -26.7251 -26.7166 -26.7166 -10.4859 -10.4859 -10.4727 -10.4727 -10.2476 -10.2476 -10.2251 -10.2251 -10.2014 -10.2014 -10.1274 -10.1274 -0.2165 -0.2165 0.8006 0.8006 1.1760 1.1760 1.2879 1.2879 6.0936 6.0936 7.4485 7.4485 7.7730 7.7730 8.1169 8.1169 k = 0.0000 0.0000 1.0340 ( 5764 PWs) bands (ev): -71.3658 -71.3658 -38.3084 -38.3084 -38.0285 -38.0285 -38.0112 -38.0112 -26.7246 -26.7246 -26.7164 -26.7164 -10.4863 -10.4863 -10.4748 -10.4748 -10.2482 -10.2482 -10.2277 -10.2277 -10.2006 -10.2006 -10.1294 -10.1294 -0.1463 -0.1463 0.7789 0.7789 1.1695 1.1695 1.2371 1.2371 6.1438 6.1438 7.4418 7.4418 7.7150 7.7150 8.1128 8.1128 k = 0.0000 0.0000 1.0575 ( 5762 PWs) bands (ev): -71.3658 -71.3658 -38.3084 -38.3084 -38.0285 -38.0285 -38.0112 -38.0112 -26.7241 -26.7241 -26.7162 -26.7162 -10.4867 -10.4867 -10.4768 -10.4768 -10.2488 -10.2488 -10.2301 -10.2301 -10.1999 -10.1999 -10.1313 -10.1313 -0.0765 -0.0765 0.7589 0.7589 1.1628 1.1628 1.1850 1.1850 6.1954 6.1954 7.4356 7.4356 7.6602 7.6602 8.0230 8.0230 k = 0.0000 0.0000 1.0810 ( 5762 PWs) bands (ev): -71.3658 -71.3658 -38.3084 -38.3084 -38.0285 -38.0285 -38.0112 -38.0112 -26.7237 -26.7237 -26.7161 -26.7161 -10.4870 -10.4870 -10.4786 -10.4786 -10.2492 -10.2492 -10.2323 -10.2323 -10.1991 -10.1991 -10.1331 -10.1331 -0.0071 -0.0071 0.7408 0.7408 1.1317 1.1317 1.1563 1.1563 6.2478 6.2478 7.4299 7.4299 7.6093 7.6093 7.9373 7.9373 k = 0.0000 0.0000 1.1045 ( 5766 PWs) bands (ev): -71.3658 -71.3658 -38.3084 -38.3084 -38.0285 -38.0285 -38.0112 -38.0112 -26.7233 -26.7233 -26.7160 -26.7160 -10.4873 -10.4873 -10.4802 -10.4802 -10.2496 -10.2496 -10.2343 -10.2343 -10.1983 -10.1983 -10.1348 -10.1348 0.0618 0.0618 0.7245 0.7245 1.0774 1.0774 1.1501 1.1501 6.3004 6.3004 7.4247 7.4247 7.5627 7.5627 7.8559 7.8559 k = 0.0000 0.0000 1.1280 ( 5768 PWs) bands (ev): -71.3658 -71.3658 -38.3084 -38.3084 -38.0285 -38.0285 -38.0112 -38.0112 -26.7229 -26.7229 -26.7159 -26.7159 -10.4876 -10.4876 -10.4816 -10.4816 -10.2498 -10.2498 -10.2361 -10.2361 -10.1975 -10.1975 -10.1364 -10.1364 0.1300 0.1300 0.7101 0.7101 1.0221 1.0221 1.1442 1.1442 6.3523 6.3523 7.4199 7.4199 7.5210 7.5210 7.7790 7.7790 k = 0.0000 0.0000 1.1516 ( 5770 PWs) bands (ev): -71.3658 -71.3658 -38.3084 -38.3084 -38.0285 -38.0285 -38.0112 -38.0112 -26.7226 -26.7226 -26.7158 -26.7158 -10.4878 -10.4878 -10.4829 -10.4829 -10.2500 -10.2500 -10.2378 -10.2378 -10.1968 -10.1968 -10.1378 -10.1378 0.1975 0.1975 0.6977 0.6977 0.9659 0.9659 1.1389 1.1389 6.4025 6.4025 7.4156 7.4156 7.4851 7.4851 7.7070 7.7070 k = 0.0000 0.0000 1.1751 ( 5766 PWs) bands (ev): -71.3658 -71.3658 -38.3084 -38.3084 -38.0286 -38.0286 -38.0112 -38.0112 -26.7223 -26.7223 -26.7157 -26.7157 -10.4879 -10.4879 -10.4840 -10.4840 -10.2500 -10.2500 -10.2392 -10.2392 -10.1961 -10.1961 -10.1390 -10.1390 0.2640 0.2640 0.6871 0.6871 0.9090 0.9090 1.1342 1.1342 6.4500 6.4500 7.4116 7.4116 7.4555 7.4555 7.6406 7.6406 k = 0.0000 0.0000 1.1986 ( 5780 PWs) bands (ev): -71.3658 -71.3658 -38.3085 -38.3085 -38.0286 -38.0286 -38.0112 -38.0112 -26.7221 -26.7221 -26.7156 -26.7156 -10.4880 -10.4880 -10.4850 -10.4850 -10.2500 -10.2500 -10.2405 -10.2405 -10.1955 -10.1955 -10.1401 -10.1401 0.3292 0.3292 0.6784 0.6784 0.8517 0.8517 1.1302 1.1302 6.4930 6.4930 7.4076 7.4076 7.4335 7.4335 7.5806 7.5806 k = 0.0000 0.0000 1.2221 ( 5784 PWs) bands (ev): -71.3658 -71.3658 -38.3085 -38.3085 -38.0286 -38.0286 -38.0112 -38.0112 -26.7220 -26.7220 -26.7156 -26.7156 -10.4881 -10.4881 -10.4858 -10.4858 -10.2500 -10.2500 -10.2415 -10.2415 -10.1951 -10.1951 -10.1409 -10.1409 0.3926 0.3926 0.6717 0.6717 0.7944 0.7944 1.1270 1.1270 6.5298 6.5298 7.4031 7.4031 7.4201 7.4201 7.5280 7.5280 k = 0.0000 0.0000 1.2456 ( 5792 PWs) bands (ev): -71.3658 -71.3658 -38.3085 -38.3085 -38.0286 -38.0286 -38.0112 -38.0112 -26.7218 -26.7218 -26.7155 -26.7155 -10.4880 -10.4880 -10.4864 -10.4864 -10.2499 -10.2499 -10.2422 -10.2422 -10.1947 -10.1947 -10.1415 -10.1415 0.4529 0.4529 0.6668 0.6668 0.7385 0.7385 1.1247 1.1247 6.5584 6.5584 7.3997 7.3997 7.4149 7.4149 7.4842 7.4842 k = 0.0000 0.0000 1.2691 ( 5788 PWs) bands (ev): -71.3658 -71.3658 -38.3085 -38.3085 -38.0286 -38.0286 -38.0112 -38.0112 -26.7218 -26.7218 -26.7155 -26.7155 -10.4879 -10.4879 -10.4869 -10.4869 -10.2498 -10.2498 -10.2427 -10.2427 -10.1945 -10.1945 -10.1419 -10.1419 0.5053 0.5053 0.6639 0.6639 0.6888 0.6888 1.1233 1.1233 6.5765 6.5765 7.3998 7.3998 7.4156 7.4156 7.4507 7.4507 k = 0.0000 0.0000 1.2926 ( 5790 PWs) bands (ev): -71.3658 -71.3658 -38.3085 -38.3085 -38.0286 -38.0286 -38.0112 -38.0112 -26.7217 -26.7217 -26.7155 -26.7155 -10.4878 -10.4878 -10.4871 -10.4871 -10.2498 -10.2498 -10.2429 -10.2429 -10.1944 -10.1944 -10.1420 -10.1420 0.5310 0.5310 0.6625 0.6625 0.6644 0.6644 1.1229 1.1229 6.5828 6.5828 7.4009 7.4009 7.4215 7.4215 7.4327 7.4327 k = 0.0000 0.0000 1.2926 ( 5790 PWs) bands (ev): -71.3658 -71.3658 -38.3085 -38.3085 -38.0286 -38.0286 -38.0112 -38.0112 -26.7217 -26.7217 -26.7155 -26.7155 -10.4878 -10.4878 -10.4871 -10.4871 -10.2498 -10.2498 -10.2429 -10.2429 -10.1944 -10.1944 -10.1420 -10.1420 0.5310 0.5310 0.6625 0.6625 0.6644 0.6644 1.1229 1.1229 6.5828 6.5828 7.4009 7.4009 7.4215 7.4215 7.4327 7.4327 k =-0.0088 0.0210 1.2926 ( 5786 PWs) bands (ev): -71.3658 -71.3658 -38.3085 -38.3085 -38.0286 -38.0286 -38.0112 -38.0112 -26.7217 -26.7217 -26.7155 -26.7155 -10.4878 -10.4878 -10.4870 -10.4870 -10.2502 -10.2502 -10.2423 -10.2423 -10.1944 -10.1944 -10.1420 -10.1420 0.5122 0.5122 0.6648 0.6648 0.6809 0.6809 1.1228 1.1228 6.5867 6.5867 7.3987 7.3987 7.4211 7.4211 7.4331 7.4331 k =-0.0176 0.0419 1.2926 ( 5778 PWs) bands (ev): -71.3658 -71.3658 -38.3085 -38.3085 -38.0286 -38.0286 -38.0112 -38.0112 -26.7218 -26.7218 -26.7156 -26.7156 -10.4878 -10.4878 -10.4867 -10.4867 -10.2513 -10.2513 -10.2410 -10.2410 -10.1941 -10.1941 -10.1420 -10.1420 0.4710 0.4710 0.6676 0.6676 0.7192 0.7192 1.1227 1.1227 6.5984 6.5984 7.3915 7.3915 7.4204 7.4204 7.4345 7.4345 k =-0.0264 0.0629 1.2926 ( 5780 PWs) bands (ev): -71.3658 -71.3658 -38.3085 -38.3085 -38.0286 -38.0286 -38.0112 -38.0112 -26.7218 -26.7218 -26.7157 -26.7157 -10.4876 -10.4876 -10.4863 -10.4863 -10.2525 -10.2525 -10.2392 -10.2392 -10.1937 -10.1937 -10.1421 -10.1421 0.4216 0.4216 0.6721 0.6721 0.7637 0.7637 1.1224 1.1224 6.6178 6.6178 7.3789 7.3789 7.4203 7.4203 7.4367 7.4367 k =-0.0352 0.0839 1.2926 ( 5778 PWs) bands (ev): -71.3658 -71.3658 -38.3085 -38.3085 -38.0286 -38.0286 -38.0112 -38.0112 -26.7219 -26.7219 -26.7159 -26.7159 -10.4874 -10.4874 -10.4857 -10.4857 -10.2538 -10.2538 -10.2372 -10.2372 -10.1932 -10.1932 -10.1422 -10.1422 0.3686 0.3686 0.6785 0.6785 0.8101 0.8101 1.1219 1.1219 6.6447 6.6447 7.3611 7.3611 7.4209 7.4209 7.4399 7.4399 k =-0.0440 0.1049 1.2926 ( 5774 PWs) bands (ev): -71.3658 -71.3658 -38.3085 -38.3085 -38.0286 -38.0286 -38.0112 -38.0112 -26.7219 -26.7219 -26.7161 -26.7161 -10.4871 -10.4871 -10.4850 -10.4850 -10.2550 -10.2550 -10.2350 -10.2350 -10.1925 -10.1925 -10.1422 -10.1422 0.3133 0.3133 0.6867 0.6867 0.8570 0.8570 1.1213 1.1213 6.6790 6.6790 7.3387 7.3387 7.4222 7.4222 7.4439 7.4439 k =-0.0440 0.1049 1.2926 ( 5774 PWs) bands (ev): -71.3658 -71.3658 -38.3085 -38.3085 -38.0286 -38.0286 -38.0112 -38.0112 -26.7219 -26.7219 -26.7161 -26.7161 -10.4871 -10.4871 -10.4850 -10.4850 -10.2550 -10.2550 -10.2350 -10.2350 -10.1925 -10.1925 -10.1422 -10.1422 0.3133 0.3133 0.6867 0.6867 0.8570 0.8570 1.1213 1.1213 6.6790 6.6790 7.3387 7.3387 7.4222 7.4222 7.4439 7.4439 k =-0.0503 0.1200 1.2762 ( 5778 PWs) bands (ev): -71.3658 -71.3658 -38.3085 -38.3085 -38.0286 -38.0286 -38.0112 -38.0112 -26.7220 -26.7220 -26.7162 -26.7162 -10.4868 -10.4868 -10.4844 -10.4844 -10.2558 -10.2558 -10.2333 -10.2333 -10.1919 -10.1919 -10.1423 -10.1423 0.2705 0.2705 0.6904 0.6904 0.8960 0.8960 1.1209 1.1209 6.7046 6.7046 7.3200 7.3200 7.4217 7.4217 7.4547 7.4547 k =-0.0567 0.1351 1.2598 ( 5784 PWs) bands (ev): -71.3658 -71.3658 -38.3085 -38.3085 -38.0286 -38.0286 -38.0112 -38.0112 -26.7221 -26.7221 -26.7164 -26.7164 -10.4865 -10.4865 -10.4837 -10.4837 -10.2564 -10.2564 -10.2315 -10.2315 -10.1914 -10.1914 -10.1421 -10.1421 0.2246 0.2246 0.6893 0.6893 0.9429 0.9429 1.1208 1.1208 6.7267 6.7267 7.2989 7.2989 7.4236 7.4236 7.4750 7.4750 k =-0.0630 0.1502 1.2434 ( 5782 PWs) bands (ev): -71.3658 -71.3658 -38.3084 -38.3084 -38.0285 -38.0285 -38.0112 -38.0112 -26.7222 -26.7222 -26.7167 -26.7167 -10.4862 -10.4862 -10.4828 -10.4828 -10.2569 -10.2569 -10.2296 -10.2296 -10.1908 -10.1908 -10.1419 -10.1419 0.1771 0.1771 0.6851 0.6851 0.9949 0.9949 1.1210 1.1210 6.7451 6.7451 7.2752 7.2752 7.4313 7.4313 7.5015 7.5015 k =-0.0693 0.1653 1.2271 ( 5782 PWs) bands (ev): -71.3658 -71.3658 -38.3084 -38.3084 -38.0285 -38.0285 -38.0112 -38.0112 -26.7224 -26.7224 -26.7169 -26.7169 -10.4858 -10.4858 -10.4818 -10.4818 -10.2573 -10.2573 -10.2276 -10.2276 -10.1901 -10.1901 -10.1415 -10.1415 0.1289 0.1289 0.6787 0.6787 1.0498 1.0498 1.1216 1.1216 6.7599 6.7599 7.2489 7.2489 7.4451 7.4451 7.5334 7.5334 k =-0.0757 0.1804 1.2107 ( 5781 PWs) bands (ev): -71.3658 -71.3658 -38.3084 -38.3084 -38.0285 -38.0285 -38.0112 -38.0112 -26.7226 -26.7226 -26.7172 -26.7172 -10.4855 -10.4855 -10.4808 -10.4808 -10.2574 -10.2574 -10.2255 -10.2255 -10.1894 -10.1894 -10.1410 -10.1410 0.0806 0.0806 0.6706 0.6706 1.1066 1.1066 1.1225 1.1225 6.7714 6.7714 7.2197 7.2197 7.4648 7.4648 7.5702 7.5702 k =-0.0820 0.1955 1.1943 ( 5777 PWs) bands (ev): -71.3658 -71.3658 -38.3084 -38.3084 -38.0285 -38.0285 -38.0112 -38.0112 -26.7228 -26.7228 -26.7175 -26.7175 -10.4851 -10.4851 -10.4797 -10.4797 -10.2574 -10.2574 -10.2234 -10.2234 -10.1886 -10.1886 -10.1404 -10.1404 0.0326 0.0326 0.6613 0.6613 1.1233 1.1233 1.1648 1.1648 6.7804 6.7804 7.1875 7.1875 7.4900 7.4900 7.6112 7.6112 k =-0.0883 0.2106 1.1779 ( 5781 PWs) bands (ev): -71.3658 -71.3658 -38.3084 -38.3084 -38.0285 -38.0285 -38.0112 -38.0112 -26.7230 -26.7230 -26.7178 -26.7178 -10.4847 -10.4847 -10.4786 -10.4786 -10.2573 -10.2573 -10.2213 -10.2213 -10.1876 -10.1876 -10.1397 -10.1397 -0.0149 -0.0149 0.6509 0.6509 1.1246 1.1246 1.2233 1.2233 6.7875 6.7875 7.1523 7.1523 7.5203 7.5203 7.6559 7.6559 k =-0.0947 0.2257 1.1616 ( 5768 PWs) bands (ev): -71.3658 -71.3658 -38.3084 -38.3084 -38.0284 -38.0284 -38.0112 -38.0112 -26.7232 -26.7232 -26.7182 -26.7182 -10.4844 -10.4844 -10.4775 -10.4775 -10.2569 -10.2569 -10.2192 -10.2192 -10.1864 -10.1864 -10.1388 -10.1388 -0.0616 -0.0616 0.6397 0.6397 1.1261 1.1261 1.2821 1.2821 6.7935 6.7935 7.1141 7.1141 7.5552 7.5552 7.7033 7.7033 k =-0.1010 0.2408 1.1452 ( 5765 PWs) bands (ev): -71.3658 -71.3658 -38.3084 -38.3084 -38.0284 -38.0284 -38.0112 -38.0112 -26.7235 -26.7235 -26.7185 -26.7185 -10.4842 -10.4842 -10.4764 -10.4764 -10.2564 -10.2564 -10.2172 -10.2172 -10.1851 -10.1851 -10.1377 -10.1377 -0.1074 -0.1074 0.6278 0.6278 1.1278 1.1278 1.3408 1.3408 6.7989 6.7989 7.0732 7.0732 7.5944 7.5944 7.7526 7.7526 k =-0.1073 0.2559 1.1288 ( 5766 PWs) bands (ev): -71.3658 -71.3658 -38.3083 -38.3083 -38.0284 -38.0284 -38.0112 -38.0112 -26.7238 -26.7238 -26.7189 -26.7189 -10.4840 -10.4840 -10.4753 -10.4753 -10.2558 -10.2558 -10.2154 -10.2154 -10.1834 -10.1834 -10.1366 -10.1366 -0.1521 -0.1521 0.6152 0.6152 1.1297 1.1297 1.3992 1.3992 6.8045 6.8045 7.0297 7.0297 7.6374 7.6374 7.8029 7.8029 k =-0.1137 0.2710 1.1125 ( 5764 PWs) bands (ev): -71.3658 -71.3658 -38.3083 -38.3083 -38.0284 -38.0284 -38.0111 -38.0111 -26.7241 -26.7241 -26.7193 -26.7193 -10.4839 -10.4839 -10.4743 -10.4743 -10.2549 -10.2549 -10.2136 -10.2136 -10.1815 -10.1815 -10.1353 -10.1353 -0.1956 -0.1956 0.6022 0.6022 1.1317 1.1317 1.4571 1.4571 6.8107 6.8107 6.9840 6.9840 7.6841 7.6841 7.8534 7.8534 k =-0.1200 0.2860 1.0961 ( 5764 PWs) bands (ev): -71.3658 -71.3658 -38.3083 -38.3083 -38.0283 -38.0283 -38.0111 -38.0111 -26.7244 -26.7244 -26.7197 -26.7197 -10.4839 -10.4839 -10.4733 -10.4733 -10.2540 -10.2540 -10.2121 -10.2121 -10.1792 -10.1792 -10.1339 -10.1339 -0.2380 -0.2380 0.5887 0.5887 1.1338 1.1338 1.5142 1.5142 6.8179 6.8179 6.9364 6.9364 7.7340 7.7340 7.9033 7.9033 k =-0.1263 0.3011 1.0797 ( 5764 PWs) bands (ev): -71.3659 -71.3659 -38.3083 -38.3083 -38.0283 -38.0283 -38.0111 -38.0111 -26.7248 -26.7248 -26.7201 -26.7201 -10.4839 -10.4839 -10.4724 -10.4724 -10.2529 -10.2529 -10.2108 -10.2108 -10.1765 -10.1765 -10.1323 -10.1323 -0.2790 -0.2790 0.5749 0.5749 1.1360 1.1360 1.5705 1.5705 6.8263 6.8263 6.8873 6.8873 7.7867 7.7867 7.9522 7.9522 k =-0.1327 0.3162 1.0633 ( 5762 PWs) bands (ev): -71.3659 -71.3659 -38.3083 -38.3083 -38.0283 -38.0283 -38.0111 -38.0111 -26.7251 -26.7251 -26.7205 -26.7205 -10.4841 -10.4841 -10.4716 -10.4716 -10.2517 -10.2517 -10.2096 -10.2096 -10.1735 -10.1735 -10.1306 -10.1306 -0.3186 -0.3186 0.5609 0.5609 1.1383 1.1383 1.6256 1.6256 6.8345 6.8345 6.8387 6.8387 7.8416 7.8416 7.9996 7.9996 k =-0.1390 0.3313 1.0470 ( 5762 PWs) bands (ev): -71.3659 -71.3659 -38.3083 -38.3083 -38.0282 -38.0282 -38.0111 -38.0111 -26.7255 -26.7255 -26.7209 -26.7209 -10.4844 -10.4844 -10.4709 -10.4709 -10.2505 -10.2505 -10.2086 -10.2086 -10.1702 -10.1702 -10.1288 -10.1288 -0.3568 -0.3568 0.5468 0.5468 1.1407 1.1407 1.6794 1.6794 6.7861 6.7861 6.8477 6.8477 7.8977 7.8977 8.0459 8.0459 k =-0.1453 0.3464 1.0306 ( 5764 PWs) bands (ev): -71.3659 -71.3659 -38.3082 -38.3082 -38.0282 -38.0282 -38.0111 -38.0111 -26.7258 -26.7258 -26.7213 -26.7213 -10.4848 -10.4848 -10.4703 -10.4703 -10.2492 -10.2492 -10.2078 -10.2078 -10.1667 -10.1667 -10.1269 -10.1269 -0.3935 -0.3935 0.5326 0.5326 1.1430 1.1430 1.7319 1.7319 6.7351 6.7351 6.8607 6.8607 7.9533 7.9533 8.0920 8.0920 k =-0.1517 0.3615 1.0142 ( 5764 PWs) bands (ev): -71.3659 -71.3659 -38.3082 -38.3082 -38.0282 -38.0282 -38.0111 -38.0111 -26.7262 -26.7262 -26.7218 -26.7218 -10.4852 -10.4852 -10.4698 -10.4698 -10.2479 -10.2479 -10.2072 -10.2072 -10.1629 -10.1629 -10.1248 -10.1248 -0.4286 -0.4286 0.5185 0.5185 1.1454 1.1454 1.7827 1.7827 6.6842 6.6842 6.8754 6.8754 8.0058 8.0058 8.1404 8.1404 k =-0.1580 0.3766 0.9978 ( 5775 PWs) bands (ev): -71.3659 -71.3659 -38.3082 -38.3082 -38.0282 -38.0282 -38.0111 -38.0111 -26.7265 -26.7265 -26.7222 -26.7222 -10.4858 -10.4858 -10.4694 -10.4694 -10.2466 -10.2466 -10.2066 -10.2066 -10.1589 -10.1589 -10.1226 -10.1226 -0.4622 -0.4622 0.5044 0.5044 1.1478 1.1478 1.8319 1.8319 6.6338 6.6338 6.8915 6.8915 8.0518 8.0518 8.1940 8.1940 k =-0.1643 0.3917 0.9815 ( 5780 PWs) bands (ev): -71.3659 -71.3659 -38.3082 -38.3082 -38.0282 -38.0282 -38.0111 -38.0111 -26.7269 -26.7269 -26.7226 -26.7226 -10.4864 -10.4864 -10.4690 -10.4690 -10.2453 -10.2453 -10.2061 -10.2061 -10.1548 -10.1548 -10.1204 -10.1204 -0.4942 -0.4942 0.4906 0.4906 1.1501 1.1501 1.8792 1.8792 6.5844 6.5844 6.9092 6.9092 8.0895 8.0895 8.2549 8.2549 k =-0.1707 0.4068 0.9651 ( 5792 PWs) bands (ev): -71.3659 -71.3659 -38.3082 -38.3082 -38.0282 -38.0282 -38.0111 -38.0111 -26.7272 -26.7272 -26.7230 -26.7230 -10.4871 -10.4871 -10.4688 -10.4688 -10.2441 -10.2441 -10.2057 -10.2057 -10.1507 -10.1507 -10.1181 -10.1181 -0.5245 -0.5245 0.4771 0.4771 1.1524 1.1524 1.9245 1.9245 6.5362 6.5362 6.9280 6.9280 8.1193 8.1193 8.3228 8.3228 k =-0.1770 0.4219 0.9487 ( 5791 PWs) bands (ev): -71.3659 -71.3659 -38.3082 -38.3082 -38.0281 -38.0281 -38.0111 -38.0111 -26.7275 -26.7275 -26.7234 -26.7234 -10.4878 -10.4878 -10.4686 -10.4686 -10.2429 -10.2429 -10.2053 -10.2053 -10.1465 -10.1465 -10.1157 -10.1157 -0.5531 -0.5531 0.4639 0.4639 1.1546 1.1546 1.9676 1.9676 6.4897 6.4897 6.9479 6.9479 8.1431 8.1431 8.3964 8.3964 k =-0.1833 0.4370 0.9324 ( 5787 PWs) bands (ev): -71.3659 -71.3659 -38.3082 -38.3082 -38.0281 -38.0281 -38.0111 -38.0111 -26.7279 -26.7279 -26.7238 -26.7238 -10.4886 -10.4886 -10.4685 -10.4685 -10.2419 -10.2419 -10.2049 -10.2049 -10.1423 -10.1423 -10.1134 -10.1134 -0.5800 -0.5800 0.4512 0.4512 1.1567 1.1567 2.0086 2.0086 6.4449 6.4449 6.9685 6.9685 8.1628 8.1628 8.4706 8.4706 k =-0.1897 0.4521 0.9160 ( 5788 PWs) bands (ev): -71.3659 -71.3659 -38.3081 -38.3081 -38.0281 -38.0281 -38.0111 -38.0111 -26.7282 -26.7282 -26.7241 -26.7241 -10.4893 -10.4893 -10.4685 -10.4685 -10.2409 -10.2409 -10.2046 -10.2046 -10.1381 -10.1381 -10.1110 -10.1110 -0.6052 -0.6052 0.4390 0.4390 1.1587 1.1587 2.0471 2.0471 6.4023 6.4023 6.9894 6.9894 8.1802 8.1802 8.4531 8.4531 k =-0.1960 0.4672 0.8996 ( 5786 PWs) bands (ev): -71.3659 -71.3659 -38.3081 -38.3081 -38.0281 -38.0281 -38.0111 -38.0111 -26.7285 -26.7285 -26.7245 -26.7245 -10.4901 -10.4901 -10.4685 -10.4685 -10.2400 -10.2400 -10.2043 -10.2043 -10.1341 -10.1341 -10.1086 -10.1086 -0.6286 -0.6286 0.4274 0.4274 1.1606 1.1606 2.0832 2.0832 6.3619 6.3619 7.0105 7.0105 8.1967 8.1967 8.4364 8.4364 k =-0.2023 0.4823 0.8832 ( 5780 PWs) bands (ev): -71.3659 -71.3659 -38.3081 -38.3081 -38.0280 -38.0280 -38.0111 -38.0111 -26.7288 -26.7288 -26.7248 -26.7248 -10.4909 -10.4909 -10.4686 -10.4686 -10.2392 -10.2392 -10.2040 -10.2040 -10.1302 -10.1302 -10.1063 -10.1063 -0.6502 -0.6502 0.4164 0.4164 1.1624 1.1624 2.1168 2.1168 6.3242 6.3242 7.0312 7.0312 8.2133 8.2133 8.4207 8.4207 k =-0.2087 0.4974 0.8669 ( 5778 PWs) bands (ev): -71.3659 -71.3659 -38.3081 -38.3081 -38.0280 -38.0280 -38.0111 -38.0111 -26.7291 -26.7291 -26.7251 -26.7251 -10.4917 -10.4917 -10.4687 -10.4687 -10.2384 -10.2384 -10.2038 -10.2038 -10.1265 -10.1265 -10.1041 -10.1041 -0.6700 -0.6700 0.4062 0.4062 1.1640 1.1640 2.1477 2.1477 6.2891 6.2891 7.0512 7.0512 8.2311 8.2311 8.4061 8.4061 k =-0.2150 0.5125 0.8505 ( 5774 PWs) bands (ev): -71.3659 -71.3659 -38.3081 -38.3081 -38.0280 -38.0280 -38.0110 -38.0110 -26.7293 -26.7293 -26.7254 -26.7254 -10.4924 -10.4924 -10.4689 -10.4689 -10.2378 -10.2378 -10.2035 -10.2035 -10.1230 -10.1230 -10.1020 -10.1020 -0.6880 -0.6880 0.3968 0.3968 1.1655 1.1655 2.1759 2.1759 6.2569 6.2569 7.0701 7.0701 8.2507 8.2507 8.3927 8.3927 k =-0.2213 0.5276 0.8341 ( 5774 PWs) bands (ev): -71.3659 -71.3659 -38.3081 -38.3081 -38.0280 -38.0280 -38.0110 -38.0110 -26.7295 -26.7295 -26.7256 -26.7256 -10.4931 -10.4931 -10.4690 -10.4690 -10.2373 -10.2373 -10.2033 -10.2033 -10.1198 -10.1198 -10.1000 -10.1000 -0.7041 -0.7041 0.3882 0.3882 1.1669 1.1669 2.2012 2.2012 6.2277 6.2277 7.0876 7.0876 8.2728 8.2728 8.3806 8.3806 k =-0.2277 0.5427 0.8177 ( 5778 PWs) bands (ev): -71.3659 -71.3659 -38.3081 -38.3081 -38.0280 -38.0280 -38.0110 -38.0110 -26.7297 -26.7297 -26.7259 -26.7259 -10.4938 -10.4938 -10.4691 -10.4691 -10.2369 -10.2369 -10.2031 -10.2031 -10.1168 -10.1168 -10.0982 -10.0982 -0.7184 -0.7184 0.3805 0.3805 1.1681 1.1681 2.2238 2.2238 6.2017 6.2017 7.1034 7.1034 8.2974 8.2974 8.3697 8.3697 k =-0.2340 0.5578 0.8014 ( 5782 PWs) bands (ev): -71.3659 -71.3659 -38.3081 -38.3081 -38.0280 -38.0280 -38.0110 -38.0110 -26.7299 -26.7299 -26.7261 -26.7261 -10.4943 -10.4943 -10.4693 -10.4693 -10.2365 -10.2365 -10.2029 -10.2029 -10.1142 -10.1142 -10.0966 -10.0966 -0.7308 -0.7308 0.3737 0.3737 1.1692 1.1692 2.2434 2.2434 6.1789 6.1789 7.1173 7.1173 8.3244 8.3244 8.3603 8.3603 k =-0.2403 0.5729 0.7850 ( 5774 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0279 -38.0279 -38.0110 -38.0110 -26.7301 -26.7301 -26.7262 -26.7262 -10.4948 -10.4948 -10.4694 -10.4694 -10.2362 -10.2362 -10.2028 -10.2028 -10.1119 -10.1119 -10.0953 -10.0953 -0.7413 -0.7413 0.3679 0.3679 1.1701 1.1701 2.2601 2.2601 6.1595 6.1595 7.1292 7.1292 8.3503 8.3503 8.3553 8.3553 k =-0.2467 0.5880 0.7686 ( 5774 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0279 -38.0279 -38.0110 -38.0110 -26.7302 -26.7302 -26.7264 -26.7264 -10.4953 -10.4953 -10.4696 -10.4696 -10.2360 -10.2360 -10.2027 -10.2027 -10.1100 -10.1100 -10.0941 -10.0941 -0.7499 -0.7499 0.3631 0.3631 1.1708 1.1708 2.2738 2.2738 6.1436 6.1436 7.1389 7.1389 8.3451 8.3451 8.3835 8.3835 k =-0.2530 0.6031 0.7523 ( 5774 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0279 -38.0279 -38.0110 -38.0110 -26.7303 -26.7303 -26.7265 -26.7265 -10.4956 -10.4956 -10.4697 -10.4697 -10.2358 -10.2358 -10.2026 -10.2026 -10.1085 -10.1085 -10.0932 -10.0932 -0.7566 -0.7566 0.3594 0.3594 1.1714 1.1714 2.2845 2.2845 6.1311 6.1311 7.1465 7.1465 8.3400 8.3400 8.4121 8.4121 k =-0.2593 0.6182 0.7359 ( 5774 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0279 -38.0279 -38.0110 -38.0110 -26.7304 -26.7304 -26.7266 -26.7266 -10.4958 -10.4958 -10.4697 -10.4697 -10.2357 -10.2357 -10.2025 -10.2025 -10.1074 -10.1074 -10.0925 -10.0925 -0.7614 -0.7614 0.3567 0.3567 1.1718 1.1718 2.2921 2.2921 6.1221 6.1221 7.1518 7.1518 8.3362 8.3362 8.4367 8.4367 k =-0.2657 0.6333 0.7195 ( 5771 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0279 -38.0279 -38.0110 -38.0110 -26.7304 -26.7304 -26.7266 -26.7266 -10.4960 -10.4960 -10.4698 -10.4698 -10.2356 -10.2356 -10.2024 -10.2024 -10.1068 -10.1068 -10.0921 -10.0921 -0.7643 -0.7643 0.3550 0.3550 1.1720 1.1720 2.2967 2.2967 6.1167 6.1167 7.1550 7.1550 8.3340 8.3340 8.4538 8.4538 k =-0.2720 0.6484 0.7031 ( 5777 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0279 -38.0279 -38.0110 -38.0110 -26.7304 -26.7304 -26.7266 -26.7266 -10.4960 -10.4960 -10.4698 -10.4698 -10.2356 -10.2356 -10.2024 -10.2024 -10.1065 -10.1065 -10.0920 -10.0920 -0.7652 -0.7652 0.3545 0.3545 1.1721 1.1721 2.2983 2.2983 6.1149 6.1149 7.1561 7.1561 8.3332 8.3332 8.4600 8.4600 k =-0.2720 0.6484 0.7031 ( 5777 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0279 -38.0279 -38.0110 -38.0110 -26.7304 -26.7304 -26.7266 -26.7266 -10.4960 -10.4960 -10.4698 -10.4698 -10.2356 -10.2356 -10.2024 -10.2024 -10.1065 -10.1065 -10.0920 -10.0920 -0.7652 -0.7652 0.3545 0.3545 1.1721 1.1721 2.2983 2.2983 6.1149 6.1149 7.1561 7.1561 8.3332 8.3332 8.4600 8.4600 k =-0.2657 0.6333 0.6868 ( 5769 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0279 -38.0279 -38.0110 -38.0110 -26.7307 -26.7307 -26.7262 -26.7262 -10.4968 -10.4968 -10.4709 -10.4709 -10.2379 -10.2379 -10.2012 -10.2012 -10.1068 -10.1068 -10.0911 -10.0911 -0.7401 -0.7401 0.3211 0.3211 1.1970 1.1970 2.2929 2.2929 6.0904 6.0904 7.1341 7.1341 8.3516 8.3516 8.4482 8.4482 k =-0.2593 0.6182 0.6704 ( 5781 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0279 -38.0279 -38.0110 -38.0110 -26.7310 -26.7310 -26.7257 -26.7257 -10.4974 -10.4974 -10.4716 -10.4716 -10.2401 -10.2401 -10.1999 -10.1999 -10.1074 -10.1074 -10.0901 -10.0901 -0.7254 -0.7254 0.2999 0.2999 1.2191 1.2191 2.2861 2.2861 6.0718 6.0718 7.1136 7.1136 8.3723 8.3723 8.4365 8.4365 k =-0.2530 0.6032 0.6541 ( 5781 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0279 -38.0279 -38.0110 -38.0110 -26.7314 -26.7314 -26.7253 -26.7253 -10.4977 -10.4977 -10.4719 -10.4719 -10.2421 -10.2421 -10.1985 -10.1985 -10.1081 -10.1081 -10.0889 -10.0889 -0.7225 -0.7225 0.2924 0.2924 1.2380 1.2380 2.2780 2.2780 6.0594 6.0594 7.0943 7.0943 8.3950 8.3950 8.4252 8.4252 k =-0.2467 0.5881 0.6377 ( 5785 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0279 -38.0279 -38.0110 -38.0110 -26.7318 -26.7318 -26.7249 -26.7249 -10.4979 -10.4979 -10.4717 -10.4717 -10.2440 -10.2440 -10.1969 -10.1969 -10.1089 -10.1089 -10.0877 -10.0877 -0.7317 -0.7317 0.2990 0.2990 1.2537 1.2537 2.2685 2.2685 6.0533 6.0533 7.0758 7.0758 8.4128 8.4128 8.4212 8.4212 k =-0.2404 0.5730 0.6214 ( 5789 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0279 -38.0279 -38.0110 -38.0110 -26.7322 -26.7322 -26.7245 -26.7245 -10.4979 -10.4979 -10.4710 -10.4710 -10.2458 -10.2458 -10.1952 -10.1952 -10.1098 -10.1098 -10.0865 -10.0865 -0.7526 -0.7526 0.3192 0.3192 1.2662 1.2662 2.2578 2.2578 6.0536 6.0536 7.0577 7.0577 8.4029 8.4029 8.4473 8.4473 k =-0.2340 0.5579 0.6050 ( 5787 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0279 -38.0279 -38.0110 -38.0110 -26.7327 -26.7327 -26.7242 -26.7242 -10.4977 -10.4977 -10.4698 -10.4698 -10.2474 -10.2474 -10.1934 -10.1934 -10.1108 -10.1108 -10.0852 -10.0852 -0.7838 -0.7838 0.3516 0.3516 1.2753 1.2753 2.2458 2.2458 6.0605 6.0605 7.0397 7.0397 8.3927 8.3927 8.4762 8.4762 k =-0.2277 0.5428 0.5887 ( 5779 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0279 -38.0279 -38.0110 -38.0110 -26.7332 -26.7332 -26.7239 -26.7239 -10.4974 -10.4974 -10.4681 -10.4681 -10.2488 -10.2488 -10.1915 -10.1915 -10.1118 -10.1118 -10.0839 -10.0839 -0.8234 -0.8234 0.3943 0.3943 1.2812 1.2812 2.2327 2.2327 6.0740 6.0740 7.0215 7.0215 8.3829 8.3829 8.5069 8.5069 k =-0.2214 0.5278 0.5723 ( 5789 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0279 -38.0279 -38.0110 -38.0110 -26.7337 -26.7337 -26.7237 -26.7237 -10.4971 -10.4971 -10.4660 -10.4660 -10.2501 -10.2501 -10.1896 -10.1896 -10.1129 -10.1129 -10.0827 -10.0827 -0.8695 -0.8695 0.4454 0.4454 1.2836 1.2836 2.2185 2.2185 6.0939 6.0939 7.0029 7.0029 8.3735 8.3735 8.5393 8.5393 k =-0.2151 0.5127 0.5560 ( 5797 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0279 -38.0279 -38.0110 -38.0110 -26.7342 -26.7342 -26.7234 -26.7234 -10.4966 -10.4966 -10.4633 -10.4633 -10.2511 -10.2511 -10.1875 -10.1875 -10.1140 -10.1140 -10.0815 -10.0815 -0.9206 -0.9206 0.5033 0.5033 1.2829 1.2829 2.2033 2.2033 6.1204 6.1204 6.9838 6.9838 8.3645 8.3645 8.5732 8.5732 k =-0.2087 0.4976 0.5396 ( 5789 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0279 -38.0279 -38.0110 -38.0110 -26.7348 -26.7348 -26.7232 -26.7232 -10.4961 -10.4961 -10.4602 -10.4602 -10.2519 -10.2519 -10.1853 -10.1853 -10.1150 -10.1150 -10.0803 -10.0803 -0.9752 -0.9752 0.5664 0.5664 1.2790 1.2790 2.1872 2.1872 6.1532 6.1532 6.9640 6.9640 8.3560 8.3560 8.6085 8.6085 k =-0.2024 0.4825 0.5233 ( 5789 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0279 -38.0279 -38.0110 -38.0110 -26.7354 -26.7354 -26.7231 -26.7231 -10.4955 -10.4955 -10.4567 -10.4567 -10.2525 -10.2525 -10.1830 -10.1830 -10.1161 -10.1161 -10.0792 -10.0792 -1.0321 -1.0321 0.6337 0.6337 1.2721 1.2721 2.1703 2.1703 6.1922 6.1922 6.9436 6.9436 8.3477 8.3477 8.6450 8.6450 k =-0.1961 0.4675 0.5069 ( 5785 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0279 -38.0279 -38.0110 -38.0110 -26.7360 -26.7360 -26.7229 -26.7229 -10.4949 -10.4949 -10.4528 -10.4528 -10.2529 -10.2529 -10.1806 -10.1806 -10.1171 -10.1171 -10.0781 -10.0781 -1.0906 -1.0906 0.7042 0.7042 1.2624 1.2624 2.1526 2.1526 6.2371 6.2371 6.9228 6.9228 8.3398 8.3398 8.6823 8.6823 k =-0.1898 0.4524 0.4906 ( 5773 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0278 -38.0278 -38.0110 -38.0110 -26.7366 -26.7366 -26.7228 -26.7228 -10.4942 -10.4942 -10.4486 -10.4486 -10.2530 -10.2530 -10.1782 -10.1782 -10.1180 -10.1180 -10.0771 -10.0771 -1.1499 -1.1499 0.7770 0.7770 1.2501 1.2501 2.1344 2.1344 6.2878 6.2878 6.9017 6.9017 8.3320 8.3320 8.7201 8.7201 k =-0.1834 0.4373 0.4742 ( 5775 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0278 -38.0278 -38.0110 -38.0110 -26.7373 -26.7373 -26.7228 -26.7228 -10.4936 -10.4936 -10.4441 -10.4441 -10.2528 -10.2528 -10.1756 -10.1756 -10.1189 -10.1189 -10.0762 -10.0762 -1.2096 -1.2096 0.8517 0.8517 1.2354 1.2354 2.1157 2.1157 6.3439 6.3439 6.8806 6.8806 8.3244 8.3244 8.7580 8.7580 k =-0.1771 0.4222 0.4579 ( 5775 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0278 -38.0278 -38.0110 -38.0110 -26.7380 -26.7380 -26.7227 -26.7227 -10.4930 -10.4930 -10.4393 -10.4393 -10.2524 -10.2524 -10.1730 -10.1730 -10.1197 -10.1197 -10.0753 -10.0753 -1.2691 -1.2691 0.9275 0.9275 1.2185 1.2185 2.0966 2.0966 6.4051 6.4051 6.8598 6.8598 8.3169 8.3169 8.7956 8.7956 k =-0.1708 0.4071 0.4415 ( 5769 PWs) bands (ev): -71.3659 -71.3659 -38.3079 -38.3079 -38.0278 -38.0278 -38.0110 -38.0110 -26.7387 -26.7387 -26.7227 -26.7227 -10.4924 -10.4924 -10.4343 -10.4343 -10.2518 -10.2518 -10.1703 -10.1703 -10.1203 -10.1203 -10.0744 -10.0744 -1.3281 -1.3281 1.0041 1.0041 1.1996 1.1996 2.0773 2.0773 6.4711 6.4711 6.8398 6.8398 8.3095 8.3095 8.8323 8.8323 k =-0.1645 0.3921 0.4252 ( 5765 PWs) bands (ev): -71.3659 -71.3659 -38.3079 -38.3079 -38.0277 -38.0277 -38.0110 -38.0110 -26.7394 -26.7394 -26.7227 -26.7227 -10.4919 -10.4919 -10.4291 -10.4291 -10.2509 -10.2509 -10.1675 -10.1675 -10.1209 -10.1209 -10.0737 -10.0737 -1.3863 -1.3863 1.0810 1.0810 1.1791 1.1791 2.0578 2.0578 6.5415 6.5415 6.8208 6.8208 8.3021 8.3021 8.8674 8.8674 k =-0.1581 0.3770 0.4088 ( 5767 PWs) bands (ev): -71.3659 -71.3659 -38.3079 -38.3079 -38.0277 -38.0277 -38.0110 -38.0110 -26.7401 -26.7401 -26.7227 -26.7227 -10.4915 -10.4915 -10.4239 -10.4239 -10.2497 -10.2497 -10.1646 -10.1646 -10.1212 -10.1212 -10.0730 -10.0730 -1.4436 -1.4436 1.1570 1.1570 1.1579 1.1579 2.0384 2.0384 6.6159 6.6159 6.8034 6.8034 8.2946 8.2946 8.9001 8.9001 k =-0.1518 0.3619 0.3925 ( 5765 PWs) bands (ev): -71.3659 -71.3659 -38.3079 -38.3079 -38.0277 -38.0277 -38.0110 -38.0110 -26.7408 -26.7408 -26.7228 -26.7228 -10.4911 -10.4911 -10.4185 -10.4185 -10.2484 -10.2484 -10.1617 -10.1617 -10.1214 -10.1214 -10.0724 -10.0724 -1.4997 -1.4997 1.1339 1.1339 1.2342 1.2342 2.0192 2.0192 6.6938 6.6938 6.7879 6.7879 8.2870 8.2870 8.9297 8.9297 k =-0.1455 0.3468 0.3761 ( 5769 PWs) bands (ev): -71.3659 -71.3659 -38.3079 -38.3079 -38.0277 -38.0277 -38.0110 -38.0110 -26.7415 -26.7415 -26.7228 -26.7228 -10.4908 -10.4908 -10.4131 -10.4131 -10.2468 -10.2468 -10.1587 -10.1587 -10.1213 -10.1213 -10.0718 -10.0718 -1.5544 -1.5544 1.1098 1.1098 1.3097 1.3097 2.0003 2.0003 6.7732 6.7732 6.7764 6.7764 8.2794 8.2794 8.9554 8.9554 k =-0.1392 0.3317 0.3597 ( 5773 PWs) bands (ev): -71.3659 -71.3659 -38.3079 -38.3079 -38.0277 -38.0277 -38.0110 -38.0110 -26.7422 -26.7422 -26.7229 -26.7229 -10.4907 -10.4907 -10.4077 -10.4077 -10.2451 -10.2451 -10.1558 -10.1558 -10.1209 -10.1209 -10.0713 -10.0713 -1.6077 -1.6077 1.0850 1.0850 1.3838 1.3838 1.9821 1.9821 6.7641 6.7641 6.8586 6.8586 8.2717 8.2717 8.9765 8.9765 k =-0.1328 0.3167 0.3434 ( 5769 PWs) bands (ev): -71.3659 -71.3659 -38.3078 -38.3078 -38.0276 -38.0276 -38.0109 -38.0109 -26.7429 -26.7429 -26.7230 -26.7230 -10.4907 -10.4907 -10.4024 -10.4024 -10.2432 -10.2432 -10.1528 -10.1528 -10.1202 -10.1202 -10.0709 -10.0709 -1.6593 -1.6593 1.0597 1.0597 1.4561 1.4561 1.9647 1.9647 6.7567 6.7567 6.9444 6.9444 8.2639 8.2639 8.9926 8.9926 k =-0.1265 0.3016 0.3270 ( 5769 PWs) bands (ev): -71.3659 -71.3659 -38.3078 -38.3078 -38.0276 -38.0276 -38.0109 -38.0109 -26.7436 -26.7436 -26.7231 -26.7231 -10.4907 -10.4907 -10.3971 -10.3971 -10.2413 -10.2413 -10.1500 -10.1500 -10.1192 -10.1192 -10.0706 -10.0706 -1.7092 -1.7092 1.0341 1.0341 1.5258 1.5258 1.9488 1.9488 6.7526 6.7526 7.0315 7.0315 8.2560 8.2560 9.0035 9.0035 k =-0.1202 0.2865 0.3107 ( 5769 PWs) bands (ev): -71.3659 -71.3659 -38.3078 -38.3078 -38.0276 -38.0276 -38.0109 -38.0109 -26.7443 -26.7443 -26.7232 -26.7232 -10.4909 -10.4909 -10.3920 -10.3920 -10.2393 -10.2393 -10.1472 -10.1472 -10.1178 -10.1178 -10.0703 -10.0703 -1.7572 -1.7572 1.0085 1.0085 1.5921 1.5921 1.9350 1.9350 6.7522 6.7522 7.1195 7.1195 8.2480 8.2480 9.0096 9.0096 k =-0.1139 0.2714 0.2943 ( 5765 PWs) bands (ev): -71.3659 -71.3659 -38.3078 -38.3078 -38.0275 -38.0275 -38.0109 -38.0109 -26.7450 -26.7450 -26.7234 -26.7234 -10.4912 -10.4912 -10.3870 -10.3870 -10.2372 -10.2372 -10.1446 -10.1446 -10.1159 -10.1159 -10.0701 -10.0701 -1.8032 -1.8032 0.9830 0.9830 1.6531 1.6531 1.9249 1.9249 6.7558 6.7558 7.2074 7.2074 8.2401 8.2401 9.0118 9.0118 k =-0.1075 0.2563 0.2780 ( 5769 PWs) bands (ev): -71.3659 -71.3659 -38.3078 -38.3078 -38.0275 -38.0275 -38.0109 -38.0109 -26.7456 -26.7456 -26.7235 -26.7235 -10.4916 -10.4916 -10.3822 -10.3822 -10.2352 -10.2352 -10.1421 -10.1421 -10.1137 -10.1137 -10.0700 -10.0700 -1.8473 -1.8473 0.9579 0.9579 1.7058 1.7058 1.9214 1.9214 6.7637 6.7637 7.2945 7.2945 8.2321 8.2321 9.0115 9.0115 k =-0.1012 0.2413 0.2616 ( 5769 PWs) bands (ev): -71.3659 -71.3659 -38.3078 -38.3078 -38.0275 -38.0275 -38.0109 -38.0109 -26.7463 -26.7463 -26.7237 -26.7237 -10.4920 -10.4920 -10.3776 -10.3776 -10.2332 -10.2332 -10.1397 -10.1397 -10.1111 -10.1111 -10.0699 -10.0699 -1.8892 -1.8892 0.9333 0.9333 1.7451 1.7451 1.9294 1.9294 6.7761 6.7761 7.3799 7.3799 8.2241 8.2241 9.0101 9.0101 k =-0.0949 0.2262 0.2453 ( 5769 PWs) bands (ev): -71.3659 -71.3659 -38.3077 -38.3077 -38.0275 -38.0275 -38.0109 -38.0109 -26.7469 -26.7469 -26.7238 -26.7238 -10.4925 -10.4925 -10.3732 -10.3732 -10.2313 -10.2313 -10.1374 -10.1374 -10.1082 -10.1082 -10.0699 -10.0699 -1.9290 -1.9290 0.9094 0.9094 1.7667 1.7667 1.9530 1.9530 6.7931 6.7931 7.4624 7.4624 8.2163 8.2163 9.0096 9.0096 k =-0.0886 0.2111 0.2289 ( 5769 PWs) bands (ev): -71.3659 -71.3659 -38.3077 -38.3077 -38.0274 -38.0274 -38.0109 -38.0109 -26.7475 -26.7475 -26.7240 -26.7240 -10.4931 -10.4931 -10.3691 -10.3691 -10.2295 -10.2295 -10.1352 -10.1352 -10.1050 -10.1050 -10.0700 -10.0700 -1.9665 -1.9665 0.8863 0.8863 1.7729 1.7729 1.9897 1.9897 6.8149 6.8149 7.5409 7.5409 8.2086 8.2086 9.0117 9.0117 k =-0.0822 0.1960 0.2126 ( 5763 PWs) bands (ev): -71.3659 -71.3659 -38.3077 -38.3077 -38.0274 -38.0274 -38.0109 -38.0109 -26.7480 -26.7480 -26.7241 -26.7241 -10.4937 -10.4937 -10.3652 -10.3652 -10.2279 -10.2279 -10.1330 -10.1330 -10.1017 -10.1017 -10.0701 -10.0701 -2.0017 -2.0017 0.8642 0.8642 1.7703 1.7703 2.0329 2.0329 6.8416 6.8416 7.6143 7.6143 8.2012 8.2012 9.0184 9.0184 k =-0.0759 0.1809 0.1962 ( 5767 PWs) bands (ev): -71.3659 -71.3659 -38.3077 -38.3077 -38.0274 -38.0274 -38.0109 -38.0109 -26.7486 -26.7486 -26.7243 -26.7243 -10.4944 -10.4944 -10.3617 -10.3617 -10.2264 -10.2264 -10.1308 -10.1308 -10.0983 -10.0983 -10.0703 -10.0703 -2.0345 -2.0345 0.8432 0.8432 1.7634 1.7634 2.0777 2.0777 6.8733 6.8733 7.6813 7.6813 8.1940 8.1940 9.0312 9.0312 k =-0.0696 0.1659 0.1799 ( 5757 PWs) bands (ev): -71.3659 -71.3659 -38.3077 -38.3077 -38.0274 -38.0274 -38.0109 -38.0109 -26.7491 -26.7491 -26.7244 -26.7244 -10.4950 -10.4950 -10.3584 -10.3584 -10.2250 -10.2250 -10.1287 -10.1287 -10.0949 -10.0949 -10.0706 -10.0706 -2.0649 -2.0649 0.8235 0.8235 1.7548 1.7548 2.1217 2.1217 6.9098 6.9098 7.7409 7.7409 8.1871 8.1871 9.0513 9.0513 k =-0.0633 0.1508 0.1635 ( 5765 PWs) bands (ev): -71.3659 -71.3659 -38.3077 -38.3077 -38.0273 -38.0273 -38.0109 -38.0109 -26.7495 -26.7495 -26.7245 -26.7245 -10.4957 -10.4957 -10.3553 -10.3553 -10.2238 -10.2238 -10.1266 -10.1266 -10.0915 -10.0915 -10.0709 -10.0709 -2.0929 -2.0929 0.8051 0.8051 1.7456 1.7456 2.1633 2.1633 6.9511 6.9511 7.7926 7.7926 8.1806 8.1806 9.0060 9.0060 k =-0.0569 0.1357 0.1472 ( 5775 PWs) bands (ev): -71.3659 -71.3659 -38.3077 -38.3077 -38.0273 -38.0273 -38.0109 -38.0109 -26.7499 -26.7499 -26.7247 -26.7247 -10.4963 -10.4963 -10.3526 -10.3526 -10.2227 -10.2227 -10.1246 -10.1246 -10.0883 -10.0883 -10.0712 -10.0712 -2.1183 -2.1183 0.7881 0.7881 1.7366 1.7366 2.2020 2.2020 6.9970 6.9970 7.8359 7.8359 8.1746 8.1746 8.8871 8.8871 k =-0.0506 0.1206 0.1308 ( 5779 PWs) bands (ev): -71.3659 -71.3659 -38.3077 -38.3077 -38.0273 -38.0273 -38.0109 -38.0109 -26.7503 -26.7503 -26.7248 -26.7248 -10.4969 -10.4969 -10.3502 -10.3502 -10.2218 -10.2218 -10.1226 -10.1226 -10.0853 -10.0853 -10.0716 -10.0716 -2.1411 -2.1411 0.7727 0.7727 1.7280 1.7280 2.2373 2.2373 7.0470 7.0470 7.8711 7.8711 8.1690 8.1690 8.7708 8.7708 k =-0.0443 0.1056 0.1145 ( 5779 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0273 -38.0273 -38.0109 -38.0109 -26.7507 -26.7507 -26.7249 -26.7249 -10.4975 -10.4975 -10.3481 -10.3481 -10.2210 -10.2210 -10.1207 -10.1207 -10.0825 -10.0825 -10.0720 -10.0720 -2.1614 -2.1614 0.7590 0.7590 1.7201 1.7201 2.2688 2.2688 7.1006 7.1006 7.8988 7.8988 8.1640 8.1640 8.6580 8.6580 k =-0.0380 0.0905 0.0981 ( 5787 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0273 -38.0273 -38.0109 -38.0109 -26.7510 -26.7510 -26.7250 -26.7250 -10.4980 -10.4980 -10.3462 -10.3462 -10.2203 -10.2203 -10.1189 -10.1189 -10.0800 -10.0800 -10.0724 -10.0724 -2.1790 -2.1790 0.7469 0.7469 1.7130 1.7130 2.2964 2.2964 7.1570 7.1570 7.9199 7.9199 8.1595 8.1595 8.5499 8.5499 k =-0.0316 0.0754 0.0818 ( 5797 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0273 -38.0273 -38.0109 -38.0109 -26.7512 -26.7512 -26.7251 -26.7251 -10.4984 -10.4984 -10.3447 -10.3447 -10.2198 -10.2198 -10.1173 -10.1173 -10.0779 -10.0779 -10.0727 -10.0727 -2.1940 -2.1940 0.7366 0.7366 1.7069 1.7069 2.3199 2.3199 7.2147 7.2147 7.9355 7.9355 8.1557 8.1557 8.4480 8.4480 k =-0.0253 0.0603 0.0654 ( 5807 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0273 -38.0273 -38.0109 -38.0109 -26.7515 -26.7515 -26.7252 -26.7252 -10.4988 -10.4988 -10.3434 -10.3434 -10.2194 -10.2194 -10.1159 -10.1159 -10.0762 -10.0762 -10.0729 -10.0729 -2.2062 -2.2062 0.7280 0.7280 1.7018 1.7018 2.3392 2.3392 7.2720 7.2720 7.9467 7.9467 8.1524 8.1524 8.3545 8.3545 k =-0.0190 0.0452 0.0491 ( 5807 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0273 -38.0273 -38.0109 -38.0109 -26.7516 -26.7516 -26.7252 -26.7252 -10.4991 -10.4991 -10.3424 -10.3424 -10.2191 -10.2191 -10.1148 -10.1148 -10.0752 -10.0752 -10.0728 -10.0728 -2.2158 -2.2158 0.7214 0.7214 1.6978 1.6978 2.3543 2.3543 7.3258 7.3258 7.9544 7.9544 8.1497 8.1497 8.2726 8.2726 k =-0.0127 0.0302 0.0327 ( 5805 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0273 -38.0273 -38.0109 -38.0109 -26.7517 -26.7517 -26.7253 -26.7253 -10.4993 -10.4993 -10.3417 -10.3417 -10.2188 -10.2188 -10.1139 -10.1139 -10.0748 -10.0748 -10.0724 -10.0724 -2.2227 -2.2227 0.7166 0.7166 1.6950 1.6950 2.3652 2.3652 7.3715 7.3715 7.9593 7.9593 8.1475 8.1475 8.2070 8.2070 k =-0.0063 0.0151 0.0164 ( 5819 PWs) bands (ev): -71.3659 -71.3659 -38.3077 -38.3077 -38.0273 -38.0273 -38.0109 -38.0109 -26.7518 -26.7518 -26.7253 -26.7253 -10.4994 -10.4994 -10.3413 -10.3413 -10.2187 -10.2187 -10.1134 -10.1134 -10.0747 -10.0747 -10.0719 -10.0719 -2.2268 -2.2268 0.7137 0.7137 1.6932 1.6932 2.3717 2.3717 7.4031 7.4031 7.9620 7.9620 8.1444 8.1444 8.1652 8.1652 k = 0.0000 0.0000 0.0000 ( 5807 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0273 -38.0273 -38.0109 -38.0109 -26.7518 -26.7518 -26.7253 -26.7253 -10.4995 -10.4995 -10.3412 -10.3412 -10.2187 -10.2187 -10.1133 -10.1133 -10.0747 -10.0747 -10.0718 -10.0718 -2.2281 -2.2281 0.7127 0.7127 1.6927 1.6927 2.3738 2.3738 7.4145 7.4145 7.9629 7.9629 8.1397 8.1397 8.1540 8.1540 k = 0.0000 0.0000 0.0000 ( 5807 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0273 -38.0273 -38.0109 -38.0109 -26.7518 -26.7518 -26.7253 -26.7253 -10.4995 -10.4995 -10.3412 -10.3412 -10.2187 -10.2187 -10.1133 -10.1133 -10.0747 -10.0747 -10.0718 -10.0718 -2.2281 -2.2281 0.7127 0.7127 1.6927 1.6927 2.3738 2.3738 7.4145 7.4145 7.9629 7.9629 8.1397 8.1397 8.1540 8.1540 k = 0.0208 0.0087-0.0000 ( 5815 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0273 -38.0273 -38.0109 -38.0109 -26.7518 -26.7518 -26.7253 -26.7253 -10.4993 -10.4993 -10.3413 -10.3413 -10.2186 -10.2186 -10.1133 -10.1133 -10.0749 -10.0749 -10.0717 -10.0717 -2.2274 -2.2274 0.7094 0.7094 1.6951 1.6951 2.3738 2.3738 7.4141 7.4141 7.9647 7.9647 8.1397 8.1397 8.1540 8.1540 k = 0.0417 0.0175-0.0000 ( 5803 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0273 -38.0273 -38.0109 -38.0109 -26.7518 -26.7518 -26.7254 -26.7254 -10.4987 -10.4987 -10.3417 -10.3417 -10.2182 -10.2182 -10.1135 -10.1135 -10.0755 -10.0755 -10.0715 -10.0715 -2.2250 -2.2250 0.6994 0.6994 1.7021 1.7021 2.3736 2.3736 7.4128 7.4128 7.9701 7.9701 8.1399 8.1399 8.1542 8.1542 k = 0.0625 0.0262-0.0000 ( 5795 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0273 -38.0273 -38.0109 -38.0109 -26.7516 -26.7516 -26.7255 -26.7255 -10.4977 -10.4977 -10.3424 -10.3424 -10.2177 -10.2177 -10.1138 -10.1138 -10.0766 -10.0766 -10.0712 -10.0712 -2.2211 -2.2211 0.6832 0.6832 1.7134 1.7134 2.3733 2.3733 7.4109 7.4109 7.9792 7.9792 8.1402 8.1402 8.1545 8.1545 k = 0.0833 0.0350-0.0000 ( 5803 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0273 -38.0273 -38.0109 -38.0109 -26.7515 -26.7515 -26.7256 -26.7256 -10.4963 -10.4963 -10.3433 -10.3433 -10.2169 -10.2169 -10.1142 -10.1142 -10.0780 -10.0780 -10.0708 -10.0708 -2.2157 -2.2157 0.6615 0.6615 1.7284 1.7284 2.3729 2.3729 7.4084 7.4084 7.9919 7.9919 8.1406 8.1406 8.1548 8.1548 k = 0.1042 0.0437-0.0000 ( 5807 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0273 -38.0273 -38.0109 -38.0109 -26.7513 -26.7513 -26.7258 -26.7258 -10.4946 -10.4946 -10.3445 -10.3445 -10.2160 -10.2160 -10.1147 -10.1147 -10.0798 -10.0798 -10.0703 -10.0703 -2.2089 -2.2089 0.6351 0.6351 1.7464 1.7464 2.3724 2.3724 7.4056 7.4056 8.0081 8.0081 8.1411 8.1411 8.1552 8.1552 k = 0.1250 0.0524-0.0000 ( 5807 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0273 -38.0273 -38.0109 -38.0109 -26.7511 -26.7511 -26.7261 -26.7261 -10.4925 -10.4925 -10.3460 -10.3460 -10.2148 -10.2148 -10.1153 -10.1153 -10.0819 -10.0819 -10.0697 -10.0697 -2.2008 -2.2008 0.6046 0.6046 1.7667 1.7667 2.3718 2.3718 7.4028 7.4028 8.0279 8.0279 8.1417 8.1417 8.1557 8.1557 k = 0.1458 0.0612-0.0000 ( 5791 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0273 -38.0273 -38.0109 -38.0109 -26.7508 -26.7508 -26.7263 -26.7263 -10.4900 -10.4900 -10.3476 -10.3476 -10.2135 -10.2135 -10.1159 -10.1159 -10.0844 -10.0844 -10.0691 -10.0691 -2.1914 -2.1914 0.5711 0.5711 1.7885 1.7885 2.3711 2.3711 7.4002 7.4002 8.0512 8.0512 8.1424 8.1424 8.1563 8.1563 k = 0.1667 0.0699-0.0000 ( 5795 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0273 -38.0273 -38.0109 -38.0109 -26.7505 -26.7505 -26.7266 -26.7266 -10.4872 -10.4872 -10.3496 -10.3496 -10.2119 -10.2119 -10.1166 -10.1166 -10.0873 -10.0873 -10.0684 -10.0684 -2.1808 -2.1808 0.5351 0.5351 1.8113 1.8113 2.3703 2.3703 7.3979 7.3979 8.0779 8.0779 8.1432 8.1432 8.1570 8.1570 k = 0.1875 0.0787-0.0000 ( 5787 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0273 -38.0273 -38.0109 -38.0109 -26.7502 -26.7502 -26.7270 -26.7270 -10.4841 -10.4841 -10.3517 -10.3517 -10.2102 -10.2102 -10.1173 -10.1173 -10.0904 -10.0904 -10.0677 -10.0677 -2.1693 -2.1693 0.4976 0.4976 1.8344 1.8344 2.3695 2.3695 7.3963 7.3963 8.1081 8.1081 8.1440 8.1440 8.1577 8.1577 k = 0.2083 0.0874-0.0000 ( 5795 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0273 -38.0273 -38.0109 -38.0109 -26.7498 -26.7498 -26.7273 -26.7273 -10.4806 -10.4806 -10.3541 -10.3541 -10.2084 -10.2084 -10.1180 -10.1180 -10.0938 -10.0938 -10.0669 -10.0669 -2.1570 -2.1570 0.4592 0.4592 1.8574 1.8574 2.3686 2.3686 7.3955 7.3955 8.1415 8.1415 8.1448 8.1448 8.1584 8.1584 k = 0.2292 0.0961-0.0000 ( 5791 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0273 -38.0273 -38.0109 -38.0109 -26.7494 -26.7494 -26.7277 -26.7277 -10.4770 -10.4770 -10.3567 -10.3567 -10.2064 -10.2064 -10.1187 -10.1187 -10.0974 -10.0974 -10.0662 -10.0662 -2.1440 -2.1440 0.4205 0.4205 1.8799 1.8799 2.3677 2.3677 7.3956 7.3956 8.1457 8.1457 8.1591 8.1591 8.1783 8.1783 k = 0.2500 0.1049-0.0000 ( 5788 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0273 -38.0273 -38.0109 -38.0109 -26.7490 -26.7490 -26.7282 -26.7282 -10.4730 -10.4730 -10.3595 -10.3595 -10.2042 -10.2042 -10.1195 -10.1195 -10.1012 -10.1012 -10.0654 -10.0654 -2.1306 -2.1306 0.3820 0.3820 1.9015 1.9015 2.3668 2.3668 7.3965 7.3965 8.1466 8.1466 8.1598 8.1598 8.2182 8.2182 k = 0.2708 0.1136-0.0000 ( 5788 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0273 -38.0273 -38.0109 -38.0109 -26.7486 -26.7486 -26.7286 -26.7286 -10.4689 -10.4689 -10.3625 -10.3625 -10.2019 -10.2019 -10.1202 -10.1202 -10.1052 -10.1052 -10.0647 -10.0647 -2.1169 -2.1169 0.3444 0.3444 1.9220 1.9220 2.3659 2.3659 7.3984 7.3984 8.1474 8.1474 8.1606 8.1606 8.2612 8.2612 k = 0.2917 0.1224-0.0000 ( 5788 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0273 -38.0273 -38.0109 -38.0109 -26.7481 -26.7481 -26.7290 -26.7290 -10.4645 -10.4645 -10.3656 -10.3656 -10.1995 -10.1995 -10.1209 -10.1209 -10.1092 -10.1092 -10.0640 -10.0640 -2.1032 -2.1032 0.3081 0.3081 1.9411 1.9411 2.3650 2.3650 7.4010 7.4010 8.1483 8.1483 8.1613 8.1613 8.3072 8.3072 k = 0.3125 0.1311-0.0000 ( 5788 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0273 -38.0273 -38.0109 -38.0109 -26.7477 -26.7477 -26.7295 -26.7295 -10.4601 -10.4601 -10.3689 -10.3689 -10.1970 -10.1970 -10.1215 -10.1215 -10.1134 -10.1134 -10.0634 -10.0634 -2.0898 -2.0898 0.2736 0.2736 1.9587 1.9587 2.3641 2.3641 7.4044 7.4044 8.1491 8.1491 8.1620 8.1620 8.3561 8.3561 k = 0.3333 0.1398-0.0000 ( 5768 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0272 -38.0272 -38.0109 -38.0109 -26.7472 -26.7472 -26.7300 -26.7300 -10.4555 -10.4555 -10.3724 -10.3724 -10.1944 -10.1944 -10.1221 -10.1221 -10.1175 -10.1175 -10.0628 -10.0628 -2.0768 -2.0768 0.2413 0.2413 1.9747 1.9747 2.3633 2.3633 7.4083 7.4083 8.1499 8.1499 8.1627 8.1627 8.4077 8.4077 k = 0.3542 0.1486-0.0000 ( 5776 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0272 -38.0272 -38.0109 -38.0109 -26.7468 -26.7468 -26.7304 -26.7304 -10.4508 -10.4508 -10.3760 -10.3760 -10.1918 -10.1918 -10.1226 -10.1226 -10.1216 -10.1216 -10.0622 -10.0622 -2.0646 -2.0646 0.2117 0.2117 1.9890 1.9890 2.3625 2.3625 7.4124 7.4124 8.1506 8.1506 8.1633 8.1633 8.4618 8.4618 k = 0.3750 0.1573-0.0000 ( 5780 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0272 -38.0272 -38.0109 -38.0109 -26.7463 -26.7463 -26.7308 -26.7308 -10.4462 -10.4462 -10.3797 -10.3797 -10.1891 -10.1891 -10.1256 -10.1256 -10.1231 -10.1231 -10.0617 -10.0617 -2.0534 -2.0534 0.1852 0.1852 2.0015 2.0015 2.3619 2.3619 7.4166 7.4166 8.1512 8.1512 8.1638 8.1638 8.5184 8.5184 k = 0.3958 0.1660-0.0000 ( 5772 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0272 -38.0272 -38.0109 -38.0109 -26.7460 -26.7460 -26.7312 -26.7312 -10.4417 -10.4417 -10.3834 -10.3834 -10.1865 -10.1865 -10.1294 -10.1294 -10.1235 -10.1235 -10.0613 -10.0613 -2.0434 -2.0434 0.1621 0.1621 2.0121 2.0121 2.3613 2.3613 7.4207 7.4207 8.1518 8.1518 8.1643 8.1643 8.5770 8.5770 k = 0.4167 0.1748-0.0000 ( 5776 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0273 -38.0273 -38.0109 -38.0109 -26.7456 -26.7456 -26.7315 -26.7315 -10.4373 -10.4373 -10.3870 -10.3870 -10.1841 -10.1841 -10.1329 -10.1329 -10.1239 -10.1239 -10.0610 -10.0610 -2.0348 -2.0348 0.1427 0.1427 2.0208 2.0208 2.3608 2.3608 7.4245 7.4245 8.1523 8.1523 8.1647 8.1647 8.6373 8.6373 k = 0.4375 0.1835-0.0000 ( 5768 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0272 -38.0272 -38.0109 -38.0109 -26.7453 -26.7453 -26.7318 -26.7318 -10.4333 -10.4333 -10.3904 -10.3904 -10.1818 -10.1818 -10.1359 -10.1359 -10.1241 -10.1241 -10.0607 -10.0607 -2.0280 -2.0280 0.1273 0.1273 2.0275 2.0275 2.3604 2.3604 7.4276 7.4276 8.1527 8.1527 8.1650 8.1650 8.6985 8.6985 k = 0.4583 0.1923-0.0000 ( 5772 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0272 -38.0272 -38.0109 -38.0109 -26.7451 -26.7451 -26.7320 -26.7320 -10.4300 -10.4300 -10.3933 -10.3933 -10.1800 -10.1800 -10.1383 -10.1383 -10.1243 -10.1243 -10.0605 -10.0605 -2.0229 -2.0229 0.1161 0.1161 2.0324 2.0324 2.3601 2.3601 7.4300 7.4300 8.1529 8.1529 8.1652 8.1652 8.7587 8.7587 k = 0.4792 0.2010-0.0000 ( 5764 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0272 -38.0272 -38.0109 -38.0109 -26.7450 -26.7450 -26.7322 -26.7322 -10.4276 -10.4276 -10.3954 -10.3954 -10.1788 -10.1788 -10.1399 -10.1399 -10.1245 -10.1245 -10.0604 -10.0604 -2.0199 -2.0199 0.1094 0.1094 2.0353 2.0353 2.3599 2.3599 7.4314 7.4314 8.1531 8.1531 8.1654 8.1654 8.8122 8.8122 k = 0.5000 0.2097-0.0000 ( 5740 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0272 -38.0272 -38.0108 -38.0108 -26.7449 -26.7449 -26.7322 -26.7322 -10.4268 -10.4268 -10.3962 -10.3962 -10.1784 -10.1784 -10.1404 -10.1404 -10.1245 -10.1245 -10.0603 -10.0603 -2.0188 -2.0188 0.1071 0.1071 2.0363 2.0363 2.3598 2.3598 7.4320 7.4320 8.1532 8.1532 8.1655 8.1655 8.8384 8.8384 k = 0.5000 0.2097-0.0000 ( 5740 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0272 -38.0272 -38.0108 -38.0108 -26.7449 -26.7449 -26.7322 -26.7322 -10.4268 -10.4268 -10.3962 -10.3962 -10.1784 -10.1784 -10.1404 -10.1404 -10.1245 -10.1245 -10.0603 -10.0603 -2.0188 -2.0188 0.1071 0.1071 2.0363 2.0363 2.3598 2.3598 7.4320 7.4320 8.1532 8.1532 8.1655 8.1655 8.8384 8.8384 k = 0.4937 0.2248 0.0164 ( 5756 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0272 -38.0272 -38.0109 -38.0109 -26.7449 -26.7449 -26.7322 -26.7322 -10.4268 -10.4268 -10.3962 -10.3962 -10.1784 -10.1784 -10.1407 -10.1407 -10.1244 -10.1244 -10.0605 -10.0605 -2.0176 -2.0176 0.1084 0.1084 2.0365 2.0365 2.3577 2.3577 7.4313 7.4313 8.1533 8.1533 8.1656 8.1656 8.8373 8.8373 k = 0.4873 0.2399 0.0327 ( 5764 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0272 -38.0272 -38.0109 -38.0109 -26.7448 -26.7448 -26.7322 -26.7322 -10.4270 -10.4270 -10.3965 -10.3965 -10.1784 -10.1784 -10.1414 -10.1414 -10.1243 -10.1243 -10.0609 -10.0609 -2.0139 -2.0139 0.1122 0.1122 2.0369 2.0369 2.3514 2.3514 7.4293 7.4293 8.1531 8.1531 8.1666 8.1666 8.8340 8.8340 k = 0.4810 0.2550 0.0491 ( 5768 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0273 -38.0273 -38.0109 -38.0109 -26.7447 -26.7447 -26.7321 -26.7321 -10.4272 -10.4272 -10.3969 -10.3969 -10.1785 -10.1785 -10.1425 -10.1425 -10.1241 -10.1241 -10.0615 -10.0615 -2.0077 -2.0077 0.1185 0.1185 2.0376 2.0376 2.3410 2.3410 7.4259 7.4259 8.1518 8.1518 8.1694 8.1694 8.8281 8.8281 k = 0.4747 0.2701 0.0655 ( 5762 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0272 -38.0272 -38.0109 -38.0109 -26.7446 -26.7446 -26.7321 -26.7321 -10.4276 -10.4276 -10.3974 -10.3974 -10.1787 -10.1787 -10.1440 -10.1440 -10.1238 -10.1238 -10.0624 -10.0624 -1.9991 -1.9991 0.1274 0.1274 2.0384 2.0384 2.3268 2.3268 7.4210 7.4210 8.1492 8.1492 8.1746 8.1746 8.8190 8.8190 k = 0.4683 0.2852 0.0819 ( 5762 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0273 -38.0273 -38.0109 -38.0109 -26.7444 -26.7444 -26.7320 -26.7320 -10.4281 -10.4281 -10.3981 -10.3981 -10.1788 -10.1788 -10.1458 -10.1458 -10.1236 -10.1236 -10.0635 -10.0635 -1.9881 -1.9881 0.1387 0.1387 2.0388 2.0388 2.3091 2.3091 7.4146 7.4146 8.1457 8.1457 8.1818 8.1818 8.8061 8.8061 k = 0.4620 0.3003 0.0982 ( 5754 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0273 -38.0273 -38.0109 -38.0109 -26.7441 -26.7441 -26.7319 -26.7319 -10.4286 -10.4286 -10.3990 -10.3990 -10.1791 -10.1791 -10.1479 -10.1479 -10.1235 -10.1235 -10.0648 -10.0648 -1.9746 -1.9746 0.1525 0.1525 2.0384 2.0384 2.2884 2.2884 7.4064 7.4064 8.1418 8.1418 8.1910 8.1910 8.7891 8.7891 k = 0.4557 0.3154 0.1146 ( 5754 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0273 -38.0273 -38.0109 -38.0109 -26.7438 -26.7438 -26.7318 -26.7318 -10.4294 -10.4294 -10.4000 -10.4000 -10.1795 -10.1795 -10.1501 -10.1501 -10.1234 -10.1234 -10.0663 -10.0663 -1.9587 -1.9587 0.1686 0.1686 2.0365 2.0365 2.2657 2.2657 7.3962 7.3962 8.1378 8.1378 8.2018 8.2018 8.7677 8.7677 k = 0.4493 0.3305 0.1310 ( 5764 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0273 -38.0273 -38.0109 -38.0109 -26.7435 -26.7435 -26.7317 -26.7317 -10.4303 -10.4303 -10.4012 -10.4012 -10.1800 -10.1800 -10.1525 -10.1525 -10.1233 -10.1233 -10.0679 -10.0679 -1.9404 -1.9404 0.1871 0.1871 2.0316 2.0316 2.2423 2.2423 7.3839 7.3839 8.1337 8.1337 8.2143 8.2143 8.7422 8.7422 k = 0.4430 0.3456 0.1474 ( 5768 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0273 -38.0273 -38.0109 -38.0109 -26.7431 -26.7431 -26.7316 -26.7316 -10.4313 -10.4313 -10.4025 -10.4025 -10.1806 -10.1806 -10.1551 -10.1551 -10.1234 -10.1234 -10.0695 -10.0695 -1.9198 -1.9198 0.2079 0.2079 2.0219 2.0219 2.2202 2.2202 7.3692 7.3692 8.1294 8.1294 8.2282 8.2282 8.7133 8.7133 k = 0.4367 0.3607 0.1637 ( 5776 PWs) bands (ev): -71.3659 -71.3659 -38.3077 -38.3077 -38.0273 -38.0273 -38.0109 -38.0109 -26.7427 -26.7427 -26.7314 -26.7314 -10.4325 -10.4325 -10.4040 -10.4040 -10.1814 -10.1814 -10.1577 -10.1577 -10.1235 -10.1235 -10.0712 -10.0712 -1.8968 -1.8968 0.2309 0.2309 2.0051 2.0051 2.2019 2.2019 7.3518 7.3518 8.1243 8.1243 8.2436 8.2436 8.6822 8.6822 k = 0.4303 0.3758 0.1801 ( 5780 PWs) bands (ev): -71.3659 -71.3659 -38.3077 -38.3077 -38.0274 -38.0274 -38.0109 -38.0109 -26.7422 -26.7422 -26.7313 -26.7313 -10.4339 -10.4339 -10.4056 -10.4056 -10.1824 -10.1824 -10.1604 -10.1604 -10.1236 -10.1236 -10.0729 -10.0729 -1.8715 -1.8715 0.2561 0.2561 1.9795 1.9795 2.1893 2.1893 7.3314 7.3314 8.1177 8.1177 8.2603 8.2603 8.6507 8.6507 k = 0.4240 0.3909 0.1965 ( 5784 PWs) bands (ev): -71.3659 -71.3659 -38.3077 -38.3077 -38.0274 -38.0274 -38.0109 -38.0109 -26.7417 -26.7417 -26.7311 -26.7311 -10.4355 -10.4355 -10.4073 -10.4073 -10.1836 -10.1836 -10.1631 -10.1631 -10.1238 -10.1238 -10.0746 -10.0746 -1.8440 -1.8440 0.2833 0.2833 1.9446 1.9446 2.1826 2.1826 7.3077 7.3077 8.1081 8.1081 8.2783 8.2783 8.6212 8.6212 k = 0.4177 0.4060 0.2128 ( 5790 PWs) bands (ev): -71.3659 -71.3659 -38.3077 -38.3077 -38.0274 -38.0274 -38.0109 -38.0109 -26.7412 -26.7412 -26.7310 -26.7310 -10.4373 -10.4373 -10.4092 -10.4092 -10.1850 -10.1850 -10.1659 -10.1659 -10.1239 -10.1239 -10.0762 -10.0762 -1.8142 -1.8142 0.3124 0.3124 1.9017 1.9017 2.1810 2.1810 7.2805 7.2805 8.0941 8.0941 8.2972 8.2972 8.5961 8.5961 k = 0.4113 0.4211 0.2292 ( 5796 PWs) bands (ev): -71.3659 -71.3659 -38.3077 -38.3077 -38.0275 -38.0275 -38.0110 -38.0110 -26.7407 -26.7407 -26.7308 -26.7308 -10.4393 -10.4393 -10.4112 -10.4112 -10.1866 -10.1866 -10.1687 -10.1687 -10.1240 -10.1240 -10.0778 -10.0778 -1.7823 -1.7823 0.3434 0.3434 1.8521 1.8521 2.1831 2.1831 7.2495 7.2495 8.0739 8.0739 8.3171 8.3171 8.5782 8.5782 k = 0.4050 0.4362 0.2456 ( 5802 PWs) bands (ev): -71.3659 -71.3659 -38.3078 -38.3078 -38.0275 -38.0275 -38.0110 -38.0110 -26.7401 -26.7401 -26.7306 -26.7306 -10.4414 -10.4414 -10.4133 -10.4133 -10.1884 -10.1884 -10.1715 -10.1715 -10.1240 -10.1240 -10.0792 -10.0792 -1.7482 -1.7482 0.3762 0.3762 1.7973 1.7973 2.1879 2.1879 7.2144 7.2144 8.0465 8.0465 8.3377 8.3377 8.5692 8.5692 k = 0.3987 0.4513 0.2620 ( 5804 PWs) bands (ev): -71.3659 -71.3659 -38.3078 -38.3078 -38.0275 -38.0275 -38.0110 -38.0110 -26.7395 -26.7395 -26.7305 -26.7305 -10.4438 -10.4438 -10.4156 -10.4156 -10.1903 -10.1903 -10.1744 -10.1744 -10.1239 -10.1239 -10.0806 -10.0806 -1.7120 -1.7120 0.4105 0.4105 1.7380 1.7380 2.1944 2.1944 7.1752 7.1752 8.0117 8.0117 8.3588 8.3588 8.5700 8.5700 k = 0.3923 0.4664 0.2783 ( 5808 PWs) bands (ev): -71.3659 -71.3659 -38.3078 -38.3078 -38.0276 -38.0276 -38.0110 -38.0110 -26.7389 -26.7389 -26.7303 -26.7303 -10.4464 -10.4464 -10.4180 -10.4180 -10.1923 -10.1923 -10.1773 -10.1773 -10.1236 -10.1236 -10.0819 -10.0819 -1.6738 -1.6738 0.4464 0.4464 1.6752 1.6752 2.2021 2.2021 7.1318 7.1318 7.9703 7.9703 8.3800 8.3800 8.5436 8.5436 k = 0.3860 0.4815 0.2947 ( 5802 PWs) bands (ev): -71.3659 -71.3659 -38.3078 -38.3078 -38.0276 -38.0276 -38.0110 -38.0110 -26.7382 -26.7382 -26.7301 -26.7301 -10.4491 -10.4491 -10.4206 -10.4206 -10.1943 -10.1943 -10.1803 -10.1803 -10.1232 -10.1232 -10.0830 -10.0830 -1.6337 -1.6337 0.4836 0.4836 1.6092 1.6092 2.2107 2.2107 7.0843 7.0843 7.9235 7.9235 8.4012 8.4012 8.5001 8.5001 k = 0.3797 0.4966 0.3111 ( 5804 PWs) bands (ev): -71.3659 -71.3659 -38.3078 -38.3078 -38.0276 -38.0276 -38.0110 -38.0110 -26.7376 -26.7376 -26.7300 -26.7300 -10.4521 -10.4521 -10.4232 -10.4232 -10.1963 -10.1963 -10.1834 -10.1834 -10.1227 -10.1227 -10.0841 -10.0841 -1.5916 -1.5916 0.5221 0.5221 1.5406 1.5406 2.2197 2.2197 7.0329 7.0329 7.8730 7.8730 8.4218 8.4218 8.4599 8.4599 k = 0.3733 0.5117 0.3275 ( 5800 PWs) bands (ev): -71.3659 -71.3659 -38.3079 -38.3079 -38.0276 -38.0276 -38.0110 -38.0110 -26.7369 -26.7369 -26.7298 -26.7298 -10.4551 -10.4551 -10.4260 -10.4260 -10.1982 -10.1982 -10.1865 -10.1865 -10.1220 -10.1220 -10.0851 -10.0851 -1.5478 -1.5478 0.5615 0.5615 1.4698 1.4698 2.2290 2.2290 6.9781 6.9781 7.8201 7.8201 8.4222 8.4222 8.4430 8.4430 k = 0.3670 0.5268 0.3438 ( 5796 PWs) bands (ev): -71.3659 -71.3659 -38.3079 -38.3079 -38.0276 -38.0276 -38.0110 -38.0110 -26.7362 -26.7362 -26.7297 -26.7297 -10.4582 -10.4582 -10.4289 -10.4289 -10.2000 -10.2000 -10.1897 -10.1897 -10.1212 -10.1212 -10.0861 -10.0861 -1.5022 -1.5022 0.6019 0.6019 1.3970 1.3970 2.2384 2.2384 6.9202 6.9202 7.7661 7.7661 8.3904 8.3904 8.4612 8.4612 k = 0.3607 0.5419 0.3602 ( 5810 PWs) bands (ev): -71.3659 -71.3659 -38.3079 -38.3079 -38.0277 -38.0277 -38.0110 -38.0110 -26.7355 -26.7355 -26.7296 -26.7296 -10.4615 -10.4615 -10.4318 -10.4318 -10.2017 -10.2017 -10.1929 -10.1929 -10.1203 -10.1203 -10.0869 -10.0869 -1.4549 -1.4549 0.6430 0.6430 1.3228 1.3228 2.2477 2.2477 6.8599 6.8599 7.7118 7.7118 8.3622 8.3622 8.4783 8.4783 k = 0.3543 0.5570 0.3766 ( 5800 PWs) bands (ev): -71.3659 -71.3659 -38.3079 -38.3079 -38.0277 -38.0277 -38.0110 -38.0110 -26.7348 -26.7348 -26.7295 -26.7295 -10.4647 -10.4647 -10.4349 -10.4349 -10.2033 -10.2033 -10.1960 -10.1960 -10.1192 -10.1192 -10.0878 -10.0878 -1.4062 -1.4062 0.6846 0.6846 1.2473 1.2473 2.2568 2.2568 6.7978 6.7978 7.6581 7.6581 8.3382 8.3382 8.4933 8.4933 k = 0.3480 0.5721 0.3929 ( 5806 PWs) bands (ev): -71.3659 -71.3659 -38.3079 -38.3079 -38.0277 -38.0277 -38.0110 -38.0110 -26.7341 -26.7341 -26.7294 -26.7294 -10.4680 -10.4680 -10.4380 -10.4380 -10.2049 -10.2049 -10.1990 -10.1990 -10.1180 -10.1180 -10.0886 -10.0886 -1.3561 -1.3561 0.7266 0.7266 1.1709 1.1709 2.2654 2.2654 6.7345 6.7345 7.6055 7.6055 8.3183 8.3183 8.5058 8.5058 k = 0.3417 0.5872 0.4093 ( 5810 PWs) bands (ev): -71.3659 -71.3659 -38.3079 -38.3079 -38.0278 -38.0278 -38.0110 -38.0110 -26.7334 -26.7334 -26.7293 -26.7293 -10.4712 -10.4712 -10.4412 -10.4412 -10.2065 -10.2065 -10.2016 -10.2016 -10.1168 -10.1168 -10.0893 -10.0893 -1.3048 -1.3048 0.7686 0.7686 1.0940 1.0940 2.2735 2.2735 6.6708 6.6708 7.5546 7.5546 8.3022 8.3022 8.5155 8.5155 k = 0.3353 0.6023 0.4257 ( 5798 PWs) bands (ev): -71.3659 -71.3659 -38.3079 -38.3079 -38.0278 -38.0278 -38.0110 -38.0110 -26.7327 -26.7327 -26.7293 -26.7293 -10.4744 -10.4744 -10.4444 -10.4444 -10.2085 -10.2085 -10.2037 -10.2037 -10.1155 -10.1155 -10.0900 -10.0900 -1.2524 -1.2524 0.8106 0.8106 1.0169 1.0169 2.2810 2.2810 6.6074 6.6074 7.5056 7.5056 8.2899 8.2899 8.5222 8.5222 k = 0.3290 0.6174 0.4421 ( 5798 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0278 -38.0278 -38.0110 -38.0110 -26.7321 -26.7321 -26.7293 -26.7293 -10.4774 -10.4774 -10.4475 -10.4475 -10.2111 -10.2111 -10.2050 -10.2050 -10.1142 -10.1142 -10.0907 -10.0907 -1.1993 -1.1993 0.8522 0.8522 0.9400 0.9400 2.2877 2.2877 6.5448 6.5448 7.4589 7.4589 8.2810 8.2810 8.5257 8.5257 k = 0.3227 0.6325 0.4584 ( 5795 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0278 -38.0278 -38.0110 -38.0110 -26.7314 -26.7314 -26.7293 -26.7293 -10.4804 -10.4804 -10.4507 -10.4507 -10.2138 -10.2138 -10.2057 -10.2057 -10.1129 -10.1129 -10.0913 -10.0913 -1.1456 -1.1456 0.8635 0.8635 0.8934 0.8934 2.2935 2.2935 6.4837 6.4837 7.4148 7.4148 8.2755 8.2755 8.5263 8.5263 k = 0.3163 0.6476 0.4748 ( 5791 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0278 -38.0278 -38.0110 -38.0110 -26.7307 -26.7307 -26.7293 -26.7293 -10.4831 -10.4831 -10.4537 -10.4537 -10.2167 -10.2167 -10.2061 -10.2061 -10.1115 -10.1115 -10.0919 -10.0919 -1.0917 -1.0917 0.7882 0.7882 0.9336 0.9336 2.2983 2.2983 6.4248 6.4248 7.3732 7.3732 8.2731 8.2731 8.5240 8.5240 k = 0.3100 0.6627 0.4912 ( 5779 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0278 -38.0278 -38.0110 -38.0110 -26.7301 -26.7301 -26.7294 -26.7294 -10.4857 -10.4857 -10.4566 -10.4566 -10.2196 -10.2196 -10.2062 -10.2062 -10.1103 -10.1103 -10.0924 -10.0924 -1.0380 -1.0380 0.7145 0.7145 0.9729 0.9729 2.3021 2.3021 6.3686 6.3686 7.3344 7.3344 8.2736 8.2736 8.5193 8.5193 k = 0.3037 0.6778 0.5076 ( 5787 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0279 -38.0279 -38.0110 -38.0110 -26.7295 -26.7295 -26.7295 -26.7295 -10.4881 -10.4881 -10.4594 -10.4594 -10.2225 -10.2225 -10.2060 -10.2060 -10.1091 -10.1091 -10.0928 -10.0928 -0.9852 -0.9852 0.6430 0.6430 1.0108 1.0108 2.3046 2.3046 6.3156 6.3156 7.2982 7.2982 8.2771 8.2771 8.5124 8.5124 k = 0.2973 0.6929 0.5239 ( 5777 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0279 -38.0279 -38.0110 -38.0110 -26.7296 -26.7296 -26.7288 -26.7288 -10.4902 -10.4902 -10.4620 -10.4620 -10.2253 -10.2253 -10.2057 -10.2057 -10.1081 -10.1081 -10.0931 -10.0931 -0.9338 -0.9338 0.5745 0.5745 1.0472 1.0472 2.3060 2.3060 6.2663 6.2663 7.2649 7.2649 8.2832 8.2832 8.5038 8.5038 k = 0.2910 0.7080 0.5403 ( 5773 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0279 -38.0279 -38.0110 -38.0110 -26.7298 -26.7298 -26.7283 -26.7283 -10.4920 -10.4920 -10.4644 -10.4644 -10.2280 -10.2280 -10.2051 -10.2051 -10.1073 -10.1073 -10.0932 -10.0932 -0.8848 -0.8848 0.5101 0.5101 1.0817 1.0817 2.3061 2.3061 6.2212 6.2212 7.2341 7.2341 8.2920 8.2920 8.4939 8.4939 k = 0.2847 0.7231 0.5567 ( 5777 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0279 -38.0279 -38.0110 -38.0110 -26.7299 -26.7299 -26.7277 -26.7277 -10.4936 -10.4936 -10.4665 -10.4665 -10.2306 -10.2306 -10.2044 -10.2044 -10.1067 -10.1067 -10.0931 -10.0931 -0.8394 -0.8394 0.4509 0.4509 1.1142 1.1142 2.3049 2.3049 6.1806 6.1806 7.2059 7.2059 8.3033 8.3033 8.4831 8.4831 k = 0.2783 0.7382 0.5730 ( 5777 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0279 -38.0279 -38.0110 -38.0110 -26.7302 -26.7302 -26.7272 -26.7272 -10.4950 -10.4950 -10.4683 -10.4683 -10.2331 -10.2331 -10.2035 -10.2035 -10.1065 -10.1065 -10.0927 -10.0927 -0.7990 -0.7990 0.3984 0.3984 1.1444 1.1444 2.3023 2.3023 6.1451 6.1451 7.1799 7.1799 8.3171 8.3171 8.4717 8.4717 k = 0.2720 0.7533 0.5894 ( 5777 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0279 -38.0279 -38.0110 -38.0110 -26.7304 -26.7304 -26.7266 -26.7266 -10.4960 -10.4960 -10.4698 -10.4698 -10.2356 -10.2356 -10.2024 -10.2024 -10.1065 -10.1065 -10.0920 -10.0920 -0.7652 -0.7652 0.3545 0.3545 1.1721 1.1721 2.2983 2.2983 6.1149 6.1149 7.1561 7.1561 8.3332 8.3332 8.4600 8.4600 k = 0.2720 0.7533 0.5894 ( 5777 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0279 -38.0279 -38.0110 -38.0110 -26.7304 -26.7304 -26.7266 -26.7266 -10.4960 -10.4960 -10.4698 -10.4698 -10.2356 -10.2356 -10.2024 -10.2024 -10.1065 -10.1065 -10.0920 -10.0920 -0.7652 -0.7652 0.3545 0.3545 1.1721 1.1721 2.2983 2.2983 6.1149 6.1149 7.1561 7.1561 8.3332 8.3332 8.4600 8.4600 k = 0.2511 0.7492 0.5938 ( 5769 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0279 -38.0279 -38.0110 -38.0110 -26.7305 -26.7305 -26.7265 -26.7265 -10.4962 -10.4962 -10.4702 -10.4702 -10.2362 -10.2362 -10.2021 -10.2021 -10.1066 -10.1066 -10.0918 -10.0918 -0.7578 -0.7578 0.3444 0.3444 1.1797 1.1797 2.2965 2.2965 6.1090 6.1090 7.1464 7.1464 8.3407 8.3407 8.4568 8.4568 k = 0.2302 0.7452 0.5982 ( 5771 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0279 -38.0279 -38.0110 -38.0110 -26.7306 -26.7306 -26.7263 -26.7263 -10.4962 -10.4962 -10.4707 -10.4707 -10.2369 -10.2369 -10.2017 -10.2017 -10.1066 -10.1066 -10.0916 -10.0916 -0.7513 -0.7513 0.3351 0.3351 1.1882 1.1882 2.2939 2.2939 6.1061 6.1061 7.1300 7.1300 8.3539 8.3539 8.4535 8.4535 k = 0.2092 0.7412 0.6025 ( 5768 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0279 -38.0279 -38.0110 -38.0110 -26.7308 -26.7308 -26.7262 -26.7262 -10.4961 -10.4961 -10.4714 -10.4714 -10.2375 -10.2375 -10.2013 -10.2013 -10.1065 -10.1065 -10.0915 -10.0915 -0.7457 -0.7457 0.3265 0.3265 1.1974 1.1974 2.2905 2.2905 6.1059 6.1059 7.1076 7.1076 8.3724 8.3724 8.4504 8.4504 k = 0.1883 0.7371 0.6069 ( 5768 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0279 -38.0279 -38.0110 -38.0110 -26.7309 -26.7309 -26.7260 -26.7260 -10.4959 -10.4959 -10.4722 -10.4722 -10.2381 -10.2381 -10.2009 -10.2009 -10.1065 -10.1065 -10.0913 -10.0913 -0.7409 -0.7409 0.3187 0.3187 1.2071 1.2071 2.2864 2.2864 6.1085 6.1085 7.0806 7.0806 8.3955 8.3955 8.4474 8.4474 k = 0.1674 0.7331 0.6113 ( 5774 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0279 -38.0279 -38.0110 -38.0110 -26.7310 -26.7310 -26.7258 -26.7258 -10.4955 -10.4955 -10.4731 -10.4731 -10.2387 -10.2387 -10.2006 -10.2006 -10.1064 -10.1064 -10.0912 -10.0912 -0.7368 -0.7368 0.3116 0.3116 1.2170 1.2170 2.2819 2.2819 6.1136 6.1136 7.0501 7.0501 8.4221 8.4221 8.4448 8.4448 k = 0.1465 0.7291 0.6157 ( 5769 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0279 -38.0279 -38.0110 -38.0110 -26.7311 -26.7311 -26.7257 -26.7257 -10.4949 -10.4949 -10.4740 -10.4740 -10.2392 -10.2392 -10.2002 -10.2002 -10.1063 -10.1063 -10.0912 -10.0912 -0.7334 -0.7334 0.3053 0.3053 1.2267 1.2267 2.2772 2.2772 6.1208 6.1208 7.0178 7.0178 8.4414 8.4414 8.4527 8.4527 k = 0.1255 0.7250 0.6200 ( 5771 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0279 -38.0279 -38.0110 -38.0110 -26.7312 -26.7312 -26.7255 -26.7255 -10.4943 -10.4943 -10.4751 -10.4751 -10.2397 -10.2397 -10.1999 -10.1999 -10.1061 -10.1061 -10.0911 -10.0911 -0.7307 -0.7307 0.2998 0.2998 1.2360 1.2360 2.2724 2.2724 6.1295 6.1295 6.9853 6.9853 8.4397 8.4397 8.4839 8.4839 k = 0.1046 0.7210 0.6244 ( 5766 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0279 -38.0279 -38.0110 -38.0110 -26.7313 -26.7313 -26.7254 -26.7254 -10.4936 -10.4936 -10.4761 -10.4761 -10.2401 -10.2401 -10.1996 -10.1996 -10.1060 -10.1060 -10.0911 -10.0911 -0.7284 -0.7284 0.2951 0.2951 1.2446 1.2446 2.2679 2.2679 6.1392 6.1392 6.9540 6.9540 8.4379 8.4379 8.5167 8.5167 k = 0.0837 0.7170 0.6288 ( 5768 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0279 -38.0279 -38.0110 -38.0110 -26.7314 -26.7314 -26.7253 -26.7253 -10.4929 -10.4929 -10.4772 -10.4772 -10.2404 -10.2404 -10.1994 -10.1994 -10.1059 -10.1059 -10.0911 -10.0911 -0.7267 -0.7267 0.2912 0.2912 1.2521 1.2521 2.2638 2.2638 6.1490 6.1490 6.9255 6.9255 8.4364 8.4364 8.5501 8.5501 k = 0.0628 0.7129 0.6332 ( 5772 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0279 -38.0279 -38.0110 -38.0110 -26.7315 -26.7315 -26.7252 -26.7252 -10.4922 -10.4922 -10.4781 -10.4781 -10.2406 -10.2406 -10.1992 -10.1992 -10.1058 -10.1058 -10.0911 -10.0911 -0.7254 -0.7254 0.2882 0.2882 1.2582 1.2582 2.2603 2.2603 6.1581 6.1581 6.9013 6.9013 8.4353 8.4353 8.5833 8.5833 k = 0.0418 0.7089 0.6375 ( 5772 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0279 -38.0279 -38.0110 -38.0110 -26.7315 -26.7315 -26.7251 -26.7251 -10.4916 -10.4916 -10.4789 -10.4789 -10.2408 -10.2408 -10.1991 -10.1991 -10.1057 -10.1057 -10.0911 -10.0911 -0.7245 -0.7245 0.2860 0.2860 1.2628 1.2628 2.2577 2.2577 6.1654 6.1654 6.8828 6.8828 8.4344 8.4344 8.6160 8.6160 k = 0.0209 0.7049 0.6419 ( 5762 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0279 -38.0279 -38.0110 -38.0110 -26.7316 -26.7316 -26.7251 -26.7251 -10.4912 -10.4912 -10.4794 -10.4794 -10.2409 -10.2409 -10.1990 -10.1990 -10.1056 -10.1056 -10.0912 -10.0912 -0.7239 -0.7239 0.2847 0.2847 1.2656 1.2656 2.2560 2.2560 6.1703 6.1703 6.8712 6.8712 8.4340 8.4340 8.6474 8.6474 k = 0.0000 0.7008 0.6463 ( 5766 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0279 -38.0279 -38.0110 -38.0110 -26.7316 -26.7316 -26.7251 -26.7251 -10.4910 -10.4910 -10.4796 -10.4796 -10.2409 -10.2409 -10.1990 -10.1990 -10.1056 -10.1056 -10.0912 -10.0912 -0.7238 -0.7238 0.2842 0.2842 1.2666 1.2666 2.2555 2.2555 6.1719 6.1719 6.8672 6.8672 8.4338 8.4338 8.6713 8.6713 k = 0.0000 0.7008 0.6463 ( 5766 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0279 -38.0279 -38.0110 -38.0110 -26.7316 -26.7316 -26.7251 -26.7251 -10.4910 -10.4910 -10.4796 -10.4796 -10.2409 -10.2409 -10.1990 -10.1990 -10.1056 -10.1056 -10.0912 -10.0912 -0.7238 -0.7238 0.2842 0.2842 1.2666 1.2666 2.2555 2.2555 6.1719 6.1719 6.8672 6.8672 8.4338 8.4338 8.6713 8.6713 k = 0.0064 0.6856 0.6628 ( 5760 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0279 -38.0279 -38.0110 -38.0110 -26.7316 -26.7316 -26.7251 -26.7251 -10.4910 -10.4910 -10.4796 -10.4796 -10.2410 -10.2410 -10.1990 -10.1990 -10.1058 -10.1058 -10.0913 -10.0913 -0.7228 -0.7228 0.2848 0.2848 1.2664 1.2664 2.2541 2.2541 6.1731 6.1731 6.8678 6.8678 8.4090 8.4090 8.6859 8.6859 k = 0.0128 0.6703 0.6794 ( 5764 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0279 -38.0279 -38.0110 -38.0110 -26.7315 -26.7315 -26.7250 -26.7250 -10.4909 -10.4909 -10.4795 -10.4795 -10.2410 -10.2410 -10.1991 -10.1991 -10.1065 -10.1065 -10.0917 -10.0917 -0.7199 -0.7199 0.2866 0.2866 1.2657 1.2657 2.2499 2.2499 6.1766 6.1766 6.8696 6.8696 8.3539 8.3539 8.6839 8.6839 k = 0.0192 0.6550 0.6960 ( 5768 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0279 -38.0279 -38.0110 -38.0110 -26.7314 -26.7314 -26.7250 -26.7250 -10.4907 -10.4907 -10.4793 -10.4793 -10.2411 -10.2411 -10.1993 -10.1993 -10.1077 -10.1077 -10.0923 -10.0923 -0.7151 -0.7151 0.2895 0.2895 1.2646 1.2646 2.2429 2.2429 6.1825 6.1825 6.8724 6.8724 8.2897 8.2897 8.6803 8.6803 k = 0.0256 0.6397 0.7126 ( 5770 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0279 -38.0279 -38.0110 -38.0110 -26.7313 -26.7313 -26.7248 -26.7248 -10.4904 -10.4904 -10.4791 -10.4791 -10.2411 -10.2411 -10.1995 -10.1995 -10.1093 -10.1093 -10.0931 -10.0931 -0.7083 -0.7083 0.2937 0.2937 1.2630 1.2630 2.2331 2.2331 6.1905 6.1905 6.8764 6.8764 8.2242 8.2242 8.6748 8.6748 k = 0.0321 0.6244 0.7291 ( 5774 PWs) bands (ev): -71.3659 -71.3659 -38.3081 -38.3081 -38.0280 -38.0280 -38.0110 -38.0110 -26.7312 -26.7312 -26.7247 -26.7247 -10.4901 -10.4901 -10.4788 -10.4788 -10.2413 -10.2413 -10.1998 -10.1998 -10.1113 -10.1113 -10.0942 -10.0942 -0.6997 -0.6997 0.2989 0.2989 1.2611 1.2611 2.2206 2.2206 6.2008 6.2008 6.8814 6.8814 8.1602 8.1602 8.6669 8.6669 k = 0.0385 0.6092 0.7457 ( 5772 PWs) bands (ev): -71.3659 -71.3659 -38.3081 -38.3081 -38.0280 -38.0280 -38.0110 -38.0110 -26.7310 -26.7310 -26.7245 -26.7245 -10.4897 -10.4897 -10.4785 -10.4785 -10.2414 -10.2414 -10.2002 -10.2002 -10.1137 -10.1137 -10.0956 -10.0956 -0.6891 -0.6891 0.3052 0.3052 1.2587 1.2587 2.2052 2.2052 6.2130 6.2130 6.8874 6.8874 8.0993 8.0993 8.6560 8.6560 k = 0.0449 0.5939 0.7623 ( 5770 PWs) bands (ev): -71.3659 -71.3659 -38.3081 -38.3081 -38.0280 -38.0280 -38.0110 -38.0110 -26.7308 -26.7308 -26.7244 -26.7244 -10.4893 -10.4893 -10.4781 -10.4781 -10.2416 -10.2416 -10.2006 -10.2006 -10.1165 -10.1165 -10.0971 -10.0971 -0.6767 -0.6767 0.3126 0.3126 1.2559 1.2559 2.1871 2.1871 6.2272 6.2272 6.8942 6.8942 8.0422 8.0422 8.6413 8.6413 k = 0.0513 0.5786 0.7788 ( 5772 PWs) bands (ev): -71.3659 -71.3659 -38.3081 -38.3081 -38.0280 -38.0280 -38.0110 -38.0110 -26.7306 -26.7306 -26.7241 -26.7241 -10.4888 -10.4888 -10.4777 -10.4777 -10.2419 -10.2419 -10.2011 -10.2011 -10.1196 -10.1196 -10.0988 -10.0988 -0.6623 -0.6623 0.3210 0.3210 1.2528 1.2528 2.1663 2.1663 6.2430 6.2430 6.9017 6.9017 7.9894 7.9894 8.6221 8.6221 k = 0.0577 0.5633 0.7954 ( 5780 PWs) bands (ev): -71.3659 -71.3659 -38.3081 -38.3081 -38.0280 -38.0280 -38.0111 -38.0111 -26.7303 -26.7303 -26.7239 -26.7239 -10.4883 -10.4883 -10.4772 -10.4772 -10.2421 -10.2421 -10.2017 -10.2017 -10.1230 -10.1230 -10.1007 -10.1007 -0.6461 -0.6461 0.3304 0.3304 1.2492 1.2492 2.1427 2.1427 6.2605 6.2605 6.9098 6.9098 7.9413 7.9413 8.5977 8.5977 k = 0.0641 0.5480 0.8120 ( 5784 PWs) bands (ev): -71.3659 -71.3659 -38.3081 -38.3081 -38.0280 -38.0280 -38.0111 -38.0111 -26.7301 -26.7301 -26.7236 -26.7236 -10.4878 -10.4878 -10.4768 -10.4768 -10.2425 -10.2425 -10.2023 -10.2023 -10.1266 -10.1266 -10.1027 -10.1027 -0.6280 -0.6280 0.3407 0.3407 1.2453 1.2453 2.1164 2.1164 6.2792 6.2792 6.9183 6.9183 7.8982 7.8982 8.5677 8.5677 k = 0.0705 0.5327 0.8286 ( 5780 PWs) bands (ev): -71.3659 -71.3659 -38.3081 -38.3081 -38.0281 -38.0281 -38.0111 -38.0111 -26.7298 -26.7298 -26.7233 -26.7233 -10.4872 -10.4872 -10.4764 -10.4764 -10.2429 -10.2429 -10.2030 -10.2030 -10.1305 -10.1305 -10.1048 -10.1048 -0.6080 -0.6080 0.3518 0.3518 1.2411 1.2411 2.0875 2.0875 6.2990 6.2990 6.9271 6.9271 7.8605 7.8605 8.5319 8.5319 k = 0.0769 0.5175 0.8451 ( 5772 PWs) bands (ev): -71.3659 -71.3659 -38.3081 -38.3081 -38.0281 -38.0281 -38.0111 -38.0111 -26.7295 -26.7295 -26.7230 -26.7230 -10.4866 -10.4866 -10.4759 -10.4759 -10.2434 -10.2434 -10.2037 -10.2037 -10.1346 -10.1346 -10.1070 -10.1070 -0.5862 -0.5862 0.3637 0.3637 1.2366 1.2366 2.0559 2.0559 6.3197 6.3197 6.9361 6.9361 7.8282 7.8282 8.4907 8.4907 k = 0.0833 0.5022 0.8617 ( 5768 PWs) bands (ev): -71.3659 -71.3659 -38.3081 -38.3081 -38.0281 -38.0281 -38.0111 -38.0111 -26.7291 -26.7291 -26.7227 -26.7227 -10.4861 -10.4861 -10.4755 -10.4755 -10.2440 -10.2440 -10.2044 -10.2044 -10.1388 -10.1388 -10.1092 -10.1092 -0.5626 -0.5626 0.3763 0.3763 1.2318 1.2318 2.0218 2.0218 6.3410 6.3410 6.9450 6.9450 7.8015 7.8015 8.4446 8.4446 k = 0.0897 0.4869 0.8783 ( 5770 PWs) bands (ev): -71.3659 -71.3659 -38.3082 -38.3082 -38.0281 -38.0281 -38.0111 -38.0111 -26.7288 -26.7288 -26.7224 -26.7224 -10.4856 -10.4856 -10.4752 -10.4752 -10.2446 -10.2446 -10.2052 -10.2052 -10.1432 -10.1432 -10.1115 -10.1115 -0.5371 -0.5371 0.3895 0.3895 1.2268 1.2268 1.9852 1.9852 6.3628 6.3628 6.9537 6.9537 7.7804 7.7804 8.3945 8.3945 k = 0.0962 0.4716 0.8948 ( 5772 PWs) bands (ev): -71.3659 -71.3659 -38.3082 -38.3082 -38.0281 -38.0281 -38.0111 -38.0111 -26.7284 -26.7284 -26.7220 -26.7220 -10.4851 -10.4851 -10.4749 -10.4749 -10.2454 -10.2454 -10.2061 -10.2061 -10.1476 -10.1476 -10.1138 -10.1138 -0.5099 -0.5099 0.4033 0.4033 1.2215 1.2215 1.9462 1.9462 6.3847 6.3847 6.9619 6.9619 7.7648 7.7648 8.3414 8.3414 k = 0.1026 0.4563 0.9114 ( 5764 PWs) bands (ev): -71.3659 -71.3659 -38.3082 -38.3082 -38.0281 -38.0281 -38.0111 -38.0111 -26.7280 -26.7280 -26.7216 -26.7216 -10.4846 -10.4846 -10.4747 -10.4747 -10.2462 -10.2462 -10.2069 -10.2069 -10.1520 -10.1520 -10.1160 -10.1160 -0.4809 -0.4809 0.4175 0.4175 1.2160 1.2160 1.9049 1.9049 6.4067 6.4067 6.9697 6.9697 7.7545 7.7545 8.2861 8.2861 k = 0.1090 0.4411 0.9280 ( 5766 PWs) bands (ev): -71.3659 -71.3659 -38.3082 -38.3082 -38.0282 -38.0282 -38.0111 -38.0111 -26.7276 -26.7276 -26.7213 -26.7213 -10.4842 -10.4842 -10.4745 -10.4745 -10.2470 -10.2470 -10.2078 -10.2078 -10.1564 -10.1564 -10.1182 -10.1182 -0.4502 -0.4502 0.4321 0.4321 1.2104 1.2104 1.8613 1.8613 6.4286 6.4286 6.9767 6.9767 7.7492 7.7492 8.2295 8.2295 k = 0.1154 0.4258 0.9446 ( 5758 PWs) bands (ev): -71.3659 -71.3659 -38.3082 -38.3082 -38.0282 -38.0282 -38.0111 -38.0111 -26.7273 -26.7273 -26.7209 -26.7209 -10.4838 -10.4838 -10.4745 -10.4745 -10.2480 -10.2480 -10.2086 -10.2086 -10.1607 -10.1607 -10.1203 -10.1203 -0.4178 -0.4178 0.4470 0.4470 1.2047 1.2047 1.8157 1.8157 6.4503 6.4503 6.9830 6.9830 7.7483 7.7483 8.1724 8.1724 k = 0.1218 0.4105 0.9611 ( 5758 PWs) bands (ev): -71.3659 -71.3659 -38.3082 -38.3082 -38.0282 -38.0282 -38.0111 -38.0111 -26.7269 -26.7269 -26.7205 -26.7205 -10.4836 -10.4836 -10.4745 -10.4745 -10.2490 -10.2490 -10.2095 -10.2095 -10.1650 -10.1650 -10.1223 -10.1223 -0.3837 -0.3837 0.4621 0.4621 1.1988 1.1988 1.7680 1.7680 6.4718 6.4718 6.9883 6.9883 7.7510 7.7510 8.1152 8.1152 k = 0.1282 0.3952 0.9777 ( 5762 PWs) bands (ev): -71.3659 -71.3659 -38.3082 -38.3082 -38.0282 -38.0282 -38.0111 -38.0111 -26.7265 -26.7265 -26.7201 -26.7201 -10.4834 -10.4834 -10.4747 -10.4747 -10.2500 -10.2500 -10.2104 -10.2104 -10.1691 -10.1691 -10.1242 -10.1242 -0.3480 -0.3480 0.4773 0.4773 1.1929 1.1929 1.7185 1.7185 6.4932 6.4932 6.9927 6.9927 7.7566 7.7566 8.0584 8.0584 k = 0.1346 0.3799 0.9943 ( 5764 PWs) bands (ev): -71.3659 -71.3659 -38.3083 -38.3083 -38.0283 -38.0283 -38.0111 -38.0111 -26.7261 -26.7261 -26.7197 -26.7197 -10.4833 -10.4833 -10.4749 -10.4749 -10.2511 -10.2511 -10.2113 -10.2113 -10.1730 -10.1730 -10.1260 -10.1260 -0.3106 -0.3106 0.4925 0.4925 1.1870 1.1870 1.6673 1.6673 6.5144 6.5144 6.9962 6.9962 7.7637 7.7637 8.0026 8.0026 k = 0.1410 0.3647 1.0108 ( 5762 PWs) bands (ev): -71.3658 -71.3658 -38.3083 -38.3083 -38.0283 -38.0283 -38.0111 -38.0111 -26.7257 -26.7257 -26.7193 -26.7193 -10.4832 -10.4832 -10.4753 -10.4753 -10.2522 -10.2522 -10.2122 -10.2122 -10.1768 -10.1768 -10.1277 -10.1277 -0.2716 -0.2716 0.5076 0.5076 1.1811 1.1811 1.6145 1.6145 6.5357 6.5357 6.9986 6.9986 7.7710 7.7710 7.9479 7.9479 k = 0.1474 0.3494 1.0274 ( 5766 PWs) bands (ev): -71.3658 -71.3658 -38.3083 -38.3083 -38.0283 -38.0283 -38.0111 -38.0111 -26.7253 -26.7253 -26.7190 -26.7190 -10.4833 -10.4833 -10.4758 -10.4758 -10.2532 -10.2532 -10.2131 -10.2131 -10.1803 -10.1803 -10.1293 -10.1293 -0.2311 -0.2311 0.5225 0.5225 1.1752 1.1752 1.5602 1.5602 6.5571 6.5571 7.0002 7.0002 7.7768 7.7768 7.8948 7.8948 k = 0.1538 0.3341 1.0440 ( 5770 PWs) bands (ev): -71.3658 -71.3658 -38.3083 -38.3083 -38.0284 -38.0284 -38.0111 -38.0111 -26.7249 -26.7249 -26.7186 -26.7186 -10.4834 -10.4834 -10.4764 -10.4764 -10.2542 -10.2542 -10.2141 -10.2141 -10.1835 -10.1835 -10.1308 -10.1308 -0.1890 -0.1890 0.5371 0.5371 1.1694 1.1694 1.5045 1.5045 6.5788 6.5788 7.0008 7.0008 7.7794 7.7794 7.8436 7.8436 k = 0.1603 0.3188 1.0606 ( 5766 PWs) bands (ev): -71.3658 -71.3658 -38.3083 -38.3083 -38.0284 -38.0284 -38.0111 -38.0111 -26.7246 -26.7246 -26.7182 -26.7182 -10.4836 -10.4836 -10.4771 -10.4771 -10.2551 -10.2551 -10.2150 -10.2150 -10.1865 -10.1865 -10.1322 -10.1322 -0.1455 -0.1455 0.5513 0.5513 1.1638 1.1638 1.4478 1.4478 6.6010 6.6010 7.0008 7.0008 7.7766 7.7766 7.7951 7.7951 k = 0.1667 0.3035 1.0771 ( 5762 PWs) bands (ev): -71.3658 -71.3658 -38.3084 -38.3084 -38.0284 -38.0284 -38.0111 -38.0111 -26.7242 -26.7242 -26.7179 -26.7179 -10.4839 -10.4839 -10.4779 -10.4779 -10.2560 -10.2560 -10.2161 -10.2161 -10.1891 -10.1891 -10.1335 -10.1335 -0.1006 -0.1006 0.5650 0.5650 1.1583 1.1583 1.3900 1.3900 6.6236 6.6236 7.0001 7.0001 7.7459 7.7459 7.7706 7.7706 k = 0.1731 0.2882 1.0937 ( 5756 PWs) bands (ev): -71.3658 -71.3658 -38.3084 -38.3084 -38.0284 -38.0284 -38.0111 -38.0111 -26.7239 -26.7239 -26.7176 -26.7176 -10.4843 -10.4843 -10.4787 -10.4787 -10.2568 -10.2568 -10.2171 -10.2171 -10.1915 -10.1915 -10.1346 -10.1346 -0.0543 -0.0543 0.5782 0.5782 1.1530 1.1530 1.3313 1.3313 6.6469 6.6469 6.9989 6.9989 7.7016 7.7016 7.7553 7.7553 k = 0.1795 0.2730 1.1103 ( 5760 PWs) bands (ev): -71.3658 -71.3658 -38.3084 -38.3084 -38.0285 -38.0285 -38.0111 -38.0111 -26.7235 -26.7235 -26.7173 -26.7173 -10.4847 -10.4847 -10.4796 -10.4796 -10.2575 -10.2575 -10.2182 -10.2182 -10.1935 -10.1935 -10.1357 -10.1357 -0.0066 -0.0066 0.5907 0.5907 1.1480 1.1480 1.2719 1.2719 6.6709 6.6709 6.9974 6.9974 7.6595 7.6595 7.7336 7.7336 k = 0.1859 0.2577 1.1268 ( 5762 PWs) bands (ev): -71.3658 -71.3658 -38.3084 -38.3084 -38.0285 -38.0285 -38.0112 -38.0112 -26.7233 -26.7233 -26.7170 -26.7170 -10.4851 -10.4851 -10.4805 -10.4805 -10.2581 -10.2581 -10.2193 -10.2193 -10.1953 -10.1953 -10.1366 -10.1366 0.0423 0.0423 0.6025 0.6025 1.1432 1.1432 1.2120 1.2120 6.6955 6.6955 6.9957 6.9957 7.6202 7.6202 7.7057 7.7057 k = 0.1923 0.2424 1.1434 ( 5758 PWs) bands (ev): -71.3658 -71.3658 -38.3084 -38.3084 -38.0285 -38.0285 -38.0112 -38.0112 -26.7230 -26.7230 -26.7167 -26.7167 -10.4856 -10.4856 -10.4815 -10.4815 -10.2586 -10.2586 -10.2204 -10.2204 -10.1967 -10.1967 -10.1375 -10.1375 0.0925 0.0925 0.6135 0.6135 1.1387 1.1387 1.1517 1.1517 6.7208 6.7208 6.9939 6.9939 7.5838 7.5838 7.6729 7.6729 k = 0.1987 0.2271 1.1600 ( 5760 PWs) bands (ev): -71.3658 -71.3658 -38.3084 -38.3084 -38.0285 -38.0285 -38.0112 -38.0112 -26.7227 -26.7227 -26.7165 -26.7165 -10.4860 -10.4860 -10.4824 -10.4824 -10.2590 -10.2590 -10.2214 -10.2214 -10.1980 -10.1980 -10.1383 -10.1383 0.1437 0.1437 0.6235 0.6235 1.0909 1.0909 1.1347 1.1347 6.7464 6.7464 6.9922 6.9922 7.5505 7.5505 7.6367 7.6367 k = 0.2051 0.2118 1.1766 ( 5758 PWs) bands (ev): -71.3658 -71.3658 -38.3084 -38.3084 -38.0285 -38.0285 -38.0112 -38.0112 -26.7225 -26.7225 -26.7162 -26.7162 -10.4865 -10.4865 -10.4832 -10.4832 -10.2593 -10.2593 -10.2224 -10.2224 -10.1990 -10.1990 -10.1389 -10.1389 0.1960 0.1960 0.6325 0.6325 1.0302 1.0302 1.1310 1.1310 6.7723 6.7723 6.9906 6.9906 7.5206 7.5206 7.5987 7.5987 k = 0.2115 0.1966 1.1931 ( 5762 PWs) bands (ev): -71.3658 -71.3658 -38.3084 -38.3084 -38.0285 -38.0285 -38.0112 -38.0112 -26.7223 -26.7223 -26.7161 -26.7161 -10.4869 -10.4869 -10.4840 -10.4840 -10.2595 -10.2595 -10.2234 -10.2234 -10.1998 -10.1998 -10.1395 -10.1395 0.2492 0.2492 0.6405 0.6405 0.9695 0.9695 1.1277 1.1277 6.7978 6.7978 6.9892 6.9892 7.4941 7.4941 7.5604 7.5604 k = 0.2179 0.1813 1.2097 ( 5768 PWs) bands (ev): -71.3658 -71.3658 -38.3085 -38.3085 -38.0286 -38.0286 -38.0112 -38.0112 -26.7221 -26.7221 -26.7159 -26.7159 -10.4873 -10.4873 -10.4847 -10.4847 -10.2597 -10.2597 -10.2242 -10.2242 -10.2005 -10.2005 -10.1400 -10.1400 0.3031 0.3031 0.6474 0.6474 0.9092 0.9092 1.1249 1.1249 6.8225 6.8225 6.9881 6.9881 7.4713 7.4713 7.5235 7.5235 k = 0.2244 0.1660 1.2263 ( 5770 PWs) bands (ev): -71.3658 -71.3658 -38.3085 -38.3085 -38.0286 -38.0286 -38.0112 -38.0112 -26.7220 -26.7220 -26.7158 -26.7158 -10.4876 -10.4876 -10.4854 -10.4854 -10.2599 -10.2599 -10.2249 -10.2249 -10.2010 -10.2010 -10.1404 -10.1404 0.3575 0.3575 0.6531 0.6531 0.8495 0.8495 1.1225 1.1225 6.8455 6.8455 6.9872 6.9872 7.4524 7.4524 7.4896 7.4896 k = 0.2308 0.1507 1.2428 ( 5766 PWs) bands (ev): -71.3658 -71.3658 -38.3085 -38.3085 -38.0286 -38.0286 -38.0112 -38.0112 -26.7219 -26.7219 -26.7156 -26.7156 -10.4879 -10.4879 -10.4859 -10.4859 -10.2600 -10.2600 -10.2254 -10.2254 -10.2014 -10.2014 -10.1407 -10.1407 0.4117 0.4117 0.6576 0.6576 0.7911 0.7911 1.1206 1.1206 6.8656 6.8656 6.9865 6.9865 7.4374 7.4374 7.4605 7.4605 k = 0.2372 0.1354 1.2594 ( 5776 PWs) bands (ev): -71.3658 -71.3658 -38.3085 -38.3085 -38.0286 -38.0286 -38.0112 -38.0112 -26.7218 -26.7218 -26.7156 -26.7156 -10.4881 -10.4881 -10.4862 -10.4862 -10.2600 -10.2600 -10.2258 -10.2258 -10.2016 -10.2016 -10.1409 -10.1409 0.4644 0.4644 0.6609 0.6609 0.7354 0.7354 1.1193 1.1193 6.8816 6.8816 6.9860 6.9860 7.4265 7.4265 7.4379 7.4379 k = 0.2436 0.1202 1.2760 ( 5778 PWs) bands (ev): -71.3658 -71.3658 -38.3085 -38.3085 -38.0286 -38.0286 -38.0112 -38.0112 -26.7218 -26.7218 -26.7155 -26.7155 -10.4883 -10.4883 -10.4864 -10.4864 -10.2601 -10.2601 -10.2261 -10.2261 -10.2018 -10.2018 -10.1411 -10.1411 0.5110 0.5110 0.6628 0.6628 0.6870 0.6870 1.1185 1.1185 6.8919 6.8919 6.9858 6.9858 7.4195 7.4195 7.4240 7.4240 k = 0.2500 0.1049 1.2926 ( 5772 PWs) bands (ev): -71.3658 -71.3658 -38.3085 -38.3085 -38.0286 -38.0286 -38.0112 -38.0112 -26.7217 -26.7217 -26.7155 -26.7155 -10.4883 -10.4883 -10.4865 -10.4865 -10.2601 -10.2601 -10.2262 -10.2262 -10.2019 -10.2019 -10.1411 -10.1411 0.5339 0.5339 0.6627 0.6627 0.6643 0.6643 1.1182 1.1182 6.8955 6.8955 6.9857 6.9857 7.4164 7.4164 7.4198 7.4198 k = 0.2500 0.1049 1.2926 ( 5772 PWs) bands (ev): -71.3658 -71.3658 -38.3085 -38.3085 -38.0286 -38.0286 -38.0112 -38.0112 -26.7217 -26.7217 -26.7155 -26.7155 -10.4883 -10.4883 -10.4865 -10.4865 -10.2601 -10.2601 -10.2262 -10.2262 -10.2019 -10.2019 -10.1411 -10.1411 0.5339 0.5339 0.6627 0.6627 0.6643 0.6643 1.1182 1.1182 6.8955 6.8955 6.9857 6.9857 7.4164 7.4164 7.4198 7.4198 k = 0.2692 0.1129 1.2838 ( 5774 PWs) bands (ev): -71.3658 -71.3658 -38.3085 -38.3085 -38.0286 -38.0286 -38.0112 -38.0112 -26.7217 -26.7217 -26.7155 -26.7155 -10.4883 -10.4883 -10.4865 -10.4865 -10.2600 -10.2600 -10.2264 -10.2264 -10.2017 -10.2017 -10.1411 -10.1411 0.5303 0.5303 0.6635 0.6635 0.6671 0.6671 1.1183 1.1183 6.8756 6.8756 7.0066 7.0066 7.4166 7.4166 7.4207 7.4207 k = 0.2885 0.1210 1.2751 ( 5778 PWs) bands (ev): -71.3658 -71.3658 -38.3085 -38.3085 -38.0286 -38.0286 -38.0112 -38.0112 -26.7217 -26.7217 -26.7155 -26.7155 -10.4883 -10.4883 -10.4865 -10.4865 -10.2597 -10.2597 -10.2270 -10.2270 -10.2012 -10.2012 -10.1411 -10.1411 0.5205 0.5205 0.6641 0.6641 0.6761 0.6761 1.1186 1.1186 6.8394 6.8394 7.0459 7.0459 7.4179 7.4179 7.4224 7.4224 k = 0.3077 0.1291 1.2663 ( 5770 PWs) bands (ev): -71.3658 -71.3658 -38.3085 -38.3085 -38.0286 -38.0286 -38.0112 -38.0112 -26.7218 -26.7218 -26.7155 -26.7155 -10.4882 -10.4882 -10.4865 -10.4865 -10.2593 -10.2593 -10.2279 -10.2279 -10.2006 -10.2006 -10.1412 -10.1412 0.5067 0.5067 0.6648 0.6648 0.6889 0.6889 1.1190 1.1190 6.8024 6.8024 7.0879 7.0879 7.4206 7.4206 7.4245 7.4245 k = 0.3269 0.1371 1.2576 ( 5768 PWs) bands (ev): -71.3658 -71.3658 -38.3085 -38.3085 -38.0286 -38.0286 -38.0112 -38.0112 -26.7218 -26.7218 -26.7155 -26.7155 -10.4881 -10.4881 -10.4864 -10.4864 -10.2588 -10.2588 -10.2290 -10.2290 -10.1997 -10.1997 -10.1413 -10.1413 0.4905 0.4905 0.6658 0.6658 0.7037 0.7037 1.1195 1.1195 6.7680 6.7680 7.1287 7.1287 7.4241 7.4241 7.4274 7.4274 k = 0.3462 0.1452 1.2488 ( 5771 PWs) bands (ev): -71.3658 -71.3658 -38.3085 -38.3085 -38.0286 -38.0286 -38.0112 -38.0112 -26.7218 -26.7218 -26.7156 -26.7156 -10.4880 -10.4880 -10.4864 -10.4864 -10.2581 -10.2581 -10.2303 -10.2303 -10.1987 -10.1987 -10.1414 -10.1414 0.4729 0.4729 0.6671 0.6671 0.7196 0.7196 1.1201 1.1201 6.7376 6.7376 7.1671 7.1671 7.4270 7.4270 7.4320 7.4320 k = 0.3654 0.1533 1.2401 ( 5770 PWs) bands (ev): -71.3658 -71.3658 -38.3085 -38.3085 -38.0286 -38.0286 -38.0112 -38.0112 -26.7218 -26.7218 -26.7156 -26.7156 -10.4879 -10.4879 -10.4863 -10.4863 -10.2574 -10.2574 -10.2317 -10.2317 -10.1977 -10.1977 -10.1415 -10.1415 0.4545 0.4545 0.6686 0.6686 0.7361 0.7361 1.1206 1.1206 6.7117 6.7117 7.2023 7.2023 7.4294 7.4294 7.4376 7.4376 k = 0.3846 0.1613 1.2313 ( 5771 PWs) bands (ev): -71.3658 -71.3658 -38.3085 -38.3085 -38.0286 -38.0286 -38.0112 -38.0112 -26.7218 -26.7218 -26.7157 -26.7157 -10.4878 -10.4878 -10.4862 -10.4862 -10.2566 -10.2566 -10.2330 -10.2330 -10.1967 -10.1967 -10.1416 -10.1416 0.4355 0.4355 0.6704 0.6704 0.7528 0.7528 1.1211 1.1211 6.6907 6.6907 7.2339 7.2339 7.4317 7.4317 7.4428 7.4428 k = 0.4038 0.1694 1.2226 ( 5782 PWs) bands (ev): -71.3658 -71.3658 -38.3085 -38.3085 -38.0286 -38.0286 -38.0112 -38.0112 -26.7218 -26.7218 -26.7157 -26.7157 -10.4877 -10.4877 -10.4861 -10.4861 -10.2559 -10.2559 -10.2341 -10.2341 -10.1957 -10.1957 -10.1417 -10.1417 0.4161 0.4161 0.6725 0.6725 0.7698 0.7698 1.1215 1.1215 6.6750 6.6750 7.2621 7.2621 7.4339 7.4339 7.4463 7.4463 k = 0.4231 0.1775 1.2138 ( 5781 PWs) bands (ev): -71.3658 -71.3658 -38.3085 -38.3085 -38.0286 -38.0286 -38.0112 -38.0112 -26.7218 -26.7218 -26.7158 -26.7158 -10.4876 -10.4876 -10.4860 -10.4860 -10.2553 -10.2553 -10.2351 -10.2351 -10.1948 -10.1948 -10.1419 -10.1419 0.3963 0.3963 0.6748 0.6748 0.7868 0.7868 1.1217 1.1217 6.6647 6.6647 7.2870 7.2870 7.4360 7.4360 7.4469 7.4469 k = 0.4423 0.1855 1.2051 ( 5775 PWs) bands (ev): -71.3658 -71.3658 -38.3085 -38.3085 -38.0286 -38.0286 -38.0112 -38.0112 -26.7219 -26.7219 -26.7158 -26.7158 -10.4875 -10.4875 -10.4858 -10.4858 -10.2548 -10.2548 -10.2357 -10.2357 -10.1940 -10.1940 -10.1420 -10.1420 0.3761 0.3761 0.6774 0.6774 0.8041 0.8041 1.1218 1.1218 6.6599 6.6599 7.3088 7.3088 7.4380 7.4380 7.4436 7.4436 k = 0.4615 0.1936 1.1963 ( 5773 PWs) bands (ev): -71.3658 -71.3658 -38.3085 -38.3085 -38.0286 -38.0286 -38.0112 -38.0112 -26.7219 -26.7219 -26.7159 -26.7159 -10.4874 -10.4874 -10.4855 -10.4855 -10.2546 -10.2546 -10.2359 -10.2359 -10.1934 -10.1934 -10.1421 -10.1421 0.3556 0.3556 0.6802 0.6802 0.8215 0.8215 1.1217 1.1217 6.6607 6.6607 7.3270 7.3270 7.4358 7.4358 7.4404 7.4404 k = 0.4808 0.2017 1.1876 ( 5774 PWs) bands (ev): -71.3658 -71.3658 -38.3085 -38.3085 -38.0286 -38.0286 -38.0112 -38.0112 -26.7219 -26.7219 -26.7160 -26.7160 -10.4872 -10.4872 -10.4853 -10.4853 -10.2547 -10.2547 -10.2357 -10.2357 -10.1929 -10.1929 -10.1422 -10.1422 0.3347 0.3347 0.6833 0.6833 0.8391 0.8391 1.1216 1.1216 6.6671 6.6671 7.3391 7.3391 7.4267 7.4267 7.4421 7.4421 k = 0.5000 0.2097 1.1788 ( 5774 PWs) bands (ev): -71.3658 -71.3658 -38.3085 -38.3085 -38.0286 -38.0286 -38.0112 -38.0112 -26.7219 -26.7219 -26.7161 -26.7161 -10.4871 -10.4871 -10.4850 -10.4850 -10.2550 -10.2550 -10.2350 -10.2350 -10.1925 -10.1925 -10.1422 -10.1422 0.3133 0.3133 0.6867 0.6867 0.8570 0.8570 1.1213 1.1213 6.6790 6.6790 7.3387 7.3387 7.4222 7.4222 7.4439 7.4439 k = 0.5000 0.2097 1.1788 ( 5774 PWs) bands (ev): -71.3658 -71.3658 -38.3085 -38.3085 -38.0286 -38.0286 -38.0112 -38.0112 -26.7219 -26.7219 -26.7161 -26.7161 -10.4871 -10.4871 -10.4850 -10.4850 -10.2550 -10.2550 -10.2350 -10.2350 -10.1925 -10.1925 -10.1422 -10.1422 0.3133 0.3133 0.6867 0.6867 0.8570 0.8570 1.1213 1.1213 6.6790 6.6790 7.3387 7.3387 7.4222 7.4222 7.4439 7.4439 k = 0.5000 0.2097 1.1557 ( 5780 PWs) bands (ev): -71.3658 -71.3658 -38.3085 -38.3085 -38.0286 -38.0286 -38.0112 -38.0112 -26.7220 -26.7220 -26.7163 -26.7163 -10.4867 -10.4867 -10.4842 -10.4842 -10.2561 -10.2561 -10.2327 -10.2327 -10.1917 -10.1917 -10.1423 -10.1423 0.2554 0.2554 0.6968 0.6968 0.9046 0.9046 1.1203 1.1203 6.7209 6.7209 7.3120 7.3120 7.4241 7.4241 7.4490 7.4490 k = 0.5000 0.2097 1.1326 ( 5784 PWs) bands (ev): -71.3658 -71.3658 -38.3085 -38.3085 -38.0286 -38.0286 -38.0112 -38.0112 -26.7221 -26.7221 -26.7166 -26.7166 -10.4862 -10.4862 -10.4833 -10.4833 -10.2570 -10.2570 -10.2302 -10.2302 -10.1907 -10.1907 -10.1425 -10.1425 0.1961 0.1961 0.7088 0.7088 0.9521 0.9521 1.1190 1.1190 6.7697 6.7697 7.2821 7.2821 7.4267 7.4267 7.4549 7.4549 k = 0.5000 0.2097 1.1095 ( 5778 PWs) bands (ev): -71.3658 -71.3658 -38.3084 -38.3084 -38.0285 -38.0285 -38.0112 -38.0112 -26.7222 -26.7222 -26.7169 -26.7169 -10.4856 -10.4856 -10.4822 -10.4822 -10.2578 -10.2578 -10.2277 -10.2277 -10.1896 -10.1896 -10.1425 -10.1425 0.1355 0.1355 0.7226 0.7226 0.9994 0.9994 1.1172 1.1172 6.8247 6.8247 7.2497 7.2497 7.4303 7.4303 7.4618 7.4618 k = 0.5000 0.2097 1.0864 ( 5782 PWs) bands (ev): -71.3658 -71.3658 -38.3084 -38.3084 -38.0285 -38.0285 -38.0112 -38.0112 -26.7223 -26.7223 -26.7173 -26.7173 -10.4849 -10.4849 -10.4810 -10.4810 -10.2584 -10.2584 -10.2251 -10.2251 -10.1884 -10.1884 -10.1426 -10.1426 0.0739 0.0739 0.7383 0.7383 1.0464 1.0464 1.1147 1.1147 6.8851 6.8851 7.2158 7.2158 7.4352 7.4352 7.4697 7.4697 k = 0.5000 0.2097 1.0633 ( 5774 PWs) bands (ev): -71.3658 -71.3658 -38.3084 -38.3084 -38.0285 -38.0285 -38.0112 -38.0112 -26.7225 -26.7225 -26.7177 -26.7177 -10.4842 -10.4842 -10.4797 -10.4797 -10.2588 -10.2588 -10.2224 -10.2224 -10.1872 -10.1872 -10.1427 -10.1427 0.0113 0.0113 0.7557 0.7557 1.0930 1.0930 1.1117 1.1117 6.9500 6.9500 7.1809 7.1809 7.4420 7.4420 7.4785 7.4785 k = 0.5000 0.2097 1.0401 ( 5772 PWs) bands (ev): -71.3658 -71.3658 -38.3084 -38.3084 -38.0285 -38.0285 -38.0112 -38.0112 -26.7226 -26.7226 -26.7182 -26.7182 -10.4833 -10.4833 -10.4783 -10.4783 -10.2590 -10.2590 -10.2197 -10.2197 -10.1858 -10.1858 -10.1427 -10.1427 -0.0521 -0.0521 0.7750 0.7750 1.1075 1.1075 1.1397 1.1397 7.0177 7.0177 7.1459 7.1459 7.4520 7.4520 7.4883 7.4883 k = 0.5000 0.2097 1.0170 ( 5776 PWs) bands (ev): -71.3658 -71.3658 -38.3084 -38.3084 -38.0284 -38.0284 -38.0112 -38.0112 -26.7228 -26.7228 -26.7187 -26.7187 -10.4824 -10.4824 -10.4768 -10.4768 -10.2590 -10.2590 -10.2169 -10.2169 -10.1845 -10.1845 -10.1427 -10.1427 -0.1162 -0.1162 0.7960 0.7960 1.1026 1.1026 1.1860 1.1860 7.0856 7.0856 7.1114 7.1114 7.4672 7.4672 7.4990 7.4990 k = 0.5000 0.2097 0.9939 ( 5778 PWs) bands (ev): -71.3659 -71.3659 -38.3084 -38.3084 -38.0284 -38.0284 -38.0112 -38.0112 -26.7230 -26.7230 -26.7192 -26.7192 -10.4814 -10.4814 -10.4752 -10.4752 -10.2588 -10.2588 -10.2141 -10.2141 -10.1831 -10.1831 -10.1426 -10.1426 -0.1809 -0.1809 0.8188 0.8188 1.0965 1.0965 1.2320 1.2320 7.0780 7.0780 7.1499 7.1499 7.4911 7.4911 7.5108 7.5108 k = 0.5000 0.2097 0.9708 ( 5780 PWs) bands (ev): -71.3659 -71.3659 -38.3084 -38.3084 -38.0284 -38.0284 -38.0112 -38.0112 -26.7232 -26.7232 -26.7197 -26.7197 -10.4804 -10.4804 -10.4734 -10.4734 -10.2583 -10.2583 -10.2112 -10.2112 -10.1816 -10.1816 -10.1424 -10.1424 -0.2461 -0.2461 0.8433 0.8433 1.0892 1.0892 1.2777 1.2777 7.0464 7.0464 7.2053 7.2053 7.5232 7.5232 7.5286 7.5286 k = 0.5000 0.2097 0.9477 ( 5780 PWs) bands (ev): -71.3659 -71.3659 -38.3083 -38.3083 -38.0284 -38.0284 -38.0112 -38.0112 -26.7234 -26.7234 -26.7203 -26.7203 -10.4793 -10.4793 -10.4716 -10.4716 -10.2576 -10.2576 -10.2083 -10.2083 -10.1802 -10.1802 -10.1422 -10.1422 -0.3115 -0.3115 0.8695 0.8695 1.0805 1.0805 1.3231 1.3231 7.0170 7.0170 7.2476 7.2476 7.5371 7.5371 7.5829 7.5829 k = 0.5000 0.2097 0.9246 ( 5780 PWs) bands (ev): -71.3659 -71.3659 -38.3083 -38.3083 -38.0283 -38.0283 -38.0112 -38.0112 -26.7236 -26.7236 -26.7210 -26.7210 -10.4781 -10.4781 -10.4697 -10.4697 -10.2567 -10.2567 -10.2053 -10.2053 -10.1788 -10.1788 -10.1418 -10.1418 -0.3771 -0.3771 0.8974 0.8974 1.0703 1.0703 1.3681 1.3681 6.9903 6.9903 7.2759 7.2759 7.5518 7.5518 7.6550 7.6550 k = 0.5000 0.2097 0.9015 ( 5780 PWs) bands (ev): -71.3659 -71.3659 -38.3083 -38.3083 -38.0283 -38.0283 -38.0111 -38.0111 -26.7238 -26.7238 -26.7216 -26.7216 -10.4769 -10.4769 -10.4677 -10.4677 -10.2555 -10.2555 -10.2024 -10.2024 -10.1775 -10.1775 -10.1412 -10.1412 -0.4428 -0.4428 0.9269 0.9269 1.0585 1.0585 1.4126 1.4126 6.9668 6.9668 7.2932 7.2932 7.5675 7.5675 7.7410 7.7410 k = 0.5000 0.2097 0.8783 ( 5782 PWs) bands (ev): -71.3659 -71.3659 -38.3083 -38.3083 -38.0283 -38.0283 -38.0111 -38.0111 -26.7241 -26.7241 -26.7223 -26.7223 -10.4756 -10.4756 -10.4656 -10.4656 -10.2540 -10.2540 -10.1994 -10.1994 -10.1761 -10.1761 -10.1406 -10.1406 -0.5084 -0.5084 0.9580 0.9580 1.0451 1.0451 1.4566 1.4566 6.9467 6.9467 7.3031 7.3031 7.5842 7.5842 7.8368 7.8368 k = 0.5000 0.2097 0.8552 ( 5780 PWs) bands (ev): -71.3659 -71.3659 -38.3083 -38.3083 -38.0282 -38.0282 -38.0111 -38.0111 -26.7243 -26.7243 -26.7230 -26.7230 -10.4743 -10.4743 -10.4634 -10.4634 -10.2524 -10.2524 -10.1966 -10.1966 -10.1748 -10.1748 -10.1397 -10.1397 -0.5738 -0.5738 0.9907 0.9907 1.0298 1.0298 1.4998 1.4998 6.9303 6.9303 7.3085 7.3085 7.6020 7.6020 7.9392 7.9392 k = 0.5000 0.2097 0.8321 ( 5784 PWs) bands (ev): -71.3659 -71.3659 -38.3082 -38.3082 -38.0282 -38.0282 -38.0111 -38.0111 -26.7246 -26.7246 -26.7237 -26.7237 -10.4729 -10.4729 -10.4611 -10.4611 -10.2505 -10.2505 -10.1938 -10.1938 -10.1735 -10.1735 -10.1387 -10.1387 -0.6389 -0.6389 1.0128 1.0128 1.0250 1.0250 1.5423 1.5423 6.9178 6.9178 7.3111 7.3111 7.6207 7.6207 8.0456 8.0456 k = 0.5000 0.2097 0.8090 ( 5780 PWs) bands (ev): -71.3659 -71.3659 -38.3082 -38.3082 -38.0282 -38.0282 -38.0111 -38.0111 -26.7248 -26.7248 -26.7245 -26.7245 -10.4714 -10.4714 -10.4588 -10.4588 -10.2484 -10.2484 -10.1911 -10.1911 -10.1720 -10.1720 -10.1375 -10.1375 -0.7035 -0.7035 0.9939 0.9939 1.0607 1.0607 1.5838 1.5838 6.9094 6.9094 7.3122 7.3122 7.6405 7.6405 8.1541 8.1541 k = 0.5000 0.2097 0.7859 ( 5768 PWs) bands (ev): -71.3659 -71.3659 -38.3082 -38.3082 -38.0281 -38.0281 -38.0111 -38.0111 -26.7252 -26.7252 -26.7251 -26.7251 -10.4700 -10.4700 -10.4564 -10.4564 -10.2460 -10.2460 -10.1887 -10.1887 -10.1705 -10.1705 -10.1361 -10.1361 -0.7675 -0.7675 0.9731 0.9731 1.0978 1.0978 1.6242 1.6242 6.9051 6.9051 7.3125 7.3125 7.6613 7.6613 8.2629 8.2629 k = 0.5000 0.2097 0.7628 ( 5764 PWs) bands (ev): -71.3659 -71.3659 -38.3081 -38.3081 -38.0281 -38.0281 -38.0111 -38.0111 -26.7260 -26.7260 -26.7254 -26.7254 -10.4684 -10.4684 -10.4540 -10.4540 -10.2435 -10.2435 -10.1866 -10.1866 -10.1688 -10.1688 -10.1346 -10.1346 -0.8308 -0.8308 0.9505 0.9505 1.1363 1.1363 1.6633 1.6633 6.9049 6.9049 7.3128 7.3128 7.6831 7.6831 8.3705 8.3705 k = 0.5000 0.2097 0.7397 ( 5756 PWs) bands (ev): -71.3659 -71.3659 -38.3081 -38.3081 -38.0280 -38.0280 -38.0111 -38.0111 -26.7268 -26.7268 -26.7257 -26.7257 -10.4669 -10.4669 -10.4516 -10.4516 -10.2407 -10.2407 -10.1847 -10.1847 -10.1669 -10.1669 -10.1329 -10.1329 -0.8934 -0.8934 0.9261 0.9261 1.1761 1.1761 1.7010 1.7010 6.9087 6.9087 7.3138 7.3138 7.7059 7.7059 8.4749 8.4749 k = 0.5000 0.2097 0.7165 ( 5758 PWs) bands (ev): -71.3659 -71.3659 -38.3081 -38.3081 -38.0280 -38.0280 -38.0111 -38.0111 -26.7276 -26.7276 -26.7259 -26.7259 -10.4652 -10.4652 -10.4491 -10.4491 -10.2378 -10.2378 -10.1833 -10.1833 -10.1647 -10.1647 -10.1310 -10.1310 -0.9550 -0.9550 0.9000 0.9000 1.2171 1.2171 1.7372 1.7372 6.9164 6.9164 7.3158 7.3158 7.7297 7.7297 8.5322 8.5323 k = 0.5000 0.2097 0.6934 ( 5764 PWs) bands (ev): -71.3659 -71.3659 -38.3081 -38.3081 -38.0280 -38.0280 -38.0110 -38.0110 -26.7285 -26.7285 -26.7262 -26.7262 -10.4636 -10.4636 -10.4466 -10.4466 -10.2346 -10.2346 -10.1822 -10.1822 -10.1622 -10.1622 -10.1290 -10.1290 -1.0157 -1.0157 0.8722 0.8722 1.2594 1.2594 1.7717 1.7717 6.9277 6.9277 7.3193 7.3193 7.7545 7.7545 8.5367 8.5367 k = 0.5000 0.2097 0.6703 ( 5768 PWs) bands (ev): -71.3659 -71.3659 -38.3081 -38.3081 -38.0279 -38.0279 -38.0110 -38.0110 -26.7293 -26.7293 -26.7265 -26.7265 -10.4619 -10.4619 -10.4441 -10.4441 -10.2314 -10.2314 -10.1813 -10.1813 -10.1596 -10.1596 -10.1269 -10.1269 -1.0752 -1.0752 0.8429 0.8429 1.3027 1.3027 1.8043 1.8043 6.9424 6.9424 7.3248 7.3248 7.7803 7.7803 8.5456 8.5456 k = 0.5000 0.2097 0.6472 ( 5776 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0279 -38.0279 -38.0110 -38.0110 -26.7301 -26.7301 -26.7268 -26.7268 -10.4602 -10.4602 -10.4416 -10.4416 -10.2280 -10.2280 -10.1807 -10.1807 -10.1569 -10.1569 -10.1246 -10.1246 -1.1336 -1.1336 0.8122 0.8122 1.3470 1.3470 1.8350 1.8350 6.9601 6.9601 7.3327 7.3327 7.8071 7.8071 8.5592 8.5592 k = 0.5000 0.2097 0.6241 ( 5772 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0279 -38.0279 -38.0110 -38.0110 -26.7309 -26.7309 -26.7271 -26.7271 -10.4585 -10.4585 -10.4390 -10.4390 -10.2244 -10.2244 -10.1802 -10.1802 -10.1541 -10.1541 -10.1222 -10.1222 -1.1906 -1.1906 0.7802 0.7802 1.3922 1.3922 1.8636 1.8636 6.9805 6.9805 7.3434 7.3434 7.8347 7.8347 8.5778 8.5778 k = 0.5000 0.2097 0.6010 ( 5760 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0278 -38.0278 -38.0110 -38.0110 -26.7318 -26.7318 -26.7274 -26.7274 -10.4567 -10.4567 -10.4365 -10.4365 -10.2208 -10.2208 -10.1799 -10.1799 -10.1513 -10.1513 -10.1197 -10.1197 -1.2464 -1.2464 0.7472 0.7472 1.4383 1.4383 1.8901 1.8901 7.0031 7.0031 7.3570 7.3570 7.8633 7.8633 8.6016 8.6016 k = 0.5000 0.2097 0.5779 ( 5776 PWs) bands (ev): -71.3659 -71.3659 -38.3080 -38.3080 -38.0278 -38.0278 -38.0110 -38.0110 -26.7326 -26.7326 -26.7277 -26.7277 -10.4549 -10.4549 -10.4341 -10.4341 -10.2170 -10.2170 -10.1796 -10.1796 -10.1486 -10.1486 -10.1170 -10.1170 -1.3006 -1.3006 0.7132 0.7132 1.4851 1.4851 1.9143 1.9143 7.0275 7.0275 7.3738 7.3738 7.8926 7.8926 8.6310 8.6310 k = 0.5000 0.2097 0.5547 ( 5784 PWs) bands (ev): -71.3659 -71.3659 -38.3079 -38.3079 -38.0278 -38.0278 -38.0110 -38.0110 -26.7334 -26.7334 -26.7280 -26.7280 -10.4531 -10.4531 -10.4316 -10.4316 -10.2132 -10.2132 -10.1794 -10.1794 -10.1459 -10.1459 -10.1143 -10.1143 -1.3534 -1.3534 0.6786 0.6786 1.5324 1.5324 1.9363 1.9363 7.0533 7.0533 7.3939 7.3939 7.9227 7.9227 8.6661 8.6661 k = 0.5000 0.2097 0.5316 ( 5792 PWs) bands (ev): -71.3659 -71.3659 -38.3079 -38.3079 -38.0277 -38.0277 -38.0110 -38.0110 -26.7342 -26.7342 -26.7283 -26.7283 -10.4513 -10.4513 -10.4292 -10.4292 -10.2094 -10.2094 -10.1793 -10.1793 -10.1434 -10.1434 -10.1114 -10.1114 -1.4045 -1.4045 0.6434 0.6434 1.5803 1.5803 1.9561 1.9561 7.0799 7.0799 7.4174 7.4174 7.9535 7.9535 8.7072 8.7072 k = 0.5000 0.2097 0.5085 ( 5800 PWs) bands (ev): -71.3659 -71.3659 -38.3079 -38.3079 -38.0277 -38.0277 -38.0110 -38.0110 -26.7350 -26.7350 -26.7286 -26.7286 -10.4496 -10.4496 -10.4268 -10.4268 -10.2055 -10.2055 -10.1791 -10.1791 -10.1409 -10.1409 -10.1085 -10.1085 -1.4541 -1.4541 0.6079 0.6079 1.6284 1.6284 1.9736 1.9736 7.1069 7.1069 7.4444 7.4444 7.9848 7.9848 8.7543 8.7543 k = 0.5000 0.2097 0.4854 ( 5800 PWs) bands (ev): -71.3659 -71.3659 -38.3079 -38.3079 -38.0277 -38.0277 -38.0110 -38.0110 -26.7358 -26.7358 -26.7288 -26.7288 -10.4478 -10.4478 -10.4245 -10.4245 -10.2017 -10.2017 -10.1789 -10.1789 -10.1387 -10.1387 -10.1054 -10.1054 -1.5018 -1.5018 0.5723 0.5723 1.6768 1.6768 1.9890 1.9890 7.1340 7.1340 7.4746 7.4746 8.0165 8.0165 8.8022 8.8022 k = 0.5000 0.2097 0.4623 ( 5798 PWs) bands (ev): -71.3659 -71.3659 -38.3079 -38.3079 -38.0276 -38.0276 -38.0110 -38.0110 -26.7365 -26.7365 -26.7291 -26.7291 -10.4460 -10.4460 -10.4222 -10.4222 -10.1979 -10.1979 -10.1786 -10.1786 -10.1365 -10.1365 -10.1024 -10.1024 -1.5478 -1.5478 0.5368 0.5368 1.7251 1.7251 2.0022 2.0022 7.1607 7.1607 7.5080 7.5080 8.0484 8.0484 8.8137 8.8137 k = 0.5000 0.2097 0.4392 ( 5804 PWs) bands (ev): -71.3659 -71.3659 -38.3079 -38.3079 -38.0276 -38.0276 -38.0110 -38.0110 -26.7373 -26.7373 -26.7294 -26.7294 -10.4443 -10.4443 -10.4200 -10.4200 -10.1942 -10.1942 -10.1782 -10.1782 -10.1346 -10.1346 -10.0992 -10.0992 -1.5919 -1.5919 0.5016 0.5016 1.7733 1.7733 2.0134 2.0134 7.1867 7.1867 7.5443 7.5443 8.0804 8.0804 8.8252 8.8252 k = 0.5000 0.2097 0.4161 ( 5804 PWs) bands (ev): -71.3659 -71.3659 -38.3078 -38.3078 -38.0276 -38.0276 -38.0110 -38.0110 -26.7380 -26.7380 -26.7297 -26.7297 -10.4426 -10.4426 -10.4179 -10.4179 -10.1907 -10.1907 -10.1776 -10.1776 -10.1328 -10.1328 -10.0961 -10.0961 -1.6341 -1.6341 0.4669 0.4669 1.8212 1.8212 2.0227 2.0227 7.2119 7.2119 7.5831 7.5831 8.1122 8.1122 8.8371 8.8371 k = 0.5000 0.2097 0.3929 ( 5808 PWs) bands (ev): -71.3659 -71.3659 -38.3078 -38.3078 -38.0276 -38.0276 -38.0110 -38.0110 -26.7387 -26.7387 -26.7299 -26.7299 -10.4410 -10.4410 -10.4158 -10.4158 -10.1875 -10.1875 -10.1767 -10.1767 -10.1311 -10.1311 -10.0929 -10.0929 -1.6744 -1.6744 0.4329 0.4329 1.8685 1.8685 2.0302 2.0302 7.2359 7.2359 7.6242 7.6242 8.1434 8.1434 8.8493 8.8493 k = 0.5000 0.2097 0.3698 ( 5812 PWs) bands (ev): -71.3659 -71.3659 -38.3078 -38.3078 -38.0275 -38.0275 -38.0110 -38.0110 -26.7393 -26.7393 -26.7302 -26.7302 -10.4395 -10.4395 -10.4138 -10.4138 -10.1849 -10.1849 -10.1753 -10.1753 -10.1297 -10.1297 -10.0898 -10.0898 -1.7126 -1.7126 0.3997 0.3997 1.9150 1.9150 2.0361 2.0361 7.2586 7.2586 7.6670 7.6670 8.1735 8.1735 8.8617 8.8617 k = 0.5000 0.2097 0.3467 ( 5804 PWs) bands (ev): -71.3659 -71.3659 -38.3078 -38.3078 -38.0275 -38.0275 -38.0110 -38.0110 -26.7400 -26.7400 -26.7304 -26.7304 -10.4380 -10.4380 -10.4119 -10.4119 -10.1831 -10.1831 -10.1733 -10.1733 -10.1284 -10.1284 -10.0868 -10.0868 -1.7488 -1.7488 0.3677 0.3677 1.9606 1.9606 2.0405 2.0405 7.2800 7.2800 7.7111 7.7111 8.2021 8.2021 8.8743 8.8743 k = 0.5000 0.2097 0.3236 ( 5792 PWs) bands (ev): -71.3659 -71.3659 -38.3077 -38.3077 -38.0275 -38.0275 -38.0110 -38.0110 -26.7406 -26.7406 -26.7306 -26.7306 -10.4365 -10.4365 -10.4100 -10.4100 -10.1819 -10.1819 -10.1706 -10.1706 -10.1272 -10.1272 -10.0838 -10.0838 -1.7829 -1.7829 0.3368 0.3368 2.0050 2.0050 2.0436 2.0436 7.3000 7.3000 7.7559 7.7559 8.2282 8.2282 8.8869 8.8869 k = 0.5000 0.2097 0.3005 ( 5784 PWs) bands (ev): -71.3659 -71.3659 -38.3077 -38.3077 -38.0274 -38.0274 -38.0109 -38.0109 -26.7412 -26.7412 -26.7308 -26.7308 -10.4352 -10.4352 -10.4083 -10.4083 -10.1811 -10.1811 -10.1677 -10.1677 -10.1262 -10.1262 -10.0809 -10.0809 -1.8148 -1.8148 0.3074 0.3074 2.0454 2.0454 2.0482 2.0482 7.3186 7.3186 7.8008 7.8008 8.2511 8.2511 8.8994 8.8994 k = 0.5000 0.2097 0.2774 ( 5782 PWs) bands (ev): -71.3659 -71.3659 -38.3077 -38.3077 -38.0274 -38.0274 -38.0109 -38.0109 -26.7417 -26.7417 -26.7310 -26.7310 -10.4340 -10.4340 -10.4066 -10.4066 -10.1805 -10.1805 -10.1646 -10.1646 -10.1254 -10.1254 -10.0781 -10.0781 -1.8445 -1.8445 0.2795 0.2795 2.0466 2.0466 2.0892 2.0892 7.3357 7.3357 7.8454 7.8454 8.2696 8.2696 8.9117 8.9117 k = 0.5000 0.2097 0.2543 ( 5778 PWs) bands (ev): -71.3659 -71.3659 -38.3077 -38.3077 -38.0274 -38.0274 -38.0109 -38.0109 -26.7422 -26.7422 -26.7312 -26.7312 -10.4328 -10.4328 -10.4051 -10.4051 -10.1801 -10.1801 -10.1615 -10.1615 -10.1247 -10.1247 -10.0755 -10.0755 -1.8720 -1.8720 0.2533 0.2533 2.0468 2.0468 2.1285 2.1285 7.3513 7.3513 7.8888 7.8888 8.2822 8.2822 8.9237 8.9237 k = 0.5000 0.2097 0.2311 ( 5776 PWs) bands (ev): -71.3659 -71.3659 -38.3077 -38.3077 -38.0273 -38.0273 -38.0109 -38.0109 -26.7427 -26.7427 -26.7314 -26.7314 -10.4318 -10.4318 -10.4036 -10.4036 -10.1798 -10.1798 -10.1585 -10.1585 -10.1242 -10.1242 -10.0730 -10.0730 -1.8972 -1.8972 0.2290 0.2290 2.0465 2.0465 2.1656 2.1656 7.3655 7.3655 7.9307 7.9307 8.2879 8.2879 8.9111 8.9111 k = 0.5000 0.2097 0.2080 ( 5768 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0273 -38.0273 -38.0109 -38.0109 -26.7431 -26.7431 -26.7315 -26.7315 -10.4308 -10.4308 -10.4022 -10.4022 -10.1795 -10.1795 -10.1556 -10.1556 -10.1239 -10.1239 -10.0707 -10.0707 -1.9201 -1.9201 0.2066 0.2066 2.0456 2.0456 2.2001 2.2001 7.3782 7.3782 7.9704 7.9704 8.2858 8.2858 8.8720 8.8720 k = 0.5000 0.2097 0.1849 ( 5768 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0273 -38.0273 -38.0109 -38.0109 -26.7435 -26.7435 -26.7317 -26.7317 -10.4299 -10.4299 -10.4010 -10.4010 -10.1793 -10.1793 -10.1529 -10.1529 -10.1236 -10.1236 -10.0686 -10.0686 -1.9407 -1.9407 0.1862 0.1862 2.0444 2.0444 2.2319 2.2319 7.3896 7.3896 8.0074 8.0074 8.2762 8.2762 8.8456 8.8456 k = 0.5000 0.2097 0.1618 ( 5770 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0273 -38.0273 -38.0109 -38.0109 -26.7438 -26.7438 -26.7318 -26.7318 -10.4292 -10.4292 -10.3999 -10.3999 -10.1791 -10.1791 -10.1503 -10.1503 -10.1235 -10.1235 -10.0667 -10.0667 -1.9589 -1.9589 0.1681 0.1681 2.0430 2.0430 2.2607 2.2607 7.3996 7.3996 8.0411 8.0411 8.2605 8.2605 8.8303 8.8303 k = 0.5000 0.2097 0.1387 ( 5772 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0273 -38.0273 -38.0109 -38.0109 -26.7441 -26.7441 -26.7319 -26.7319 -10.4285 -10.4285 -10.3989 -10.3989 -10.1789 -10.1789 -10.1480 -10.1480 -10.1235 -10.1235 -10.0651 -10.0651 -1.9747 -1.9747 0.1521 0.1521 2.0416 2.0416 2.2862 2.2862 7.4082 7.4082 8.0713 8.0713 8.2411 8.2411 8.8238 8.8238 k = 0.5000 0.2097 0.1156 ( 5776 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0273 -38.0273 -38.0109 -38.0109 -26.7444 -26.7444 -26.7320 -26.7320 -10.4280 -10.4280 -10.3981 -10.3981 -10.1787 -10.1787 -10.1459 -10.1459 -10.1237 -10.1237 -10.0636 -10.0636 -1.9882 -1.9882 0.1385 0.1385 2.0401 2.0401 2.3082 2.3082 7.4155 7.4155 8.0974 8.0974 8.2204 8.2204 8.8232 8.8232 k = 0.5000 0.2097 0.0925 ( 5780 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0273 -38.0273 -38.0109 -38.0109 -26.7446 -26.7446 -26.7321 -26.7321 -10.4276 -10.4276 -10.3974 -10.3974 -10.1786 -10.1786 -10.1440 -10.1440 -10.1239 -10.1239 -10.0625 -10.0625 -1.9992 -1.9992 0.1273 0.1273 2.0389 2.0389 2.3265 2.3265 7.4214 7.4214 8.1190 8.1190 8.2007 8.2007 8.8261 8.8261 k = 0.5000 0.2097 0.0693 ( 5770 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0273 -38.0273 -38.0109 -38.0109 -26.7447 -26.7447 -26.7321 -26.7321 -10.4272 -10.4272 -10.3969 -10.3969 -10.1785 -10.1785 -10.1425 -10.1425 -10.1241 -10.1241 -10.0615 -10.0615 -2.0078 -2.0078 0.1185 0.1185 2.0378 2.0378 2.3410 2.3410 7.4260 7.4260 8.1360 8.1360 8.1839 8.1839 8.8304 8.8304 k = 0.5000 0.2097 0.0462 ( 5764 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0272 -38.0272 -38.0109 -38.0109 -26.7448 -26.7448 -26.7322 -26.7322 -10.4270 -10.4270 -10.3965 -10.3965 -10.1784 -10.1784 -10.1414 -10.1414 -10.1243 -10.1243 -10.0609 -10.0609 -2.0139 -2.0139 0.1122 0.1122 2.0370 2.0370 2.3514 2.3514 7.4293 7.4293 8.1476 8.1476 8.1718 8.1718 8.8345 8.8345 k = 0.5000 0.2097 0.0231 ( 5756 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0272 -38.0272 -38.0109 -38.0109 -26.7449 -26.7449 -26.7322 -26.7322 -10.4268 -10.4268 -10.3962 -10.3962 -10.1784 -10.1784 -10.1407 -10.1407 -10.1244 -10.1244 -10.0605 -10.0605 -2.0176 -2.0176 0.1084 0.1084 2.0365 2.0365 2.3577 2.3577 7.4313 7.4313 8.1528 8.1528 8.1661 8.1661 8.8373 8.8373 k = 0.5000 0.2097-0.0000 ( 5740 PWs) bands (ev): -71.3659 -71.3659 -38.3076 -38.3076 -38.0272 -38.0272 -38.0108 -38.0108 -26.7449 -26.7449 -26.7322 -26.7322 -10.4268 -10.4268 -10.3962 -10.3962 -10.1784 -10.1784 -10.1404 -10.1404 -10.1245 -10.1245 -10.0603 -10.0603 -2.0188 -2.0188 0.1071 0.1071 2.0363 2.0363 2.3598 2.3598 7.4320 7.4320 8.1532 8.1532 8.1655 8.1655 8.8384 8.8384 k = 0.0000 0.0000 1.2926 ( 5790 PWs) bands (ev): -71.3658 -71.3658 -38.3085 -38.3085 -38.0286 -38.0286 -38.0112 -38.0112 -26.7217 -26.7217 -26.7155 -26.7155 -10.4878 -10.4878 -10.4871 -10.4871 -10.2498 -10.2498 -10.2429 -10.2429 -10.1944 -10.1944 -10.1420 -10.1420 0.5310 0.5310 0.6625 0.6625 0.6644 0.6644 1.1229 1.1229 6.5828 6.5828 7.4009 7.4009 7.4215 7.4215 7.4327 7.4327 k = 0.0208 0.0087 1.2926 ( 5790 PWs) bands (ev): -71.3658 -71.3658 -38.3085 -38.3085 -38.0286 -38.0286 -38.0112 -38.0112 -26.7217 -26.7217 -26.7155 -26.7155 -10.4878 -10.4878 -10.4871 -10.4871 -10.2503 -10.2503 -10.2423 -10.2423 -10.1945 -10.1945 -10.1420 -10.1420 0.5311 0.5311 0.6625 0.6625 0.6644 0.6644 1.1228 1.1228 6.5855 6.5855 7.3996 7.3996 7.4179 7.4179 7.4326 7.4326 k = 0.0417 0.0175 1.2926 ( 5786 PWs) bands (ev): -71.3658 -71.3658 -38.3085 -38.3085 -38.0286 -38.0286 -38.0112 -38.0112 -26.7217 -26.7217 -26.7155 -26.7155 -10.4879 -10.4879 -10.4870 -10.4870 -10.2514 -10.2514 -10.2409 -10.2409 -10.1948 -10.1948 -10.1419 -10.1419 0.5312 0.5312 0.6625 0.6625 0.6644 0.6644 1.1225 1.1225 6.5937 6.5937 7.3922 7.3922 7.4110 7.4110 7.4322 7.4322 k = 0.0625 0.0262 1.2926 ( 5776 PWs) bands (ev): -71.3658 -71.3658 -38.3085 -38.3085 -38.0286 -38.0286 -38.0112 -38.0112 -26.7217 -26.7217 -26.7155 -26.7155 -10.4879 -10.4879 -10.4870 -10.4870 -10.2528 -10.2528 -10.2392 -10.2392 -10.1953 -10.1953 -10.1419 -10.1419 0.5315 0.5315 0.6625 0.6625 0.6644 0.6644 1.1222 1.1222 6.6072 6.6072 7.3718 7.3718 7.4083 7.4083 7.4315 7.4315 k = 0.0833 0.0350 1.2926 ( 5772 PWs) bands (ev): -71.3658 -71.3658 -38.3085 -38.3085 -38.0286 -38.0286 -38.0112 -38.0112 -26.7217 -26.7217 -26.7155 -26.7155 -10.4880 -10.4880 -10.4869 -10.4869 -10.2541 -10.2541 -10.2373 -10.2373 -10.1960 -10.1960 -10.1418 -10.1418 0.5318 0.5318 0.6626 0.6626 0.6644 0.6644 1.1217 1.1217 6.6259 6.6259 7.3411 7.3411 7.4079 7.4079 7.4306 7.4306 k = 0.1042 0.0437 1.2926 ( 5772 PWs) bands (ev): -71.3658 -71.3658 -38.3085 -38.3085 -38.0286 -38.0286 -38.0112 -38.0112 -26.7217 -26.7217 -26.7155 -26.7155 -10.4881 -10.4881 -10.4868 -10.4868 -10.2554 -10.2554 -10.2353 -10.2353 -10.1968 -10.1968 -10.1417 -10.1417 0.5321 0.5321 0.6626 0.6626 0.6644 0.6644 1.1211 1.1211 6.6497 6.6497 7.3029 7.3029 7.4084 7.4084 7.4295 7.4295 k = 0.1250 0.0524 1.2926 ( 5776 PWs) bands (ev): -71.3658 -71.3658 -38.3085 -38.3085 -38.0286 -38.0286 -38.0112 -38.0112 -26.7217 -26.7217 -26.7155 -26.7155 -10.4881 -10.4881 -10.4867 -10.4867 -10.2566 -10.2566 -10.2334 -10.2334 -10.1977 -10.1977 -10.1415 -10.1415 0.5325 0.5325 0.6626 0.6626 0.6644 0.6644 1.1205 1.1205 6.6782 6.6782 7.2591 7.2591 7.4092 7.4092 7.4283 7.4283 k = 0.1458 0.0612 1.2926 ( 5774 PWs) bands (ev): -71.3658 -71.3658 -38.3085 -38.3085 -38.0286 -38.0286 -38.0112 -38.0112 -26.7217 -26.7217 -26.7155 -26.7155 -10.4882 -10.4882 -10.4867 -10.4867 -10.2576 -10.2576 -10.2315 -10.2315 -10.1986 -10.1986 -10.1414 -10.1414 0.5328 0.5328 0.6626 0.6626 0.6643 0.6643 1.1199 1.1199 6.7113 6.7113 7.2110 7.2110 7.4103 7.4103 7.4268 7.4268 k = 0.1667 0.0699 1.2926 ( 5772 PWs) bands (ev): -71.3658 -71.3658 -38.3085 -38.3085 -38.0286 -38.0286 -38.0112 -38.0112 -26.7217 -26.7217 -26.7155 -26.7155 -10.4882 -10.4882 -10.4866 -10.4866 -10.2585 -10.2585 -10.2298 -10.2298 -10.1996 -10.1996 -10.1413 -10.1413 0.5332 0.5332 0.6626 0.6626 0.6643 0.6643 1.1194 1.1194 6.7484 6.7484 7.1603 7.1603 7.4115 7.4115 7.4253 7.4253 k = 0.1875 0.0787 1.2926 ( 5768 PWs) bands (ev): -71.3658 -71.3658 -38.3085 -38.3085 -38.0286 -38.0286 -38.0112 -38.0112 -26.7217 -26.7217 -26.7155 -26.7155 -10.4883 -10.4883 -10.4866 -10.4866 -10.2592 -10.2592 -10.2283 -10.2283 -10.2005 -10.2005 -10.1412 -10.1412 0.5335 0.5335 0.6626 0.6626 0.6643 0.6643 1.1189 1.1189 6.7888 6.7888 7.1083 7.1083 7.4129 7.4129 7.4237 7.4237 k = 0.2083 0.0874 1.2926 ( 5780 PWs) bands (ev): -71.3658 -71.3658 -38.3085 -38.3085 -38.0286 -38.0286 -38.0112 -38.0112 -26.7217 -26.7217 -26.7155 -26.7155 -10.4883 -10.4883 -10.4865 -10.4865 -10.2597 -10.2597 -10.2272 -10.2272 -10.2012 -10.2012 -10.1412 -10.1412 0.5337 0.5337 0.6627 0.6627 0.6643 0.6643 1.1185 1.1185 6.8315 6.8315 7.0569 7.0569 7.4143 7.4143 7.4220 7.4220 k = 0.2292 0.0961 1.2926 ( 5774 PWs) bands (ev): -71.3658 -71.3658 -38.3085 -38.3085 -38.0286 -38.0286 -38.0112 -38.0112 -26.7217 -26.7217 -26.7155 -26.7155 -10.4883 -10.4883 -10.4865 -10.4865 -10.2600 -10.2600 -10.2264 -10.2264 -10.2017 -10.2017 -10.1411 -10.1411 0.5339 0.5339 0.6627 0.6627 0.6643 0.6643 1.1183 1.1183 6.8726 6.8726 7.0103 7.0103 7.4157 7.4157 7.4206 7.4206 k = 0.2500 0.1049 1.2926 ( 5772 PWs) bands (ev): -71.3658 -71.3658 -38.3085 -38.3085 -38.0286 -38.0286 -38.0112 -38.0112 -26.7217 -26.7217 -26.7155 -26.7155 -10.4883 -10.4883 -10.4865 -10.4865 -10.2601 -10.2601 -10.2262 -10.2262 -10.2019 -10.2019 -10.1411 -10.1411 0.5339 0.5339 0.6627 0.6627 0.6643 0.6643 1.1182 1.1182 6.8955 6.8955 6.9857 6.9857 7.4164 7.4164 7.4198 7.4198 Writing output data file K2MgH4.save init_run : 0.60s CPU 0.75s WALL ( 1 calls) electrons : 223.77s CPU 225.99s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.06s CPU 0.11s WALL ( 1 calls) Called by electrons: c_bands : 223.76s CPU 225.98s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.05s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.06s WALL ( 338 calls) cegterg : 202.23s CPU 203.84s WALL ( 569 calls) Called by sum_band: Called by *egterg: h_psi : 163.69s CPU 165.40s WALL ( 8991 calls) s_psi : 2.56s CPU 2.65s WALL ( 8991 calls) g_psi : 0.26s CPU 0.25s WALL ( 8084 calls) cdiaghg : 39.05s CPU 39.52s WALL ( 8422 calls) cegterg:over : 5.07s CPU 4.86s WALL ( 8084 calls) cegterg:upda : 5.28s CPU 5.26s WALL ( 8084 calls) cegterg:last : 2.24s CPU 2.21s WALL ( 1245 calls) cdiaghg:chol : 2.29s CPU 2.28s WALL ( 8422 calls) cdiaghg:inve : 1.12s CPU 1.14s WALL ( 8422 calls) cdiaghg:para : 2.23s CPU 2.27s WALL ( 16844 calls) Called by h_psi: h_psi:vloc : 157.21s CPU 158.49s WALL ( 8991 calls) h_psi:vnl : 6.27s CPU 6.68s WALL ( 8991 calls) add_vuspsi : 2.86s CPU 3.26s WALL ( 8991 calls) General routines calbec : 3.37s CPU 3.39s WALL ( 8991 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 144.59s CPU 145.56s WALL ( 627380 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.19s CPU 0.22s WALL ( 676 calls) Parallel routines fft_scatter : 42.74s CPU 42.16s WALL ( 627403 calls) PWSCF : 3m59.86s CPU 4m16.97s WALL This run was terminated on: 18:43:56 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=