Program PWSCF v.5.1.1 starts on 13Jun2016 at 0:52:20 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BaSi3Pt.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 79 32 9 2081 529 86 Max 80 33 10 2085 545 89 Sum 3829 1563 457 99983 25855 4189 bravais-lattice index = 14 lattice parameter (alat) = 11.1478 a.u. unit-cell volume = 656.7010 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.147760 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.720838 celldm(5)= -0.720838 celldm(6)= 0.441676 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.441676 0.897174 0.000000 ) a(3) = ( -0.720838 -0.448587 0.528358 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.492297 0.946329 ) b(2) = ( 0.000000 1.114611 0.946329 ) b(3) = ( 0.000000 0.000000 1.892658 ) PseudoPot. # 1 for Ba read from file: /home/autes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 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 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Pt read from file: /home/autes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc 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 1277 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 Si read from file: /home/autes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) Pt 10.00 195.08400 Pt( 1.00) Si 4.00 28.08550 Si( 1.00) 2 Sym. Ops. (no 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 inv. 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 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 s 2 -E -1 -s -2 Cartesian axes number of k points= 335 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 2) = ( 0.0000000 0.0000000 0.0185555), wk = 0.0029851 k( 3) = ( 0.0000000 0.0000000 0.0371109), wk = 0.0029851 k( 4) = ( 0.0000000 0.0000000 0.0556664), wk = 0.0029851 k( 5) = ( 0.0000000 0.0000000 0.0742219), wk = 0.0029851 k( 6) = ( 0.0000000 0.0000000 0.0927773), wk = 0.0029851 k( 7) = ( 0.0000000 0.0000000 0.1113328), wk = 0.0029851 k( 8) = ( 0.0000000 0.0000000 0.1298883), wk = 0.0029851 k( 9) = ( 0.0000000 0.0000000 0.1484437), wk = 0.0029851 k( 10) = ( 0.0000000 0.0000000 0.1669992), wk = 0.0029851 k( 11) = ( 0.0000000 0.0000000 0.1855547), wk = 0.0029851 k( 12) = ( 0.0000000 0.0000000 0.2041101), wk = 0.0029851 k( 13) = ( 0.0000000 0.0000000 0.2226656), wk = 0.0029851 k( 14) = ( 0.0000000 0.0000000 0.2412211), wk = 0.0029851 k( 15) = ( 0.0000000 0.0000000 0.2597765), wk = 0.0029851 k( 16) = ( 0.0000000 0.0000000 0.2783320), wk = 0.0029851 k( 17) = ( 0.0000000 0.0000000 0.2968875), wk = 0.0029851 k( 18) = ( 0.0000000 0.0000000 0.3154429), wk = 0.0029851 k( 19) = ( 0.0000000 0.0000000 0.3339984), wk = 0.0029851 k( 20) = ( 0.0000000 0.0000000 0.3525539), wk = 0.0029851 k( 21) = ( 0.0000000 0.0000000 0.3711093), wk = 0.0029851 k( 22) = ( 0.0000000 0.0000000 0.3896648), wk = 0.0029851 k( 23) = ( 0.0000000 0.0000000 0.4082202), wk = 0.0029851 k( 24) = ( 0.0000000 0.0000000 0.4267757), wk = 0.0029851 k( 25) = ( 0.0000000 0.0000000 0.4453312), wk = 0.0029851 k( 26) = ( 0.0000000 0.0000000 0.4638866), wk = 0.0029851 k( 27) = ( 0.0000000 0.0000000 0.4824421), wk = 0.0029851 k( 28) = ( 0.0000000 0.0000000 0.5009976), wk = 0.0029851 k( 29) = ( 0.0000000 0.0000000 0.5195530), wk = 0.0029851 k( 30) = ( 0.0000000 0.0000000 0.5381085), wk = 0.0029851 k( 31) = ( 0.0000000 0.0000000 0.5566640), wk = 0.0029851 k( 32) = ( 0.0000000 0.0000000 0.5752194), wk = 0.0029851 k( 33) = ( 0.0000000 0.0000000 0.5937749), wk = 0.0029851 k( 34) = ( 0.0000000 0.0000000 0.6123304), wk = 0.0029851 k( 35) = ( 0.0000000 0.0000000 0.6308858), wk = 0.0029851 k( 36) = ( 0.0000000 0.0000000 0.6494413), wk = 0.0029851 k( 37) = ( 0.0000000 0.0000000 0.6679968), wk = 0.0029851 k( 38) = ( 0.0000000 0.0000000 0.6865522), wk = 0.0029851 k( 39) = ( 0.0000000 0.0000000 0.7051077), wk = 0.0029851 k( 40) = ( 0.0000000 0.0000000 0.7236632), wk = 0.0029851 k( 41) = ( 0.0000000 0.0000000 0.7422186), wk = 0.0029851 k( 42) = ( 0.0000000 0.0000000 0.7607741), wk = 0.0029851 k( 43) = ( 0.0000000 0.0000000 0.7793296), wk = 0.0029851 k( 44) = ( 0.0000000 0.0000000 0.7978850), wk = 0.0029851 k( 45) = ( 0.0000000 0.0000000 0.8164405), wk = 0.0029851 k( 46) = ( 0.0000000 0.0000000 0.8349960), wk = 0.0029851 k( 47) = ( 0.0000000 0.0000000 0.8535514), wk = 0.0029851 k( 48) = ( 0.0000000 0.0000000 0.8721069), wk = 0.0029851 k( 49) = ( 0.0000000 0.0000000 0.8906624), wk = 0.0029851 k( 50) = ( 0.0000000 0.0000000 0.9092178), wk = 0.0029851 k( 51) = ( 0.0000000 0.0000000 0.9277733), wk = 0.0029851 k( 52) = ( 0.0000000 0.0000000 0.9463288), wk = 0.0029851 k( 53) = ( 0.0000000 0.0000000 0.9463288), wk = 0.0029851 k( 54) = ( -0.0096818 0.0155578 0.9463288), wk = 0.0029851 k( 55) = ( -0.0193637 0.0311157 0.9463288), wk = 0.0029851 k( 56) = ( -0.0290455 0.0466735 0.9463288), wk = 0.0029851 k( 57) = ( -0.0387274 0.0622313 0.9463288), wk = 0.0029851 k( 58) = ( -0.0484092 0.0777892 0.9463288), wk = 0.0029851 k( 59) = ( -0.0580911 0.0933470 0.9463288), wk = 0.0029851 k( 60) = ( -0.0677729 0.1089048 0.9463288), wk = 0.0029851 k( 61) = ( -0.0774548 0.1244627 0.9463288), wk = 0.0029851 k( 62) = ( -0.0871366 0.1400205 0.9463288), wk = 0.0029851 k( 63) = ( -0.0968185 0.1555783 0.9463288), wk = 0.0029851 k( 64) = ( -0.0968185 0.1555783 0.9463288), wk = 0.0029851 k( 65) = ( -0.1037699 0.1667486 0.9331721), wk = 0.0029851 k( 66) = ( -0.1107213 0.1779188 0.9200155), wk = 0.0029851 k( 67) = ( -0.1176727 0.1890891 0.9068589), wk = 0.0029851 k( 68) = ( -0.1246241 0.2002594 0.8937022), wk = 0.0029851 k( 69) = ( -0.1315755 0.2114297 0.8805456), wk = 0.0029851 k( 70) = ( -0.1385269 0.2225999 0.8673890), wk = 0.0029851 k( 71) = ( -0.1454783 0.2337702 0.8542323), wk = 0.0029851 k( 72) = ( -0.1524297 0.2449405 0.8410757), wk = 0.0029851 k( 73) = ( -0.1593811 0.2561107 0.8279191), wk = 0.0029851 k( 74) = ( -0.1663325 0.2672810 0.8147625), wk = 0.0029851 k( 75) = ( -0.1732839 0.2784513 0.8016058), wk = 0.0029851 k( 76) = ( -0.1802353 0.2896215 0.7884492), wk = 0.0029851 k( 77) = ( -0.1871867 0.3007918 0.7752926), wk = 0.0029851 k( 78) = ( -0.1941381 0.3119621 0.7621359), wk = 0.0029851 k( 79) = ( -0.2010895 0.3231323 0.7489793), wk = 0.0029851 k( 80) = ( -0.2080410 0.3343026 0.7358227), wk = 0.0029851 k( 81) = ( -0.2149923 0.3454729 0.7226660), wk = 0.0029851 k( 82) = ( -0.2219438 0.3566431 0.7095094), wk = 0.0029851 k( 83) = ( -0.2288952 0.3678134 0.6963528), wk = 0.0029851 k( 84) = ( -0.2358466 0.3789837 0.6831961), wk = 0.0029851 k( 85) = ( -0.2427980 0.3901540 0.6700395), wk = 0.0029851 k( 86) = ( -0.2497494 0.4013242 0.6568829), wk = 0.0029851 k( 87) = ( -0.2567008 0.4124945 0.6437262), wk = 0.0029851 k( 88) = ( -0.2636522 0.4236647 0.6305696), wk = 0.0029851 k( 89) = ( -0.2706036 0.4348350 0.6174130), wk = 0.0029851 k( 90) = ( -0.2775550 0.4460053 0.6042564), wk = 0.0029851 k( 91) = ( -0.2845064 0.4571756 0.5910997), wk = 0.0029851 k( 92) = ( -0.2914578 0.4683458 0.5779431), wk = 0.0029851 k( 93) = ( -0.2984092 0.4795161 0.5647865), wk = 0.0029851 k( 94) = ( -0.2984092 0.4795161 0.5647865), wk = 0.0029851 k( 95) = ( -0.2914695 0.4683646 0.5516519), wk = 0.0029851 k( 96) = ( -0.2845297 0.4572130 0.5385173), wk = 0.0029851 k( 97) = ( -0.2775900 0.4460615 0.5253828), wk = 0.0029851 k( 98) = ( -0.2706502 0.4349099 0.5122482), wk = 0.0029851 k( 99) = ( -0.2637105 0.4237584 0.4991136), wk = 0.0029851 k( 100) = ( -0.2567707 0.4126069 0.4859791), wk = 0.0029851 k( 101) = ( -0.2498310 0.4014553 0.4728445), wk = 0.0029851 k( 102) = ( -0.2428912 0.3903038 0.4597099), wk = 0.0029851 k( 103) = ( -0.2359515 0.3791523 0.4465753), wk = 0.0029851 k( 104) = ( -0.2290117 0.3680007 0.4334408), wk = 0.0029851 k( 105) = ( -0.2220720 0.3568492 0.4203062), wk = 0.0029851 k( 106) = ( -0.2151322 0.3456976 0.4071716), wk = 0.0029851 k( 107) = ( -0.2081925 0.3345461 0.3940371), wk = 0.0029851 k( 108) = ( -0.2012527 0.3233946 0.3809025), wk = 0.0029851 k( 109) = ( -0.1943130 0.3122430 0.3677679), wk = 0.0029851 k( 110) = ( -0.1873732 0.3010915 0.3546334), wk = 0.0029851 k( 111) = ( -0.1804335 0.2899400 0.3414988), wk = 0.0029851 k( 112) = ( -0.1734937 0.2787884 0.3283642), wk = 0.0029851 k( 113) = ( -0.1665540 0.2676369 0.3152297), wk = 0.0029851 k( 114) = ( -0.1596142 0.2564854 0.3020951), wk = 0.0029851 k( 115) = ( -0.1526745 0.2453338 0.2889605), wk = 0.0029851 k( 116) = ( -0.1457347 0.2341823 0.2758260), wk = 0.0029851 k( 117) = ( -0.1387950 0.2230307 0.2626914), wk = 0.0029851 k( 118) = ( -0.1318552 0.2118792 0.2495568), wk = 0.0029851 k( 119) = ( -0.1249155 0.2007277 0.2364222), wk = 0.0029851 k( 120) = ( -0.1179757 0.1895761 0.2232877), wk = 0.0029851 k( 121) = ( -0.1110360 0.1784246 0.2101531), wk = 0.0029851 k( 122) = ( -0.1040962 0.1672731 0.1970185), wk = 0.0029851 k( 123) = ( -0.0971565 0.1561215 0.1838840), wk = 0.0029851 k( 124) = ( -0.0902167 0.1449700 0.1707494), wk = 0.0029851 k( 125) = ( -0.0832770 0.1338184 0.1576148), wk = 0.0029851 k( 126) = ( -0.0763372 0.1226669 0.1444803), wk = 0.0029851 k( 127) = ( -0.0693975 0.1115154 0.1313457), wk = 0.0029851 k( 128) = ( -0.0624577 0.1003638 0.1182111), wk = 0.0029851 k( 129) = ( -0.0555180 0.0892123 0.1050766), wk = 0.0029851 k( 130) = ( -0.0485783 0.0780608 0.0919420), wk = 0.0029851 k( 131) = ( -0.0416385 0.0669092 0.0788074), wk = 0.0029851 k( 132) = ( -0.0346988 0.0557577 0.0656729), wk = 0.0029851 k( 133) = ( -0.0277590 0.0446062 0.0525383), wk = 0.0029851 k( 134) = ( -0.0208193 0.0334546 0.0394037), wk = 0.0029851 k( 135) = ( -0.0138795 0.0223031 0.0262691), wk = 0.0029851 k( 136) = ( -0.0069397 0.0111515 0.0131346), wk = 0.0029851 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 138) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 139) = ( 0.0156250 0.0097236 0.0000000), wk = 0.0029851 k( 140) = ( 0.0312500 0.0194473 0.0000000), wk = 0.0029851 k( 141) = ( 0.0468750 0.0291709 0.0000000), wk = 0.0029851 k( 142) = ( 0.0625000 0.0388946 0.0000000), wk = 0.0029851 k( 143) = ( 0.0781250 0.0486182 0.0000000), wk = 0.0029851 k( 144) = ( 0.0937500 0.0583419 0.0000000), wk = 0.0029851 k( 145) = ( 0.1093750 0.0680655 0.0000000), wk = 0.0029851 k( 146) = ( 0.1250000 0.0777892 0.0000000), wk = 0.0029851 k( 147) = ( 0.1406250 0.0875128 0.0000000), wk = 0.0029851 k( 148) = ( 0.1562500 0.0972364 0.0000000), wk = 0.0029851 k( 149) = ( 0.1718750 0.1069601 0.0000000), wk = 0.0029851 k( 150) = ( 0.1875000 0.1166837 0.0000000), wk = 0.0029851 k( 151) = ( 0.2031250 0.1264074 0.0000000), wk = 0.0029851 k( 152) = ( 0.2187500 0.1361310 0.0000000), wk = 0.0029851 k( 153) = ( 0.2343750 0.1458547 0.0000000), wk = 0.0029851 k( 154) = ( 0.2500000 0.1555783 0.0000000), wk = 0.0029851 k( 155) = ( 0.2656250 0.1653020 0.0000000), wk = 0.0029851 k( 156) = ( 0.2812500 0.1750256 0.0000000), wk = 0.0029851 k( 157) = ( 0.2968750 0.1847493 0.0000000), wk = 0.0029851 k( 158) = ( 0.3125000 0.1944729 0.0000000), wk = 0.0029851 k( 159) = ( 0.3281250 0.2041965 0.0000000), wk = 0.0029851 k( 160) = ( 0.3437500 0.2139202 0.0000000), wk = 0.0029851 k( 161) = ( 0.3593750 0.2236438 0.0000000), wk = 0.0029851 k( 162) = ( 0.3750000 0.2333675 0.0000000), wk = 0.0029851 k( 163) = ( 0.3906250 0.2430911 0.0000000), wk = 0.0029851 k( 164) = ( 0.4062500 0.2528148 0.0000000), wk = 0.0029851 k( 165) = ( 0.4218750 0.2625384 0.0000000), wk = 0.0029851 k( 166) = ( 0.4375000 0.2722621 0.0000000), wk = 0.0029851 k( 167) = ( 0.4531250 0.2819857 0.0000000), wk = 0.0029851 k( 168) = ( 0.4687500 0.2917093 0.0000000), wk = 0.0029851 k( 169) = ( 0.4843750 0.3014330 0.0000000), wk = 0.0029851 k( 170) = ( 0.5000000 0.3111566 0.0000000), wk = 0.0029851 k( 171) = ( 0.5000000 0.3111566 0.0000000), wk = 0.0029851 k( 172) = ( 0.4930486 0.3223269 0.0131566), wk = 0.0029851 k( 173) = ( 0.4860972 0.3334972 0.0263133), wk = 0.0029851 k( 174) = ( 0.4791458 0.3446674 0.0394699), wk = 0.0029851 k( 175) = ( 0.4721944 0.3558377 0.0526265), wk = 0.0029851 k( 176) = ( 0.4652430 0.3670080 0.0657832), wk = 0.0029851 k( 177) = ( 0.4582916 0.3781782 0.0789398), wk = 0.0029851 k( 178) = ( 0.4513402 0.3893485 0.0920964), wk = 0.0029851 k( 179) = ( 0.4443887 0.4005188 0.1052531), wk = 0.0029851 k( 180) = ( 0.4374374 0.4116890 0.1184097), wk = 0.0029851 k( 181) = ( 0.4304859 0.4228593 0.1315663), wk = 0.0029851 k( 182) = ( 0.4235345 0.4340296 0.1447229), wk = 0.0029851 k( 183) = ( 0.4165831 0.4451998 0.1578796), wk = 0.0029851 k( 184) = ( 0.4096317 0.4563701 0.1710362), wk = 0.0029851 k( 185) = ( 0.4026803 0.4675404 0.1841928), wk = 0.0029851 k( 186) = ( 0.3957289 0.4787107 0.1973495), wk = 0.0029851 k( 187) = ( 0.3887775 0.4898809 0.2105061), wk = 0.0029851 k( 188) = ( 0.3818261 0.5010512 0.2236627), wk = 0.0029851 k( 189) = ( 0.3748747 0.5122215 0.2368194), wk = 0.0029851 k( 190) = ( 0.3679233 0.5233917 0.2499760), wk = 0.0029851 k( 191) = ( 0.3609719 0.5345620 0.2631326), wk = 0.0029851 k( 192) = ( 0.3540205 0.5457323 0.2762893), wk = 0.0029851 k( 193) = ( 0.3470691 0.5569025 0.2894459), wk = 0.0029851 k( 194) = ( 0.3401177 0.5680728 0.3026025), wk = 0.0029851 k( 195) = ( 0.3331662 0.5792431 0.3157592), wk = 0.0029851 k( 196) = ( 0.3262149 0.5904133 0.3289158), wk = 0.0029851 k( 197) = ( 0.3192634 0.6015836 0.3420724), wk = 0.0029851 k( 198) = ( 0.3123120 0.6127539 0.3552290), wk = 0.0029851 k( 199) = ( 0.3053606 0.6239241 0.3683857), wk = 0.0029851 k( 200) = ( 0.2984092 0.6350944 0.3815423), wk = 0.0029851 k( 201) = ( 0.2984092 0.6350944 0.3815423), wk = 0.0029851 k( 202) = ( 0.2818309 0.6307728 0.3866324), wk = 0.0029851 k( 203) = ( 0.2652526 0.6264512 0.3917225), wk = 0.0029851 k( 204) = ( 0.2486743 0.6221295 0.3968126), wk = 0.0029851 k( 205) = ( 0.2320961 0.6178079 0.4019028), wk = 0.0029851 k( 206) = ( 0.2155178 0.6134863 0.4069929), wk = 0.0029851 k( 207) = ( 0.1989395 0.6091647 0.4120830), wk = 0.0029851 k( 208) = ( 0.1823612 0.6048431 0.4171731), wk = 0.0029851 k( 209) = ( 0.1657829 0.6005215 0.4222632), wk = 0.0029851 k( 210) = ( 0.1492046 0.5961998 0.4273533), wk = 0.0029851 k( 211) = ( 0.1326263 0.5918782 0.4324435), wk = 0.0029851 k( 212) = ( 0.1160480 0.5875566 0.4375336), wk = 0.0029851 k( 213) = ( 0.0994697 0.5832350 0.4426237), wk = 0.0029851 k( 214) = ( 0.0828915 0.5789134 0.4477138), wk = 0.0029851 k( 215) = ( 0.0663132 0.5745917 0.4528039), wk = 0.0029851 k( 216) = ( 0.0497349 0.5702701 0.4578940), wk = 0.0029851 k( 217) = ( 0.0331566 0.5659485 0.4629842), wk = 0.0029851 k( 218) = ( 0.0165783 0.5616269 0.4680743), wk = 0.0029851 k( 219) = ( 0.0000000 0.5573053 0.4731644), wk = 0.0029851 k( 220) = ( 0.0000000 0.5573053 0.4731644), wk = 0.0029851 k( 221) = ( 0.0069444 0.5461462 0.4863078), wk = 0.0029851 k( 222) = ( 0.0138889 0.5349871 0.4994513), wk = 0.0029851 k( 223) = ( 0.0208333 0.5238280 0.5125947), wk = 0.0029851 k( 224) = ( 0.0277778 0.5126689 0.5257382), wk = 0.0029851 k( 225) = ( 0.0347222 0.5015098 0.5388817), wk = 0.0029851 k( 226) = ( 0.0416667 0.4903508 0.5520251), wk = 0.0029851 k( 227) = ( 0.0486111 0.4791917 0.5651686), wk = 0.0029851 k( 228) = ( 0.0555556 0.4680326 0.5783120), wk = 0.0029851 k( 229) = ( 0.0625000 0.4568735 0.5914555), wk = 0.0029851 k( 230) = ( 0.0694444 0.4457144 0.6045989), wk = 0.0029851 k( 231) = ( 0.0763889 0.4345554 0.6177424), wk = 0.0029851 k( 232) = ( 0.0833333 0.4233963 0.6308858), wk = 0.0029851 k( 233) = ( 0.0902778 0.4122372 0.6440293), wk = 0.0029851 k( 234) = ( 0.0972222 0.4010781 0.6571727), wk = 0.0029851 k( 235) = ( 0.1041667 0.3899190 0.6703162), wk = 0.0029851 k( 236) = ( 0.1111111 0.3787599 0.6834597), wk = 0.0029851 k( 237) = ( 0.1180556 0.3676009 0.6966031), wk = 0.0029851 k( 238) = ( 0.1250000 0.3564418 0.7097466), wk = 0.0029851 k( 239) = ( 0.1319444 0.3452827 0.7228900), wk = 0.0029851 k( 240) = ( 0.1388889 0.3341236 0.7360335), wk = 0.0029851 k( 241) = ( 0.1458333 0.3229645 0.7491769), wk = 0.0029851 k( 242) = ( 0.1527778 0.3118055 0.7623204), wk = 0.0029851 k( 243) = ( 0.1597222 0.3006464 0.7754638), wk = 0.0029851 k( 244) = ( 0.1666667 0.2894873 0.7886073), wk = 0.0029851 k( 245) = ( 0.1736111 0.2783282 0.8017508), wk = 0.0029851 k( 246) = ( 0.1805556 0.2671691 0.8148942), wk = 0.0029851 k( 247) = ( 0.1875000 0.2560100 0.8280377), wk = 0.0029851 k( 248) = ( 0.1944444 0.2448510 0.8411811), wk = 0.0029851 k( 249) = ( 0.2013889 0.2336919 0.8543246), wk = 0.0029851 k( 250) = ( 0.2083333 0.2225328 0.8674680), wk = 0.0029851 k( 251) = ( 0.2152778 0.2113737 0.8806115), wk = 0.0029851 k( 252) = ( 0.2222222 0.2002146 0.8937549), wk = 0.0029851 k( 253) = ( 0.2291667 0.1890556 0.9068984), wk = 0.0029851 k( 254) = ( 0.2361111 0.1778965 0.9200418), wk = 0.0029851 k( 255) = ( 0.2430556 0.1667374 0.9331853), wk = 0.0029851 k( 256) = ( 0.2500000 0.1555783 0.9463288), wk = 0.0029851 k( 257) = ( 0.2500000 0.1555783 0.9463288), wk = 0.0029851 k( 258) = ( 0.2631579 0.1637666 0.9366843), wk = 0.0029851 k( 259) = ( 0.2763158 0.1719550 0.9270399), wk = 0.0029851 k( 260) = ( 0.2894737 0.1801433 0.9173955), wk = 0.0029851 k( 261) = ( 0.3026316 0.1883316 0.9077510), wk = 0.0029851 k( 262) = ( 0.3157895 0.1965200 0.8981066), wk = 0.0029851 k( 263) = ( 0.3289474 0.2047083 0.8884622), wk = 0.0029851 k( 264) = ( 0.3421053 0.2128966 0.8788177), wk = 0.0029851 k( 265) = ( 0.3552632 0.2210850 0.8691733), wk = 0.0029851 k( 266) = ( 0.3684211 0.2292733 0.8595289), wk = 0.0029851 k( 267) = ( 0.3815789 0.2374616 0.8498845), wk = 0.0029851 k( 268) = ( 0.3947368 0.2456500 0.8402400), wk = 0.0029851 k( 269) = ( 0.4078947 0.2538383 0.8305956), wk = 0.0029851 k( 270) = ( 0.4210526 0.2620266 0.8209512), wk = 0.0029851 k( 271) = ( 0.4342105 0.2702150 0.8113067), wk = 0.0029851 k( 272) = ( 0.4473684 0.2784033 0.8016623), wk = 0.0029851 k( 273) = ( 0.4605263 0.2865916 0.7920179), wk = 0.0029851 k( 274) = ( 0.4736842 0.2947800 0.7823735), wk = 0.0029851 k( 275) = ( 0.4868421 0.3029683 0.7727290), wk = 0.0029851 k( 276) = ( 0.5000000 0.3111566 0.7630846), wk = 0.0029851 k( 277) = ( 0.5000000 0.3111566 0.7630846), wk = 0.0029851 k( 278) = ( 0.5000000 0.3111566 0.7444728), wk = 0.0029851 k( 279) = ( 0.5000000 0.3111566 0.7258610), wk = 0.0029851 k( 280) = ( 0.5000000 0.3111566 0.7072491), wk = 0.0029851 k( 281) = ( 0.5000000 0.3111566 0.6886373), wk = 0.0029851 k( 282) = ( 0.5000000 0.3111566 0.6700255), wk = 0.0029851 k( 283) = ( 0.5000000 0.3111566 0.6514137), wk = 0.0029851 k( 284) = ( 0.5000000 0.3111566 0.6328019), wk = 0.0029851 k( 285) = ( 0.5000000 0.3111566 0.6141900), wk = 0.0029851 k( 286) = ( 0.5000000 0.3111566 0.5955782), wk = 0.0029851 k( 287) = ( 0.5000000 0.3111566 0.5769664), wk = 0.0029851 k( 288) = ( 0.5000000 0.3111566 0.5583546), wk = 0.0029851 k( 289) = ( 0.5000000 0.3111566 0.5397428), wk = 0.0029851 k( 290) = ( 0.5000000 0.3111566 0.5211309), wk = 0.0029851 k( 291) = ( 0.5000000 0.3111566 0.5025191), wk = 0.0029851 k( 292) = ( 0.5000000 0.3111566 0.4839073), wk = 0.0029851 k( 293) = ( 0.5000000 0.3111566 0.4652955), wk = 0.0029851 k( 294) = ( 0.5000000 0.3111566 0.4466837), wk = 0.0029851 k( 295) = ( 0.5000000 0.3111566 0.4280719), wk = 0.0029851 k( 296) = ( 0.5000000 0.3111566 0.4094600), wk = 0.0029851 k( 297) = ( 0.5000000 0.3111566 0.3908482), wk = 0.0029851 k( 298) = ( 0.5000000 0.3111566 0.3722364), wk = 0.0029851 k( 299) = ( 0.5000000 0.3111566 0.3536246), wk = 0.0029851 k( 300) = ( 0.5000000 0.3111566 0.3350127), wk = 0.0029851 k( 301) = ( 0.5000000 0.3111566 0.3164009), wk = 0.0029851 k( 302) = ( 0.5000000 0.3111566 0.2977891), wk = 0.0029851 k( 303) = ( 0.5000000 0.3111566 0.2791773), wk = 0.0029851 k( 304) = ( 0.5000000 0.3111566 0.2605655), wk = 0.0029851 k( 305) = ( 0.5000000 0.3111566 0.2419536), wk = 0.0029851 k( 306) = ( 0.5000000 0.3111566 0.2233418), wk = 0.0029851 k( 307) = ( 0.5000000 0.3111566 0.2047300), wk = 0.0029851 k( 308) = ( 0.5000000 0.3111566 0.1861182), wk = 0.0029851 k( 309) = ( 0.5000000 0.3111566 0.1675064), wk = 0.0029851 k( 310) = ( 0.5000000 0.3111566 0.1488946), wk = 0.0029851 k( 311) = ( 0.5000000 0.3111566 0.1302827), wk = 0.0029851 k( 312) = ( 0.5000000 0.3111566 0.1116709), wk = 0.0029851 k( 313) = ( 0.5000000 0.3111566 0.0930591), wk = 0.0029851 k( 314) = ( 0.5000000 0.3111566 0.0744473), wk = 0.0029851 k( 315) = ( 0.5000000 0.3111566 0.0558355), wk = 0.0029851 k( 316) = ( 0.5000000 0.3111566 0.0372236), wk = 0.0029851 k( 317) = ( 0.5000000 0.3111566 0.0186118), wk = 0.0029851 k( 318) = ( 0.5000000 0.3111566 0.0000000), wk = 0.0029851 k( 319) = ( 0.0000000 0.0000000 0.9463288), wk = 0.0029851 k( 320) = ( 0.0156250 0.0097236 0.9463288), wk = 0.0029851 k( 321) = ( 0.0312500 0.0194473 0.9463288), wk = 0.0029851 k( 322) = ( 0.0468750 0.0291709 0.9463288), wk = 0.0029851 k( 323) = ( 0.0625000 0.0388946 0.9463288), wk = 0.0029851 k( 324) = ( 0.0781250 0.0486182 0.9463288), wk = 0.0029851 k( 325) = ( 0.0937500 0.0583419 0.9463288), wk = 0.0029851 k( 326) = ( 0.1093750 0.0680655 0.9463288), wk = 0.0029851 k( 327) = ( 0.1250000 0.0777892 0.9463288), wk = 0.0029851 k( 328) = ( 0.1406250 0.0875128 0.9463288), wk = 0.0029851 k( 329) = ( 0.1562500 0.0972364 0.9463288), wk = 0.0029851 k( 330) = ( 0.1718750 0.1069601 0.9463288), wk = 0.0029851 k( 331) = ( 0.1875000 0.1166837 0.9463288), wk = 0.0029851 k( 332) = ( 0.2031250 0.1264074 0.9463288), wk = 0.0029851 k( 333) = ( 0.2187500 0.1361310 0.9463288), wk = 0.0029851 k( 334) = ( 0.2343750 0.1458547 0.9463288), wk = 0.0029851 k( 335) = ( 0.2500000 0.1555783 0.9463288), wk = 0.0029851 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 2) = ( 0.0000000 0.0000000 0.0098039), wk = 0.0029851 k( 3) = ( 0.0000000 0.0000000 0.0196078), wk = 0.0029851 k( 4) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0029851 k( 5) = ( 0.0000000 0.0000000 0.0392157), wk = 0.0029851 k( 6) = ( 0.0000000 0.0000000 0.0490196), wk = 0.0029851 k( 7) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0029851 k( 8) = ( 0.0000000 0.0000000 0.0686274), wk = 0.0029851 k( 9) = ( 0.0000000 0.0000000 0.0784314), wk = 0.0029851 k( 10) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0029851 k( 11) = ( 0.0000000 0.0000000 0.0980392), wk = 0.0029851 k( 12) = ( 0.0000000 0.0000000 0.1078431), wk = 0.0029851 k( 13) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0029851 k( 14) = ( 0.0000000 0.0000000 0.1274510), wk = 0.0029851 k( 15) = ( 0.0000000 0.0000000 0.1372549), wk = 0.0029851 k( 16) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0029851 k( 17) = ( 0.0000000 0.0000000 0.1568627), wk = 0.0029851 k( 18) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0029851 k( 19) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0029851 k( 20) = ( 0.0000000 0.0000000 0.1862745), wk = 0.0029851 k( 21) = ( 0.0000000 0.0000000 0.1960784), wk = 0.0029851 k( 22) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0029851 k( 23) = ( 0.0000000 0.0000000 0.2156863), wk = 0.0029851 k( 24) = ( 0.0000000 0.0000000 0.2254902), wk = 0.0029851 k( 25) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0029851 k( 26) = ( 0.0000000 0.0000000 0.2450980), wk = 0.0029851 k( 27) = ( 0.0000000 0.0000000 0.2549020), wk = 0.0029851 k( 28) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0029851 k( 29) = ( 0.0000000 0.0000000 0.2745098), wk = 0.0029851 k( 30) = ( 0.0000000 0.0000000 0.2843137), wk = 0.0029851 k( 31) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0029851 k( 32) = ( 0.0000000 0.0000000 0.3039216), wk = 0.0029851 k( 33) = ( 0.0000000 0.0000000 0.3137255), wk = 0.0029851 k( 34) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0029851 k( 35) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0029851 k( 36) = ( 0.0000000 0.0000000 0.3431373), wk = 0.0029851 k( 37) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0029851 k( 38) = ( 0.0000000 0.0000000 0.3627451), wk = 0.0029851 k( 39) = ( 0.0000000 0.0000000 0.3725490), wk = 0.0029851 k( 40) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0029851 k( 41) = ( 0.0000000 0.0000000 0.3921569), wk = 0.0029851 k( 42) = ( 0.0000000 0.0000000 0.4019608), wk = 0.0029851 k( 43) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0029851 k( 44) = ( 0.0000000 0.0000000 0.4215686), wk = 0.0029851 k( 45) = ( 0.0000000 0.0000000 0.4313726), wk = 0.0029851 k( 46) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0029851 k( 47) = ( 0.0000000 0.0000000 0.4509804), wk = 0.0029851 k( 48) = ( 0.0000000 0.0000000 0.4607843), wk = 0.0029851 k( 49) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0029851 k( 50) = ( 0.0000000 0.0000000 0.4803922), wk = 0.0029851 k( 51) = ( 0.0000000 0.0000000 0.4901961), wk = 0.0029851 k( 52) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029851 k( 53) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029851 k( 54) = ( -0.0096818 0.0096818 0.5000000), wk = 0.0029851 k( 55) = ( -0.0193637 0.0193637 0.5000000), wk = 0.0029851 k( 56) = ( -0.0290455 0.0290455 0.5000000), wk = 0.0029851 k( 57) = ( -0.0387274 0.0387274 0.5000000), wk = 0.0029851 k( 58) = ( -0.0484092 0.0484092 0.5000000), wk = 0.0029851 k( 59) = ( -0.0580911 0.0580911 0.5000000), wk = 0.0029851 k( 60) = ( -0.0677729 0.0677729 0.5000000), wk = 0.0029851 k( 61) = ( -0.0774548 0.0774548 0.5000000), wk = 0.0029851 k( 62) = ( -0.0871366 0.0871366 0.5000000), wk = 0.0029851 k( 63) = ( -0.0968185 0.0968185 0.5000000), wk = 0.0029851 k( 64) = ( -0.0968185 0.0968185 0.5000000), wk = 0.0029851 k( 65) = ( -0.1037699 0.1037699 0.4930486), wk = 0.0029851 k( 66) = ( -0.1107213 0.1107213 0.4860972), wk = 0.0029851 k( 67) = ( -0.1176727 0.1176727 0.4791458), wk = 0.0029851 k( 68) = ( -0.1246241 0.1246241 0.4721944), wk = 0.0029851 k( 69) = ( -0.1315755 0.1315755 0.4652430), wk = 0.0029851 k( 70) = ( -0.1385269 0.1385269 0.4582916), wk = 0.0029851 k( 71) = ( -0.1454783 0.1454783 0.4513402), wk = 0.0029851 k( 72) = ( -0.1524297 0.1524297 0.4443888), wk = 0.0029851 k( 73) = ( -0.1593811 0.1593811 0.4374374), wk = 0.0029851 k( 74) = ( -0.1663325 0.1663325 0.4304859), wk = 0.0029851 k( 75) = ( -0.1732839 0.1732839 0.4235345), wk = 0.0029851 k( 76) = ( -0.1802353 0.1802353 0.4165831), wk = 0.0029851 k( 77) = ( -0.1871867 0.1871867 0.4096317), wk = 0.0029851 k( 78) = ( -0.1941381 0.1941381 0.4026803), wk = 0.0029851 k( 79) = ( -0.2010895 0.2010895 0.3957289), wk = 0.0029851 k( 80) = ( -0.2080410 0.2080409 0.3887775), wk = 0.0029851 k( 81) = ( -0.2149923 0.2149923 0.3818261), wk = 0.0029851 k( 82) = ( -0.2219438 0.2219438 0.3748747), wk = 0.0029851 k( 83) = ( -0.2288952 0.2288952 0.3679233), wk = 0.0029851 k( 84) = ( -0.2358466 0.2358466 0.3609719), wk = 0.0029851 k( 85) = ( -0.2427980 0.2427980 0.3540205), wk = 0.0029851 k( 86) = ( -0.2497494 0.2497494 0.3470691), wk = 0.0029851 k( 87) = ( -0.2567008 0.2567008 0.3401177), wk = 0.0029851 k( 88) = ( -0.2636522 0.2636522 0.3331663), wk = 0.0029851 k( 89) = ( -0.2706036 0.2706036 0.3262148), wk = 0.0029851 k( 90) = ( -0.2775550 0.2775550 0.3192634), wk = 0.0029851 k( 91) = ( -0.2845064 0.2845064 0.3123120), wk = 0.0029851 k( 92) = ( -0.2914578 0.2914578 0.3053606), wk = 0.0029851 k( 93) = ( -0.2984092 0.2984092 0.2984092), wk = 0.0029851 k( 94) = ( -0.2984092 0.2984092 0.2984092), wk = 0.0029851 k( 95) = ( -0.2914695 0.2914695 0.2914695), wk = 0.0029851 k( 96) = ( -0.2845297 0.2845297 0.2845297), wk = 0.0029851 k( 97) = ( -0.2775900 0.2775900 0.2775900), wk = 0.0029851 k( 98) = ( -0.2706502 0.2706502 0.2706502), wk = 0.0029851 k( 99) = ( -0.2637105 0.2637105 0.2637105), wk = 0.0029851 k( 100) = ( -0.2567707 0.2567707 0.2567707), wk = 0.0029851 k( 101) = ( -0.2498310 0.2498310 0.2498310), wk = 0.0029851 k( 102) = ( -0.2428912 0.2428912 0.2428912), wk = 0.0029851 k( 103) = ( -0.2359515 0.2359515 0.2359515), wk = 0.0029851 k( 104) = ( -0.2290117 0.2290117 0.2290117), wk = 0.0029851 k( 105) = ( -0.2220720 0.2220720 0.2220720), wk = 0.0029851 k( 106) = ( -0.2151322 0.2151322 0.2151322), wk = 0.0029851 k( 107) = ( -0.2081925 0.2081925 0.2081925), wk = 0.0029851 k( 108) = ( -0.2012527 0.2012527 0.2012527), wk = 0.0029851 k( 109) = ( -0.1943130 0.1943130 0.1943130), wk = 0.0029851 k( 110) = ( -0.1873732 0.1873732 0.1873732), wk = 0.0029851 k( 111) = ( -0.1804335 0.1804335 0.1804335), wk = 0.0029851 k( 112) = ( -0.1734937 0.1734937 0.1734937), wk = 0.0029851 k( 113) = ( -0.1665540 0.1665540 0.1665540), wk = 0.0029851 k( 114) = ( -0.1596142 0.1596142 0.1596142), wk = 0.0029851 k( 115) = ( -0.1526745 0.1526745 0.1526745), wk = 0.0029851 k( 116) = ( -0.1457347 0.1457347 0.1457347), wk = 0.0029851 k( 117) = ( -0.1387950 0.1387950 0.1387950), wk = 0.0029851 k( 118) = ( -0.1318552 0.1318552 0.1318552), wk = 0.0029851 k( 119) = ( -0.1249155 0.1249155 0.1249155), wk = 0.0029851 k( 120) = ( -0.1179757 0.1179757 0.1179757), wk = 0.0029851 k( 121) = ( -0.1110360 0.1110360 0.1110360), wk = 0.0029851 k( 122) = ( -0.1040962 0.1040962 0.1040962), wk = 0.0029851 k( 123) = ( -0.0971565 0.0971565 0.0971565), wk = 0.0029851 k( 124) = ( -0.0902167 0.0902167 0.0902167), wk = 0.0029851 k( 125) = ( -0.0832770 0.0832770 0.0832770), wk = 0.0029851 k( 126) = ( -0.0763372 0.0763372 0.0763372), wk = 0.0029851 k( 127) = ( -0.0693975 0.0693975 0.0693975), wk = 0.0029851 k( 128) = ( -0.0624577 0.0624577 0.0624577), wk = 0.0029851 k( 129) = ( -0.0555180 0.0555180 0.0555180), wk = 0.0029851 k( 130) = ( -0.0485783 0.0485782 0.0485782), wk = 0.0029851 k( 131) = ( -0.0416385 0.0416385 0.0416385), wk = 0.0029851 k( 132) = ( -0.0346988 0.0346987 0.0346988), wk = 0.0029851 k( 133) = ( -0.0277590 0.0277590 0.0277590), wk = 0.0029851 k( 134) = ( -0.0208193 0.0208192 0.0208193), wk = 0.0029851 k( 135) = ( -0.0138795 0.0138795 0.0138795), wk = 0.0029851 k( 136) = ( -0.0069397 0.0069397 0.0069398), wk = 0.0029851 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 138) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 139) = ( 0.0156250 0.0156250 -0.0156250), wk = 0.0029851 k( 140) = ( 0.0312500 0.0312500 -0.0312500), wk = 0.0029851 k( 141) = ( 0.0468750 0.0468750 -0.0468750), wk = 0.0029851 k( 142) = ( 0.0625000 0.0625000 -0.0625000), wk = 0.0029851 k( 143) = ( 0.0781250 0.0781250 -0.0781250), wk = 0.0029851 k( 144) = ( 0.0937500 0.0937500 -0.0937500), wk = 0.0029851 k( 145) = ( 0.1093750 0.1093750 -0.1093750), wk = 0.0029851 k( 146) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0029851 k( 147) = ( 0.1406250 0.1406250 -0.1406250), wk = 0.0029851 k( 148) = ( 0.1562500 0.1562500 -0.1562500), wk = 0.0029851 k( 149) = ( 0.1718750 0.1718750 -0.1718750), wk = 0.0029851 k( 150) = ( 0.1875000 0.1875000 -0.1875000), wk = 0.0029851 k( 151) = ( 0.2031250 0.2031250 -0.2031250), wk = 0.0029851 k( 152) = ( 0.2187500 0.2187500 -0.2187500), wk = 0.0029851 k( 153) = ( 0.2343750 0.2343750 -0.2343750), wk = 0.0029851 k( 154) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0029851 k( 155) = ( 0.2656250 0.2656250 -0.2656250), wk = 0.0029851 k( 156) = ( 0.2812500 0.2812500 -0.2812500), wk = 0.0029851 k( 157) = ( 0.2968750 0.2968750 -0.2968750), wk = 0.0029851 k( 158) = ( 0.3125000 0.3125000 -0.3125000), wk = 0.0029851 k( 159) = ( 0.3281250 0.3281250 -0.3281250), wk = 0.0029851 k( 160) = ( 0.3437500 0.3437500 -0.3437500), wk = 0.0029851 k( 161) = ( 0.3593750 0.3593750 -0.3593750), wk = 0.0029851 k( 162) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0029851 k( 163) = ( 0.3906250 0.3906250 -0.3906250), wk = 0.0029851 k( 164) = ( 0.4062500 0.4062500 -0.4062500), wk = 0.0029851 k( 165) = ( 0.4218750 0.4218750 -0.4218750), wk = 0.0029851 k( 166) = ( 0.4375000 0.4375000 -0.4375000), wk = 0.0029851 k( 167) = ( 0.4531250 0.4531250 -0.4531250), wk = 0.0029851 k( 168) = ( 0.4687500 0.4687500 -0.4687500), wk = 0.0029851 k( 169) = ( 0.4843750 0.4843750 -0.4843750), wk = 0.0029851 k( 170) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029851 k( 171) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029851 k( 172) = ( 0.4930486 0.5069514 -0.4930486), wk = 0.0029851 k( 173) = ( 0.4860972 0.5139028 -0.4860972), wk = 0.0029851 k( 174) = ( 0.4791458 0.5208542 -0.4791458), wk = 0.0029851 k( 175) = ( 0.4721944 0.5278056 -0.4721944), wk = 0.0029851 k( 176) = ( 0.4652430 0.5347570 -0.4652430), wk = 0.0029851 k( 177) = ( 0.4582916 0.5417084 -0.4582916), wk = 0.0029851 k( 178) = ( 0.4513402 0.5486598 -0.4513402), wk = 0.0029851 k( 179) = ( 0.4443887 0.5556113 -0.4443888), wk = 0.0029851 k( 180) = ( 0.4374374 0.5625627 -0.4374374), wk = 0.0029851 k( 181) = ( 0.4304859 0.5695141 -0.4304859), wk = 0.0029851 k( 182) = ( 0.4235345 0.5764655 -0.4235345), wk = 0.0029851 k( 183) = ( 0.4165831 0.5834169 -0.4165831), wk = 0.0029851 k( 184) = ( 0.4096317 0.5903683 -0.4096317), wk = 0.0029851 k( 185) = ( 0.4026803 0.5973197 -0.4026803), wk = 0.0029851 k( 186) = ( 0.3957289 0.6042711 -0.3957289), wk = 0.0029851 k( 187) = ( 0.3887775 0.6112225 -0.3887775), wk = 0.0029851 k( 188) = ( 0.3818261 0.6181739 -0.3818261), wk = 0.0029851 k( 189) = ( 0.3748747 0.6251253 -0.3748747), wk = 0.0029851 k( 190) = ( 0.3679233 0.6320767 -0.3679233), wk = 0.0029851 k( 191) = ( 0.3609719 0.6390281 -0.3609719), wk = 0.0029851 k( 192) = ( 0.3540205 0.6459795 -0.3540205), wk = 0.0029851 k( 193) = ( 0.3470691 0.6529309 -0.3470691), wk = 0.0029851 k( 194) = ( 0.3401177 0.6598823 -0.3401177), wk = 0.0029851 k( 195) = ( 0.3331662 0.6668338 -0.3331662), wk = 0.0029851 k( 196) = ( 0.3262149 0.6737852 -0.3262148), wk = 0.0029851 k( 197) = ( 0.3192634 0.6807366 -0.3192634), wk = 0.0029851 k( 198) = ( 0.3123120 0.6876880 -0.3123120), wk = 0.0029851 k( 199) = ( 0.3053606 0.6946394 -0.3053606), wk = 0.0029851 k( 200) = ( 0.2984092 0.7015908 -0.2984092), wk = 0.0029851 k( 201) = ( 0.2984092 0.7015908 -0.2984092), wk = 0.0029851 k( 202) = ( 0.2818309 0.6903913 -0.2818309), wk = 0.0029851 k( 203) = ( 0.2652526 0.6791918 -0.2652526), wk = 0.0029851 k( 204) = ( 0.2486743 0.6679923 -0.2486744), wk = 0.0029851 k( 205) = ( 0.2320961 0.6567928 -0.2320961), wk = 0.0029851 k( 206) = ( 0.2155178 0.6455933 -0.2155178), wk = 0.0029851 k( 207) = ( 0.1989395 0.6343939 -0.1989395), wk = 0.0029851 k( 208) = ( 0.1823612 0.6231944 -0.1823612), wk = 0.0029851 k( 209) = ( 0.1657829 0.6119949 -0.1657829), wk = 0.0029851 k( 210) = ( 0.1492046 0.6007954 -0.1492046), wk = 0.0029851 k( 211) = ( 0.1326263 0.5895959 -0.1326263), wk = 0.0029851 k( 212) = ( 0.1160480 0.5783964 -0.1160480), wk = 0.0029851 k( 213) = ( 0.0994697 0.5671969 -0.0994697), wk = 0.0029851 k( 214) = ( 0.0828915 0.5559974 -0.0828915), wk = 0.0029851 k( 215) = ( 0.0663132 0.5447979 -0.0663132), wk = 0.0029851 k( 216) = ( 0.0497349 0.5335985 -0.0497349), wk = 0.0029851 k( 217) = ( 0.0331566 0.5223990 -0.0331566), wk = 0.0029851 k( 218) = ( 0.0165783 0.5111995 -0.0165783), wk = 0.0029851 k( 219) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029851 k( 220) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029851 k( 221) = ( 0.0069444 0.4930556 0.0069444), wk = 0.0029851 k( 222) = ( 0.0138889 0.4861111 0.0138889), wk = 0.0029851 k( 223) = ( 0.0208333 0.4791667 0.0208333), wk = 0.0029851 k( 224) = ( 0.0277778 0.4722222 0.0277778), wk = 0.0029851 k( 225) = ( 0.0347222 0.4652778 0.0347222), wk = 0.0029851 k( 226) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0029851 k( 227) = ( 0.0486111 0.4513889 0.0486111), wk = 0.0029851 k( 228) = ( 0.0555556 0.4444444 0.0555556), wk = 0.0029851 k( 229) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0029851 k( 230) = ( 0.0694444 0.4305556 0.0694444), wk = 0.0029851 k( 231) = ( 0.0763889 0.4236111 0.0763889), wk = 0.0029851 k( 232) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0029851 k( 233) = ( 0.0902778 0.4097222 0.0902778), wk = 0.0029851 k( 234) = ( 0.0972222 0.4027778 0.0972222), wk = 0.0029851 k( 235) = ( 0.1041667 0.3958333 0.1041667), wk = 0.0029851 k( 236) = ( 0.1111111 0.3888889 0.1111111), wk = 0.0029851 k( 237) = ( 0.1180556 0.3819444 0.1180556), wk = 0.0029851 k( 238) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0029851 k( 239) = ( 0.1319444 0.3680556 0.1319444), wk = 0.0029851 k( 240) = ( 0.1388889 0.3611111 0.1388889), wk = 0.0029851 k( 241) = ( 0.1458333 0.3541667 0.1458333), wk = 0.0029851 k( 242) = ( 0.1527778 0.3472222 0.1527778), wk = 0.0029851 k( 243) = ( 0.1597222 0.3402778 0.1597222), wk = 0.0029851 k( 244) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0029851 k( 245) = ( 0.1736111 0.3263889 0.1736111), wk = 0.0029851 k( 246) = ( 0.1805556 0.3194444 0.1805556), wk = 0.0029851 k( 247) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0029851 k( 248) = ( 0.1944444 0.3055556 0.1944444), wk = 0.0029851 k( 249) = ( 0.2013889 0.2986111 0.2013889), wk = 0.0029851 k( 250) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0029851 k( 251) = ( 0.2152778 0.2847222 0.2152778), wk = 0.0029851 k( 252) = ( 0.2222222 0.2777778 0.2222222), wk = 0.0029851 k( 253) = ( 0.2291667 0.2708333 0.2291667), wk = 0.0029851 k( 254) = ( 0.2361111 0.2638889 0.2361111), wk = 0.0029851 k( 255) = ( 0.2430556 0.2569444 0.2430556), wk = 0.0029851 k( 256) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029851 k( 257) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029851 k( 258) = ( 0.2631579 0.2631579 0.2317464), wk = 0.0029851 k( 259) = ( 0.2763158 0.2763158 0.2134928), wk = 0.0029851 k( 260) = ( 0.2894737 0.2894737 0.1952392), wk = 0.0029851 k( 261) = ( 0.3026316 0.3026316 0.1769856), wk = 0.0029851 k( 262) = ( 0.3157895 0.3157895 0.1587320), wk = 0.0029851 k( 263) = ( 0.3289474 0.3289474 0.1404784), wk = 0.0029851 k( 264) = ( 0.3421053 0.3421053 0.1222248), wk = 0.0029851 k( 265) = ( 0.3552632 0.3552632 0.1039712), wk = 0.0029851 k( 266) = ( 0.3684211 0.3684211 0.0857176), wk = 0.0029851 k( 267) = ( 0.3815789 0.3815789 0.0674640), wk = 0.0029851 k( 268) = ( 0.3947368 0.3947368 0.0492104), wk = 0.0029851 k( 269) = ( 0.4078947 0.4078947 0.0309568), wk = 0.0029851 k( 270) = ( 0.4210526 0.4210526 0.0127032), wk = 0.0029851 k( 271) = ( 0.4342105 0.4342105 -0.0055504), wk = 0.0029851 k( 272) = ( 0.4473684 0.4473684 -0.0238040), wk = 0.0029851 k( 273) = ( 0.4605263 0.4605263 -0.0420576), wk = 0.0029851 k( 274) = ( 0.4736842 0.4736842 -0.0603112), wk = 0.0029851 k( 275) = ( 0.4868421 0.4868421 -0.0785649), wk = 0.0029851 k( 276) = ( 0.5000000 0.5000000 -0.0968185), wk = 0.0029851 k( 277) = ( 0.5000000 0.5000000 -0.0968185), wk = 0.0029851 k( 278) = ( 0.5000000 0.5000000 -0.1066522), wk = 0.0029851 k( 279) = ( 0.5000000 0.5000000 -0.1164858), wk = 0.0029851 k( 280) = ( 0.5000000 0.5000000 -0.1263195), wk = 0.0029851 k( 281) = ( 0.5000000 0.5000000 -0.1361532), wk = 0.0029851 k( 282) = ( 0.5000000 0.5000000 -0.1459869), wk = 0.0029851 k( 283) = ( 0.5000000 0.5000000 -0.1558206), wk = 0.0029851 k( 284) = ( 0.5000000 0.5000000 -0.1656543), wk = 0.0029851 k( 285) = ( 0.5000000 0.5000000 -0.1754880), wk = 0.0029851 k( 286) = ( 0.5000000 0.5000000 -0.1853217), wk = 0.0029851 k( 287) = ( 0.5000000 0.5000000 -0.1951554), wk = 0.0029851 k( 288) = ( 0.5000000 0.5000000 -0.2049891), wk = 0.0029851 k( 289) = ( 0.5000000 0.5000000 -0.2148228), wk = 0.0029851 k( 290) = ( 0.5000000 0.5000000 -0.2246565), wk = 0.0029851 k( 291) = ( 0.5000000 0.5000000 -0.2344902), wk = 0.0029851 k( 292) = ( 0.5000000 0.5000000 -0.2443239), wk = 0.0029851 k( 293) = ( 0.5000000 0.5000000 -0.2541576), wk = 0.0029851 k( 294) = ( 0.5000000 0.5000000 -0.2639913), wk = 0.0029851 k( 295) = ( 0.5000000 0.5000000 -0.2738250), wk = 0.0029851 k( 296) = ( 0.5000000 0.5000000 -0.2836587), wk = 0.0029851 k( 297) = ( 0.5000000 0.5000000 -0.2934924), wk = 0.0029851 k( 298) = ( 0.5000000 0.5000000 -0.3033261), wk = 0.0029851 k( 299) = ( 0.5000000 0.5000000 -0.3131598), wk = 0.0029851 k( 300) = ( 0.5000000 0.5000000 -0.3229935), wk = 0.0029851 k( 301) = ( 0.5000000 0.5000000 -0.3328272), wk = 0.0029851 k( 302) = ( 0.5000000 0.5000000 -0.3426609), wk = 0.0029851 k( 303) = ( 0.5000000 0.5000000 -0.3524946), wk = 0.0029851 k( 304) = ( 0.5000000 0.5000000 -0.3623283), wk = 0.0029851 k( 305) = ( 0.5000000 0.5000000 -0.3721620), wk = 0.0029851 k( 306) = ( 0.5000000 0.5000000 -0.3819956), wk = 0.0029851 k( 307) = ( 0.5000000 0.5000000 -0.3918293), wk = 0.0029851 k( 308) = ( 0.5000000 0.5000000 -0.4016630), wk = 0.0029851 k( 309) = ( 0.5000000 0.5000000 -0.4114967), wk = 0.0029851 k( 310) = ( 0.5000000 0.5000000 -0.4213304), wk = 0.0029851 k( 311) = ( 0.5000000 0.5000000 -0.4311641), wk = 0.0029851 k( 312) = ( 0.5000000 0.5000000 -0.4409978), wk = 0.0029851 k( 313) = ( 0.5000000 0.5000000 -0.4508315), wk = 0.0029851 k( 314) = ( 0.5000000 0.5000000 -0.4606652), wk = 0.0029851 k( 315) = ( 0.5000000 0.5000000 -0.4704989), wk = 0.0029851 k( 316) = ( 0.5000000 0.5000000 -0.4803326), wk = 0.0029851 k( 317) = ( 0.5000000 0.5000000 -0.4901663), wk = 0.0029851 k( 318) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029851 k( 319) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029851 k( 320) = ( 0.0156250 0.0156250 0.4843750), wk = 0.0029851 k( 321) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0029851 k( 322) = ( 0.0468750 0.0468750 0.4531250), wk = 0.0029851 k( 323) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0029851 k( 324) = ( 0.0781250 0.0781250 0.4218750), wk = 0.0029851 k( 325) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0029851 k( 326) = ( 0.1093750 0.1093750 0.3906250), wk = 0.0029851 k( 327) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0029851 k( 328) = ( 0.1406250 0.1406250 0.3593750), wk = 0.0029851 k( 329) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0029851 k( 330) = ( 0.1718750 0.1718750 0.3281250), wk = 0.0029851 k( 331) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0029851 k( 332) = ( 0.2031250 0.2031250 0.2968750), wk = 0.0029851 k( 333) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0029851 k( 334) = ( 0.2343750 0.2343750 0.2656250), wk = 0.0029851 k( 335) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029851 Dense grid: 99983 G-vectors FFT dimensions: ( 75, 75, 75) Smooth grid: 25855 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 140, 40) NL pseudopotentials 0.18 Mb ( 70, 171) Each V/rho on FFT grid 0.17 Mb ( 11250) Each G-vector array 0.02 Mb ( 2085) G-vector shells 0.01 Mb ( 941) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.34 Mb ( 140, 160) Each subspace H/S matrix 0.39 Mb ( 160, 160) Each matrix 0.21 Mb ( 171, 2, 40) The potential is recalculated from file : ./BaSi3Pt.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 46.6 secs Computing kpt #: 2 total cpu time spent up to now is 48.6 secs Computing kpt #: 3 total cpu time spent up to now is 50.6 secs Computing kpt #: 4 total cpu time spent up to now is 52.7 secs Computing kpt #: 5 total cpu time spent up to now is 54.8 secs Computing kpt #: 6 total cpu time spent up to now is 57.1 secs Computing kpt #: 7 total cpu time spent up to now is 59.2 secs Computing kpt #: 8 total cpu time spent up to now is 61.2 secs Computing kpt #: 9 total cpu time spent up to now is 62.9 secs Computing kpt #: 10 total cpu time spent up to now is 66.6 secs Computing kpt #: 11 total cpu time spent up to now is 69.4 secs Computing kpt #: 12 total cpu time spent up to now is 70.9 secs Computing kpt #: 13 total cpu time spent up to now is 72.4 secs Computing kpt #: 14 total cpu time spent up to now is 73.9 secs Computing kpt #: 15 total cpu time spent up to now is 75.4 secs Computing kpt #: 16 total cpu time spent up to now is 76.8 secs Computing kpt #: 17 total cpu time spent up to now is 78.2 secs Computing kpt #: 18 total cpu time spent up to now is 79.9 secs Computing kpt #: 19 total cpu time spent up to now is 81.4 secs Computing kpt #: 20 total cpu time spent up to now is 82.9 secs Computing kpt #: 21 total cpu time spent up to now is 84.4 secs Computing kpt #: 22 total cpu time spent up to now is 86.3 secs Computing kpt #: 23 total cpu time spent up to now is 90.2 secs Computing kpt #: 24 total cpu time spent up to now is 92.9 secs Computing kpt #: 25 total cpu time spent up to now is 94.6 secs Computing kpt #: 26 total cpu time spent up to now is 96.5 secs Computing kpt #: 27 total cpu time spent up to now is 98.3 secs Computing kpt #: 28 total cpu time spent up to now is 100.1 secs Computing kpt #: 29 total cpu time spent up to now is 102.3 secs Computing kpt #: 30 total cpu time spent up to now is 105.5 secs Computing kpt #: 31 total cpu time spent up to now is 109.5 secs Computing kpt #: 32 total cpu time spent up to now is 113.2 secs Computing kpt #: 33 total cpu time spent up to now is 118.1 secs Computing kpt #: 34 total cpu time spent up to now is 120.7 secs Computing kpt #: 35 total cpu time spent up to now is 123.4 secs Computing kpt #: 36 total cpu time spent up to now is 125.9 secs Computing kpt #: 37 total cpu time spent up to now is 128.4 secs Computing kpt #: 38 total cpu time spent up to now is 131.2 secs Computing kpt #: 39 total cpu time spent up to now is 133.7 secs Computing kpt #: 40 total cpu time spent up to now is 136.1 secs Computing kpt #: 41 total cpu time spent up to now is 138.8 secs Computing kpt #: 42 total cpu time spent up to now is 140.9 secs Computing kpt #: 43 total cpu time spent up to now is 142.8 secs Computing kpt #: 44 total cpu time spent up to now is 144.7 secs Computing kpt #: 45 total cpu time spent up to now is 146.8 secs Computing kpt #: 46 total cpu time spent up to now is 148.9 secs Computing kpt #: 47 total cpu time spent up to now is 151.0 secs Computing kpt #: 48 total cpu time spent up to now is 152.8 secs Computing kpt #: 49 total cpu time spent up to now is 154.4 secs Computing kpt #: 50 total cpu time spent up to now is 156.0 secs Computing kpt #: 51 total cpu time spent up to now is 157.7 secs Computing kpt #: 52 total cpu time spent up to now is 159.5 secs Computing kpt #: 53 total cpu time spent up to now is 161.1 secs Computing kpt #: 54 total cpu time spent up to now is 162.7 secs Computing kpt #: 55 total cpu time spent up to now is 164.5 secs Computing kpt #: 56 total cpu time spent up to now is 166.3 secs Computing kpt #: 57 total cpu time spent up to now is 168.1 secs Computing kpt #: 58 total cpu time spent up to now is 169.9 secs Computing kpt #: 59 total cpu time spent up to now is 171.4 secs Computing kpt #: 60 total cpu time spent up to now is 172.9 secs Computing kpt #: 61 total cpu time spent up to now is 174.5 secs Computing kpt #: 62 total cpu time spent up to now is 176.2 secs Computing kpt #: 63 total cpu time spent up to now is 177.6 secs Computing kpt #: 64 total cpu time spent up to now is 179.2 secs Computing kpt #: 65 total cpu time spent up to now is 180.7 secs Computing kpt #: 66 total cpu time spent up to now is 182.3 secs Computing kpt #: 67 total cpu time spent up to now is 183.8 secs Computing kpt #: 68 total cpu time spent up to now is 185.4 secs Computing kpt #: 69 total cpu time spent up to now is 186.9 secs Computing kpt #: 70 total cpu time spent up to now is 188.6 secs Computing kpt #: 71 total cpu time spent up to now is 190.1 secs Computing kpt #: 72 total cpu time spent up to now is 191.7 secs Computing kpt #: 73 total cpu time spent up to now is 193.3 secs Computing kpt #: 74 total cpu time spent up to now is 194.9 secs Computing kpt #: 75 total cpu time spent up to now is 196.6 secs Computing kpt #: 76 total cpu time spent up to now is 198.2 secs Computing kpt #: 77 total cpu time spent up to now is 200.0 secs Computing kpt #: 78 total cpu time spent up to now is 201.7 secs Computing kpt #: 79 total cpu time spent up to now is 203.4 secs Computing kpt #: 80 total cpu time spent up to now is 205.6 secs Computing kpt #: 81 total cpu time spent up to now is 207.5 secs Computing kpt #: 82 total cpu time spent up to now is 209.6 secs Computing kpt #: 83 total cpu time spent up to now is 212.0 secs Computing kpt #: 84 total cpu time spent up to now is 213.8 secs Computing kpt #: 85 total cpu time spent up to now is 215.7 secs Computing kpt #: 86 total cpu time spent up to now is 217.5 secs Computing kpt #: 87 total cpu time spent up to now is 219.3 secs Computing kpt #: 88 total cpu time spent up to now is 221.2 secs Computing kpt #: 89 total cpu time spent up to now is 223.1 secs Computing kpt #: 90 total cpu time spent up to now is 225.0 secs Computing kpt #: 91 total cpu time spent up to now is 226.7 secs Computing kpt #: 92 total cpu time spent up to now is 228.5 secs Computing kpt #: 93 total cpu time spent up to now is 230.3 secs Computing kpt #: 94 total cpu time spent up to now is 232.1 secs Computing kpt #: 95 total cpu time spent up to now is 234.0 secs Computing kpt #: 96 total cpu time spent up to now is 235.9 secs Computing kpt #: 97 total cpu time spent up to now is 237.8 secs Computing kpt #: 98 total cpu time spent up to now is 239.5 secs Computing kpt #: 99 total cpu time spent up to now is 241.2 secs Computing kpt #: 100 total cpu time spent up to now is 242.9 secs Computing kpt #: 101 total cpu time spent up to now is 244.5 secs Computing kpt #: 102 total cpu time spent up to now is 246.2 secs Computing kpt #: 103 total cpu time spent up to now is 247.9 secs Computing kpt #: 104 total cpu time spent up to now is 249.6 secs Computing kpt #: 105 total cpu time spent up to now is 251.2 secs Computing kpt #: 106 total cpu time spent up to now is 252.9 secs Computing kpt #: 107 total cpu time spent up to now is 254.6 secs Computing kpt #: 108 total cpu time spent up to now is 256.3 secs Computing kpt #: 109 total cpu time spent up to now is 258.0 secs Computing kpt #: 110 total cpu time spent up to now is 259.9 secs Computing kpt #: 111 total cpu time spent up to now is 261.7 secs Computing kpt #: 112 total cpu time spent up to now is 263.4 secs Computing kpt #: 113 total cpu time spent up to now is 265.1 secs Computing kpt #: 114 total cpu time spent up to now is 266.7 secs Computing kpt #: 115 total cpu time spent up to now is 268.4 secs Computing kpt #: 116 total cpu time spent up to now is 270.0 secs Computing kpt #: 117 total cpu time spent up to now is 271.5 secs Computing kpt #: 118 total cpu time spent up to now is 273.2 secs Computing kpt #: 119 total cpu time spent up to now is 274.8 secs Computing kpt #: 120 total cpu time spent up to now is 276.3 secs Computing kpt #: 121 total cpu time spent up to now is 277.9 secs Computing kpt #: 122 total cpu time spent up to now is 279.4 secs Computing kpt #: 123 total cpu time spent up to now is 281.0 secs Computing kpt #: 124 total cpu time spent up to now is 282.6 secs Computing kpt #: 125 total cpu time spent up to now is 284.3 secs Computing kpt #: 126 total cpu time spent up to now is 286.0 secs Computing kpt #: 127 total cpu time spent up to now is 287.7 secs Computing kpt #: 128 total cpu time spent up to now is 289.6 secs Computing kpt #: 129 total cpu time spent up to now is 291.6 secs Computing kpt #: 130 total cpu time spent up to now is 294.1 secs Computing kpt #: 131 total cpu time spent up to now is 297.0 secs Computing kpt #: 132 total cpu time spent up to now is 299.5 secs Computing kpt #: 133 total cpu time spent up to now is 301.7 secs Computing kpt #: 134 total cpu time spent up to now is 303.7 secs Computing kpt #: 135 total cpu time spent up to now is 305.8 secs Computing kpt #: 136 total cpu time spent up to now is 307.7 secs Computing kpt #: 137 total cpu time spent up to now is 309.6 secs Computing kpt #: 138 total cpu time spent up to now is 311.6 secs Computing kpt #: 139 total cpu time spent up to now is 313.8 secs Computing kpt #: 140 total cpu time spent up to now is 315.9 secs Computing kpt #: 141 total cpu time spent up to now is 317.9 secs Computing kpt #: 142 total cpu time spent up to now is 320.1 secs Computing kpt #: 143 total cpu time spent up to now is 322.2 secs Computing kpt #: 144 total cpu time spent up to now is 325.0 secs Computing kpt #: 145 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 328.0 secs Computing kpt #: 146 total cpu time spent up to now is 330.9 secs Computing kpt #: 147 total cpu time spent up to now is 333.1 secs Computing kpt #: 148 total cpu time spent up to now is 335.1 secs Computing kpt #: 149 total cpu time spent up to now is 336.9 secs Computing kpt #: 150 total cpu time spent up to now is 338.7 secs Computing kpt #: 151 total cpu time spent up to now is 340.4 secs Computing kpt #: 152 total cpu time spent up to now is 342.1 secs Computing kpt #: 153 total cpu time spent up to now is 343.8 secs Computing kpt #: 154 total cpu time spent up to now is 345.5 secs Computing kpt #: 155 total cpu time spent up to now is 347.1 secs Computing kpt #: 156 total cpu time spent up to now is 348.9 secs Computing kpt #: 157 total cpu time spent up to now is 350.7 secs Computing kpt #: 158 total cpu time spent up to now is 352.4 secs Computing kpt #: 159 total cpu time spent up to now is 354.1 secs Computing kpt #: 160 total cpu time spent up to now is 355.8 secs Computing kpt #: 161 total cpu time spent up to now is 357.5 secs Computing kpt #: 162 total cpu time spent up to now is 359.3 secs Computing kpt #: 163 total cpu time spent up to now is 361.1 secs Computing kpt #: 164 total cpu time spent up to now is 362.9 secs Computing kpt #: 165 total cpu time spent up to now is 364.7 secs Computing kpt #: 166 total cpu time spent up to now is 366.5 secs Computing kpt #: 167 total cpu time spent up to now is 368.4 secs Computing kpt #: 168 total cpu time spent up to now is 370.3 secs Computing kpt #: 169 total cpu time spent up to now is 372.3 secs Computing kpt #: 170 total cpu time spent up to now is 374.2 secs Computing kpt #: 171 total cpu time spent up to now is 376.4 secs Computing kpt #: 172 total cpu time spent up to now is 378.3 secs Computing kpt #: 173 total cpu time spent up to now is 380.3 secs Computing kpt #: 174 total cpu time spent up to now is 382.5 secs Computing kpt #: 175 total cpu time spent up to now is 384.5 secs Computing kpt #: 176 total cpu time spent up to now is 386.6 secs Computing kpt #: 177 total cpu time spent up to now is 388.8 secs Computing kpt #: 178 total cpu time spent up to now is 391.1 secs Computing kpt #: 179 total cpu time spent up to now is 393.3 secs Computing kpt #: 180 total cpu time spent up to now is 395.5 secs Computing kpt #: 181 total cpu time spent up to now is 397.3 secs Computing kpt #: 182 total cpu time spent up to now is 399.1 secs Computing kpt #: 183 total cpu time spent up to now is 400.8 secs Computing kpt #: 184 total cpu time spent up to now is 402.4 secs Computing kpt #: 185 total cpu time spent up to now is 404.1 secs Computing kpt #: 186 total cpu time spent up to now is 406.1 secs Computing kpt #: 187 total cpu time spent up to now is 408.7 secs Computing kpt #: 188 total cpu time spent up to now is 411.3 secs Computing kpt #: 189 total cpu time spent up to now is 413.1 secs Computing kpt #: 190 total cpu time spent up to now is 414.9 secs Computing kpt #: 191 total cpu time spent up to now is 416.5 secs Computing kpt #: 192 total cpu time spent up to now is 418.2 secs Computing kpt #: 193 total cpu time spent up to now is 419.8 secs Computing kpt #: 194 total cpu time spent up to now is 421.5 secs Computing kpt #: 195 total cpu time spent up to now is 423.2 secs Computing kpt #: 196 total cpu time spent up to now is 424.9 secs Computing kpt #: 197 total cpu time spent up to now is 426.6 secs Computing kpt #: 198 total cpu time spent up to now is 428.4 secs Computing kpt #: 199 total cpu time spent up to now is 430.2 secs Computing kpt #: 200 total cpu time spent up to now is 432.0 secs Computing kpt #: 201 total cpu time spent up to now is 433.9 secs Computing kpt #: 202 total cpu time spent up to now is 435.6 secs Computing kpt #: 203 total cpu time spent up to now is 437.4 secs Computing kpt #: 204 total cpu time spent up to now is 439.1 secs Computing kpt #: 205 total cpu time spent up to now is 440.7 secs Computing kpt #: 206 total cpu time spent up to now is 442.3 secs Computing kpt #: 207 total cpu time spent up to now is 443.8 secs Computing kpt #: 208 total cpu time spent up to now is 445.4 secs Computing kpt #: 209 total cpu time spent up to now is 446.9 secs Computing kpt #: 210 total cpu time spent up to now is 448.3 secs Computing kpt #: 211 total cpu time spent up to now is 449.8 secs Computing kpt #: 212 total cpu time spent up to now is 451.2 secs Computing kpt #: 213 total cpu time spent up to now is 452.6 secs Computing kpt #: 214 total cpu time spent up to now is 454.1 secs Computing kpt #: 215 total cpu time spent up to now is 455.4 secs Computing kpt #: 216 total cpu time spent up to now is 456.8 secs Computing kpt #: 217 total cpu time spent up to now is 458.2 secs Computing kpt #: 218 total cpu time spent up to now is 459.6 secs Computing kpt #: 219 total cpu time spent up to now is 460.9 secs Computing kpt #: 220 total cpu time spent up to now is 462.2 secs Computing kpt #: 221 total cpu time spent up to now is 463.6 secs Computing kpt #: 222 total cpu time spent up to now is 464.9 secs Computing kpt #: 223 total cpu time spent up to now is 466.4 secs Computing kpt #: 224 total cpu time spent up to now is 467.8 secs Computing kpt #: 225 total cpu time spent up to now is 469.3 secs Computing kpt #: 226 total cpu time spent up to now is 470.8 secs Computing kpt #: 227 total cpu time spent up to now is 472.2 secs Computing kpt #: 228 total cpu time spent up to now is 473.7 secs Computing kpt #: 229 total cpu time spent up to now is 475.3 secs Computing kpt #: 230 total cpu time spent up to now is 476.9 secs Computing kpt #: 231 total cpu time spent up to now is 478.7 secs Computing kpt #: 232 total cpu time spent up to now is 480.4 secs Computing kpt #: 233 total cpu time spent up to now is 482.1 secs Computing kpt #: 234 total cpu time spent up to now is 484.0 secs Computing kpt #: 235 total cpu time spent up to now is 485.7 secs Computing kpt #: 236 total cpu time spent up to now is 487.5 secs Computing kpt #: 237 total cpu time spent up to now is 489.2 secs Computing kpt #: 238 total cpu time spent up to now is 490.9 secs Computing kpt #: 239 total cpu time spent up to now is 492.6 secs Computing kpt #: 240 total cpu time spent up to now is 494.2 secs Computing kpt #: 241 total cpu time spent up to now is 495.7 secs Computing kpt #: 242 total cpu time spent up to now is 497.3 secs Computing kpt #: 243 total cpu time spent up to now is 498.8 secs Computing kpt #: 244 total cpu time spent up to now is 500.3 secs Computing kpt #: 245 total cpu time spent up to now is 501.8 secs Computing kpt #: 246 total cpu time spent up to now is 503.2 secs Computing kpt #: 247 total cpu time spent up to now is 505.2 secs Computing kpt #: 248 total cpu time spent up to now is 506.6 secs Computing kpt #: 249 total cpu time spent up to now is 508.1 secs Computing kpt #: 250 total cpu time spent up to now is 509.5 secs Computing kpt #: 251 total cpu time spent up to now is 511.0 secs Computing kpt #: 252 total cpu time spent up to now is 512.4 secs Computing kpt #: 253 total cpu time spent up to now is 513.8 secs Computing kpt #: 254 total cpu time spent up to now is 515.2 secs Computing kpt #: 255 total cpu time spent up to now is 516.7 secs Computing kpt #: 256 total cpu time spent up to now is 518.1 secs Computing kpt #: 257 total cpu time spent up to now is 519.6 secs Computing kpt #: 258 total cpu time spent up to now is 521.0 secs Computing kpt #: 259 total cpu time spent up to now is 522.4 secs Computing kpt #: 260 total cpu time spent up to now is 523.8 secs Computing kpt #: 261 total cpu time spent up to now is 525.3 secs Computing kpt #: 262 total cpu time spent up to now is 526.7 secs Computing kpt #: 263 total cpu time spent up to now is 528.2 secs Computing kpt #: 264 total cpu time spent up to now is 529.7 secs Computing kpt #: 265 total cpu time spent up to now is 531.3 secs Computing kpt #: 266 total cpu time spent up to now is 532.8 secs Computing kpt #: 267 total cpu time spent up to now is 534.4 secs Computing kpt #: 268 total cpu time spent up to now is 535.9 secs Computing kpt #: 269 total cpu time spent up to now is 537.5 secs Computing kpt #: 270 total cpu time spent up to now is 539.0 secs Computing kpt #: 271 total cpu time spent up to now is 540.5 secs Computing kpt #: 272 total cpu time spent up to now is 542.3 secs Computing kpt #: 273 total cpu time spent up to now is 543.8 secs Computing kpt #: 274 total cpu time spent up to now is 545.3 secs Computing kpt #: 275 total cpu time spent up to now is 546.9 secs Computing kpt #: 276 total cpu time spent up to now is 548.4 secs Computing kpt #: 277 total cpu time spent up to now is 550.0 secs Computing kpt #: 278 total cpu time spent up to now is 551.5 secs Computing kpt #: 279 total cpu time spent up to now is 553.0 secs Computing kpt #: 280 total cpu time spent up to now is 554.5 secs Computing kpt #: 281 total cpu time spent up to now is 556.1 secs Computing kpt #: 282 total cpu time spent up to now is 557.6 secs Computing kpt #: 283 total cpu time spent up to now is 559.1 secs Computing kpt #: 284 total cpu time spent up to now is 560.7 secs Computing kpt #: 285 total cpu time spent up to now is 562.3 secs Computing kpt #: 286 total cpu time spent up to now is 563.8 secs Computing kpt #: 287 total cpu time spent up to now is 565.3 secs Computing kpt #: 288 total cpu time spent up to now is 566.9 secs Computing kpt #: 289 total cpu time spent up to now is 568.5 secs Computing kpt #: 290 total cpu time spent up to now is 570.0 secs Computing kpt #: 291 total cpu time spent up to now is 571.6 secs Computing kpt #: 292 total cpu time spent up to now is 573.4 secs Computing kpt #: 293 total cpu time spent up to now is 574.9 secs Computing kpt #: 294 total cpu time spent up to now is 576.6 secs Computing kpt #: 295 total cpu time spent up to now is 578.2 secs Computing kpt #: 296 total cpu time spent up to now is 579.8 secs Computing kpt #: 297 total cpu time spent up to now is 581.3 secs Computing kpt #: 298 total cpu time spent up to now is 583.0 secs Computing kpt #: 299 total cpu time spent up to now is 584.6 secs Computing kpt #: 300 total cpu time spent up to now is 586.2 secs Computing kpt #: 301 total cpu time spent up to now is 587.7 secs Computing kpt #: 302 total cpu time spent up to now is 589.3 secs Computing kpt #: 303 total cpu time spent up to now is 591.0 secs Computing kpt #: 304 total cpu time spent up to now is 592.6 secs Computing kpt #: 305 total cpu time spent up to now is 594.2 secs Computing kpt #: 306 total cpu time spent up to now is 596.0 secs Computing kpt #: 307 total cpu time spent up to now is 597.7 secs Computing kpt #: 308 total cpu time spent up to now is 599.4 secs Computing kpt #: 309 total cpu time spent up to now is 601.1 secs Computing kpt #: 310 total cpu time spent up to now is 602.9 secs Computing kpt #: 311 total cpu time spent up to now is 604.7 secs Computing kpt #: 312 total cpu time spent up to now is 606.6 secs Computing kpt #: 313 total cpu time spent up to now is 608.4 secs Computing kpt #: 314 total cpu time spent up to now is 610.3 secs Computing kpt #: 315 total cpu time spent up to now is 612.2 secs Computing kpt #: 316 total cpu time spent up to now is 614.2 secs Computing kpt #: 317 total cpu time spent up to now is 616.1 secs Computing kpt #: 318 total cpu time spent up to now is 618.0 secs Computing kpt #: 319 total cpu time spent up to now is 619.9 secs Computing kpt #: 320 total cpu time spent up to now is 621.5 secs Computing kpt #: 321 total cpu time spent up to now is 623.0 secs Computing kpt #: 322 total cpu time spent up to now is 624.6 secs Computing kpt #: 323 total cpu time spent up to now is 626.1 secs Computing kpt #: 324 total cpu time spent up to now is 627.7 secs Computing kpt #: 325 total cpu time spent up to now is 629.1 secs Computing kpt #: 326 total cpu time spent up to now is 630.7 secs Computing kpt #: 327 total cpu time spent up to now is 632.2 secs Computing kpt #: 328 total cpu time spent up to now is 634.1 secs Computing kpt #: 329 total cpu time spent up to now is 635.5 secs Computing kpt #: 330 total cpu time spent up to now is 637.0 secs Computing kpt #: 331 total cpu time spent up to now is 638.6 secs Computing kpt #: 332 total cpu time spent up to now is 640.1 secs Computing kpt #: 333 total cpu time spent up to now is 641.6 secs Computing kpt #: 334 total cpu time spent up to now is 643.0 secs Computing kpt #: 335 total cpu time spent up to now is 644.5 secs ethr = 3.13E-11, avg # of iterations = 41.5 total cpu time spent up to now is 644.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3219 PWs) bands (ev): -15.8009 -15.8009 -2.6159 -2.6159 -0.8516 -0.8516 -0.5354 -0.5354 -0.1271 -0.1271 4.2623 4.2623 4.6523 4.6523 5.6982 5.6982 6.0221 6.0221 7.2083 7.2083 7.2555 7.2555 8.0111 8.0111 8.1718 8.1718 9.0090 9.0090 9.2476 9.2476 11.3528 11.3528 11.8258 11.8258 12.5710 12.5710 12.5715 12.5715 15.0850 15.0850 k = 0.0000 0.0000 0.0186 ( 3223 PWs) bands (ev): -15.8009 -15.8009 -2.6182 -2.6141 -0.8625 -0.8421 -0.5384 -0.5379 -0.1300 -0.1146 4.2538 4.2665 4.6500 4.6536 5.6921 5.7022 6.0069 6.0353 7.2003 7.2175 7.2548 7.2584 7.9923 8.0268 8.1682 8.1820 8.9927 9.0312 9.2443 9.2573 11.3418 11.3427 11.8075 11.8161 12.5572 12.5797 12.5819 12.5967 15.0919 15.0928 k = 0.0000 0.0000 0.0371 ( 3223 PWs) bands (ev): -15.8008 -15.8007 -2.6210 -2.6129 -0.8746 -0.8338 -0.5473 -0.5451 -0.1232 -0.0937 4.2413 4.2663 4.6468 4.6539 5.6842 5.7039 5.9896 6.0467 7.1949 7.2244 7.2602 7.2618 7.9730 8.0380 8.1698 8.1995 8.9830 9.0587 9.2472 9.2728 11.3110 11.3115 11.7644 11.7801 12.5535 12.6017 12.6127 12.6346 15.1129 15.1137 k = 0.0000 0.0000 0.0557 ( 3229 PWs) bands (ev): -15.8005 -15.8005 -2.6242 -2.6122 -0.8877 -0.8268 -0.5615 -0.5556 -0.1073 -0.0658 4.2248 4.2616 4.6427 4.6528 5.6750 5.7032 5.9704 6.0566 7.1919 7.2258 7.2645 7.2747 7.9553 8.0447 8.1751 8.2230 8.9806 9.0910 9.2566 9.2942 11.2586 11.2642 11.7020 11.7231 12.5588 12.6289 12.6607 12.6863 15.1440 15.1453 k = 0.0000 0.0000 0.0742 ( 3237 PWs) bands (ev): -15.8002 -15.8001 -2.6280 -2.6120 -0.9019 -0.8211 -0.5799 -0.5682 -0.0834 -0.0322 4.2047 4.2525 4.6378 4.6504 5.6649 5.7001 5.9496 6.0656 7.1910 7.2238 7.2658 7.2960 7.9409 8.0480 8.1829 8.2501 8.9863 9.1277 9.2723 9.3209 11.1871 11.2026 11.6264 11.6518 12.5709 12.6562 12.7222 12.7508 15.1787 15.1840 k = 0.0000 0.0000 0.0928 ( 3241 PWs) bands (ev): -15.7997 -15.7997 -2.6321 -2.6124 -0.9169 -0.8166 -0.6012 -0.5818 -0.0529 0.0059 4.1812 4.2389 4.6320 4.6463 5.6542 5.6950 5.9280 6.0741 7.1919 7.2202 7.2649 7.3216 7.9310 8.0491 8.1921 8.2785 9.0008 9.1687 9.2939 9.3527 11.0990 11.1293 11.5427 11.5725 12.5875 12.6813 12.7941 12.8255 15.2094 15.2197 k = 0.0000 0.0000 0.1113 ( 3233 PWs) bands (ev): -15.7992 -15.7992 -2.6367 -2.6133 -0.9324 -0.8134 -0.6242 -0.5959 -0.0169 0.0476 4.1545 4.2210 4.6253 4.6405 5.6432 5.6884 5.9061 6.0825 7.1937 7.2158 7.2613 7.3500 7.9262 8.0488 8.2021 8.3062 9.0243 9.2140 9.3208 9.3891 10.9968 11.0462 11.4553 11.4897 12.6069 12.7037 12.8742 12.9080 15.2149 15.2314 k = 0.0000 0.0000 0.1299 ( 3237 PWs) bands (ev): -15.7986 -15.7985 -2.6416 -2.6148 -0.9484 -0.8114 -0.6480 -0.6099 0.0236 0.0923 4.1248 4.1990 4.6175 4.6327 5.6322 5.6808 5.8850 6.0911 7.1959 7.2108 7.2549 7.3801 7.9266 8.0478 8.2122 8.3320 9.0567 9.2632 9.3524 9.4298 10.8834 10.9556 11.3672 11.4064 12.6281 12.7237 12.9607 12.9966 15.1629 15.1905 k = 0.0000 0.0000 0.1484 ( 3239 PWs) bands (ev): -15.7979 -15.7978 -2.6469 -2.6168 -0.9645 -0.8107 -0.6718 -0.6237 0.0677 0.1395 4.0924 4.1730 4.6086 4.6228 5.6211 5.6730 5.8652 6.1000 7.1970 7.2052 7.2463 7.4109 7.9317 8.0463 8.2220 8.3552 9.0975 9.3160 9.3878 9.4742 10.7623 10.8598 11.2809 11.3245 12.6509 12.7416 13.0523 13.0902 15.0762 15.1151 k = 0.0000 0.0000 0.1670 ( 3243 PWs) bands (ev): -15.7971 -15.7970 -2.6525 -2.6193 -0.9806 -0.8115 -0.6950 -0.6372 0.1150 0.1887 4.0577 4.1434 4.5985 4.6107 5.6100 5.6656 5.8477 6.1096 7.1949 7.1989 7.2376 7.4416 7.9408 8.0446 8.2309 8.3754 9.1452 9.3701 9.4278 9.5216 10.6369 10.7615 11.1979 11.2450 12.6750 12.7584 13.1482 13.1876 14.9770 15.0267 k = 0.0000 0.0000 0.1856 ( 3237 PWs) bands (ev): -15.7962 -15.7961 -2.6583 -2.6223 -0.9963 -0.8140 -0.7168 -0.6502 0.1649 0.2397 4.0208 4.1105 4.5870 4.5963 5.5990 5.6591 5.8331 6.1198 7.1860 7.1918 7.2323 7.4712 7.9528 8.0428 8.2387 8.3929 9.1979 9.4196 9.4760 9.5711 10.5111 10.6637 11.1194 11.1685 12.7010 12.7749 13.2477 13.2884 14.8721 14.9324 k = 0.0000 0.0000 0.2041 ( 3233 PWs) bands (ev): -15.7952 -15.7952 -2.6644 -2.6257 -1.0117 -0.8187 -0.7365 -0.6628 0.2172 0.2923 3.9820 4.0746 4.5742 4.5797 5.5882 5.6540 5.8218 6.1308 7.1696 7.1840 7.2314 7.4990 7.9662 8.0411 8.2450 8.4077 9.2530 9.4579 9.5363 9.6213 10.3896 10.5698 11.0461 11.0954 12.7293 12.7919 13.3500 13.3919 14.7640 14.8350 k = 0.0000 0.0000 0.2227 ( 3227 PWs) bands (ev): -15.7942 -15.7941 -2.6707 -2.6296 -1.0264 -0.8262 -0.7533 -0.6751 0.2714 0.3463 3.9417 4.0361 4.5598 4.5610 5.5776 5.6507 5.8141 6.1425 7.1480 7.1753 7.2329 7.5240 7.9797 8.0395 8.2498 8.4202 9.3072 9.4850 9.6055 9.6690 10.2786 10.4834 10.9790 11.0265 12.7605 12.8105 13.4547 13.4978 14.6546 14.7362 k = 0.0000 0.0000 0.2412 ( 3227 PWs) bands (ev): -15.7931 -15.7930 -2.6771 -2.6339 -1.0404 -0.8370 -0.7665 -0.6870 0.3274 0.4014 3.9000 3.9954 4.5402 4.5441 5.5676 5.6492 5.8100 6.1551 7.1230 7.1658 7.2351 7.5456 7.9919 8.0379 8.2528 8.4306 9.3560 9.5013 9.6791 9.7082 10.1882 10.4077 10.9196 10.9626 12.7952 12.8316 13.5612 13.6057 14.5455 14.6374 k = 0.0000 0.0000 0.2598 ( 3225 PWs) bands (ev): -15.7919 -15.7919 -2.6836 -2.6386 -1.0535 -0.8506 -0.7765 -0.6985 0.3850 0.4577 3.8572 3.9528 4.5178 4.5269 5.5583 5.6497 5.8094 6.1683 7.0957 7.1554 7.2374 7.5629 8.0012 8.0360 8.2541 8.4388 9.3937 9.5061 9.7289 9.7536 10.1331 10.3455 10.8698 10.9052 12.8342 12.8561 13.6689 13.7154 14.4382 14.5395 k = 0.0000 0.0000 0.2783 ( 3225 PWs) bands (ev): -15.7907 -15.7906 -2.6902 -2.6435 -1.0658 -0.8661 -0.7840 -0.7098 0.4441 0.5149 3.8135 3.9087 4.4938 4.5083 5.5499 5.6519 5.8119 6.1823 7.0666 7.1440 7.2393 7.5756 8.0064 8.0335 8.2538 8.4448 9.4126 9.4993 9.7265 9.8255 10.1240 10.2978 10.8326 10.8564 12.8779 12.8849 13.7763 13.8264 14.3347 14.4435 k = 0.0000 0.0000 0.2969 ( 3233 PWs) bands (ev): -15.7894 -15.7894 -2.6968 -2.6488 -1.0771 -0.8825 -0.7901 -0.7208 0.5043 0.5730 3.7693 3.8634 4.4687 4.4886 5.5426 5.6557 5.8172 6.1970 7.0360 7.1316 7.2409 7.5831 8.0061 8.0296 8.2520 8.4485 9.4054 9.4823 9.7149 9.8906 10.1512 10.2638 10.8122 10.8201 12.9188 12.9268 13.8798 13.9385 14.2396 14.3504 k = 0.0000 0.0000 0.3154 ( 3233 PWs) bands (ev): -15.7881 -15.7880 -2.7034 -2.6543 -1.0873 -0.8989 -0.7953 -0.7316 0.5657 0.6318 3.7246 3.8173 4.4426 4.4677 5.5364 5.6607 5.8250 6.2122 7.0042 7.1183 7.2420 7.5851 7.9995 8.0236 8.2489 8.4497 9.3729 9.4580 9.7100 9.9438 10.1931 10.2405 10.8021 10.8132 12.9586 12.9812 13.9620 14.0500 14.1708 14.2624 k = 0.0000 0.0000 0.3340 ( 3233 PWs) bands (ev): -15.7867 -15.7867 -2.7100 -2.6600 -1.0966 -0.9151 -0.8002 -0.7421 0.6281 0.6913 3.6798 3.7705 4.4160 4.4460 5.5313 5.6664 5.8349 6.2278 6.9713 7.1041 7.2425 7.5811 7.9860 8.0148 8.2448 8.4482 9.3264 9.4302 9.7123 9.9804 10.2246 10.2307 10.8102 10.8395 13.0047 13.0413 13.9635 14.1363 14.1890 14.2046 k = 0.0000 0.0000 0.3526 ( 3233 PWs) bands (ev): -15.7853 -15.7852 -2.7165 -2.6658 -1.1048 -0.9307 -0.8048 -0.7525 0.6914 0.7513 3.6349 3.7235 4.3891 4.4234 5.5272 5.6723 5.8466 6.2438 6.9375 7.0889 7.2427 7.5707 7.9655 8.0028 8.2398 8.4442 9.2780 9.4021 9.7162 9.9978 10.2135 10.2517 10.8505 10.8925 13.0575 13.1067 13.8987 14.0822 14.2805 14.2929 k = 0.0000 0.0000 0.3711 ( 3231 PWs) bands (ev): -15.7838 -15.7838 -2.7228 -2.6718 -1.1120 -0.9456 -0.8094 -0.7626 0.7555 0.8119 3.5902 3.6765 4.3622 4.4003 5.5238 5.6778 5.8598 6.2601 6.9027 7.0727 7.2427 7.5535 7.9387 7.9877 8.2339 8.4383 9.2351 9.3763 9.7174 9.9964 10.2051 10.2531 10.9229 10.9701 13.1169 13.1766 13.8242 14.0087 14.3902 14.4072 k = 0.0000 0.0000 0.3897 ( 3223 PWs) bands (ev): -15.7823 -15.7823 -2.7291 -2.6779 -1.1183 -0.9597 -0.8140 -0.7725 0.8202 0.8729 3.5459 3.6295 4.3353 4.3766 5.5208 5.6824 5.8742 6.2764 6.8670 7.0557 7.2425 7.5289 7.9068 7.9702 8.2271 8.4310 9.2006 9.3540 9.7139 9.9799 10.1971 10.2385 11.0213 11.0684 13.1826 13.2488 13.7555 13.9404 14.5053 14.5237 k = 0.0000 0.0000 0.4082 ( 3219 PWs) bands (ev): -15.7808 -15.7808 -2.7351 -2.6840 -1.1235 -0.9730 -0.8185 -0.7823 0.8856 0.9342 3.5021 3.5830 4.3088 4.3526 5.5179 5.6853 5.8895 6.2928 6.8305 7.0379 7.2426 7.4966 7.8714 7.9517 8.2193 8.4231 9.1751 9.3355 9.7049 9.9529 10.1871 10.2134 11.1388 11.1828 13.2532 13.3189 13.7001 13.8800 14.6226 14.6408 k = 0.0000 0.0000 0.4268 ( 3222 PWs) bands (ev): -15.7793 -15.7793 -2.7409 -2.6901 -1.1279 -0.9854 -0.8232 -0.7918 0.9514 0.9958 3.4588 3.5370 4.2826 4.3281 5.5148 5.6860 5.9056 6.3091 6.7933 7.0194 7.2431 7.4571 7.8340 7.9336 8.2106 8.4152 9.1577 9.3207 9.6907 9.9195 10.1732 10.1818 11.2698 11.3099 13.3269 13.3761 13.6696 13.8301 14.7410 14.7580 k = 0.0000 0.0000 0.4453 ( 3222 PWs) bands (ev): -15.7778 -15.7778 -2.7466 -2.6961 -1.1313 -0.9970 -0.8278 -0.8011 1.0177 1.0576 3.4164 3.4916 4.2568 4.3034 5.5109 5.6837 5.9220 6.3253 6.7555 7.0003 7.2445 7.4112 7.7964 7.9173 8.2008 8.4077 9.1465 9.3087 9.6716 9.8825 10.1459 10.1545 11.4107 11.4469 13.3996 13.4038 13.6810 13.7944 14.8598 14.8744 k = 0.0000 0.0000 0.4639 ( 3232 PWs) bands (ev): -15.7763 -15.7763 -2.7519 -2.7021 -1.1339 -1.0077 -0.8325 -0.8101 1.0843 1.1195 3.3749 3.4472 4.2314 4.2782 5.5060 5.6779 5.9386 6.3413 6.7172 6.9807 7.2472 7.3608 7.7598 7.9037 8.1899 8.4005 9.1398 9.2987 9.6485 9.8438 10.1069 10.1303 11.5594 11.5919 13.4001 13.4643 13.7355 13.7793 14.9783 14.9892 k = 0.0000 0.0000 0.4824 ( 3236 PWs) bands (ev): -15.7747 -15.7747 -2.7570 -2.7080 -1.1357 -1.0175 -0.8372 -0.8190 1.1512 1.1816 3.3343 3.4036 4.2064 4.2526 5.4998 5.6683 5.9551 6.3570 6.6789 6.9607 7.2516 7.3079 7.7255 7.8930 8.1780 8.3936 9.1358 9.2899 9.6223 9.8047 10.0652 10.1004 11.7141 11.7433 13.3833 13.5111 13.7936 13.8137 15.0957 15.1003 k = 0.0000 0.0000 0.5010 ( 3232 PWs) bands (ev): -15.7732 -15.7732 -2.7619 -2.7138 -1.1367 -1.0266 -0.8419 -0.8276 1.2182 1.2436 3.2948 3.3612 4.1815 4.2263 5.4919 5.6546 5.9713 6.3725 6.6406 6.9405 7.2547 7.2581 7.6942 7.8851 8.1652 8.3867 9.1328 9.2813 9.5938 9.7661 10.0212 10.0648 11.8739 11.9001 13.3670 13.5365 13.8390 13.9006 15.2029 15.2110 k = 0.0000 0.0000 0.5196 ( 3238 PWs) bands (ev): -15.7717 -15.7717 -2.7664 -2.7194 -1.1370 -1.0348 -0.8466 -0.8359 1.2854 1.3057 3.2565 3.3199 4.1566 4.1992 5.4822 5.6368 5.9869 6.3876 6.6029 6.9202 7.2033 7.2669 7.6662 7.8800 8.1516 8.3796 9.1297 9.2725 9.5638 9.7284 9.9750 10.0236 12.0378 12.0615 13.3568 13.5495 13.9043 13.9879 15.2822 15.3214 k = 0.0000 0.0000 0.5381 ( 3242 PWs) bands (ev): -15.7703 -15.7702 -2.7707 -2.7249 -1.1367 -1.0422 -0.8513 -0.8439 1.3526 1.3676 3.2195 3.2799 4.1315 4.1711 5.4706 5.6153 6.0017 6.4021 6.5660 6.8999 7.1556 7.2783 7.6419 7.8772 8.1373 8.3722 9.1254 9.2627 9.5329 9.6923 9.9268 9.9770 12.2052 12.2268 13.3555 13.5605 13.9756 14.0699 15.3217 15.4057 k = 0.0000 0.0000 0.5567 ( 3242 PWs) bands (ev): -15.7688 -15.7688 -2.7746 -2.7302 -1.1358 -1.0489 -0.8560 -0.8517 1.4198 1.4294 3.1837 3.2412 4.1058 4.1416 5.4572 5.5904 6.0154 6.4158 6.5306 6.8799 7.1129 7.2923 7.6213 7.8765 8.1226 8.3643 9.1191 9.2516 9.5016 9.6578 9.8770 9.9255 12.3755 12.3953 13.3641 13.5755 14.0434 14.1418 15.3435 15.4308 k = 0.0000 0.0000 0.5752 ( 3240 PWs) bands (ev): -15.7674 -15.7673 -2.7783 -2.7353 -1.1344 -1.0548 -0.8606 -0.8591 1.4868 1.4911 3.1494 3.2039 4.0792 4.1105 5.4423 5.5631 6.0278 6.4270 6.4983 6.8602 7.0762 7.3086 7.6044 7.8776 8.1075 8.3557 9.1103 9.2389 9.4701 9.6253 9.8262 9.8694 12.5482 12.5665 13.3829 13.5970 14.1011 14.1994 15.3700 15.4557 k = 0.0000 0.0000 0.5938 ( 3248 PWs) bands (ev): -15.7660 -15.7659 -2.7816 -2.7403 -1.1325 -1.0600 -0.8662 -0.8651 1.5525 1.5536 3.1165 3.1681 4.0514 4.0775 5.4261 5.5341 6.0388 6.4292 6.4756 6.8412 7.0461 7.3269 7.5912 7.8803 8.0924 8.3464 9.0986 9.2246 9.4385 9.5948 9.7750 9.8093 12.7227 12.7400 13.4121 13.6258 14.1447 14.2397 15.4101 15.4916 k = 0.0000 0.0000 0.6123 ( 3244 PWs) bands (ev): -15.7646 -15.7646 -2.7847 -2.7450 -1.1302 -1.0646 -0.8730 -0.8696 1.6136 1.6202 3.0851 3.1338 4.0220 4.0424 5.4092 5.5045 6.0481 6.4112 6.4739 6.8232 7.0225 7.3463 7.5819 7.8844 8.0775 8.3362 9.0839 9.2086 9.4067 9.5661 9.7244 9.7458 12.8985 12.9150 13.4512 13.6615 14.1731 14.2617 15.4663 15.5379 k = 0.0000 0.0000 0.6309 ( 3244 PWs) bands (ev): -15.7633 -15.7633 -2.7874 -2.7495 -1.1275 -1.0686 -0.8794 -0.8739 1.6745 1.6863 3.0552 3.1011 3.9907 4.0050 5.3921 5.4752 6.0558 6.3833 6.4829 6.8065 7.0053 7.3659 7.5769 7.8897 8.0632 8.3253 9.0660 9.1910 9.3745 9.5390 9.6753 9.6798 13.0750 13.0912 13.4996 13.7029 14.1880 14.2668 15.5345 15.5874 k = 0.0000 0.0000 0.6494 ( 3236 PWs) bands (ev): -15.7621 -15.7620 -2.7899 -2.7538 -1.1246 -1.0720 -0.8854 -0.8782 1.7350 1.7520 3.0269 3.0700 3.9574 3.9651 5.3754 5.4471 6.0618 6.3539 6.4939 6.7914 6.9941 7.3840 7.5770 7.8959 8.0497 8.3137 9.0449 9.1720 9.3416 9.5126 9.6130 9.6288 13.2512 13.2679 13.5564 13.7473 14.1942 14.2583 15.5973 15.6320 k = 0.0000 0.0000 0.6680 ( 3240 PWs) bands (ev): -15.7609 -15.7608 -2.7921 -2.7579 -1.1215 -1.0749 -0.8910 -0.8823 1.7950 1.8170 3.0001 3.0405 3.9217 3.9228 5.3596 5.4210 6.0661 6.3251 6.5051 6.7781 6.9882 7.3990 7.5832 7.9029 8.0374 8.3014 9.0207 9.1518 9.3079 9.4835 9.5491 9.5859 13.4258 13.4444 13.6207 13.7904 14.1988 14.2409 15.6396 15.6712 k = 0.0000 0.0000 0.6866 ( 3240 PWs) bands (ev): -15.7597 -15.7597 -2.7939 -2.7618 -1.1183 -1.0772 -0.8962 -0.8862 1.8546 1.8814 2.9751 3.0126 3.8782 3.8837 5.3451 5.3974 6.0689 6.2974 6.5160 6.7666 6.9871 7.4094 7.5962 7.9105 8.0267 8.2886 8.9933 9.1303 9.2735 9.4406 9.5000 9.5472 13.5933 13.6199 13.6940 13.8257 14.2111 14.2200 15.6727 15.7066 k = 0.0000 0.0000 0.7051 ( 3246 PWs) bands (ev): -15.7587 -15.7586 -2.7956 -2.7655 -1.1149 -1.0792 -0.9010 -0.8900 1.9136 1.9448 2.9516 2.9864 3.8314 3.8433 5.3323 5.3768 6.0704 6.2711 6.5263 6.7567 6.9903 7.4144 7.6157 7.9184 8.0179 8.2756 8.9630 9.1078 9.2389 9.3793 9.4712 9.5130 13.7206 13.7925 13.8041 13.8474 14.2028 14.2401 15.7000 15.7362 k = 0.0000 0.0000 0.7237 ( 3246 PWs) bands (ev): -15.7576 -15.7576 -2.7969 -2.7690 -1.1116 -1.0807 -0.9053 -0.8937 1.9719 2.0072 2.9298 2.9619 3.7828 3.8007 5.3214 5.3591 6.0709 6.2464 6.5361 6.7483 6.9971 7.4145 7.6405 7.9265 8.0114 8.2624 8.9299 9.0839 9.2048 9.3123 9.4510 9.4833 13.7875 13.8474 13.9619 13.9664 14.1990 14.2902 15.7178 15.7534 k = 0.0000 0.0000 0.7422 ( 3244 PWs) bands (ev): -15.7567 -15.7566 -2.7981 -2.7723 -1.1083 -1.0819 -0.9092 -0.8971 2.0295 2.0684 2.9097 2.9391 3.7329 3.7563 5.3125 5.3446 6.0705 6.2233 6.5454 6.7410 7.0072 7.4105 7.6693 7.9346 8.0074 8.2494 8.8944 9.0583 9.1721 9.2462 9.4342 9.4577 13.8246 13.8361 14.1251 14.1332 14.2201 14.3590 15.7224 15.7545 k = 0.0000 0.0000 0.7608 ( 3248 PWs) bands (ev): -15.7558 -15.7558 -2.7989 -2.7754 -1.1051 -1.0828 -0.9125 -0.9004 2.0861 2.1279 2.8913 2.9180 3.6823 3.7105 5.3054 5.3329 6.0696 6.2019 6.5543 6.7343 7.0200 7.4031 7.7003 7.9424 8.0061 8.2366 8.8574 9.0294 9.1414 9.1845 9.4196 9.4357 13.8154 13.8347 14.2673 14.2889 14.2952 14.4414 15.7153 15.7439 k = 0.0000 0.0000 0.7793 ( 3248 PWs) bands (ev): -15.7550 -15.7550 -2.7996 -2.7782 -1.1021 -1.0835 -0.9154 -0.9035 2.1415 2.1856 2.8745 2.8985 3.6315 3.6637 5.3002 5.3238 6.0686 6.1824 6.5630 6.7281 7.0351 7.3929 7.7325 7.9498 8.0076 8.2244 8.8196 8.9953 9.1131 9.1307 9.4065 9.4169 13.7902 13.8245 14.3455 14.4405 14.4506 14.5325 15.7005 15.7268 k = 0.0000 0.0000 0.7979 ( 3248 PWs) bands (ev): -15.7543 -15.7542 -2.8000 -2.7810 -1.0993 -1.0840 -0.9179 -0.9063 2.1955 2.2409 2.8594 2.8806 3.5815 3.6166 5.2966 5.3169 6.0676 6.1647 6.5716 6.7218 7.0522 7.3803 7.7649 7.9565 8.0119 8.2127 8.7824 8.9540 9.0874 9.0878 9.3950 9.4009 13.7637 13.8031 14.4371 14.5864 14.5980 14.6285 15.6808 15.7058 k = 0.0000 0.0000 0.8164 ( 3252 PWs) bands (ev): -15.7536 -15.7536 -2.8002 -2.7835 -1.0967 -1.0843 -0.9198 -0.9090 2.2476 2.2932 2.8459 2.8644 3.5332 3.5700 5.2943 5.3118 6.0669 6.1489 6.5802 6.7152 7.0709 7.3655 7.7966 7.9623 8.0190 8.2015 8.7469 8.9067 9.0558 9.0643 9.3847 9.3874 13.7379 13.7771 14.5369 14.7230 14.7246 14.7372 15.6575 15.6818 k = 0.0000 0.0000 0.8350 ( 3250 PWs) bands (ev): -15.7531 -15.7530 -2.8002 -2.7858 -1.0944 -1.0846 -0.9213 -0.9115 2.2973 2.3419 2.8341 2.8498 3.4877 3.5248 5.2932 5.3081 6.0668 6.1349 6.5890 6.7080 7.0909 7.3490 7.8270 7.9669 8.0286 8.1907 8.7144 8.8570 9.0320 9.0438 9.3758 9.3763 13.7142 13.7503 14.6398 14.8202 14.8492 14.8642 15.6311 15.6550 k = 0.0000 0.0000 0.8536 ( 3256 PWs) bands (ev): -15.7526 -15.7526 -2.8000 -2.7880 -1.0924 -1.0848 -0.9223 -0.9137 2.3438 2.3858 2.8239 2.8368 3.4462 3.4819 5.2929 5.3054 6.0672 6.1225 6.5983 6.7001 7.1120 7.3309 7.8554 7.9701 8.0404 8.1799 8.6863 8.8086 9.0138 9.0260 9.3672 9.3681 13.6935 13.7250 14.7421 14.9095 14.9639 14.9803 15.6016 15.6252 k = 0.0000 0.0000 0.8721 ( 3252 PWs) bands (ev): -15.7522 -15.7522 -2.7996 -2.7900 -1.0907 -1.0849 -0.9229 -0.9158 2.3863 2.4239 2.8154 2.8254 3.4103 3.4426 5.2933 5.3034 6.0685 6.1118 6.6079 6.6914 7.1338 7.3114 7.8813 7.9716 8.0540 8.1690 8.6637 8.7638 9.0001 9.0110 9.3601 9.3616 13.6765 13.7024 14.8399 14.9883 15.0669 15.0845 15.5688 15.5920 k = 0.0000 0.0000 0.8907 ( 3240 PWs) bands (ev): -15.7519 -15.7519 -2.7990 -2.7918 -1.0892 -1.0851 -0.9231 -0.9176 2.4234 2.4545 2.8085 2.8158 3.3814 3.4083 5.2942 5.3018 6.0705 6.1025 6.6180 6.6819 7.1562 7.2908 7.9043 7.9710 8.0689 8.1573 8.6478 8.7242 8.9900 8.9987 9.3548 9.3564 13.6636 13.6834 14.9293 15.0516 15.1580 15.1767 15.5324 15.5552 k = 0.0000 0.0000 0.9092 ( 3244 PWs) bands (ev): -15.7517 -15.7516 -2.7983 -2.7934 -1.0880 -1.0854 -0.9229 -0.9192 2.4537 2.4760 2.8036 2.8082 3.3612 3.3805 5.2953 5.3004 6.0734 6.0945 6.6285 6.6718 7.1789 7.2694 7.9239 7.9680 8.0847 8.1447 8.6396 8.6912 8.9833 8.9893 9.3512 9.3526 13.6552 13.6685 15.0058 15.0940 15.2373 15.2565 15.4927 15.5144 k = 0.0000 0.0000 0.9278 ( 3240 PWs) bands (ev): -15.7515 -15.7515 -2.7973 -2.7949 -1.0871 -1.0858 -0.9224 -0.9205 2.4754 2.4871 2.8008 2.8030 3.3507 3.3608 5.2966 5.2991 6.0772 6.0877 6.6393 6.6611 7.2018 7.2472 7.9402 7.9620 8.1006 8.1310 8.6397 8.6657 8.9800 8.9830 9.3493 9.3500 13.6514 13.6581 15.0647 15.1112 15.3035 15.3205 15.4530 15.4711 k = 0.0000 0.0000 0.9463 ( 3244 PWs) bands (ev): -15.7515 -15.7515 -2.7962 -2.7962 -1.0864 -1.0864 -0.9216 -0.9216 2.4869 2.4869 2.8006 2.8006 3.3506 3.3506 5.2978 5.2978 6.0819 6.0819 6.6502 6.6502 7.2246 7.2246 7.9528 7.9528 8.1162 8.1162 8.6484 8.6484 8.9799 8.9799 9.3489 9.3489 13.6524 13.6524 15.1010 15.1010 15.3444 15.3444 15.4375 15.4375 k = 0.0000 0.0000 0.9463 ( 3244 PWs) bands (ev): -15.7515 -15.7515 -2.7962 -2.7962 -1.0864 -1.0864 -0.9216 -0.9216 2.4869 2.4869 2.8006 2.8006 3.3506 3.3506 5.2978 5.2978 6.0819 6.0819 6.6502 6.6502 7.2246 7.2246 7.9528 7.9528 8.1162 8.1162 8.6484 8.6484 8.9799 8.9799 9.3489 9.3489 13.6524 13.6524 15.1010 15.1010 15.3444 15.3444 15.4375 15.4375 k =-0.0097 0.0156 0.9463 ( 3248 PWs) bands (ev): -15.7515 -15.7515 -2.7975 -2.7949 -1.0876 -1.0848 -0.9272 -0.9172 2.4821 2.4844 2.8007 2.8063 3.3482 3.3540 5.2999 5.3045 6.0681 6.0959 6.6351 6.6642 7.2207 7.2261 7.9505 7.9532 8.1072 8.1272 8.6459 8.6563 8.9535 9.0035 9.3172 9.3849 13.6478 13.6517 15.0945 15.1003 15.3275 15.3286 15.4272 15.4362 k =-0.0194 0.0311 0.9463 ( 3248 PWs) bands (ev): -15.7516 -15.7516 -2.7987 -2.7935 -1.0884 -1.0828 -0.9338 -0.9139 2.4698 2.4755 2.8071 2.8170 3.3468 3.3584 5.3104 5.3200 6.0543 6.1098 6.6188 6.6769 7.2144 7.2247 7.9462 7.9516 8.1001 8.1401 8.6491 8.6691 8.9259 9.0221 9.2920 9.4239 13.6380 13.6457 15.0804 15.0920 15.2797 15.2826 15.4059 15.4231 k =-0.0290 0.0467 0.9463 ( 3244 PWs) bands (ev): -15.7518 -15.7518 -2.7998 -2.7921 -1.0889 -1.0805 -0.9415 -0.9117 2.4504 2.4611 2.8198 2.8320 3.3466 3.3637 5.3289 5.3441 6.0407 6.1237 6.6016 6.6882 7.2061 7.2204 7.9401 7.9480 8.0953 8.1550 8.6576 8.6855 8.8989 9.0328 9.2766 9.4653 13.6231 13.6346 15.0561 15.0734 15.2079 15.2132 15.3745 15.3979 k =-0.0387 0.0622 0.9463 ( 3246 PWs) bands (ev): -15.7521 -15.7521 -2.8009 -2.7906 -1.0889 -1.0778 -0.9502 -0.9107 2.4244 2.4419 2.8383 2.8506 3.3476 3.3701 5.3544 5.3762 6.0273 6.1376 6.5836 6.6980 7.1962 7.2131 7.9321 7.9426 8.0927 8.1720 8.6709 8.7023 8.8756 9.0330 9.2743 9.5087 13.6032 13.6186 15.0120 15.0318 15.1304 15.1353 15.3340 15.3610 k =-0.0484 0.0778 0.9463 ( 3254 PWs) bands (ev): -15.7525 -15.7524 -2.8020 -2.7891 -1.0886 -1.0748 -0.9599 -0.9107 2.3930 2.4188 2.8622 2.8723 3.3498 3.3775 5.3860 5.4159 6.0141 6.1513 6.5652 6.7065 7.1848 7.2028 7.9224 7.9356 8.0926 8.1913 8.6883 8.7130 8.8625 9.0229 9.2858 9.5542 13.5785 13.5979 14.9291 14.9419 15.0732 15.0776 15.2854 15.3134 k =-0.0581 0.0933 0.9463 ( 3256 PWs) bands (ev): -15.7529 -15.7528 -2.8030 -2.7876 -1.0878 -1.0715 -0.9705 -0.9118 2.3572 2.3921 2.8907 2.8971 3.3534 3.3859 5.4226 5.4622 6.0012 6.1648 6.5464 6.7136 7.1723 7.1897 7.9109 7.9274 8.0951 8.2127 8.7083 8.7087 8.8684 9.0065 9.3089 9.6016 13.5495 13.5727 14.8104 14.8171 15.0286 15.0409 15.2300 15.2569 k =-0.0678 0.1089 0.9463 ( 3260 PWs) bands (ev): -15.7534 -15.7533 -2.8039 -2.7860 -1.0865 -1.0678 -0.9820 -0.9139 2.3178 2.3626 2.9236 2.9248 3.3584 3.3955 5.4629 5.5141 5.9887 6.1779 6.5278 6.7193 7.1587 7.1740 7.8977 7.9184 8.1006 8.2363 8.6883 8.7289 8.8942 8.9892 9.3408 9.6511 13.5163 13.5434 14.6727 14.6763 14.9883 15.0051 15.1689 15.1935 k =-0.0775 0.1245 0.9463 ( 3252 PWs) bands (ev): -15.7539 -15.7539 -2.8047 -2.7844 -1.0848 -1.0639 -0.9942 -0.9170 2.2758 2.3306 2.9553 2.9602 3.3648 3.4062 5.5057 5.5707 5.9765 6.1904 6.5096 6.7237 7.1442 7.1559 7.8828 7.9090 8.1093 8.2618 8.6584 8.7465 8.9334 8.9774 9.3791 9.7028 13.4795 13.5103 14.5244 14.5260 14.9468 14.9660 15.1040 15.1257 k =-0.0871 0.1400 0.9463 ( 3252 PWs) bands (ev): -15.7546 -15.7545 -2.8055 -2.7828 -1.0826 -1.0600 -1.0068 -0.9211 2.2318 2.2967 2.9887 3.0004 3.3726 3.4181 5.5497 5.6307 5.9647 6.2019 6.4924 6.7269 7.1288 7.1357 7.8662 7.8996 8.1215 8.2887 8.6240 8.7569 8.9775 8.9810 9.4228 9.7566 13.4393 13.4736 14.3693 14.3696 14.9020 14.9218 15.0371 15.0564 k =-0.0968 0.1556 0.9463 ( 3252 PWs) bands (ev): -15.7553 -15.7552 -2.8062 -2.7811 -1.0800 -1.0567 -1.0192 -0.9261 2.1867 2.2613 3.0246 3.0437 3.3819 3.4311 5.5935 5.6931 5.9535 6.2120 6.4765 6.7290 7.1124 7.1137 7.8480 7.8908 8.1379 8.3160 8.5875 8.7584 8.9935 9.0348 9.4711 9.8129 13.3961 13.4338 14.2090 14.2099 14.8526 14.8712 14.9705 14.9889 k =-0.0968 0.1556 0.9463 ( 3252 PWs) bands (ev): -15.7553 -15.7552 -2.8062 -2.7811 -1.0800 -1.0567 -1.0192 -0.9261 2.1867 2.2613 3.0246 3.0437 3.3819 3.4311 5.5935 5.6931 5.9535 6.2120 6.4765 6.7290 7.1124 7.1137 7.8480 7.8908 8.1379 8.3160 8.5875 8.7584 8.9935 9.0348 9.4711 9.8129 13.3961 13.4338 14.2090 14.2099 14.8526 14.8712 14.9705 14.9889 k =-0.1038 0.1667 0.9332 ( 3247 PWs) bands (ev): -15.7558 -15.7557 -2.8067 -2.7799 -1.0789 -1.0552 -1.0267 -0.9295 2.1534 2.2350 3.0468 3.0708 3.3961 3.4466 5.6243 5.7385 5.9462 6.2184 6.4665 6.7297 7.0878 7.1092 7.8292 7.8887 8.1521 8.3341 8.5621 8.7564 9.0129 9.0819 9.5085 9.8546 13.3646 13.4047 14.0872 14.0887 14.8088 14.8312 14.9240 14.9431 k =-0.1107 0.1779 0.9200 ( 3247 PWs) bands (ev): -15.7565 -15.7564 -2.8071 -2.7787 -1.0816 -1.0532 -1.0320 -0.9317 2.1196 2.2084 3.0589 3.0867 3.4257 3.4741 5.6541 5.7837 5.9401 6.2241 6.4579 6.7293 7.0629 7.1039 7.8025 7.8922 8.1680 8.3494 8.5389 8.7548 9.0396 9.1388 9.5482 9.8971 13.3338 13.3766 13.9561 13.9581 14.7559 14.7900 14.8774 14.8978 k =-0.1177 0.1891 0.9069 ( 3245 PWs) bands (ev): -15.7572 -15.7570 -2.8075 -2.7776 -1.0890 -1.0492 -1.0360 -0.9321 2.0857 2.1816 3.0608 3.0922 3.4693 3.5131 5.6828 5.8278 5.9358 6.2290 6.4512 6.7279 7.0383 7.0976 7.7707 7.8982 8.1856 8.3614 8.5183 8.7551 9.0745 9.2033 9.5897 9.9403 13.3037 13.3490 13.8183 13.8210 14.6984 14.7469 14.8295 14.8522 k =-0.1246 0.2003 0.8937 ( 3244 PWs) bands (ev): -15.7579 -15.7578 -2.8078 -2.7766 -1.0999 -1.0442 -1.0394 -0.9303 2.0521 2.1551 3.0543 3.0899 3.5237 3.5616 5.7101 5.8681 5.9356 6.2330 6.4465 6.7252 7.0142 7.0905 7.7351 7.9053 8.2048 8.3700 8.5010 8.7585 9.1170 9.2743 9.6327 9.9839 13.2732 13.3206 13.6765 13.6808 14.6381 14.7007 14.7812 14.8074 k =-0.1316 0.2114 0.8805 ( 3244 PWs) bands (ev): -15.7587 -15.7586 -2.8080 -2.7756 -1.1127 -1.0476 -1.0340 -0.9262 2.0192 2.1289 3.0420 3.0822 3.5854 3.6173 5.7359 5.8965 5.9472 6.2362 6.4439 6.7214 6.9906 7.0833 7.6965 7.9123 8.2249 8.3758 8.4879 8.7657 9.1665 9.3513 9.6770 10.0275 13.2394 13.2871 13.5354 13.5438 14.5761 14.6499 14.7349 14.7640 k =-0.1385 0.2226 0.8674 ( 3238 PWs) bands (ev): -15.7595 -15.7594 -2.8083 -2.7748 -1.1267 -1.0550 -1.0250 -0.9199 1.9872 2.1033 3.0260 3.0711 3.6520 3.6781 5.7601 5.9060 5.9773 6.2387 6.4434 6.7166 6.9674 7.0761 7.6556 7.9182 8.2448 8.3796 8.4805 8.7767 9.2225 9.4334 9.7222 10.0708 13.1927 13.2343 13.4058 13.4262 14.5135 14.5941 14.6926 14.7223 k =-0.1455 0.2338 0.8542 ( 3234 PWs) bands (ev): -15.7604 -15.7602 -2.8085 -2.7742 -1.1412 -1.0639 -1.0148 -0.9120 1.9562 2.0783 3.0078 3.0577 3.7217 3.7424 5.7826 5.9079 6.0142 6.2406 6.4452 6.7108 6.9448 7.0694 7.6131 7.9221 8.2623 8.3829 8.4805 8.7911 9.2842 9.5203 9.7681 10.1135 13.1093 13.1376 13.3131 13.3537 14.4511 14.5345 14.6546 14.6826 k =-0.1524 0.2449 0.8411 ( 3236 PWs) bands (ev): -15.7613 -15.7611 -2.8087 -2.7738 -1.1561 -1.0740 -1.0036 -0.9025 1.9263 2.0541 2.9883 3.0428 3.7933 3.8088 5.8033 5.9088 6.0509 6.2421 6.4493 6.7043 6.9229 7.0632 7.5696 7.9234 8.2757 8.3870 8.4895 8.8085 9.3512 9.6112 9.8144 10.1550 12.9833 13.0043 13.2660 13.3195 14.3899 14.4734 14.6203 14.6446 k =-0.1594 0.2561 0.8279 ( 3230 PWs) bands (ev): -15.7622 -15.7621 -2.8089 -2.7736 -1.1711 -1.0849 -0.9914 -0.8920 1.8976 2.0308 2.9683 3.0271 3.8659 3.8763 5.8220 5.9103 6.0855 6.2434 6.4559 6.6975 6.9017 7.0577 7.5257 7.9215 8.2843 8.3920 8.5087 8.8283 9.4228 9.7057 9.8607 10.1948 12.8381 12.8571 13.2421 13.3019 14.3309 14.4125 14.5888 14.6085 k =-0.1663 0.2673 0.8148 ( 3228 PWs) bands (ev): -15.7632 -15.7630 -2.8092 -2.7736 -1.1861 -1.0964 -0.9786 -0.8807 1.8703 2.0083 2.9482 3.0109 3.9386 3.9442 5.8385 5.9131 6.1166 6.2448 6.4654 6.6907 6.8815 7.0529 7.4821 7.9163 8.2894 8.3976 8.5376 8.8501 9.4983 9.8031 9.9069 10.2324 12.6873 12.7064 13.2290 13.2926 14.2749 14.3533 14.5598 14.5738 k =-0.1733 0.2785 0.8016 ( 3224 PWs) bands (ev): -15.7641 -15.7639 -2.8094 -2.7738 -1.2010 -1.1083 -0.9650 -0.8688 1.8443 1.9868 2.9282 2.9946 4.0108 4.0118 5.8524 5.9177 6.1431 6.2468 6.4781 6.6843 6.8622 7.0486 7.4393 7.9077 8.2933 8.4036 8.5742 8.8735 9.5768 9.9027 9.9529 10.2669 12.5359 12.5562 13.2229 13.2889 14.2225 14.2966 14.5328 14.5406 k =-0.1802 0.2896 0.7884 ( 3224 PWs) bands (ev): -15.7651 -15.7649 -2.8096 -2.7742 -1.2157 -1.1203 -0.9508 -0.8565 1.8197 1.9662 2.9087 2.9782 4.0782 4.0822 5.8637 5.9244 6.1637 6.2501 6.4943 6.6787 6.8440 7.0446 7.3981 7.8960 8.2978 8.4101 8.6163 8.8980 9.6570 9.9952 10.0074 10.2976 12.3867 12.4091 13.2224 13.2898 14.1744 14.2429 14.5071 14.5091 k =-0.1872 0.3008 0.7753 ( 3232 PWs) bands (ev): -15.7660 -15.7658 -2.8099 -2.7747 -1.2300 -1.1323 -0.9362 -0.8440 1.7966 1.9466 2.8898 2.9620 4.1432 4.1519 5.8724 5.9330 6.1769 6.2561 6.5143 6.6744 6.8271 7.0408 7.3590 7.8816 8.3040 8.4175 8.6619 8.9234 9.7372 10.0430 10.1073 10.3236 12.2416 12.2669 13.2271 13.2948 14.1309 14.1922 14.4762 14.4852 k =-0.1941 0.3120 0.7621 ( 3234 PWs) bands (ev): -15.7669 -15.7667 -2.8102 -2.7755 -1.2439 -1.1442 -0.9212 -0.8315 1.7749 1.9281 2.8716 2.9462 4.2061 4.2196 5.8791 5.9429 6.1821 6.2653 6.5378 6.6714 6.8115 7.0368 7.3227 7.8649 8.3124 8.4263 8.7098 8.9492 9.8148 10.0898 10.2085 10.3447 12.1025 12.1317 13.2369 13.3032 14.0924 14.1439 14.4443 14.4639 k =-0.2011 0.3231 0.7490 ( 3234 PWs) bands (ev): -15.7678 -15.7676 -2.8104 -2.7765 -1.2572 -1.1559 -0.9060 -0.8191 1.7546 1.9107 2.8542 2.9308 4.2666 4.2846 5.8844 5.9534 6.1808 6.2768 6.5643 6.6702 6.7973 7.0323 7.2899 7.8463 8.3233 8.4366 8.7586 8.9753 9.8860 10.1396 10.3024 10.3651 11.9715 12.0052 13.2516 13.3145 14.0588 14.0966 14.4109 14.4437 k =-0.2080 0.3343 0.7358 ( 3231 PWs) bands (ev): -15.7687 -15.7685 -2.8107 -2.7775 -1.2700 -1.1672 -0.8907 -0.8069 1.7359 1.8944 2.8377 2.9160 4.3241 4.3467 5.8888 5.9640 6.1748 6.2891 6.5932 6.6709 6.7850 7.0269 7.2610 7.8264 8.3370 8.4488 8.8074 9.0011 9.9455 10.1949 10.3456 10.4263 11.8508 11.8895 13.2708 13.3276 14.0292 14.0483 14.3711 14.3889 k =-0.2150 0.3455 0.7227 ( 3231 PWs) bands (ev): -15.7696 -15.7693 -2.8110 -2.7787 -1.2821 -1.1780 -0.8755 -0.7953 1.7186 1.8791 2.8222 2.9018 4.3783 4.4052 5.8927 5.9740 6.1660 6.3015 6.6227 6.6736 6.7751 7.0203 7.2367 7.8055 8.3534 8.4629 8.8555 9.0264 9.9892 10.2547 10.3485 10.5184 11.7433 11.7866 13.2937 13.3410 13.9863 14.0113 14.2840 14.3377 k =-0.2219 0.3566 0.7095 ( 3227 PWs) bands (ev): -15.7704 -15.7701 -2.8112 -2.7800 -1.2935 -1.1883 -0.8605 -0.7841 1.7028 1.8650 2.8078 2.8884 4.4290 4.4599 5.8963 5.9830 6.1554 6.3133 6.6494 6.6796 6.7696 7.0125 7.2173 7.7839 8.3726 8.4792 8.9021 9.0508 10.0155 10.2936 10.3646 10.6094 11.6519 11.6982 13.3186 13.3521 13.9200 13.9918 14.2079 14.2945 k =-0.2289 0.3678 0.6964 ( 3228 PWs) bands (ev): -15.7711 -15.7709 -2.8115 -2.7814 -1.3041 -1.1979 -0.8458 -0.7737 1.6885 1.8521 2.7945 2.8758 4.4757 4.5103 5.8997 5.9907 6.1440 6.3246 6.6663 6.6905 6.7723 7.0037 7.2026 7.7619 8.3946 8.4975 8.9465 9.0739 10.0253 10.2771 10.4278 10.6944 11.5802 11.6254 13.3407 13.3584 13.8463 13.9777 14.1553 14.2540 k =-0.2358 0.3790 0.6832 ( 3226 PWs) bands (ev): -15.7718 -15.7716 -2.8117 -2.7827 -1.3138 -1.2068 -0.8317 -0.7641 1.6756 1.8403 2.7822 2.8641 4.5184 4.5563 5.9030 5.9967 6.1328 6.3352 6.6739 6.7000 6.7884 6.9944 7.1921 7.7397 8.4193 8.5181 8.9880 9.0952 10.0205 10.2378 10.5023 10.7710 11.5310 11.5688 13.3449 13.3626 13.7806 13.9681 14.1228 14.2228 k =-0.2428 0.3902 0.6700 ( 3224 PWs) bands (ev): -15.7725 -15.7722 -2.8118 -2.7841 -1.3226 -1.2150 -0.8183 -0.7555 1.6641 1.8298 2.7712 2.8534 4.5568 4.5976 5.9063 6.0006 6.1226 6.3451 6.6772 6.7033 6.8162 6.9854 7.1853 7.7177 8.4466 8.5405 9.0261 9.1142 10.0030 10.1870 10.5743 10.8382 11.5049 11.5290 13.3221 13.3575 13.7420 13.9642 14.1072 14.2049 k =-0.2497 0.4013 0.6569 ( 3219 PWs) bands (ev): -15.7730 -15.7728 -2.8120 -2.7854 -1.3305 -1.2223 -0.8058 -0.7479 1.6540 1.8204 2.7614 2.8438 4.5908 4.6340 5.9097 6.0020 6.1139 6.3544 6.6771 6.7047 6.8492 6.9777 7.1812 7.6959 8.4760 8.5647 9.0601 9.1306 9.9752 10.1289 10.6382 10.8969 11.4914 11.5143 13.2770 13.3295 13.7428 13.9678 14.1070 14.2002 k =-0.2567 0.4125 0.6437 ( 3213 PWs) bands (ev): -15.7736 -15.7733 -2.8121 -2.7867 -1.3375 -1.2288 -0.7943 -0.7414 1.6454 1.8123 2.7529 2.8353 4.6203 4.6655 5.9132 6.0010 6.1071 6.3630 6.6741 6.7067 6.8823 6.9725 7.1789 7.6750 8.5071 8.5898 9.0896 9.1439 9.9405 10.0674 10.6902 10.9494 11.4792 11.5301 13.2145 13.2841 13.7776 13.9795 14.1195 14.2076 k =-0.2637 0.4237 0.6306 ( 3215 PWs) bands (ev): -15.7740 -15.7737 -2.8121 -2.7878 -1.3434 -1.2343 -0.7840 -0.7360 1.6381 1.8053 2.7456 2.8279 4.6453 4.6920 5.9167 5.9977 6.1024 6.3708 6.6695 6.7091 6.9109 6.9725 7.1779 7.6552 8.5388 8.6151 9.1140 9.1537 9.9027 10.0061 10.7289 10.9975 11.4756 11.5607 13.1454 13.2295 13.8345 13.9969 14.1399 14.2274 k =-0.2706 0.4348 0.6174 ( 3213 PWs) bands (ev): -15.7744 -15.7741 -2.8122 -2.7888 -1.3483 -1.2389 -0.7751 -0.7318 1.6321 1.7997 2.7396 2.8219 4.6658 4.7136 5.9204 5.9930 6.0994 6.3777 6.6645 6.7113 6.9284 6.9823 7.1773 7.6373 8.5699 8.6393 9.1332 9.1600 9.8659 9.9487 10.7557 11.0406 11.4806 11.5965 13.0791 13.1725 13.9044 14.0163 14.1619 14.2603 k =-0.2776 0.4460 0.6043 ( 3215 PWs) bands (ev): -15.7746 -15.7744 -2.8122 -2.7896 -1.3521 -1.2425 -0.7679 -0.7287 1.6275 1.7952 2.7350 2.8171 4.6818 4.7303 5.9239 5.9877 6.0977 6.3834 6.6599 6.7132 6.9345 7.0007 7.1768 7.6220 8.5984 8.6607 9.1472 9.1631 9.8340 9.8986 10.7732 11.0761 11.4918 11.6308 13.0227 13.1191 13.9808 14.0345 14.1811 14.3023 k =-0.2845 0.4572 0.5911 ( 3213 PWs) bands (ev): -15.7749 -15.7746 -2.8122 -2.7902 -1.3548 -1.2450 -0.7624 -0.7267 1.6242 1.7921 2.7316 2.8137 4.6932 4.7422 5.9271 5.9827 6.0968 6.3877 6.6563 6.7144 6.9358 7.0190 7.1762 7.6101 8.6220 8.6777 9.1561 9.1640 9.8104 9.8588 10.7841 11.1020 11.5055 11.6584 12.9805 13.0748 14.0487 14.0568 14.1969 14.3208 k =-0.2915 0.4683 0.5779 ( 3213 PWs) bands (ev): -15.7750 -15.7747 -2.8122 -2.7906 -1.3565 -1.2466 -0.7590 -0.7255 1.6223 1.7902 2.7296 2.8116 4.7000 4.7493 5.9294 5.9791 6.0964 6.3904 6.6539 6.7152 6.9360 7.0317 7.1756 7.6026 8.6377 8.6886 9.1605 9.1642 9.7967 9.8325 10.7901 11.1176 11.5166 11.6759 12.9548 13.0451 14.0587 14.1176 14.2116 14.3089 k =-0.2984 0.4795 0.5648 ( 3217 PWs) bands (ev): -15.7750 -15.7747 -2.8122 -2.7907 -1.3570 -1.2471 -0.7579 -0.7252 1.6216 1.7895 2.7289 2.8109 4.7023 4.7517 5.9303 5.9778 6.0962 6.3913 6.6531 6.7154 6.9360 7.0361 7.1754 7.6000 8.6433 8.6924 9.1612 9.1647 9.7925 9.8231 10.7920 11.1227 11.5209 11.6819 12.9463 13.0346 14.0620 14.1418 14.2219 14.2985 k =-0.2984 0.4795 0.5648 ( 3217 PWs) bands (ev): -15.7750 -15.7747 -2.8122 -2.7907 -1.3570 -1.2471 -0.7579 -0.7252 1.6216 1.7895 2.7289 2.8109 4.7023 4.7517 5.9303 5.9778 6.0962 6.3913 6.6531 6.7154 6.9360 7.0361 7.1754 7.6000 8.6433 8.6924 9.1612 9.1647 9.7925 9.8231 10.7920 11.1227 11.5209 11.6819 12.9463 13.0346 14.0620 14.1418 14.2219 14.2985 k =-0.2915 0.4684 0.5517 ( 3217 PWs) bands (ev): -15.7745 -15.7743 -2.8111 -2.7926 -1.3482 -1.2487 -0.7511 -0.7222 1.6403 1.8099 2.6505 2.7400 4.7468 4.8081 5.9436 5.9741 6.1346 6.3676 6.6506 6.7304 6.9534 7.0426 7.1516 7.6019 8.6807 8.7152 9.0744 9.0870 9.8006 9.8420 10.7059 11.0307 11.4237 11.5889 12.9725 13.0570 14.1048 14.2180 14.2994 14.3579 k =-0.2845 0.4572 0.5385 ( 3213 PWs) bands (ev): -15.7741 -15.7739 -2.8097 -2.7943 -1.3390 -1.2504 -0.7438 -0.7188 1.6587 1.8302 2.5737 2.6712 4.7870 4.8615 5.9562 5.9684 6.1778 6.3440 6.6471 6.7462 6.9713 7.0516 7.1303 7.6058 8.7207 8.7345 8.9958 9.0134 9.8092 9.8635 10.6234 10.9405 11.3280 11.4967 13.0007 13.0811 14.1382 14.2742 14.3727 14.4248 k =-0.2776 0.4461 0.5254 ( 3215 PWs) bands (ev): -15.7738 -15.7736 -2.8080 -2.7959 -1.3292 -1.2521 -0.7360 -0.7151 1.6761 1.8494 2.5000 2.6058 4.8225 4.9114 5.9607 5.9677 6.2260 6.3205 6.6427 6.7631 6.9896 7.0629 7.1116 7.6115 8.7408 8.7631 8.9364 8.9453 9.8160 9.8860 10.5457 10.8526 11.2340 11.4056 13.0308 13.1067 14.1648 14.3088 14.4248 14.4701 k =-0.2707 0.4349 0.5122 ( 3223 PWs) bands (ev): -15.7736 -15.7734 -2.8059 -2.7972 -1.3191 -1.2538 -0.7281 -0.7113 1.6912 1.8655 2.4317 2.5453 4.8532 4.9574 5.9509 5.9779 6.2788 6.2971 6.6378 6.7813 7.0083 7.0762 7.0958 7.6190 8.7182 8.8066 8.8850 8.9133 9.8187 9.9081 10.4745 10.7679 11.1419 11.3157 13.0628 13.1342 14.1867 14.3301 14.4610 14.4983 k =-0.2637 0.4238 0.4991 ( 3223 PWs) bands (ev): -15.7735 -15.7733 -2.8034 -2.7981 -1.3086 -1.2554 -0.7202 -0.7074 1.7024 1.8755 2.3721 2.4916 4.8789 4.9989 5.9390 5.9860 6.2738 6.3356 6.6327 6.8007 7.0275 7.0832 7.0915 7.6281 8.6686 8.8206 8.8638 8.9252 9.8149 9.9284 10.4119 10.6873 11.0519 11.2273 13.0966 13.1634 14.2057 14.3455 14.4923 14.5250 k =-0.2568 0.4126 0.4860 ( 3235 PWs) bands (ev): -15.7734 -15.7732 -2.8005 -2.7986 -1.2977 -1.2568 -0.7123 -0.7034 1.7074 1.8748 2.3262 2.4472 4.8998 5.0358 5.9253 5.9917 6.2507 6.3946 6.6283 6.8207 7.0470 7.0748 7.1087 7.6387 8.6099 8.7778 8.9094 8.9545 9.8021 9.9452 10.3597 10.6121 10.9641 11.1405 13.1323 13.1946 14.2232 14.3587 14.5204 14.5487 k =-0.2498 0.4015 0.4728 ( 3243 PWs) bands (ev): -15.7735 -15.7733 -2.7987 -2.7971 -1.2865 -1.2579 -0.7047 -0.6996 1.7039 1.8584 2.2990 2.4145 4.9161 5.0677 5.9100 5.9942 6.2280 6.4520 6.6274 6.8407 7.0616 7.0769 7.1279 7.6510 8.5518 8.7392 8.9609 8.9920 9.7785 9.9566 10.3197 10.5440 10.8790 11.0554 13.1698 13.2277 14.2400 14.3717 14.5439 14.5676 k =-0.2429 0.3903 0.4597 ( 3241 PWs) bands (ev): -15.7737 -15.7735 -2.7983 -2.7932 -1.2748 -1.2586 -0.6974 -0.6961 1.6900 1.8243 2.2930 2.3959 4.9281 5.0946 5.8933 5.9930 6.2060 6.4985 6.6380 6.8594 7.0639 7.0982 7.1492 7.6648 8.4982 8.7086 9.0150 9.0339 9.7435 9.9597 10.2919 10.4854 10.7968 10.9723 13.2092 13.2628 14.2568 14.3856 14.5608 14.5795 k =-0.2360 0.3792 0.4466 ( 3245 PWs) bands (ev): -15.7739 -15.7737 -2.7974 -2.7888 -1.2629 -1.2590 -0.6927 -0.6906 1.6647 1.7746 2.3060 2.3923 4.9361 5.1165 5.8754 5.9877 6.1849 6.5209 6.6719 6.8755 7.0674 7.1263 7.1731 7.6802 8.4507 8.6863 9.0712 9.0787 9.6984 9.9518 10.2747 10.4387 10.7181 10.8913 13.2505 13.3000 14.2739 14.4008 14.5688 14.5820 k =-0.2290 0.3680 0.4334 ( 3245 PWs) bands (ev): -15.7742 -15.7741 -2.7959 -2.7839 -1.2588 -1.2505 -0.6898 -0.6843 1.6286 1.7140 2.3337 2.4033 4.9405 5.1334 5.8566 5.9777 6.1652 6.5204 6.7261 6.8884 7.0742 7.1596 7.1999 7.6973 8.4102 8.6726 9.1252 9.1291 9.6456 9.9308 10.2653 10.4057 10.6436 10.8125 13.2937 13.3394 14.2913 14.4176 14.5659 14.5729 k =-0.2221 0.3568 0.4203 ( 3245 PWs) bands (ev): -15.7747 -15.7746 -2.7938 -2.7785 -1.2581 -1.2377 -0.6872 -0.6785 1.5831 1.6464 2.3721 2.4275 4.9416 5.1455 5.8372 5.9633 6.1470 6.5082 6.7876 6.8982 7.0836 7.1980 7.2302 7.7163 8.3774 8.6675 9.1725 9.1886 9.5877 9.8968 10.2604 10.3860 10.5742 10.7364 13.3386 13.3809 14.3085 14.4363 14.5497 14.5506 k =-0.2151 0.3457 0.4072 ( 3237 PWs) bands (ev): -15.7752 -15.7751 -2.7912 -2.7725 -1.2568 -1.2245 -0.6851 -0.6733 1.5303 1.5747 2.4184 2.4628 4.9398 5.1530 5.8174 5.9447 6.1301 6.4901 6.8488 6.9059 7.0945 7.2410 7.2645 7.7373 8.3527 8.6712 9.2194 9.2493 9.5275 9.8518 10.2566 10.3772 10.5115 10.6631 13.3853 13.4245 14.3237 14.4568 14.5112 14.5224 k =-0.2082 0.3345 0.3940 ( 3243 PWs) bands (ev): -15.7758 -15.7757 -2.7880 -2.7662 -1.2548 -1.2108 -0.6835 -0.6686 1.4723 1.5008 2.4708 2.5074 4.9354 5.1559 5.7974 5.9226 6.1146 6.4682 6.9060 6.9124 7.1061 7.2872 7.3028 7.7605 8.3365 8.6836 9.2635 9.3108 9.4680 9.7990 10.2508 10.3757 10.4577 10.5931 13.4335 13.4701 14.3309 14.4539 14.4810 14.4857 k =-0.2013 0.3234 0.3809 ( 3247 PWs) bands (ev): -15.7765 -15.7764 -2.7843 -2.7594 -1.2521 -1.1966 -0.6824 -0.6646 1.4105 1.4257 2.5281 2.5595 4.9287 5.1547 5.7775 5.8979 6.0999 6.4438 6.9186 6.9570 7.1180 7.3354 7.3442 7.7860 8.3296 8.7046 9.2978 9.3725 9.4165 9.7414 10.2397 10.3781 10.4157 10.5270 13.4828 13.5174 14.3117 14.3808 14.4566 14.5053 k =-0.1943 0.3122 0.3678 ( 3247 PWs) bands (ev): -15.7773 -15.7772 -2.7800 -2.7522 -1.2487 -1.1819 -0.6818 -0.6611 1.3463 1.3503 2.5897 2.6180 4.9200 5.1494 5.7577 5.8716 6.0859 6.4176 6.9253 7.0013 7.1297 7.3840 7.3872 7.8134 8.3326 8.7343 9.2966 9.3985 9.4336 9.6814 10.2221 10.3818 10.3869 10.4656 13.5325 13.5660 14.2470 14.2894 14.4531 14.5323 k =-0.1874 0.3011 0.3546 ( 3245 PWs) bands (ev): -15.7781 -15.7780 -2.7752 -2.7446 -1.2443 -1.1666 -0.6817 -0.6581 1.2749 1.2805 2.6550 2.6817 4.9094 5.1403 5.7384 5.8445 6.0723 6.3902 6.9327 7.0391 7.1412 7.4294 7.4317 7.8421 8.3465 8.7725 9.2545 9.4185 9.4927 9.6208 10.2010 10.3692 10.3846 10.4101 13.5811 13.6148 14.1494 14.1829 14.4620 14.5617 k =-0.1804 0.2899 0.3415 ( 3245 PWs) bands (ev): -15.7790 -15.7790 -2.7699 -2.7368 -1.2391 -1.1507 -0.6822 -0.6556 1.2000 1.2138 2.7235 2.7499 4.8971 5.1276 5.7197 5.8174 6.0592 6.3622 6.9412 7.0712 7.1522 7.4686 7.4773 7.8708 8.3715 8.8184 9.2039 9.4434 9.5443 9.5650 10.1822 10.3586 10.3610 10.3863 13.6255 13.6617 14.0374 14.0669 14.4543 14.5021 k =-0.1735 0.2788 0.3284 ( 3247 PWs) bands (ev): -15.7800 -15.7799 -2.7642 -2.7287 -1.2329 -1.1342 -0.6831 -0.6536 1.1257 1.1468 2.7948 2.8220 4.8835 5.1115 5.7017 5.7909 6.0463 6.3340 6.9508 7.0987 7.1628 7.5032 7.5197 7.8980 8.4069 8.8712 9.1564 9.4616 9.5016 9.6000 10.1702 10.3227 10.3518 10.3837 13.6571 13.7009 13.9285 13.9507 14.4101 14.4173 k =-0.1666 0.2676 0.3152 ( 3253 PWs) bands (ev): -15.7810 -15.7810 -2.7581 -2.7204 -1.2258 -1.1169 -0.6845 -0.6520 1.0523 1.0798 2.8687 2.8973 4.8686 5.0923 5.6847 5.7656 6.0339 6.3062 6.9616 7.1225 7.1728 7.5324 7.5585 7.9225 8.4496 8.9284 9.1171 9.4491 9.4696 9.6405 10.1667 10.2970 10.3482 10.3770 13.6493 13.7086 13.8525 13.8595 14.3465 14.3589 k =-0.1596 0.2565 0.3021 ( 3241 PWs) bands (ev): -15.7820 -15.7820 -2.7516 -2.7121 -1.2175 -1.0990 -0.6863 -0.6507 0.9798 1.0132 2.9448 2.9755 4.8526 5.0703 5.6687 5.7419 6.0218 6.2791 6.9734 7.1431 7.1822 7.5562 7.5933 7.9439 8.4938 8.9853 9.0916 9.4058 9.4664 9.6685 10.1694 10.2871 10.3497 10.3658 13.5771 13.6387 13.8340 13.8371 14.2935 14.3187 k =-0.1527 0.2453 0.2890 ( 3235 PWs) bands (ev): -15.7831 -15.7831 -2.7448 -2.7037 -1.2082 -1.0803 -0.6885 -0.6496 0.9085 0.9470 3.0227 3.0559 4.8358 5.0460 5.6539 5.7202 6.0101 6.2530 6.9863 7.1611 7.1911 7.5747 7.6239 7.9622 8.5307 9.0321 9.0872 9.3812 9.4532 9.6814 10.1719 10.2936 10.3513 10.3613 13.4742 13.5309 13.8356 13.8382 14.2654 14.2980 k =-0.1457 0.2342 0.2758 ( 3235 PWs) bands (ev): -15.7843 -15.7843 -2.7378 -2.6953 -1.1977 -1.0608 -0.6910 -0.6487 0.8384 0.8816 3.1022 3.1383 4.8183 5.0195 5.6404 5.7006 5.9990 6.2282 7.0000 7.1769 7.1992 7.5883 7.6505 7.9782 8.5512 9.0536 9.1108 9.3901 9.4322 9.6789 10.1666 10.3013 10.3480 10.3879 13.3673 13.4199 13.8233 13.8274 14.2681 14.3021 k =-0.1388 0.2230 0.2627 ( 3235 PWs) bands (ev): -15.7854 -15.7854 -2.7306 -2.6870 -1.1862 -1.0406 -0.6938 -0.6479 0.7695 0.8170 3.1827 3.2221 4.8003 4.9914 5.6284 5.6833 5.9884 6.2049 7.0145 7.1908 7.2066 7.5972 7.6734 7.9925 8.5517 9.0427 9.1636 9.4058 9.4388 9.6636 10.1502 10.2799 10.3836 10.4305 13.2645 13.3132 13.7880 13.8027 14.2992 14.3307 k =-0.1319 0.2119 0.2496 ( 3227 PWs) bands (ev): -15.7866 -15.7866 -2.7233 -2.6790 -1.1734 -1.0197 -0.6968 -0.6471 0.7020 0.7534 3.2640 3.3068 4.7821 4.9622 5.6179 5.6683 5.9784 6.1833 7.0295 7.2028 7.2133 7.6017 7.6931 8.0059 8.5351 9.0088 9.2392 9.3776 9.5170 9.6390 10.1243 10.2434 10.4400 10.4859 13.1687 13.2132 13.7382 13.7645 14.3505 14.3785 k =-0.1249 0.2007 0.2364 ( 3229 PWs) bands (ev): -15.7878 -15.7877 -2.7158 -2.6711 -1.1595 -0.9981 -0.6998 -0.6463 0.6359 0.6908 3.3456 3.3920 4.7639 4.9321 5.6091 5.6559 5.9691 6.1635 7.0450 7.2131 7.2193 7.6020 7.7099 8.0187 8.5072 8.9634 9.3110 9.3676 9.6050 9.6158 10.0916 10.1985 10.5073 10.5506 13.0811 13.1212 13.6805 13.7176 14.4148 14.4397 k =-0.1180 0.1896 0.2233 ( 3229 PWs) bands (ev): -15.7889 -15.7889 -2.7083 -2.6636 -1.1445 -0.9759 -0.7029 -0.6452 0.5712 0.6293 3.4270 3.4771 4.7459 4.9018 5.6020 5.6459 5.9604 6.1457 7.0606 7.2219 7.2244 7.5981 7.7246 8.0313 8.4730 8.9124 9.2991 9.4488 9.5734 9.7190 10.0561 10.1466 10.5818 10.6217 13.0022 13.0375 13.6188 13.6656 14.4871 14.5097 k =-0.1110 0.1784 0.2102 ( 3231 PWs) bands (ev): -15.7901 -15.7900 -2.7009 -2.6565 -1.1285 -0.9532 -0.7057 -0.6439 0.5080 0.5690 3.5077 3.5616 4.7284 4.8717 5.5967 5.6383 5.9524 6.1298 7.0763 7.2289 7.2292 7.5903 7.7376 8.0440 8.4358 8.8587 9.2679 9.5371 9.5483 9.8315 10.0243 10.0889 10.6613 10.6975 12.9320 12.9623 13.5551 13.6107 14.5649 14.5856 k =-0.1041 0.1673 0.1970 ( 3221 PWs) bands (ev): -15.7912 -15.7912 -2.6935 -2.6497 -1.1114 -0.9302 -0.7082 -0.6422 0.4465 0.5099 3.5872 3.6447 4.7116 4.8421 5.5934 5.6333 5.9453 6.1159 7.0917 7.2326 7.2351 7.5786 7.7494 8.0566 8.3977 8.8036 9.2356 9.5000 9.6329 9.9453 10.0102 10.0292 10.7443 10.7765 12.8703 12.8956 13.4904 13.5537 14.6461 14.6655 k =-0.0972 0.1561 0.1839 ( 3225 PWs) bands (ev): -15.7923 -15.7923 -2.6862 -2.6435 -1.0934 -0.9073 -0.7099 -0.6400 0.3865 0.4521 3.6648 3.7259 4.6958 4.8134 5.5919 5.6308 5.9389 6.1040 7.1067 7.2357 7.2397 7.5633 7.7607 8.0690 8.3602 8.7480 9.2039 9.4628 9.6762 9.9513 10.0381 10.0762 10.8298 10.8577 12.8165 12.8370 13.4251 13.4953 14.7297 14.7479 k =-0.0902 0.1450 0.1707 ( 3225 PWs) bands (ev): -15.7934 -15.7933 -2.6791 -2.6377 -1.0746 -0.8849 -0.7105 -0.6372 0.3284 0.3956 3.7399 3.8043 4.6813 4.7861 5.5924 5.6308 5.9335 6.0940 7.1208 7.2383 7.2431 7.5446 7.7720 8.0810 8.3244 8.6923 9.1734 9.4260 9.6688 9.8824 10.1171 10.1970 10.9168 10.9402 12.7701 12.7861 13.3594 13.4353 14.8144 14.8317 k =-0.0833 0.1338 0.1576 ( 3233 PWs) bands (ev): -15.7944 -15.7944 -2.6722 -2.6325 -1.0551 -0.8638 -0.7093 -0.6336 0.2720 0.3405 3.8118 3.8791 4.6683 4.7606 5.5949 5.6333 5.9290 6.0858 7.1340 7.2405 7.2453 7.5227 7.7836 8.0920 8.2910 8.6368 9.1444 9.3900 9.6303 9.8099 10.2276 10.3206 11.0046 11.0232 12.7304 12.7424 13.2931 13.3734 14.8993 14.9158 k =-0.0763 0.1227 0.1445 ( 3233 PWs) bands (ev): -15.7954 -15.7953 -2.6655 -2.6279 -1.0352 -0.8451 -0.7051 -0.6291 0.2176 0.2870 3.8798 3.9494 4.6572 4.7372 5.5992 5.6381 5.9258 6.0794 7.1458 7.2424 7.2466 7.4981 7.7961 8.1013 8.2611 8.5819 9.1169 9.3548 9.5787 9.7366 10.3520 10.4443 11.0926 11.1061 12.6965 12.7051 13.2259 13.3094 14.9834 14.9993 k =-0.0694 0.1115 0.1313 ( 3237 PWs) bands (ev): -15.7963 -15.7962 -2.6591 -2.6238 -1.0151 -0.8301 -0.6970 -0.6236 0.1654 0.2349 3.9433 4.0142 4.6480 4.7163 5.6053 5.6450 5.9239 6.0745 7.1560 7.2442 7.2471 7.4713 7.8097 8.1077 8.2357 8.5279 9.0910 9.3205 9.5229 9.6642 10.4818 10.5670 11.1802 11.1883 12.6679 12.6736 13.1578 13.2428 15.0656 15.0808 k =-0.0625 0.1004 0.1182 ( 3233 PWs) bands (ev): -15.7971 -15.7971 -2.6530 -2.6203 -0.9949 -0.8197 -0.6842 -0.6170 0.1156 0.1846 4.0015 4.0727 4.6412 4.6983 5.6129 5.6537 5.9237 6.0710 7.1644 7.2459 7.2469 7.4427 7.8249 8.1098 8.2159 8.4753 9.0668 9.2869 9.4676 9.5942 10.6127 10.6873 11.2668 11.2692 12.6439 12.6474 13.0885 13.1733 15.1446 15.1589 k =-0.0555 0.0892 0.1051 ( 3233 PWs) bands (ev): -15.7979 -15.7979 -2.6472 -2.6175 -0.9750 -0.8139 -0.6669 -0.6091 0.0684 0.1362 4.0539 4.1240 4.6367 4.6834 5.6219 5.6636 5.9255 6.0685 7.1711 7.2460 7.2477 7.4130 7.8416 8.1064 8.2026 8.4246 9.0443 9.2538 9.4157 9.5280 10.7418 10.8037 11.3483 11.3519 12.6238 12.6257 13.0180 13.1006 15.2186 15.2310 k =-0.0486 0.0781 0.0919 ( 3233 PWs) bands (ev): -15.7986 -15.7986 -2.6418 -2.6152 -0.9557 -0.8119 -0.6464 -0.6000 0.0243 0.0898 4.1002 4.1674 4.6345 4.6719 5.6320 5.6740 5.9298 6.0666 7.1761 7.2448 7.2495 7.3831 7.8601 8.0980 8.1948 8.3763 9.0240 9.2210 9.3693 9.4670 10.8663 10.9147 11.4254 11.4349 12.6073 12.6080 12.9466 13.0249 15.2835 15.2886 k =-0.0416 0.0669 0.0788 ( 3229 PWs) bands (ev): -15.7992 -15.7992 -2.6368 -2.6136 -0.9371 -0.8128 -0.6241 -0.5897 -0.0162 0.0459 4.1401 4.2025 4.6345 4.6638 5.6427 5.6840 5.9368 6.0648 7.1799 7.2431 7.2510 7.3538 7.8802 8.0869 8.1899 8.3314 9.0065 9.1879 9.3297 9.4126 10.9836 11.0182 11.5002 11.5153 12.5937 12.5938 12.8748 12.9468 15.2917 15.3025 k =-0.0347 0.0558 0.0657 ( 3229 PWs) bands (ev): -15.7997 -15.7997 -2.6322 -2.6125 -0.9196 -0.8159 -0.6015 -0.5784 -0.0523 0.0048 4.1738 4.2294 4.6363 4.6587 5.6537 5.6926 5.9468 6.0624 7.1830 7.2409 7.2521 7.3261 7.9018 8.0750 8.1855 8.2904 8.9926 9.1546 9.2977 9.3658 11.0901 11.1120 11.5728 11.5922 12.5823 12.5831 12.8039 12.8673 15.2478 15.2519 k =-0.0278 0.0446 0.0525 ( 3231 PWs) bands (ev): -15.8002 -15.8001 -2.6280 -2.6121 -0.9033 -0.8205 -0.5801 -0.5667 -0.0830 -0.0328 4.2015 4.2483 4.6393 4.6560 5.6646 5.6990 5.9597 6.0588 7.1860 7.2381 7.2528 7.3013 7.9246 8.0634 8.1804 8.2542 8.9834 9.1212 9.2735 9.3271 11.1824 11.1936 11.6428 11.6642 12.5735 12.5750 12.7357 12.7885 15.1962 15.1964 k =-0.0208 0.0335 0.0394 ( 3231 PWs) bands (ev): -15.8005 -15.8005 -2.6243 -2.6122 -0.8883 -0.8265 -0.5615 -0.5553 -0.1071 -0.0660 4.2238 4.2602 4.6431 4.6548 5.6748 5.7028 5.9747 6.0534 7.1894 7.2338 7.2532 7.2810 7.9477 8.0521 8.1747 8.2237 8.9799 9.0886 9.2568 9.2965 11.2568 11.2605 11.7085 11.7288 12.5670 12.5693 12.6736 12.7139 15.1488 15.1505 k =-0.0139 0.0223 0.0263 ( 3219 PWs) bands (ev): -15.8008 -15.8007 -2.6210 -2.6129 -0.8747 -0.8337 -0.5472 -0.5453 -0.1232 -0.0938 4.2410 4.2660 4.6468 4.6543 5.6841 5.7039 5.9909 6.0456 7.1940 7.2270 7.2535 7.2669 7.9706 8.0404 8.1700 8.1994 8.9829 9.0581 9.2472 9.2734 11.3105 11.3106 11.7658 11.7817 12.5629 12.5660 12.6224 12.6486 15.1134 15.1152 k =-0.0069 0.0112 0.0131 ( 3227 PWs) bands (ev): -15.8009 -15.8009 -2.6182 -2.6141 -0.8625 -0.8421 -0.5383 -0.5381 -0.1300 -0.1146 4.2538 4.2664 4.6500 4.6537 5.6920 5.7022 6.0071 6.0351 7.2002 7.2178 7.2540 7.2591 7.9920 8.0271 8.1682 8.1820 8.9927 9.0311 9.2443 9.2573 11.3417 11.3427 11.8076 11.8163 12.5624 12.5659 12.5878 12.5993 15.0919 15.0930 k = 0.0000 0.0000 0.0000 ( 3219 PWs) bands (ev): -15.8009 -15.8009 -2.6159 -2.6159 -0.8516 -0.8516 -0.5354 -0.5354 -0.1271 -0.1271 4.2623 4.2623 4.6523 4.6523 5.6982 5.6982 6.0221 6.0221 7.2083 7.2083 7.2555 7.2555 8.0111 8.0111 8.1718 8.1718 9.0090 9.0090 9.2476 9.2476 11.3528 11.3528 11.8258 11.8258 12.5710 12.5710 12.5715 12.5715 15.0850 15.0850 k = 0.0000 0.0000 0.0000 ( 3219 PWs) bands (ev): -15.8009 -15.8009 -2.6159 -2.6159 -0.8516 -0.8516 -0.5354 -0.5354 -0.1271 -0.1271 4.2623 4.2623 4.6523 4.6523 5.6982 5.6982 6.0221 6.0221 7.2083 7.2083 7.2555 7.2555 8.0111 8.0111 8.1718 8.1718 9.0090 9.0090 9.2476 9.2476 11.3528 11.3528 11.8258 11.8258 12.5710 12.5710 12.5715 12.5715 15.0850 15.0850 k = 0.0156 0.0097 0.0000 ( 3228 PWs) bands (ev): -15.8009 -15.8009 -2.6164 -2.6164 -0.8554 -0.8554 -0.5354 -0.5354 -0.1212 -0.1212 4.2618 4.2618 4.6485 4.6485 5.6984 5.6984 6.0227 6.0227 7.2020 7.2020 7.2556 7.2556 8.0232 8.0232 8.1733 8.1733 9.0077 9.0077 9.2462 9.2462 11.3559 11.3559 11.8289 11.8289 12.5688 12.5688 12.5718 12.5718 15.0842 15.0842 k = 0.0312 0.0194 0.0000 ( 3228 PWs) bands (ev): -15.8009 -15.8009 -2.6180 -2.6180 -0.8662 -0.8662 -0.5356 -0.5356 -0.1041 -0.1041 4.2603 4.2603 4.6373 4.6373 5.6991 5.6991 6.0246 6.0246 7.1841 7.1841 7.2560 7.2560 8.0583 8.0583 8.1779 8.1779 9.0040 9.0040 9.2417 9.2417 11.3650 11.3650 11.8383 11.8383 12.5608 12.5608 12.5744 12.5744 15.0819 15.0819 k = 0.0469 0.0292 0.0000 ( 3236 PWs) bands (ev): -15.8008 -15.8008 -2.6207 -2.6207 -0.8830 -0.8830 -0.5358 -0.5358 -0.0767 -0.0767 4.2579 4.2579 4.6189 4.6189 5.7002 5.7002 6.0276 6.0276 7.1574 7.1574 7.2567 7.2567 8.1132 8.1132 8.1855 8.1855 8.9980 8.9980 9.2345 9.2345 11.3802 11.3802 11.8538 11.8538 12.5477 12.5477 12.5786 12.5786 15.0780 15.0780 k = 0.0625 0.0389 0.0000 ( 3256 PWs) bands (ev): -15.8007 -15.8007 -2.6243 -2.6243 -0.9047 -0.9047 -0.5362 -0.5362 -0.0404 -0.0404 4.2546 4.2546 4.5935 4.5935 5.7018 5.7018 6.0318 6.0318 7.1250 7.1250 7.2576 7.2576 8.1843 8.1843 8.1960 8.1960 8.9901 8.9901 9.2246 9.2246 11.4010 11.4010 11.8751 11.8751 12.5298 12.5298 12.5845 12.5845 15.0726 15.0726 k = 0.0781 0.0486 0.0000 ( 3248 PWs) bands (ev): -15.8006 -15.8006 -2.6290 -2.6290 -0.9297 -0.9297 -0.5366 -0.5366 0.0033 0.0033 4.2504 4.2504 4.5618 4.5618 5.7039 5.7039 6.0371 6.0371 7.0893 7.0893 7.2588 7.2588 8.2093 8.2093 8.2680 8.2680 8.9811 8.9811 9.2122 9.2122 11.4272 11.4272 11.9020 11.9020 12.5078 12.5078 12.5922 12.5922 15.0656 15.0656 k = 0.0938 0.0583 0.0000 ( 3240 PWs) bands (ev): -15.8005 -15.8005 -2.6346 -2.6346 -0.9569 -0.9569 -0.5371 -0.5371 0.0532 0.0532 4.2454 4.2454 4.5242 4.5242 5.7064 5.7064 6.0435 6.0435 7.0523 7.0523 7.2602 7.2602 8.2254 8.2254 8.3607 8.3607 8.9719 8.9719 9.1975 9.1975 11.4585 11.4585 11.9341 11.9341 12.4821 12.4821 12.6017 12.6017 15.0571 15.0571 k = 0.1094 0.0681 0.0000 ( 3240 PWs) bands (ev): -15.8004 -15.8004 -2.6410 -2.6410 -0.9854 -0.9854 -0.5378 -0.5378 0.1082 0.1082 4.2397 4.2397 4.4814 4.4814 5.7094 5.7094 6.0510 6.0510 7.0153 7.0153 7.2619 7.2619 8.2440 8.2440 8.4588 8.4588 8.9647 8.9647 9.1810 9.1810 11.4942 11.4942 11.9709 11.9709 12.4536 12.4536 12.6130 12.6130 15.0466 15.0466 k = 0.1250 0.0778 0.0000 ( 3240 PWs) bands (ev): -15.8002 -15.8002 -2.6483 -2.6483 -1.0144 -1.0144 -0.5385 -0.5385 0.1673 0.1673 4.2332 4.2332 4.4340 4.4340 5.7128 5.7128 6.0595 6.0595 6.9788 6.9788 7.2639 7.2639 8.2651 8.2651 8.5570 8.5570 8.9634 8.9634 9.1629 9.1629 11.5339 11.5339 12.0119 12.0119 12.4231 12.4231 12.6262 12.6262 14.9867 14.9867 k = 0.1406 0.0875 0.0000 ( 3252 PWs) bands (ev): -15.8000 -15.8000 -2.6563 -2.6563 -1.0432 -1.0432 -0.5392 -0.5392 0.2297 0.2297 4.2261 4.2261 4.3827 4.3827 5.7166 5.7166 6.0688 6.0688 6.9433 6.9433 7.2661 7.2661 8.2883 8.2883 8.6458 8.6458 8.9765 8.9765 9.1434 9.1434 11.5770 11.5770 12.0567 12.0567 12.3914 12.3914 12.6413 12.6413 14.8851 14.8851 k = 0.1562 0.0972 0.0000 ( 3240 PWs) bands (ev): -15.7998 -15.7998 -2.6650 -2.6650 -1.0715 -1.0715 -0.5400 -0.5400 0.2950 0.2950 4.2185 4.2185 4.3282 4.3282 5.7206 5.7206 6.0790 6.0790 6.9091 6.9091 7.2685 7.2685 8.3134 8.3134 8.7096 8.7096 9.0188 9.0188 9.1230 9.1230 11.6228 11.6228 12.1045 12.1045 12.3597 12.3597 12.6583 12.6583 14.7840 14.7840 k = 0.1719 0.1070 0.0000 ( 3232 PWs) bands (ev): -15.7996 -15.7996 -2.6742 -2.6742 -1.0990 -1.0990 -0.5409 -0.5409 0.3625 0.3625 4.2104 4.2104 4.2711 4.2711 5.7248 5.7248 6.0899 6.0899 6.8762 6.8762 7.2711 7.2711 8.3403 8.3403 8.7394 8.7394 9.0987 9.0987 9.1019 9.1019 11.6705 11.6705 12.1547 12.1547 12.3291 12.3291 12.6775 12.6775 14.6847 14.6847 k = 0.1875 0.1167 0.0000 ( 3232 PWs) bands (ev): -15.7993 -15.7993 -2.6839 -2.6839 -1.1253 -1.1253 -0.5419 -0.5419 0.4317 0.4317 4.2020 4.2020 4.2120 4.2120 5.7290 5.7290 6.1014 6.1014 6.8447 6.8447 7.2739 7.2739 8.3686 8.3686 8.7440 8.7440 9.0803 9.0803 9.2066 9.2066 11.7192 11.7192 12.2067 12.2067 12.3010 12.3010 12.6987 12.6987 14.5881 14.5881 k = 0.2031 0.1264 0.0000 ( 3232 PWs) bands (ev): -15.7991 -15.7991 -2.6939 -2.6939 -1.1505 -1.1505 -0.5428 -0.5428 0.5023 0.5023 4.1515 4.1515 4.1933 4.1933 5.7332 5.7332 6.1134 6.1134 6.8145 6.8145 7.2770 7.2770 8.3981 8.3981 8.7357 8.7357 9.0587 9.0587 9.3294 9.3294 11.7679 11.7679 12.2596 12.2596 12.2767 12.2767 12.7221 12.7221 14.4952 14.4952 k = 0.2188 0.1361 0.0000 ( 3232 PWs) bands (ev): -15.7988 -15.7988 -2.7042 -2.7042 -1.1743 -1.1743 -0.5438 -0.5438 0.5739 0.5739 4.0901 4.0901 4.1844 4.1844 5.7371 5.7371 6.1259 6.1259 6.7856 6.7856 7.2801 7.2801 8.4285 8.4285 8.7211 8.7211 9.0373 9.0373 9.4598 9.4598 11.8154 11.8154 12.2579 12.2579 12.3126 12.3126 12.7477 12.7477 14.4068 14.4068 k = 0.2344 0.1459 0.0000 ( 3232 PWs) bands (ev): -15.7986 -15.7986 -2.7147 -2.7147 -1.1968 -1.1968 -0.5448 -0.5448 0.6460 0.6460 4.0283 4.0283 4.1754 4.1754 5.7406 5.7406 6.1386 6.1386 6.7582 6.7582 7.2835 7.2835 8.4593 8.4593 8.7034 8.7034 9.0163 9.0163 9.5936 9.5936 11.8604 11.8604 12.2465 12.2465 12.3649 12.3649 12.7754 12.7754 14.3235 14.3235 k = 0.2500 0.1556 0.0000 ( 3236 PWs) bands (ev): -15.7983 -15.7983 -2.7253 -2.7253 -1.2178 -1.2178 -0.5458 -0.5458 0.7183 0.7183 3.9666 3.9666 4.1664 4.1664 5.7437 5.7437 6.1515 6.1515 6.7322 6.7322 7.2869 7.2869 8.4904 8.4904 8.6842 8.6842 8.9961 8.9961 9.7281 9.7281 11.9020 11.9020 12.2440 12.2440 12.4156 12.4156 12.8053 12.8053 14.2462 14.2462 k = 0.2656 0.1653 0.0000 ( 3236 PWs) bands (ev): -15.7981 -15.7981 -2.7358 -2.7358 -1.2373 -1.2373 -0.5469 -0.5469 0.7905 0.7905 3.9053 3.9053 4.1575 4.1575 5.7461 5.7461 6.1645 6.1645 6.7076 6.7076 7.2904 7.2904 8.5212 8.5212 8.6644 8.6644 8.9768 8.9768 9.8610 9.8610 11.9398 11.9398 12.2514 12.2514 12.4636 12.4636 12.8374 12.8374 14.1755 14.1755 k = 0.2812 0.1750 0.0000 ( 3260 PWs) bands (ev): -15.7978 -15.7978 -2.7461 -2.7461 -1.2555 -1.2555 -0.5479 -0.5479 0.8620 0.8620 3.8447 3.8447 4.1487 4.1487 5.7478 5.7478 6.1774 6.1774 6.6847 6.6847 7.2940 7.2940 8.5514 8.5514 8.6446 8.6446 8.9588 8.9588 9.9904 9.9904 11.9749 11.9749 12.2685 12.2685 12.5079 12.5079 12.8715 12.8715 14.1120 14.1120 k = 0.2969 0.1847 0.0000 ( 3268 PWs) bands (ev): -15.7976 -15.7976 -2.7562 -2.7562 -1.2722 -1.2722 -0.5489 -0.5489 0.9326 0.9326 3.7854 3.7854 4.1402 4.1402 5.7487 5.7487 6.1900 6.1900 6.6633 6.6633 7.2976 7.2976 8.5806 8.5806 8.6252 8.6252 8.9423 8.9423 10.1140 10.1140 12.0098 12.0098 12.2938 12.2938 12.5477 12.5477 12.9078 12.9078 14.0563 14.0563 k = 0.3125 0.1945 0.0000 ( 3264 PWs) bands (ev): -15.7973 -15.7973 -2.7660 -2.7660 -1.2874 -1.2874 -0.5498 -0.5498 1.0017 1.0017 3.7277 3.7277 4.1320 4.1320 5.7487 5.7487 6.2023 6.2023 6.6437 6.6437 7.3012 7.3012 8.6064 8.6064 8.6082 8.6082 8.9275 8.9275 10.2299 10.2299 12.0477 12.0477 12.3249 12.3249 12.5819 12.5819 12.9462 12.9462 14.0088 14.0088 k = 0.3281 0.2042 0.0000 ( 3248 PWs) bands (ev): -15.7971 -15.7971 -2.7753 -2.7753 -1.3014 -1.3014 -0.5507 -0.5507 1.0689 1.0689 3.6718 3.6718 4.1242 4.1242 5.7480 5.7480 6.2142 6.2142 6.6258 6.6258 7.3048 7.3048 8.5887 8.5887 8.6337 8.6337 8.9150 8.9150 10.3359 10.3359 12.0912 12.0912 12.3600 12.3600 12.6100 12.6100 12.9869 12.9869 13.9697 13.9697 k = 0.3438 0.2139 0.0000 ( 3248 PWs) bands (ev): -15.7969 -15.7969 -2.7841 -2.7841 -1.3139 -1.3139 -0.5516 -0.5516 1.1336 1.1336 3.6183 3.6183 4.1169 4.1169 5.7464 5.7464 6.2255 6.2255 6.6096 6.6096 7.3082 7.3082 8.5719 8.5719 8.6566 8.6566 8.9049 8.9049 10.4306 10.4306 12.1414 12.1414 12.3987 12.3987 12.6316 12.6316 13.0299 13.0299 13.9392 13.9392 k = 0.3594 0.2236 0.0000 ( 3244 PWs) bands (ev): -15.7967 -15.7967 -2.7923 -2.7923 -1.3252 -1.3252 -0.5524 -0.5524 1.1952 1.1952 3.5674 3.5674 4.1100 4.1100 5.7441 5.7441 6.2361 6.2361 6.5953 6.5953 7.3115 7.3115 8.5564 8.5564 8.6763 8.6763 8.8976 8.8976 10.5127 10.5127 12.1970 12.1970 12.4422 12.4422 12.6467 12.6467 13.0753 13.0753 13.9169 13.9169 k = 0.3750 0.2334 0.0000 ( 3244 PWs) bands (ev): -15.7965 -15.7965 -2.7999 -2.7999 -1.3351 -1.3351 -0.5532 -0.5532 1.2533 1.2533 3.5198 3.5198 4.1038 4.1038 5.7413 5.7413 6.2459 6.2459 6.5828 6.5828 7.3147 7.3147 8.5423 8.5423 8.6923 8.6923 8.8934 8.8934 10.5818 10.5818 12.2531 12.2531 12.4948 12.4948 12.6561 12.6561 13.1228 13.1228 13.9023 13.9023 k = 0.3906 0.2431 0.0000 ( 3256 PWs) bands (ev): -15.7963 -15.7963 -2.8067 -2.8067 -1.3438 -1.3438 -0.5538 -0.5538 1.3070 1.3070 3.4757 3.4757 4.0981 4.0981 5.7381 5.7381 6.2548 6.2548 6.5720 6.5720 7.3175 7.3175 8.5296 8.5296 8.7045 8.7045 8.8922 8.8922 10.6384 10.6384 12.3027 12.3027 12.5620 12.5620 12.6604 12.6604 13.1721 13.1721 13.8943 13.8943 k = 0.4062 0.2528 0.0000 ( 3256 PWs) bands (ev): -15.7962 -15.7962 -2.8127 -2.8127 -1.3513 -1.3513 -0.5544 -0.5544 1.3557 1.3557 3.4359 3.4359 4.0932 4.0932 5.7347 5.7347 6.2626 6.2626 6.5629 6.5629 7.3201 7.3201 8.5185 8.5185 8.7130 8.7130 8.8937 8.8937 10.6835 10.6835 12.3409 12.3409 12.6464 12.6464 12.6611 12.6611 13.2224 13.2224 13.8917 13.8917 k = 0.4219 0.2625 0.0000 ( 3256 PWs) bands (ev): -15.7960 -15.7960 -2.8179 -2.8179 -1.3576 -1.3576 -0.5550 -0.5550 1.3986 1.3986 3.4007 3.4007 4.0889 4.0889 5.7314 5.7314 6.2695 6.2695 6.5554 6.5554 7.3224 7.3224 8.5089 8.5089 8.7184 8.7184 8.8971 8.8971 10.7184 10.7184 12.3676 12.3676 12.6592 12.6592 12.7445 12.7445 13.2724 13.2724 13.8928 13.8928 k = 0.4375 0.2723 0.0000 ( 3252 PWs) bands (ev): -15.7959 -15.7959 -2.8222 -2.8222 -1.3627 -1.3627 -0.5554 -0.5554 1.4351 1.4351 3.3709 3.3709 4.0853 4.0853 5.7283 5.7283 6.2751 6.2751 6.5494 6.5494 7.3243 7.3243 8.5011 8.5011 8.7215 8.7215 8.9015 8.9015 10.7446 10.7446 12.3855 12.3855 12.6559 12.6559 12.8494 12.8494 13.3204 13.3204 13.8957 13.8957 k = 0.4531 0.2820 0.0000 ( 3256 PWs) bands (ev): -15.7958 -15.7958 -2.8256 -2.8256 -1.3667 -1.3667 -0.5557 -0.5557 1.4643 1.4643 3.3470 3.3470 4.0825 4.0825 5.7256 5.7256 6.2796 6.2796 6.5448 6.5448 7.3259 7.3259 8.4949 8.4949 8.7231 8.7231 8.9059 8.9059 10.7635 10.7635 12.3972 12.3972 12.6523 12.6523 12.9522 12.9522 13.3639 13.3639 13.8986 13.8986 k = 0.4688 0.2917 0.0000 ( 3252 PWs) bands (ev): -15.7958 -15.7958 -2.8280 -2.8280 -1.3695 -1.3695 -0.5560 -0.5560 1.4857 1.4857 3.3294 3.3294 4.0805 4.0805 5.7236 5.7236 6.2828 6.2828 6.5417 6.5417 7.3270 7.3270 8.4905 8.4905 8.7237 8.7237 8.9096 8.9096 10.7761 10.7761 12.4045 12.4045 12.6491 12.6491 13.0419 13.0419 13.3995 13.3995 13.8998 13.8998 k = 0.4844 0.3014 0.0000 ( 3236 PWs) bands (ev): -15.7957 -15.7957 -2.8295 -2.8295 -1.3712 -1.3712 -0.5561 -0.5561 1.4988 1.4988 3.3187 3.3187 4.0793 4.0793 5.7223 5.7223 6.2848 6.2848 6.5398 6.5398 7.3277 7.3277 8.4878 8.4878 8.7240 8.7240 8.9120 8.9120 10.7834 10.7834 12.4084 12.4084 12.6470 12.6470 13.1052 13.1052 13.4231 13.4231 13.8991 13.8991 k = 0.5000 0.3112 0.0000 ( 3220 PWs) bands (ev): -15.7957 -15.7957 -2.8299 -2.8299 -1.3718 -1.3718 -0.5562 -0.5562 1.5032 1.5032 3.3151 3.3151 4.0789 4.0789 5.7219 5.7219 6.2854 6.2854 6.5392 6.5392 7.3279 7.3279 8.4869 8.4869 8.7240 8.7240 8.9128 8.9128 10.7857 10.7857 12.4097 12.4097 12.6463 12.6463 13.1283 13.1283 13.4315 13.4315 13.8983 13.8983 k = 0.5000 0.3112 0.0000 ( 3220 PWs) bands (ev): -15.7957 -15.7957 -2.8299 -2.8299 -1.3718 -1.3718 -0.5562 -0.5562 1.5032 1.5032 3.3151 3.3151 4.0789 4.0789 5.7219 5.7219 6.2854 6.2854 6.5392 6.5392 7.3279 7.3279 8.4869 8.4869 8.7240 8.7240 8.9128 8.9128 10.7857 10.7857 12.4097 12.4097 12.6463 12.6463 13.1283 13.1283 13.4315 13.4315 13.8983 13.8983 k = 0.4930 0.3223 0.0132 ( 3236 PWs) bands (ev): -15.7957 -15.7957 -2.8313 -2.8283 -1.3764 -1.3669 -0.5571 -0.5570 1.4969 1.5097 3.3137 3.3207 4.0742 4.0825 5.7213 5.7228 6.2708 6.2993 6.5343 6.5446 7.3244 7.3294 8.4645 8.4924 8.6762 8.7711 8.8770 8.9582 10.7862 10.7987 12.3912 12.4162 12.6342 12.6453 13.1284 13.1326 13.4342 13.4416 13.8787 13.8933 k = 0.4861 0.3335 0.0263 ( 3240 PWs) bands (ev): -15.7956 -15.7955 -2.8322 -2.8263 -1.3808 -1.3619 -0.5599 -0.5598 1.4910 1.5164 3.3163 3.3303 4.0682 4.0847 5.7212 5.7242 6.2555 6.3127 6.5302 6.5505 7.3188 7.3291 8.4234 8.4837 8.6386 8.7816 8.8838 9.0046 10.8001 10.8245 12.3582 12.4095 12.6113 12.6375 13.1330 13.1378 13.4487 13.4637 13.8361 13.8700 k = 0.4791 0.3447 0.0395 ( 3246 PWs) bands (ev): -15.7954 -15.7953 -2.8329 -2.8240 -1.3849 -1.3566 -0.5643 -0.5643 1.4854 1.5233 3.3230 3.3438 4.0611 4.0857 5.7215 5.7261 6.2392 6.3255 6.5271 6.5567 7.3108 7.3271 8.3666 8.4621 8.6116 8.7549 8.9327 9.0494 10.8272 10.8625 12.3076 12.3827 12.5893 12.6318 13.1392 13.1405 13.4725 13.4948 13.7794 13.8362 k = 0.4722 0.3558 0.0526 ( 3246 PWs) bands (ev): -15.7951 -15.7950 -2.8332 -2.8214 -1.3889 -1.3511 -0.5707 -0.5702 1.4803 1.5302 3.3335 3.3612 4.0527 4.0853 5.7222 5.7284 6.2222 6.3381 6.5249 6.5631 7.3003 7.3234 8.3003 8.4285 8.5911 8.7253 8.9888 9.0915 10.8669 10.9113 12.2394 12.3306 12.5796 12.6334 13.1384 13.1438 13.5016 13.5295 13.7180 13.7984 k = 0.4652 0.3670 0.0658 ( 3246 PWs) bands (ev): -15.7947 -15.7946 -2.8331 -2.8186 -1.3926 -1.3454 -0.5787 -0.5775 1.4757 1.5371 3.3477 3.3821 4.0430 4.0835 5.7233 5.7313 6.2045 6.3505 6.5239 6.5694 7.2871 7.3182 8.2297 8.3847 8.5736 8.7001 9.0436 9.1303 10.9183 10.9693 12.1566 12.2572 12.5832 12.6434 13.1307 13.1445 13.5282 13.5597 13.6626 13.7640 k = 0.4583 0.3782 0.0789 ( 3242 PWs) bands (ev): -15.7942 -15.7941 -2.8328 -2.8155 -1.3961 -1.3395 -0.5883 -0.5860 1.4717 1.5440 3.3653 3.4063 4.0319 4.0801 5.7249 5.7348 6.1862 6.3630 6.5240 6.5757 7.2708 7.3116 8.1583 8.3336 8.5572 8.6795 9.0950 9.1659 10.9802 11.0341 12.0626 12.1707 12.5962 12.6609 13.1172 13.1399 13.5305 13.5726 13.6353 13.7429 k = 0.4513 0.3893 0.0921 ( 3242 PWs) bands (ev): -15.7937 -15.7935 -2.8323 -2.8123 -1.3994 -1.3334 -0.5993 -0.5955 1.4683 1.5509 3.3858 3.4334 4.0196 4.0752 5.7270 5.7388 6.1676 6.3755 6.5252 6.5818 7.2512 7.3036 8.0882 8.2779 8.5412 8.6624 9.1425 9.1983 11.0511 11.1025 11.9602 12.0782 12.6153 12.6849 13.0975 13.1293 13.4954 13.5583 13.6483 13.7317 k = 0.4444 0.4005 0.1053 ( 3246 PWs) bands (ev): -15.7931 -15.7929 -2.8315 -2.8089 -1.4024 -1.3271 -0.6114 -0.6058 1.4656 1.5577 3.4088 3.4629 4.0060 4.0687 5.7296 5.7436 6.1488 6.3883 6.5276 6.5878 7.2284 7.2942 8.0208 8.2201 8.5253 8.6475 9.1859 9.2279 11.1292 11.1695 11.8515 11.9861 12.6383 12.7145 13.0715 13.1121 13.4508 13.5247 13.6683 13.6802 k = 0.4374 0.4117 0.1184 ( 3242 PWs) bands (ev): -15.7924 -15.7922 -2.8305 -2.8054 -1.4052 -1.3206 -0.6246 -0.6167 1.4636 1.5645 3.4335 3.4941 3.9916 4.0610 5.7328 5.7491 6.1301 6.4014 6.5311 6.5935 7.2022 7.2834 7.9570 8.1618 8.5096 8.6342 9.2254 9.2550 11.2125 11.2270 11.7378 11.9029 12.6634 12.7491 13.0396 13.0891 13.4094 13.4839 13.5940 13.6627 k = 0.4305 0.4229 0.1316 ( 3246 PWs) bands (ev): -15.7916 -15.7914 -2.8294 -2.8020 -1.4077 -1.3141 -0.6384 -0.6279 1.4623 1.5712 3.4589 3.5258 3.9769 4.0526 5.7366 5.7555 6.1118 6.4148 6.5356 6.5989 7.1728 7.2715 7.8972 8.1044 8.4943 8.6219 9.2614 9.2799 11.2614 11.2986 11.6202 11.8411 12.6885 12.7879 13.0023 13.0627 13.3732 13.4421 13.4996 13.6145 k = 0.4235 0.4340 0.1447 ( 3252 PWs) bands (ev): -15.7908 -15.7906 -2.8282 -2.7986 -1.4098 -1.3074 -0.6528 -0.6392 1.4617 1.5780 3.4837 3.5566 3.9631 4.0441 5.7409 5.7629 6.0941 6.4287 6.5411 6.6040 7.1406 7.2583 7.8416 8.0488 8.4798 8.6105 9.2941 9.3031 11.2565 11.3840 11.5000 11.8159 12.7104 12.8303 12.9615 13.0371 13.3411 13.4019 13.4037 13.5487 k = 0.4166 0.4452 0.1579 ( 3256 PWs) bands (ev): -15.7900 -15.7897 -2.8269 -2.7953 -1.4117 -1.3008 -0.6674 -0.6505 1.4620 1.5849 3.5061 3.5840 3.9523 4.0370 5.7460 5.7713 6.0773 6.4429 6.5475 6.6087 7.1062 7.2440 7.7900 7.9957 8.4663 8.6000 9.3240 9.3248 11.2065 11.3733 11.4700 11.8309 12.7245 12.8743 12.9200 13.0183 13.3067 13.3103 13.3674 13.4820 k = 0.4096 0.4564 0.1710 ( 3252 PWs) bands (ev): -15.7891 -15.7888 -2.8255 -2.7922 -1.4131 -1.2941 -0.6820 -0.6615 1.4630 1.5919 3.5239 3.6045 3.9475 4.0331 5.7517 5.7807 6.0616 6.4576 6.5547 6.6129 7.0704 7.2287 7.7421 7.9455 8.4543 8.5905 9.3453 9.3514 11.1225 11.2485 11.5445 11.8723 12.7257 12.8782 12.9192 13.0120 13.2151 13.2758 13.3379 13.4249 k = 0.4027 0.4675 0.1842 ( 3258 PWs) bands (ev): -15.7882 -15.7879 -2.8242 -2.7893 -1.4141 -1.2876 -0.6963 -0.6720 1.4649 1.5991 3.5344 3.6141 3.9525 4.0345 5.7582 5.7913 6.0471 6.4727 6.5626 6.6166 7.0341 7.2124 7.6972 7.8986 8.4442 8.5821 9.3650 9.3767 11.0186 11.1212 11.6080 11.9225 12.7122 12.8452 12.9462 13.0191 13.1418 13.2329 13.3158 13.3882 k = 0.3957 0.4787 0.1973 ( 3255 PWs) bands (ev): -15.7872 -15.7869 -2.8229 -2.7868 -1.4147 -1.2812 -0.7100 -0.6820 1.4677 1.6065 3.5351 3.6098 3.9698 4.0437 5.7654 5.8031 6.0340 6.4880 6.5711 6.6193 6.9984 7.1953 7.6549 7.8551 8.4363 8.5749 9.3839 9.4001 10.9040 10.9926 11.6545 11.9681 12.6878 12.8220 12.9208 13.0294 13.1243 13.1893 13.3034 13.3761 k = 0.3888 0.4899 0.2105 ( 3243 PWs) bands (ev): -15.7862 -15.7859 -2.8216 -2.7845 -1.4148 -1.2751 -0.7230 -0.6912 1.4715 1.6144 3.5245 3.5915 3.9996 4.0619 5.7734 5.8160 6.0225 6.5036 6.5800 6.6209 6.9645 7.1776 7.6144 7.8153 8.4309 8.5692 9.4022 9.4218 10.7838 10.8633 11.6796 11.9992 12.6574 12.8106 12.8447 13.0174 13.1606 13.1742 13.3037 13.3858 k = 0.3818 0.5011 0.2237 ( 3239 PWs) bands (ev): -15.7852 -15.7849 -2.8205 -2.7827 -1.4143 -1.2693 -0.7349 -0.6996 1.4761 1.6227 3.5021 3.5612 4.0395 4.0893 5.7821 5.8301 6.0124 6.5190 6.5892 6.6209 6.9335 7.1595 7.5754 7.7792 8.4283 8.5652 9.4199 9.4420 10.6610 10.7340 11.6811 12.0093 12.6239 12.7465 12.8173 12.9744 13.2013 13.2134 13.3219 13.4144 k = 0.3749 0.5122 0.2368 ( 3237 PWs) bands (ev): -15.7842 -15.7839 -2.8194 -2.7813 -1.4132 -1.2640 -0.7456 -0.7071 1.4818 1.6315 3.4687 3.5214 4.0869 4.1251 5.7916 5.8452 6.0040 6.5338 6.5986 6.6189 6.9067 7.1412 7.5374 7.7468 8.4287 8.5630 9.4369 9.4607 10.5377 10.6051 11.6596 11.9960 12.5858 12.6467 12.8307 12.9243 13.2519 13.2672 13.3639 13.4596 k = 0.3679 0.5234 0.2500 ( 3239 PWs) bands (ev): -15.7832 -15.7829 -2.8185 -2.7803 -1.4115 -1.2591 -0.7549 -0.7136 1.4886 1.6410 3.4257 3.4742 4.1397 4.1678 5.8018 5.8612 5.9971 6.5471 6.6079 6.6152 6.8853 7.1230 7.5001 7.7179 8.4322 8.5629 9.4531 9.4777 10.4153 10.4776 11.6180 11.9604 12.5387 12.5442 12.8503 12.8827 13.3147 13.3209 13.4294 13.5191 k = 0.3610 0.5346 0.2631 ( 3231 PWs) bands (ev): -15.7822 -15.7819 -2.8177 -2.7798 -1.4091 -1.2549 -0.7625 -0.7191 1.4965 1.6512 3.3748 3.4212 4.1963 4.2158 5.8127 5.8782 5.9918 6.5563 6.6116 6.6169 6.8700 7.1054 7.4635 7.6926 8.4390 8.5650 9.4679 9.4928 10.2957 10.3524 11.5607 11.9066 12.4407 12.4791 12.8553 12.8712 13.3808 13.3854 13.5111 13.5899 k = 0.3540 0.5457 0.2763 ( 3231 PWs) bands (ev): -15.7812 -15.7809 -2.8170 -2.7797 -1.4060 -1.2514 -0.7685 -0.7235 1.5055 1.6622 3.3172 3.3634 4.2556 4.2677 5.8242 5.8959 5.9880 6.5569 6.6125 6.6255 6.8611 7.0887 7.4274 7.6707 8.4490 8.5694 9.4802 9.5051 10.1805 10.2309 11.4914 11.8391 12.3367 12.4075 12.8414 12.8910 13.4495 13.4612 13.6032 13.6681 k = 0.3471 0.5569 0.2894 ( 3231 PWs) bands (ev): -15.7803 -15.7800 -2.8164 -2.7800 -1.4022 -1.2485 -0.7728 -0.7269 1.5157 1.6742 3.2541 3.3016 4.3169 4.3223 5.8363 5.9143 5.9857 6.5468 6.6204 6.6334 6.8581 7.0733 7.3919 7.6521 8.4623 8.5762 9.4883 9.5131 10.0724 10.1151 11.4137 11.7617 12.2327 12.3270 12.8379 12.9091 13.5260 13.5403 13.7023 13.7488 k = 0.3401 0.5681 0.3026 ( 3231 PWs) bands (ev): -15.7794 -15.7791 -2.8158 -2.7808 -1.3978 -1.2464 -0.7753 -0.7293 1.5272 1.6873 3.1866 3.2365 4.3785 4.3795 5.8489 5.9335 5.9849 6.5297 6.6322 6.6403 6.8604 7.0598 7.3572 7.6366 8.4789 8.5856 9.4888 9.5137 9.9755 10.0087 11.3302 11.6776 12.1289 12.2405 12.8418 12.9260 13.6082 13.6212 13.8054 13.8267 k = 0.3332 0.5792 0.3158 ( 3223 PWs) bands (ev): -15.7785 -15.7782 -2.8153 -2.7819 -1.3926 -1.2451 -0.7760 -0.7307 1.5400 1.7014 3.1154 3.1688 4.4355 4.4428 5.8619 5.9529 5.9859 6.5091 6.6455 6.6461 6.8669 7.0486 7.3234 7.6240 8.4987 8.5975 9.4762 9.5015 9.8957 9.9175 11.2427 11.5889 12.0255 12.1503 12.8510 12.9423 13.6944 13.7032 13.8981 13.9082 k = 0.3262 0.5904 0.3289 ( 3223 PWs) bands (ev): -15.7777 -15.7774 -2.8149 -2.7833 -1.3867 -1.2444 -0.7751 -0.7311 1.5540 1.7167 3.0412 3.0991 4.4923 4.5063 5.8753 5.9700 5.9912 6.4865 6.6504 6.6593 6.8768 7.0400 7.2907 7.6142 8.5216 8.6120 9.4441 9.4693 9.8400 9.8492 11.1530 11.4974 11.9227 12.0578 12.8643 12.9588 13.7832 13.7850 13.9630 14.0061 k = 0.3193 0.6016 0.3421 ( 3223 PWs) bands (ev): -15.7769 -15.7766 -2.8144 -2.7850 -1.3802 -1.2443 -0.7727 -0.7307 1.5693 1.7332 2.9649 3.0278 4.5481 4.5694 5.8890 5.9779 6.0079 6.4630 6.6533 6.6731 6.8892 7.0344 7.2593 7.6071 8.5476 8.6289 9.3907 9.4130 9.8084 9.8107 11.0620 11.4041 11.8207 11.9642 12.8809 12.9760 13.8651 13.8736 14.0238 14.0947 k = 0.3123 0.6128 0.3552 ( 3215 PWs) bands (ev): -15.7762 -15.7759 -2.8138 -2.7868 -1.3731 -1.2448 -0.7689 -0.7296 1.5858 1.7509 2.8870 2.9556 4.6023 4.6317 5.9028 5.9799 6.0329 6.4391 6.6546 6.6870 6.9035 7.0319 7.2294 7.6024 8.5766 8.6482 9.3215 9.3371 9.7908 9.8028 10.9710 11.3101 11.7197 11.8700 12.9003 12.9942 13.9406 13.9647 14.0845 14.1719 k = 0.3054 0.6239 0.3684 ( 3213 PWs) bands (ev): -15.7756 -15.7753 -2.8131 -2.7887 -1.3653 -1.2458 -0.7639 -0.7277 1.6033 1.7698 2.8081 2.8831 4.6539 4.6927 5.9166 5.9797 6.0624 6.4152 6.6545 6.7011 6.9192 7.0325 7.2014 7.6001 8.6085 8.6696 9.2441 9.2507 9.7877 9.8088 10.8807 11.2161 11.6197 11.7758 12.9222 13.0137 14.0073 14.0551 14.1495 14.2387 k = 0.2984 0.6351 0.3815 ( 3217 PWs) bands (ev): -15.7750 -15.7747 -2.8122 -2.7907 -1.3570 -1.2471 -0.7579 -0.7252 1.6216 1.7895 2.7289 2.8109 4.7023 4.7517 5.9303 5.9778 6.0962 6.3913 6.6531 6.7154 6.9360 7.0361 7.1754 7.6000 8.6433 8.6924 9.1612 9.1647 9.7925 9.8231 10.7920 11.1227 11.5209 11.6819 12.9463 13.0346 14.0620 14.1418 14.2219 14.2985 k = 0.2984 0.6351 0.3815 ( 3217 PWs) bands (ev): -15.7750 -15.7747 -2.8122 -2.7907 -1.3570 -1.2471 -0.7579 -0.7252 1.6216 1.7895 2.7289 2.8109 4.7023 4.7517 5.9303 5.9778 6.0962 6.3913 6.6531 6.7154 6.9360 7.0361 7.1754 7.6000 8.6433 8.6924 9.1612 9.1647 9.7925 9.8231 10.7920 11.1227 11.5209 11.6819 12.9463 13.0346 14.0620 14.1418 14.2219 14.2985 k = 0.2818 0.6308 0.3866 ( 3217 PWs) bands (ev): -15.7748 -15.7745 -2.8118 -2.7914 -1.3535 -1.2476 -0.7550 -0.7238 1.6279 1.7959 2.6989 2.7832 4.7203 4.7736 5.9357 5.9765 6.1111 6.3829 6.6525 6.7210 6.9423 7.0374 7.1674 7.6015 8.6585 8.7026 9.1226 9.1313 9.7972 9.8312 10.7612 11.0880 11.4828 11.6449 12.9558 13.0429 14.0459 14.1373 14.2450 14.3086 k = 0.2653 0.6265 0.3917 ( 3215 PWs) bands (ev): -15.7746 -15.7744 -2.8113 -2.7921 -1.3495 -1.2481 -0.7514 -0.7219 1.6325 1.7994 2.6702 2.7561 4.7382 4.7946 5.9413 5.9750 6.1277 6.3761 6.6524 6.7263 6.9482 7.0373 7.1626 7.6050 8.6758 8.7151 9.0760 9.0924 9.8062 9.8425 10.7364 11.0559 11.4444 11.6064 12.9648 13.0510 13.9913 14.0869 14.2174 14.2751 k = 0.2487 0.6221 0.3968 ( 3214 PWs) bands (ev): -15.7745 -15.7742 -2.8108 -2.7928 -1.3451 -1.2485 -0.7470 -0.7194 1.6354 1.8000 2.6433 2.7297 4.7556 4.8143 5.9468 5.9733 6.1458 6.3712 6.6527 6.7311 6.9536 7.0360 7.1612 7.6107 8.6948 8.7291 9.0225 9.0485 9.8198 9.8571 10.7171 11.0265 11.4063 11.5670 12.9737 13.0595 13.9256 14.0223 14.1526 14.2089 k = 0.2321 0.6178 0.4019 ( 3216 PWs) bands (ev): -15.7743 -15.7741 -2.8103 -2.7935 -1.3404 -1.2489 -0.7421 -0.7164 1.6366 1.7975 2.6187 2.7044 4.7724 4.8326 5.9521 5.9716 6.1652 6.3683 6.6535 6.7352 6.9590 7.0335 7.1630 7.6182 8.7151 8.7426 8.9647 9.0003 9.8380 9.8750 10.7025 10.9995 11.3687 11.5271 12.9826 13.0685 13.8570 13.9542 14.0762 14.1292 k = 0.2155 0.6135 0.4070 ( 3220 PWs) bands (ev): -15.7742 -15.7740 -2.8098 -2.7941 -1.3354 -1.2493 -0.7365 -0.7129 1.6364 1.7920 2.5966 2.6805 4.7886 4.8491 5.9568 5.9698 6.1857 6.3674 6.6548 6.7386 6.9647 7.0301 7.1679 7.6276 8.7354 8.7507 8.9085 8.9493 9.8603 9.8959 10.6918 10.9747 11.3320 11.4870 12.9916 13.0779 13.7882 13.8854 13.9989 14.0461 k = 0.1989 0.6092 0.4121 ( 3224 PWs) bands (ev): -15.7741 -15.7739 -2.8093 -2.7948 -1.3302 -1.2499 -0.7305 -0.7090 1.6348 1.7838 2.5772 2.6583 4.8038 4.8638 5.9608 5.9680 6.2070 6.3683 6.6567 6.7411 6.9711 7.0261 7.1761 7.6386 8.7389 8.7530 8.8691 8.8988 9.8863 9.9195 10.6843 10.9516 11.2966 11.4471 13.0005 13.0878 13.7203 13.8166 13.9257 13.9654 k = 0.1824 0.6048 0.4172 ( 3230 PWs) bands (ev): -15.7740 -15.7738 -2.8088 -2.7955 -1.3249 -1.2506 -0.7241 -0.7048 1.6321 1.7730 2.5607 2.6378 4.8180 4.8766 5.9641 5.9663 6.2286 6.3707 6.6591 6.7425 6.9781 7.0216 7.1877 7.6510 8.6930 8.7578 8.8593 8.8618 9.9154 9.9453 10.6791 10.9298 11.2629 11.4077 13.0091 13.0977 13.6541 13.7477 13.8591 13.8909 k = 0.1658 0.6005 0.4223 ( 3225 PWs) bands (ev): -15.7739 -15.7737 -2.8083 -2.7963 -1.3195 -1.2514 -0.7175 -0.7004 1.6285 1.7600 2.5471 2.6191 4.8313 4.8875 5.9648 5.9665 6.2503 6.3744 6.6621 6.7428 6.9858 7.0171 7.2032 7.6646 8.6264 8.7301 8.8507 8.8740 9.9467 9.9729 10.6756 10.9087 11.2311 11.3692 13.0170 13.1073 13.5909 13.6791 13.8002 13.8246 k = 0.1492 0.5962 0.4274 ( 3228 PWs) bands (ev): -15.7738 -15.7736 -2.8078 -2.7970 -1.3141 -1.2524 -0.7108 -0.6959 1.6244 1.7454 2.5361 2.6024 4.8435 4.8966 5.9635 5.9681 6.2717 6.3789 6.6656 6.7421 6.9935 7.0127 7.2230 7.6790 8.5530 8.6784 8.8651 8.8927 9.9797 10.0017 10.6735 10.8879 11.2017 11.3319 13.0239 13.1158 13.5320 13.6120 13.7493 13.7671 k = 0.1326 0.5919 0.4324 ( 3236 PWs) bands (ev): -15.7737 -15.7735 -2.8073 -2.7977 -1.3088 -1.2536 -0.7042 -0.6914 1.6201 1.7295 2.5276 2.5874 4.8547 4.9039 5.9624 5.9689 6.2922 6.3838 6.6697 6.7404 7.0008 7.0088 7.2477 7.6935 8.4785 8.6194 8.8860 8.9132 10.0133 10.0309 10.6722 10.8671 11.1751 11.2961 13.0291 13.1222 13.4791 13.5487 13.7059 13.7182 k = 0.1160 0.5876 0.4375 ( 3239 PWs) bands (ev): -15.7736 -15.7735 -2.8069 -2.7985 -1.3035 -1.2550 -0.6979 -0.6870 1.6159 1.7130 2.5214 2.5743 4.8648 4.9094 5.9615 5.9692 6.3117 6.3886 6.6743 6.7380 7.0056 7.0071 7.2777 7.7072 8.4059 8.5586 8.9083 8.9337 10.0468 10.0600 10.6718 10.8461 11.1517 11.2622 13.0322 13.1253 13.4337 13.4915 13.6697 13.6771 k = 0.0995 0.5832 0.4426 ( 3237 PWs) bands (ev): -15.7736 -15.7735 -2.8064 -2.7992 -1.2984 -1.2567 -0.6919 -0.6829 1.6123 1.6965 2.5172 2.5628 4.8740 4.9134 5.9609 5.9689 6.3296 6.3930 6.6792 6.7350 7.0033 7.0118 7.3132 7.7185 8.3382 8.4982 8.9300 8.9530 10.0789 10.0880 10.6723 10.8250 11.1318 11.2305 13.0331 13.1237 13.3966 13.4425 13.6399 13.6432 k = 0.0829 0.5789 0.4477 ( 3238 PWs) bands (ev): -15.7735 -15.7734 -2.8059 -2.7999 -1.2935 -1.2586 -0.6865 -0.6792 1.6096 1.6803 2.5147 2.5528 4.8822 4.9158 5.9606 5.9682 6.3458 6.3967 6.6844 6.7316 7.0020 7.0148 7.3539 7.7250 8.2787 8.4394 8.9502 8.9702 10.1088 10.1142 10.6738 10.8038 11.1158 11.2012 13.0322 13.1167 13.3682 13.4034 13.6160 13.6162 k = 0.0663 0.5746 0.4528 ( 3240 PWs) bands (ev): -15.7735 -15.7734 -2.8054 -2.8006 -1.2888 -1.2608 -0.6817 -0.6761 1.6082 1.6651 2.5137 2.5442 4.8896 4.9170 5.9606 5.9673 6.3599 6.3993 6.6898 6.7278 7.0019 7.0162 7.3993 7.7237 8.2313 8.3834 8.9682 8.9848 10.1351 10.1377 10.6767 10.7829 11.1041 11.1747 13.0304 13.1043 13.3481 13.3742 13.5954 13.5975 k = 0.0497 0.5703 0.4579 ( 3240 PWs) bands (ev): -15.7735 -15.7734 -2.8049 -2.8013 -1.2843 -1.2633 -0.6778 -0.6736 1.6084 1.6513 2.5139 2.5368 4.8961 4.9169 5.9608 5.9662 6.3719 6.4007 6.6951 6.7237 7.0028 7.0161 7.4483 7.7112 8.2000 8.3312 8.9833 8.9961 10.1569 10.1575 10.6816 10.7626 11.0969 11.1513 13.0293 13.0883 13.3351 13.3538 13.5806 13.5836 k = 0.0332 0.5659 0.4630 ( 3240 PWs) bands (ev): -15.7734 -15.7734 -2.8044 -2.8020 -1.2801 -1.2661 -0.6747 -0.6720 1.6104 1.6390 2.5153 2.5305 4.9017 4.9157 5.9613 5.9651 6.3818 6.4005 6.7004 6.7195 7.0046 7.0147 7.4998 7.6858 8.1871 8.2841 8.9951 9.0039 10.1727 10.1730 10.6887 10.7435 11.0944 11.1315 13.0302 13.0712 13.3279 13.3402 13.5710 13.5738 k = 0.0166 0.5616 0.4681 ( 3235 PWs) bands (ev): -15.7734 -15.7734 -2.8038 -2.8026 -1.2761 -1.2691 -0.6726 -0.6712 1.6144 1.6287 2.5177 2.5253 4.9065 4.9136 5.9620 5.9639 6.3895 6.3987 6.7055 6.7151 7.0070 7.0125 7.5521 7.6485 8.1921 8.2437 9.0033 9.0078 10.1824 10.1828 10.6985 10.7261 11.0968 11.1155 13.0346 13.0556 13.3254 13.3315 13.5660 13.5677 k = 0.0000 0.5573 0.4732 ( 3232 PWs) bands (ev): -15.7734 -15.7734 -2.8032 -2.8032 -1.2725 -1.2725 -0.6714 -0.6714 1.6205 1.6205 2.5210 2.5210 4.9105 4.9105 5.9629 5.9629 6.3951 6.3951 6.7104 6.7104 7.0098 7.0098 7.6027 7.6027 8.2121 8.2121 9.0076 9.0076 10.1859 10.1859 10.7110 10.7110 11.1039 11.1039 13.0431 13.0431 13.3267 13.3267 13.5650 13.5650 k = 0.0000 0.5573 0.4732 ( 3232 PWs) bands (ev): -15.7734 -15.7734 -2.8032 -2.8032 -1.2725 -1.2725 -0.6714 -0.6714 1.6205 1.6205 2.5210 2.5210 4.9105 4.9105 5.9629 5.9629 6.3951 6.3951 6.7104 6.7104 7.0098 7.0098 7.6027 7.6027 8.2121 8.2121 9.0076 9.0076 10.1859 10.1859 10.7110 10.7110 11.1039 11.1039 13.0431 13.0431 13.3267 13.3267 13.5650 13.5650 k = 0.0069 0.5461 0.4863 ( 3234 PWs) bands (ev): -15.7734 -15.7734 -2.8042 -2.8021 -1.2733 -1.2709 -0.6760 -0.6684 1.6183 1.6253 2.5163 2.5266 4.9037 4.9122 5.9438 5.9806 6.3840 6.4045 6.6873 6.7316 6.9949 7.0262 7.5834 7.6230 8.2010 8.2191 9.0082 9.0085 10.1732 10.1972 10.6871 10.7269 11.0843 11.1311 13.0279 13.0549 13.3129 13.3548 13.5408 13.6022 k = 0.0139 0.5350 0.4995 ( 3238 PWs) bands (ev): -15.7732 -15.7732 -2.8051 -2.8008 -1.2733 -1.2686 -0.6821 -0.6669 1.6187 1.6326 2.5125 2.5329 4.8919 4.9088 5.9235 5.9965 6.3712 6.4124 6.6624 6.7504 6.9819 7.0442 7.5654 7.6440 8.1863 8.2219 9.0104 9.0111 10.1564 10.2085 10.6614 10.7291 11.0773 11.1619 13.0105 13.0632 13.3154 13.3931 13.5334 13.6496 k = 0.0208 0.5238 0.5126 ( 3236 PWs) bands (ev): -15.7730 -15.7730 -2.8058 -2.7994 -1.2725 -1.2655 -0.6897 -0.6670 1.6218 1.6425 2.5096 2.5399 4.8752 4.9001 5.9024 6.0105 6.3568 6.4191 6.6360 6.7667 6.9710 7.0636 7.5491 7.6652 8.1685 8.2207 9.0135 9.0149 10.1326 10.2198 10.6382 10.7162 11.0855 11.1937 12.9929 13.0687 13.3339 13.4347 13.5484 13.7052 k = 0.0278 0.5127 0.5257 ( 3234 PWs) bands (ev): -15.7727 -15.7727 -2.8064 -2.7979 -1.2710 -1.2616 -0.6987 -0.6687 1.6274 1.6549 2.5075 2.5478 4.8534 4.8860 5.8807 6.0221 6.3412 6.4247 6.6082 6.7797 6.9628 7.0844 7.5347 7.6863 8.1484 8.2160 9.0171 9.0194 10.0995 10.2301 10.6174 10.6944 11.1072 11.2263 12.9774 13.0721 13.3667 13.4745 13.5896 13.7676 k = 0.0347 0.5015 0.5389 ( 3240 PWs) bands (ev): -15.7724 -15.7724 -2.8068 -2.7963 -1.2687 -1.2570 -0.7090 -0.6719 1.6356 1.6698 2.5065 2.5563 4.8265 4.8663 5.8589 6.0311 6.3249 6.4296 6.5789 6.7888 6.9582 7.1066 7.5224 7.7072 8.1268 8.2084 9.0206 9.0240 10.0565 10.2365 10.5934 10.6750 11.1397 11.2606 12.9658 13.0747 13.4123 13.5150 13.6525 13.8357 k = 0.0417 0.4904 0.5520 ( 3238 PWs) bands (ev): -15.7719 -15.7719 -2.8071 -2.7946 -1.2656 -1.2517 -0.7203 -0.6766 1.6462 1.6870 2.5065 2.5656 4.7944 4.8408 5.8372 6.0370 6.3086 6.4340 6.5482 6.7932 6.9580 7.1300 7.5124 7.7276 8.1046 8.1987 9.0233 9.0283 10.0044 10.2353 10.5621 10.6651 11.1819 11.2988 12.9592 13.0777 13.4689 13.5614 13.7295 13.9086 k = 0.0486 0.4792 0.5652 ( 3236 PWs) bands (ev): -15.7714 -15.7714 -2.8073 -2.7929 -1.2618 -1.2457 -0.7328 -0.6826 1.6594 1.7064 2.5076 2.5756 4.7573 4.8093 5.8160 6.0394 6.2931 6.4381 6.5158 6.7925 6.9629 7.1548 7.5046 7.7474 8.0824 8.1875 9.0251 9.0317 9.9453 10.2222 10.5275 10.6605 11.2343 11.3434 12.9580 13.0824 13.5351 13.6152 13.8165 13.9858 k = 0.0556 0.4680 0.5783 ( 3242 PWs) bands (ev): -15.7708 -15.7708 -2.8074 -2.7911 -1.2573 -1.2391 -0.7460 -0.6898 1.6749 1.7281 2.5099 2.5863 4.7151 4.7720 5.7954 6.0381 6.2792 6.4412 6.4824 6.7872 6.9725 7.1809 7.4990 7.7663 8.0610 8.1755 9.0256 9.0340 9.8812 10.1945 10.4943 10.6542 11.2984 11.3972 12.9624 13.0897 13.6093 13.6757 13.9115 14.0670 k = 0.0625 0.4569 0.5915 ( 3244 PWs) bands (ev): -15.7702 -15.7702 -2.8074 -2.7893 -1.2521 -1.2319 -0.7600 -0.6982 1.6927 1.7518 2.5134 2.5977 4.6681 4.7288 5.7755 6.0330 6.2673 6.4347 6.4568 6.7784 6.9860 7.2083 7.4956 7.7845 8.0409 8.1633 9.0247 9.0351 9.8139 10.1525 10.4629 10.6418 11.3753 11.4622 12.9723 13.1002 13.6896 13.7418 14.0137 14.1521 k = 0.0694 0.4457 0.6046 ( 3244 PWs) bands (ev): -15.7695 -15.7695 -2.8072 -2.7876 -1.2463 -1.2241 -0.7746 -0.7077 1.7128 1.7774 2.5182 2.6099 4.6163 4.6799 5.7561 6.0244 6.2570 6.4012 6.4567 6.7673 7.0023 7.2369 7.4944 7.8018 8.0226 8.1512 9.0226 9.0352 9.7448 10.0995 10.4304 10.6211 11.4650 11.5396 12.9872 13.1141 13.7734 13.8124 14.1224 14.2414 k = 0.0764 0.4346 0.6177 ( 3244 PWs) bands (ev): -15.7687 -15.7687 -2.8071 -2.7860 -1.2398 -1.2157 -0.7895 -0.7180 1.7350 1.8048 2.5244 2.6229 4.5601 4.6258 5.7371 6.0130 6.2469 6.3619 6.4621 6.7550 7.0204 7.2666 7.4955 7.8183 8.0066 8.1397 9.0192 9.0342 9.6752 10.0390 10.3943 10.5917 11.5669 11.6293 13.0067 13.1315 13.8563 13.8885 14.2372 14.3352 k = 0.0833 0.4234 0.6309 ( 3242 PWs) bands (ev): -15.7679 -15.7679 -2.8069 -2.7844 -1.2328 -1.2070 -0.8047 -0.7291 1.7592 1.8339 2.5321 2.6366 4.5000 4.5669 5.7177 5.9999 6.2331 6.3245 6.4690 6.7424 7.0394 7.2968 7.4991 7.8340 7.9931 8.1290 9.0148 9.0324 9.6057 9.9738 10.3529 10.5542 11.6796 11.7306 13.0304 13.1523 13.9334 13.9717 14.3571 14.4339 k = 0.0903 0.4122 0.6440 ( 3242 PWs) bands (ev): -15.7671 -15.7671 -2.8066 -2.7829 -1.2253 -1.1978 -0.8199 -0.7408 1.7853 1.8644 2.5414 2.6512 4.4362 4.5036 5.6974 5.9859 6.2079 6.2966 6.4771 6.7303 7.0587 7.3270 7.5056 7.8488 7.9826 8.1193 9.0095 9.0301 9.5371 9.9060 10.3059 10.5095 11.8013 11.8422 13.0577 13.1762 14.0045 14.0586 14.4812 14.5368 k = 0.0972 0.4011 0.6572 ( 3238 PWs) bands (ev): -15.7662 -15.7662 -2.8063 -2.7816 -1.2173 -1.1883 -0.8350 -0.7530 1.8132 1.8963 2.5523 2.6666 4.3694 4.4367 5.6753 5.9720 6.1673 6.2822 6.4864 6.7188 7.0779 7.3559 7.5161 7.8628 7.9751 8.1108 9.0036 9.0274 9.4699 9.8370 10.2538 10.4588 11.9302 11.9622 13.0883 13.2029 14.0711 14.1445 14.6069 14.6299 k = 0.1042 0.3899 0.6703 ( 3232 PWs) bands (ev): -15.7653 -15.7653 -2.8061 -2.7804 -1.2089 -1.1786 -0.8499 -0.7655 1.8429 1.9293 2.5651 2.6828 4.2999 4.3666 5.6504 5.9582 6.1173 6.2763 6.4968 6.7084 7.0965 7.3819 7.5316 7.8760 7.9710 8.1034 8.9970 9.0245 9.4045 9.7677 10.1974 10.4032 12.0645 12.0887 13.1219 13.2321 14.1328 14.2265 14.6219 14.6974 k = 0.1111 0.3788 0.6835 ( 3230 PWs) bands (ev): -15.7644 -15.7644 -2.8058 -2.7795 -1.2001 -1.1687 -0.8643 -0.7782 1.8741 1.9633 2.5797 2.6999 4.2284 4.2940 5.6222 5.9427 6.0653 6.2743 6.5084 6.6990 7.1143 7.4037 7.5532 7.8883 7.9703 8.0975 8.9898 9.0216 9.3416 9.6988 10.1375 10.3436 12.2017 12.2196 13.1585 13.2637 14.1882 14.3015 14.5800 14.6783 k = 0.1181 0.3676 0.6966 ( 3234 PWs) bands (ev): -15.7634 -15.7634 -2.8055 -2.7787 -1.1911 -1.1587 -0.8781 -0.7910 1.9068 1.9981 2.5963 2.7180 4.1553 4.2195 5.5901 5.9185 6.0210 6.2742 6.5209 6.6908 7.1313 7.4206 7.5810 7.8997 7.9729 8.0929 8.9820 9.0188 9.2816 9.6309 10.0749 10.2809 12.3384 12.3526 13.1989 13.2979 14.2354 14.3638 14.5484 14.6692 k = 0.1250 0.3564 0.7097 ( 3234 PWs) bands (ev): -15.7625 -15.7625 -2.8053 -2.7782 -1.1819 -1.1488 -0.8912 -0.8037 1.9408 2.0334 2.6149 2.7369 4.0810 4.1437 5.5541 5.8754 5.9961 6.2750 6.5343 6.6837 7.1474 7.4332 7.6137 7.9105 7.9784 8.0900 8.9732 9.0163 9.2252 9.5643 10.0105 10.2160 12.4695 12.4855 13.2447 13.3359 14.2735 14.4001 14.5458 14.6765 k = 0.1319 0.3453 0.7229 ( 3238 PWs) bands (ev): -15.7615 -15.7615 -2.8050 -2.7778 -1.1726 -1.1391 -0.9033 -0.8162 1.9760 2.0691 2.6356 2.7567 4.0061 4.0670 5.5144 5.8158 5.9888 6.2763 6.5483 6.6775 7.1627 7.4425 7.6494 7.9210 7.9862 8.0889 8.9631 9.0139 9.1734 9.4995 9.9449 10.1496 12.5899 12.6135 13.2992 13.3799 14.3035 14.4053 14.5803 14.7002 k = 0.1389 0.3341 0.7360 ( 3240 PWs) bands (ev): -15.7606 -15.7606 -2.8048 -2.7778 -1.1633 -1.1297 -0.9145 -0.8285 2.0124 2.1050 2.6585 2.7774 3.9311 3.9900 5.4713 5.7485 5.9911 6.2780 6.5628 6.6724 7.1772 7.4496 7.6864 7.9317 7.9953 8.0900 8.9506 9.0117 9.1275 9.4369 9.8788 10.0824 12.6942 12.7292 13.3669 13.4341 14.3284 14.4017 14.6327 14.7371 k = 0.1458 0.3230 0.7492 ( 3236 PWs) bands (ev): -15.7596 -15.7596 -2.8046 -2.7779 -1.1540 -1.1207 -0.9245 -0.8404 2.0497 2.1410 2.6834 2.7990 3.8563 3.9131 5.4254 5.6775 5.9990 6.2799 6.5773 6.6680 7.1911 7.4552 7.7231 7.9428 8.0051 8.0938 8.9347 9.0093 9.0894 9.3769 9.8126 10.0148 12.7768 12.8248 13.4527 13.5043 14.3517 14.4057 14.6898 14.7826 k = 0.1528 0.3118 0.7623 ( 3238 PWs) bands (ev): -15.7587 -15.7587 -2.8044 -2.7783 -1.1449 -1.1124 -0.9332 -0.8517 2.0878 2.1769 2.7103 2.8212 3.7821 3.8368 5.3773 5.6048 6.0108 6.2819 6.5917 6.6644 7.2046 7.4596 7.7579 7.9546 8.0151 8.1003 8.9145 9.0061 9.0611 9.3199 9.7468 9.9474 12.8350 12.8943 13.5586 13.5950 14.3759 14.4229 14.7477 14.8326 k = 0.1597 0.3006 0.7755 ( 3236 PWs) bands (ev): -15.7578 -15.7578 -2.8042 -2.7789 -1.1361 -1.1048 -0.9405 -0.8625 2.1267 2.2127 2.7389 2.8441 3.7090 3.7615 5.3277 5.5317 6.0257 6.2839 6.6054 6.6615 7.2178 7.4632 7.7897 7.9665 8.0256 8.1094 8.8903 9.0010 9.0435 9.2665 9.6820 9.8806 12.8705 12.9367 13.6822 13.7066 14.4040 14.4534 14.8052 14.8843 k = 0.1667 0.2895 0.7886 ( 3230 PWs) bands (ev): -15.7570 -15.7570 -2.8040 -2.7797 -1.1277 -1.0982 -0.9462 -0.8727 2.1662 2.2482 2.7690 2.8673 3.6373 3.6875 5.2774 5.4589 6.0430 6.2858 6.6181 6.6593 7.2310 7.4662 7.8176 7.9772 8.0380 8.1207 8.8643 8.9941 9.0348 9.2172 9.6186 9.8147 12.8877 12.9561 13.8185 13.8352 14.4390 14.4946 14.8615 14.9358 k = 0.1736 0.2783 0.8018 ( 3232 PWs) bands (ev): -15.7562 -15.7562 -2.8038 -2.7806 -1.1198 -1.0927 -0.9504 -0.8821 2.2062 2.2835 2.8002 2.8907 3.5675 3.6153 5.2270 5.3873 6.0622 6.2876 6.6294 6.6576 7.2443 7.4684 7.8414 7.9854 8.0532 8.1330 8.8390 8.9865 9.0317 9.1726 9.5569 9.7501 12.8918 12.9585 13.9616 13.9754 14.4818 14.5439 14.9161 14.9861 k = 0.1806 0.2672 0.8149 ( 3236 PWs) bands (ev): -15.7554 -15.7554 -2.8035 -2.7818 -1.1124 -1.0882 -0.9531 -0.8907 2.2466 2.3185 2.8318 2.9139 3.5000 3.5454 5.1773 5.3176 6.0828 6.2892 6.6388 6.6567 7.2579 7.4700 7.8614 7.9908 8.0709 8.1456 8.8165 8.9795 9.0313 9.1334 9.4974 9.6870 12.8869 12.9494 14.1069 14.1216 14.5317 14.5994 14.9687 15.0344 k = 0.1875 0.2560 0.8280 ( 3236 PWs) bands (ev): -15.7547 -15.7547 -2.8032 -2.7831 -1.1057 -1.0848 -0.9543 -0.8985 2.2871 2.3531 2.8633 2.9364 3.4353 3.4782 5.1290 5.2505 6.1044 6.2906 6.6455 6.6569 7.2720 7.4708 7.8782 7.9939 8.0897 8.1574 8.7981 8.9732 9.0321 9.1003 9.4406 9.6255 12.8762 12.9330 14.2510 14.2691 14.5873 14.6595 15.0189 15.0804 k = 0.1944 0.2449 0.8412 ( 3238 PWs) bands (ev): -15.7541 -15.7540 -2.8028 -2.7845 -1.0997 -1.0824 -0.9543 -0.9055 2.3276 2.3873 2.8936 2.9576 3.3741 3.4144 5.0831 5.1868 6.1266 6.2916 6.6488 6.6588 7.2868 7.4707 7.8927 7.9953 8.1078 8.1674 8.7847 8.9678 9.0331 9.0741 9.3871 9.5660 12.8623 12.9125 14.3905 14.4134 14.6468 14.7224 15.0666 15.1235 k = 0.2014 0.2337 0.8543 ( 3236 PWs) bands (ev): -15.7535 -15.7535 -2.8024 -2.7860 -1.0945 -1.0807 -0.9534 -0.9117 2.3678 2.4210 2.9217 2.9766 3.3173 3.3548 5.0402 5.1273 6.1489 6.2922 6.6497 6.6611 7.3022 7.4694 7.9056 7.9955 8.1240 8.1751 8.7769 8.9629 9.0321 9.0571 9.3373 9.5084 12.8470 12.8903 14.5220 14.5508 14.7084 14.7862 15.1119 15.1638 k = 0.2083 0.2225 0.8675 ( 3240 PWs) bands (ev): -15.7530 -15.7529 -2.8019 -2.7875 -1.0901 -1.0798 -0.9516 -0.9170 2.4074 2.4537 2.9461 2.9921 3.2664 3.3005 5.0012 5.0728 6.1709 6.2923 6.6499 6.6625 7.3182 7.4667 7.9174 7.9950 8.1376 8.1799 8.7748 8.9575 9.0276 9.0517 9.2921 9.4530 12.8317 12.8681 14.6418 14.6775 14.7704 14.8489 15.1551 15.2009 k = 0.2153 0.2114 0.8806 ( 3240 PWs) bands (ev): -15.7525 -15.7525 -2.8012 -2.7890 -1.0864 -1.0792 -0.9495 -0.9216 2.4456 2.4850 2.9651 3.0023 3.2236 3.2532 4.9669 5.0242 6.1920 6.2916 6.6499 6.6624 7.3347 7.4625 7.9284 7.9937 8.1484 8.1818 8.7782 8.9492 9.0258 9.0531 9.2523 9.3999 12.8175 12.8472 14.7460 14.7883 14.8320 14.9084 15.1964 15.2349 k = 0.2222 0.2002 0.8938 ( 3234 PWs) bands (ev): -15.7521 -15.7521 -2.8005 -2.7906 -1.0836 -1.0789 -0.9470 -0.9255 2.4817 2.5139 2.9769 3.0049 3.1914 3.2150 4.9382 4.9823 6.2117 6.2900 6.6500 6.6611 7.3515 7.4566 7.9390 7.9917 8.1565 8.1810 8.7868 8.9367 9.0314 9.0568 9.2189 9.3496 12.8053 12.8285 14.8317 14.8707 14.9002 14.9620 15.2357 15.2654 k = 0.2292 0.1891 0.9069 ( 3238 PWs) bands (ev): -15.7519 -15.7518 -2.7996 -2.7921 -1.0815 -1.0788 -0.9445 -0.9289 2.5144 2.5391 2.9806 2.9991 3.1717 3.1875 4.9158 4.9478 6.2296 6.2873 6.6503 6.6590 7.3683 7.4489 7.9491 7.9890 8.1624 8.1785 8.7998 8.9202 9.0433 9.0614 9.1933 9.3024 12.7957 12.8128 14.8971 14.9227 14.9709 15.0071 15.2716 15.2920 k = 0.2361 0.1779 0.9200 ( 3236 PWs) bands (ev): -15.7516 -15.7516 -2.7986 -2.7936 -1.0800 -1.0788 -0.9420 -0.9318 2.5417 2.5586 2.9777 2.9879 3.1625 3.1707 4.9006 4.9213 6.2452 6.2831 6.6507 6.6567 7.3846 7.4392 7.9585 7.9853 8.1663 8.1754 8.8166 8.9008 9.0577 9.0665 9.1779 9.2592 12.7892 12.8005 14.9431 14.9589 15.0242 15.0413 15.3015 15.3132 k = 0.2431 0.1667 0.9332 ( 3242 PWs) bands (ev): -15.7515 -15.7515 -2.7975 -2.7950 -1.0791 -1.0788 -0.9395 -0.9345 2.5613 2.5700 2.9731 2.9773 3.1594 3.1624 4.8931 4.9033 6.2584 6.2771 6.6515 6.6545 7.4002 7.4278 7.9670 7.9804 8.1689 8.1726 8.8362 8.8795 9.0689 9.0713 9.1767 9.2215 12.7863 12.7919 14.9717 14.9796 15.0563 15.0623 15.3219 15.3269 k = 0.2500 0.1556 0.9463 ( 3244 PWs) bands (ev): -15.7515 -15.7515 -2.7963 -2.7963 -1.0788 -1.0788 -0.9370 -0.9370 2.5712 2.5712 2.9720 2.9720 3.1595 3.1595 4.8939 4.8939 6.2690 6.2690 6.6528 6.6528 7.4147 7.4147 7.9743 7.9743 8.1706 8.1706 8.8576 8.8576 9.0731 9.0731 9.1923 9.1923 12.7872 12.7872 14.9839 14.9839 15.0683 15.0683 15.3304 15.3304 k = 0.2500 0.1556 0.9463 ( 3244 PWs) bands (ev): -15.7515 -15.7515 -2.7963 -2.7963 -1.0788 -1.0788 -0.9370 -0.9370 2.5712 2.5712 2.9720 2.9720 3.1595 3.1595 4.8939 4.8939 6.2690 6.2690 6.6528 6.6528 7.4147 7.4147 7.9743 7.9743 8.1706 8.1706 8.8576 8.8576 9.0731 9.0731 9.1923 9.1923 12.7872 12.7872 14.9839 14.9839 15.0683 15.0683 15.3304 15.3304 k = 0.2632 0.1638 0.9367 ( 3241 PWs) bands (ev): -15.7515 -15.7515 -2.7969 -2.7956 -1.0790 -1.0789 -0.9383 -0.9356 2.5670 2.5712 2.9692 2.9719 3.1621 3.1624 4.8948 4.9000 6.2627 6.2731 6.6516 6.6541 7.4064 7.4201 7.9710 7.9777 8.1686 8.1716 8.8449 8.8650 9.0695 9.0761 9.1797 9.2101 12.7913 12.7940 14.9811 14.9844 15.0663 15.0689 15.3276 15.3297 k = 0.2763 0.1720 0.9270 ( 3236 PWs) bands (ev): -15.7515 -15.7515 -2.7976 -2.7949 -1.0793 -1.0790 -0.9396 -0.9337 2.5592 2.5667 2.9638 2.9702 3.1694 3.1702 4.9028 4.9129 6.2536 6.2759 6.6495 6.6563 7.3959 7.4216 7.9680 7.9808 8.1644 8.1730 8.8303 8.8646 9.0590 9.0853 9.1670 9.2373 12.8062 12.8115 14.9772 14.9823 15.0638 15.0688 15.3207 15.3245 k = 0.2895 0.1801 0.9174 ( 3246 PWs) bands (ev): -15.7516 -15.7516 -2.7982 -2.7942 -1.0799 -1.0791 -0.9410 -0.9316 2.5485 2.5581 2.9569 2.9673 3.1794 3.1825 4.9178 4.9325 6.2422 6.2773 6.6465 6.6594 7.3832 7.4194 7.9655 7.9834 8.1585 8.1745 8.8149 8.8578 9.0443 9.0958 9.1578 9.2702 12.8312 12.8389 14.9723 14.9778 15.0614 15.0686 15.3087 15.3138 k = 0.3026 0.1883 0.9078 ( 3242 PWs) bands (ev): -15.7517 -15.7516 -2.7988 -2.7935 -1.0807 -1.0792 -0.9425 -0.9293 2.5352 2.5456 2.9496 2.9635 3.1918 3.1978 4.9395 4.9586 6.2285 6.2774 6.6426 6.6632 7.3685 7.4135 7.9633 7.9854 8.1511 8.1764 8.7994 8.8468 9.0271 9.0976 9.1602 9.3063 12.8654 12.8753 14.9666 14.9714 15.0599 15.0689 15.2908 15.2967 k = 0.3158 0.1965 0.8981 ( 3241 PWs) bands (ev): -15.7518 -15.7517 -2.7993 -2.7927 -1.0815 -1.0792 -0.9443 -0.9269 2.5200 2.5296 2.9427 2.9594 3.2058 3.2150 4.9676 4.9908 6.2130 6.2761 6.6377 6.6676 7.3520 7.4040 7.9611 7.9864 8.1428 8.1788 8.7846 8.8339 9.0087 9.0868 9.1763 9.3439 12.9075 12.9193 14.9595 14.9629 15.0604 15.0705 15.2667 15.2730 k = 0.3289 0.2047 0.8885 ( 3237 PWs) bands (ev): -15.7519 -15.7519 -2.7999 -2.7919 -1.0825 -1.0791 -0.9464 -0.9245 2.5033 2.5108 2.9368 2.9552 3.2209 3.2334 5.0016 5.0286 6.1959 6.2736 6.6318 6.6723 7.3341 7.3912 7.9587 7.9863 8.1341 8.1818 8.7709 8.8203 8.9900 9.0704 9.1984 9.3820 12.9561 12.9698 14.9504 14.9518 15.0637 15.0739 15.2367 15.2430 k = 0.3421 0.2129 0.8788 ( 3231 PWs) bands (ev): -15.7520 -15.7520 -2.8004 -2.7911 -1.0833 -1.0789 -0.9490 -0.9222 2.4856 2.4896 2.9323 2.9513 3.2367 3.2525 5.0409 5.0714 6.1775 6.2698 6.6247 6.6772 7.3149 7.3754 7.9557 7.9848 8.1254 8.1856 8.7586 8.8071 8.9718 9.0526 9.2221 9.4200 13.0096 13.0249 14.9374 14.9381 15.0704 15.0795 15.2020 15.2079 k = 0.3553 0.2211 0.8692 ( 3241 PWs) bands (ev): -15.7522 -15.7522 -2.8010 -2.7903 -1.0841 -1.0785 -0.9519 -0.9201 2.4666 2.4671 2.9293 2.9480 3.2526 3.2718 5.0847 5.1185 6.1580 6.2649 6.6163 6.6824 7.2948 7.3569 7.9517 7.9816 8.1174 8.1905 8.7475 8.7949 8.9548 9.0350 9.2456 9.4574 13.0663 13.0831 14.9182 14.9207 15.0805 15.0868 15.1650 15.1699 k = 0.3684 0.2293 0.8595 ( 3241 PWs) bands (ev): -15.7524 -15.7523 -2.8015 -2.7895 -1.0848 -1.0778 -0.9554 -0.9184 2.4422 2.4483 2.9282 2.9456 3.2686 3.2910 5.1324 5.1694 6.1377 6.2590 6.6068 6.6876 7.2742 7.3362 7.9465 7.9766 8.1105 8.1968 8.7374 8.7841 8.9401 9.0187 9.2683 9.4940 13.1241 13.1425 14.8921 14.8962 15.0905 15.0910 15.1327 15.1351 k = 0.3816 0.2375 0.8499 ( 3243 PWs) bands (ev): -15.7526 -15.7525 -2.8021 -2.7887 -1.0853 -1.0769 -0.9595 -0.9170 2.4167 2.4293 2.9291 2.9445 3.2842 3.3098 5.1829 5.2232 6.1167 6.2522 6.5960 6.6928 7.2536 7.3136 7.9400 7.9697 8.1053 8.2043 8.7276 8.7748 8.9285 9.0043 9.2897 9.5295 13.1813 13.2013 14.8568 14.8618 15.0744 15.0804 15.1249 15.1256 k = 0.3947 0.2456 0.8402 ( 3247 PWs) bands (ev): -15.7528 -15.7527 -2.8026 -2.7878 -1.0857 -1.0756 -0.9643 -0.9161 2.3907 2.4103 2.9322 2.9448 3.2993 3.3280 5.2355 5.2791 6.0953 6.2447 6.5840 6.6980 7.2332 7.2896 7.9321 7.9613 8.1020 8.2133 8.7173 8.7674 8.9210 8.9923 9.3099 9.5640 13.2359 13.2576 14.8108 14.8159 15.0461 15.0532 15.1326 15.1387 k = 0.4079 0.2538 0.8306 ( 3249 PWs) bands (ev): -15.7530 -15.7530 -2.8031 -2.7870 -1.0857 -1.0741 -0.9696 -0.9156 2.3644 2.3914 2.9376 2.9469 3.3136 3.3454 5.2892 5.3364 6.0737 6.2368 6.5708 6.7031 7.2134 7.2646 7.9231 7.9517 8.1006 8.2236 8.7059 8.7617 8.9184 8.9829 9.3290 9.5973 13.2862 13.3097 14.7542 14.7588 15.0199 15.0280 15.1394 15.1518 k = 0.4211 0.2620 0.8210 ( 3253 PWs) bands (ev): -15.7533 -15.7532 -2.8036 -2.7862 -1.0855 -1.0722 -0.9756 -0.9157 2.3380 2.3726 2.9453 2.9509 3.3270 3.3617 5.3429 5.3942 6.0522 6.2289 6.5568 6.7080 7.1946 7.2393 7.9132 7.9415 8.1012 8.2349 8.6929 8.7579 8.9212 8.9762 9.3473 9.6296 13.3305 13.3559 14.6888 14.6927 14.9967 15.0064 15.1394 15.1576 k = 0.4342 0.2702 0.8113 ( 3255 PWs) bands (ev): -15.7536 -15.7535 -2.8041 -2.7853 -1.0851 -1.0699 -0.9821 -0.9164 2.3118 2.3539 2.9555 2.9572 3.3394 3.3768 5.3954 5.4516 6.0312 6.2214 6.5420 6.7128 7.1771 7.2141 7.9026 7.9311 8.1035 8.2471 8.6781 8.7559 8.9293 8.9721 9.3653 9.6611 13.3671 13.3946 14.6170 14.6200 14.9753 14.9868 15.1292 15.1515 k = 0.4474 0.2784 0.8017 ( 3250 PWs) bands (ev): -15.7539 -15.7538 -2.8045 -2.7845 -1.0844 -1.0674 -0.9892 -0.9176 2.2859 2.3353 2.9657 2.9681 3.3506 3.3907 5.4454 5.5077 6.0110 6.2149 6.5271 6.7174 7.1610 7.1897 7.8917 7.9210 8.1076 8.2601 8.6617 8.7555 8.9425 8.9707 9.3834 9.6918 13.3948 13.4244 14.5404 14.5425 14.9540 14.9676 15.1079 15.1318 k = 0.4605 0.2866 0.7920 ( 3246 PWs) bands (ev): -15.7542 -15.7541 -2.8050 -2.7836 -1.0835 -1.0646 -0.9968 -0.9192 2.2603 2.3169 2.9766 2.9833 3.3605 3.4032 5.4916 5.5613 5.9921 6.2102 6.5123 6.7215 7.1465 7.1668 7.8807 7.9117 8.1132 8.2735 8.6440 8.7562 8.9602 8.9718 9.4023 9.7220 13.4122 13.4440 14.4606 14.4619 14.9315 14.9474 15.0776 15.1008 k = 0.4737 0.2948 0.7824 ( 3252 PWs) bands (ev): -15.7545 -15.7545 -2.8054 -2.7828 -1.0823 -1.0616 -1.0045 -0.9214 2.2352 2.2984 2.9900 3.0008 3.3692 3.4142 5.5325 5.6112 5.9754 6.2079 6.4984 6.7250 7.1335 7.1461 7.8697 7.9035 8.1201 8.2872 8.6254 8.7575 8.9758 8.9820 9.4227 9.7520 13.4185 13.4524 14.3786 14.3790 14.9071 14.9250 15.0421 15.0632 k = 0.4868 0.3030 0.7727 ( 3252 PWs) bands (ev): -15.7549 -15.7548 -2.8058 -2.7819 -1.0810 -1.0589 -1.0122 -0.9239 2.2106 2.2798 3.0059 3.0209 3.3765 3.4237 5.5669 5.6558 5.9620 6.2086 6.4862 6.7277 7.1222 7.1283 7.8591 7.8967 8.1284 8.3012 8.6062 8.7586 8.9829 9.0072 9.4451 9.7818 13.4129 13.4489 14.2948 14.2951 14.8806 14.8997 15.0054 15.0245 k = 0.5000 0.3112 0.7631 ( 3252 PWs) bands (ev): -15.7553 -15.7552 -2.8062 -2.7811 -1.0795 -1.0569 -1.0190 -0.9266 2.1864 2.2610 3.0242 3.0433 3.3824 3.4316 5.5937 5.6932 5.9533 6.2122 6.4766 6.7292 7.1125 7.1143 7.8489 7.8914 8.1377 8.3153 8.5868 8.7583 8.9936 9.0354 9.4702 9.8119 13.3954 13.4331 14.2097 14.2106 14.8530 14.8718 14.9700 14.9883 k = 0.5000 0.3112 0.7631 ( 3252 PWs) bands (ev): -15.7553 -15.7552 -2.8062 -2.7811 -1.0795 -1.0569 -1.0190 -0.9266 2.1864 2.2610 3.0242 3.0433 3.3824 3.4316 5.5937 5.6932 5.9533 6.2122 6.4766 6.7292 7.1125 7.1143 7.8489 7.8914 8.1377 8.3153 8.5868 8.7583 8.9936 9.0354 9.4702 9.8119 13.3954 13.4331 14.2097 14.2106 14.8530 14.8718 14.9700 14.9883 k = 0.5000 0.3112 0.7445 ( 3250 PWs) bands (ev): -15.7561 -15.7559 -2.8069 -2.7794 -1.0763 -1.0568 -1.0285 -0.9325 2.1399 2.2240 3.0633 3.0901 3.3932 3.4460 5.6369 5.7576 5.9426 6.2206 6.4626 6.7303 7.0906 7.0946 7.8288 7.8834 8.1588 8.3417 8.5496 8.7540 9.0252 9.0949 9.5236 9.8714 13.3488 13.3897 14.0438 14.0457 14.7966 14.8121 14.9053 14.9248 k = 0.5000 0.3112 0.7259 ( 3238 PWs) bands (ev): -15.7569 -15.7568 -2.8075 -2.7777 -1.0727 -1.0640 -1.0308 -0.9392 2.0932 2.1863 3.1047 3.1394 3.4054 3.4616 5.6777 5.8215 5.9329 6.2264 6.4511 6.7304 7.0658 7.0753 7.8073 7.8765 8.1847 8.3640 8.5140 8.7516 9.0685 9.1586 9.5811 9.9335 13.2999 13.3436 13.8762 13.8792 14.7341 14.7452 14.8445 14.8667 k = 0.5000 0.3112 0.7072 ( 3234 PWs) bands (ev): -15.7578 -15.7577 -2.8081 -2.7761 -1.0772 -1.0688 -1.0272 -0.9464 2.0468 2.1485 3.1480 3.1907 3.4189 3.4784 5.7153 5.8807 5.9272 6.2293 6.4425 6.7296 7.0405 7.0543 7.7845 7.8710 8.2143 8.3788 8.4824 8.7584 9.1201 9.2260 9.6426 9.9980 13.2489 13.2951 13.7077 13.7119 14.6666 14.6741 14.7875 14.8123 k = 0.5000 0.3112 0.6886 ( 3242 PWs) bands (ev): -15.7588 -15.7586 -2.8086 -2.7744 -1.0928 -1.0648 -1.0211 -0.9539 2.0012 2.1109 3.1929 3.2438 3.4339 3.4962 5.7491 5.9043 5.9554 6.2290 6.4368 6.7281 7.0153 7.0313 7.7606 7.8670 8.2439 8.3834 8.4602 8.7800 9.1781 9.2968 9.7078 10.0651 13.1958 13.2446 13.5391 13.5449 14.5964 14.6013 14.7330 14.7599 k = 0.5000 0.3112 0.6700 ( 3240 PWs) bands (ev): -15.7598 -15.7596 -2.8090 -2.7728 -1.1095 -1.0609 -1.0137 -0.9613 1.9566 2.0738 3.2389 3.2980 3.4502 3.5151 5.7786 5.8989 6.0099 6.2261 6.4334 6.7257 6.9907 7.0065 7.7359 7.8644 8.2641 8.3773 8.4579 8.8185 9.2411 9.3707 9.7766 10.1347 13.1402 13.1917 13.3715 13.3796 14.5252 14.5289 14.6799 14.7084 k = 0.5000 0.3112 0.6514 ( 3236 PWs) bands (ev): -15.7609 -15.7607 -2.8094 -2.7713 -1.1268 -1.0576 -1.0054 -0.9681 1.9135 2.0375 3.2854 3.3528 3.4678 3.5351 5.8037 5.8912 6.0626 6.2212 6.4315 6.7224 6.9677 6.9798 7.7105 7.8632 8.2647 8.3627 8.4868 8.8732 9.3085 9.4476 9.8488 10.2067 13.0790 13.1336 13.2086 13.2200 14.4542 14.4580 14.6275 14.6570 k = 0.5000 0.3112 0.6328 ( 3240 PWs) bands (ev): -15.7620 -15.7618 -2.8098 -2.7698 -1.1445 -1.0557 -0.9963 -0.9735 1.8719 2.0022 3.3319 3.4077 3.4869 3.5560 5.8244 5.8836 6.1107 6.2156 6.4301 6.7182 6.9471 6.9516 7.6849 7.8632 8.2483 8.3425 8.5447 8.9421 9.3797 9.5272 9.9242 10.2810 12.9930 13.0238 13.0859 13.0978 14.3840 14.3891 14.5754 14.6056 k = 0.5000 0.3112 0.6142 ( 3228 PWs) bands (ev): -15.7632 -15.7630 -2.8101 -2.7684 -1.1624 -1.0562 -0.9866 -0.9763 1.8322 1.9683 3.3774 3.4620 3.5076 3.5779 5.8407 5.8763 6.1529 6.2102 6.4281 6.7126 6.9224 6.9300 7.6593 7.8642 8.2238 8.3192 8.6229 9.0232 9.4543 9.6093 10.0027 10.3575 12.8548 12.8634 13.0054 13.0385 14.3152 14.3227 14.5236 14.5541 k = 0.5000 0.3112 0.5956 ( 3216 PWs) bands (ev): -15.7644 -15.7642 -2.8104 -2.7671 -1.1803 -1.0598 -0.9761 -0.9758 1.7945 1.9357 3.4211 3.5148 3.5302 3.6008 5.8527 5.8693 6.1888 6.2060 6.4249 6.7054 6.8928 6.9175 7.6341 7.8658 8.1969 8.2946 8.7160 9.1150 9.5321 9.6939 10.0841 10.4361 12.6981 12.7005 12.9454 12.9836 14.2479 14.2589 14.4721 14.5026 k = 0.5000 0.3112 0.5770 ( 3220 PWs) bands (ev): -15.7656 -15.7654 -2.8107 -2.7660 -1.1982 -1.0666 -0.9718 -0.9649 1.7588 1.9046 3.4618 3.5551 3.5652 3.6249 5.8608 5.8627 6.2038 6.2181 6.4200 6.6965 6.8637 6.9103 7.6097 7.8680 8.1700 8.2700 8.8211 9.2166 9.6128 9.7807 10.1679 10.5164 12.5388 12.5392 12.8904 12.9298 14.1821 14.1977 14.4208 14.4510 k = 0.5000 0.3112 0.5584 ( 3222 PWs) bands (ev): -15.7669 -15.7667 -2.8109 -2.7650 -1.2159 -1.0759 -0.9649 -0.9531 1.7253 1.8752 3.4987 3.5825 3.6116 3.6510 5.8564 5.8652 6.2042 6.2410 6.4133 6.6860 6.8358 6.9089 7.5864 7.8705 8.1444 8.2460 8.9363 9.3268 9.6962 9.8696 10.2541 10.5982 12.3791 12.3813 12.8377 12.8774 14.1178 14.1391 14.3700 14.3995 k = 0.5000 0.3112 0.5397 ( 3226 PWs) bands (ev): -15.7682 -15.7680 -2.8112 -2.7642 -1.2333 -1.0871 -0.9556 -0.9406 1.6941 1.8474 3.5312 3.6119 3.6512 3.6810 5.8503 5.8662 6.2073 6.2580 6.4051 6.6745 6.8100 6.9129 7.5647 7.8728 8.1210 8.2234 9.0605 9.4450 9.7822 9.9603 10.3422 10.6813 12.2219 12.2253 12.7871 12.8265 14.0548 14.0829 14.3197 14.3482 k = 0.5000 0.3112 0.5211 ( 3224 PWs) bands (ev): -15.7696 -15.7693 -2.8116 -2.7636 -1.2502 -1.0996 -0.9445 -0.9275 1.6651 1.8213 3.5599 3.6423 3.6828 3.7152 5.8444 5.8644 6.2129 6.2700 6.3962 6.6625 6.7869 6.9220 7.5448 7.8747 8.1006 8.2023 9.1923 9.5700 9.8707 10.0527 10.4319 10.7651 12.0677 12.0718 12.7386 12.7776 13.9931 14.0290 14.2701 14.2973 k = 0.5000 0.3112 0.5025 ( 3230 PWs) bands (ev): -15.7709 -15.7707 -2.8119 -2.7632 -1.2667 -1.1128 -0.9320 -0.9138 1.6383 1.7969 3.5856 3.6721 3.7098 3.7493 5.8385 5.8603 6.2200 6.2780 6.3882 6.6506 6.7667 6.9354 7.5273 7.8758 8.0838 8.1831 9.3306 9.7008 9.9619 10.1464 10.5228 10.8492 11.9170 11.9215 12.6925 12.7314 13.9324 13.9772 14.2215 14.2470 k = 0.5000 0.3112 0.4839 ( 3230 PWs) bands (ev): -15.7723 -15.7720 -2.8124 -2.7631 -1.2825 -1.1265 -0.9184 -0.8995 1.6138 1.7742 3.6090 3.6998 3.7349 3.7799 5.8326 5.8544 6.2265 6.2833 6.3841 6.6392 6.7497 6.9524 7.5125 7.8758 8.0711 8.1660 9.4742 9.8356 10.0561 10.2408 10.6144 10.9329 11.7706 11.7748 12.6490 12.6882 13.8726 13.9274 14.1740 14.1975 k = 0.5000 0.3112 0.4653 ( 3218 PWs) bands (ev): -15.7736 -15.7734 -2.8128 -2.7633 -1.2976 -1.1405 -0.9037 -0.8847 1.5914 1.7531 3.6303 3.7246 3.7588 3.8055 5.8266 5.8471 6.2295 6.2869 6.3874 6.6285 6.7359 6.9723 7.5009 7.8742 8.0631 8.1509 9.6220 9.9714 10.1550 10.3350 10.7060 11.0157 11.6297 11.6328 12.6086 12.6489 13.8137 13.8792 14.1278 14.1489 k = 0.5000 0.3112 0.4467 ( 3230 PWs) bands (ev): -15.7750 -15.7747 -2.8134 -2.7638 -1.3118 -1.1545 -0.8882 -0.8693 1.5712 1.7335 3.6494 3.7461 3.7811 3.8261 5.8205 5.8389 6.2268 6.2899 6.4012 6.6184 6.7250 6.9945 7.4930 7.8713 8.0599 8.1381 9.7726 10.1028 10.2619 10.4273 10.7966 11.0967 11.4965 11.4968 12.5716 12.6140 13.7555 13.8326 14.0831 14.1015 k = 0.5000 0.3112 0.4281 ( 3238 PWs) bands (ev): -15.7764 -15.7761 -2.8141 -2.7646 -1.3251 -1.1685 -0.8720 -0.8534 1.5530 1.7155 3.6655 3.7648 3.8003 3.8427 5.8144 5.8302 6.2187 6.2930 6.4255 6.6092 6.7169 7.0184 7.4896 7.8672 8.0615 8.1276 9.9242 10.2216 10.3823 10.5145 10.8845 11.1749 11.3699 11.3750 12.5386 12.5843 13.6981 13.7874 14.0402 14.0556 k = 0.5000 0.3112 0.4095 ( 3238 PWs) bands (ev): -15.7778 -15.7775 -2.8148 -2.7657 -1.3375 -1.1823 -0.8551 -0.8372 1.5367 1.6988 3.6778 3.7813 3.8135 3.8580 5.8082 5.8212 6.2071 6.2968 6.4585 6.6006 6.7119 7.0434 7.4915 7.8627 8.0674 8.1194 10.0744 10.3216 10.5180 10.5902 10.9650 11.2468 11.2593 11.2758 12.5101 12.5605 13.6417 13.7435 13.9993 14.0115 k = 0.5000 0.3112 0.3908 ( 3234 PWs) bands (ev): -15.7791 -15.7788 -2.8157 -2.7672 -1.3488 -1.1958 -0.8377 -0.8205 1.5224 1.6835 3.6849 3.7969 3.8177 3.8752 5.8020 5.8122 6.1940 6.3014 6.4974 6.5927 6.7105 7.0687 7.4997 7.8586 8.0772 8.1137 10.2183 10.4000 10.6429 10.6639 11.0175 11.1912 11.2030 11.3222 12.4866 12.5435 13.5867 13.7008 13.9605 13.9694 k = 0.5000 0.3112 0.3722 ( 3230 PWs) bands (ev): -15.7804 -15.7801 -2.8166 -2.7690 -1.3591 -1.2090 -0.8198 -0.8036 1.5098 1.6695 3.6859 3.8127 3.8128 3.8943 5.7959 5.8033 6.1809 6.3069 6.5384 6.5853 6.7145 7.0935 7.5152 7.8555 8.0904 8.1104 10.3434 10.4497 10.6654 10.8126 11.0060 11.1865 11.2140 11.3889 12.4691 12.5336 13.5337 13.6593 13.9241 13.9296 k = 0.5000 0.3112 0.3536 ( 3234 PWs) bands (ev): -15.7817 -15.7814 -2.8177 -2.7711 -1.3682 -1.2217 -0.8016 -0.7864 1.4990 1.6565 3.6805 3.8005 3.8291 3.9142 5.7899 5.7947 6.1688 6.3132 6.5760 6.5784 6.7281 7.1168 7.5390 7.8543 8.1067 8.1097 10.4117 10.4569 10.6913 10.9465 10.9985 11.2220 11.2878 11.4534 12.4582 12.5313 13.4835 13.6193 13.8902 13.8925 k = 0.5000 0.3112 0.3350 ( 3234 PWs) bands (ev): -15.7830 -15.7827 -2.8189 -2.7735 -1.3762 -1.2339 -0.7831 -0.7691 1.4897 1.6446 3.6691 3.7821 3.8464 3.9340 5.7841 5.7865 6.1582 6.3199 6.5719 6.6032 6.7565 7.1380 7.5718 7.8556 8.1116 8.1259 10.3861 10.4165 10.7727 10.9901 11.1070 11.2881 11.3786 11.5201 12.4549 12.5364 13.4371 13.5811 13.8582 13.8589 k = 0.5000 0.3112 0.3164 ( 3236 PWs) bands (ev): -15.7842 -15.7840 -2.8201 -2.7763 -1.3831 -1.2456 -0.7645 -0.7517 1.4819 1.6336 3.6525 3.7588 3.8641 3.9531 5.7785 5.7787 6.1496 6.3269 6.5658 6.6177 6.8006 7.1568 7.6136 7.8601 8.1161 8.1479 10.3056 10.3414 10.8845 11.0348 11.2246 11.3605 11.4852 11.5979 12.4603 12.5480 13.3957 13.5450 13.8271 13.8303 k = 0.5000 0.3112 0.2978 ( 3244 PWs) bands (ev): -15.7854 -15.7852 -2.8214 -2.7793 -1.3889 -1.2568 -0.7459 -0.7343 1.4755 1.6234 3.6314 3.7314 3.8821 3.9713 5.7714 5.7732 6.1432 6.3337 6.5599 6.6235 6.8551 7.1732 7.6643 7.8685 8.1233 8.1726 10.2054 10.2481 10.9967 11.0888 11.3222 11.4237 11.6081 11.6958 12.4757 12.5651 13.3607 13.5116 13.7992 13.8044 k = 0.5000 0.3112 0.2792 ( 3246 PWs) bands (ev): -15.7866 -15.7863 -2.8228 -2.7826 -1.3936 -1.2673 -0.7274 -0.7171 1.4705 1.6139 3.6070 3.7008 3.9001 3.9885 5.7645 5.7681 6.1391 6.3402 6.5544 6.6244 6.9143 7.1877 7.7229 7.8813 8.1333 8.2000 10.0980 10.1467 11.0956 11.1392 11.4054 11.4776 11.7403 11.8140 12.5027 12.5865 13.3334 13.4813 13.7746 13.7812 k = 0.5000 0.3112 0.2606 ( 3242 PWs) bands (ev): -15.7877 -15.7874 -2.8242 -2.7860 -1.3972 -1.2773 -0.7091 -0.7001 1.4667 1.6050 3.5801 3.6679 3.9177 4.0044 5.7582 5.7633 6.1373 6.3460 6.5491 6.6227 6.9746 7.2007 7.7883 7.8994 8.1463 8.2302 9.9883 10.0426 11.1704 11.1764 11.4843 11.5331 11.8715 11.9455 12.5435 12.6113 13.3146 13.4546 13.7532 13.7605 k = 0.5000 0.3112 0.2420 ( 3246 PWs) bands (ev): -15.7887 -15.7885 -2.8256 -2.7896 -1.3998 -1.2868 -0.6912 -0.6834 1.4640 1.5965 3.5515 3.6335 3.9349 4.0190 5.7523 5.7587 6.1379 6.3511 6.5440 6.6193 7.0332 7.2127 7.8593 7.9231 8.1623 8.2634 9.8788 9.9383 11.1951 11.2138 11.5654 11.6011 11.9924 12.0819 12.6007 12.6406 13.3050 13.4313 13.7349 13.7419 k = 0.5000 0.3112 0.2233 ( 3242 PWs) bands (ev): -15.7897 -15.7895 -2.8270 -2.7933 -1.4014 -1.2957 -0.6738 -0.6672 1.4624 1.5885 3.5221 3.5984 3.9514 4.0322 5.7470 5.7544 6.1407 6.3551 6.5393 6.6149 7.0881 7.2241 7.9345 7.9530 8.1815 8.2997 9.7706 9.8353 11.1950 11.2269 11.6505 11.6833 12.0963 12.2140 12.6765 12.6779 13.3047 13.4114 13.7191 13.7249 k = 0.5000 0.3112 0.2047 ( 3248 PWs) bands (ev): -15.7907 -15.7904 -2.8283 -2.7971 -1.4022 -1.3040 -0.6571 -0.6516 1.4618 1.5808 3.4926 3.5631 3.9673 4.0440 5.7422 5.7503 6.1457 6.3580 6.5350 6.6097 7.1380 7.2351 7.9891 8.0121 8.2042 8.3393 9.6645 9.7345 11.1782 11.2168 11.7386 11.7745 12.1806 12.3299 12.7312 12.7692 13.3136 13.3945 13.7049 13.7085 k = 0.5000 0.3112 0.1861 ( 3248 PWs) bands (ev): -15.7915 -15.7913 -2.8296 -2.8009 -1.4021 -1.3119 -0.6412 -0.6367 1.4621 1.5733 3.4636 3.5284 3.9823 4.0543 5.7379 5.7464 6.1527 6.3595 6.5311 6.6039 7.1818 7.2459 8.0310 8.0902 8.2311 8.3823 9.5611 9.6366 11.1480 11.1905 11.8278 11.8693 12.2477 12.4178 12.8092 12.8718 13.3327 13.3810 13.6911 13.6914 k = 0.5000 0.3112 0.1675 ( 3244 PWs) bands (ev): -15.7923 -15.7921 -2.8307 -2.8047 -1.4013 -1.3194 -0.6263 -0.6227 1.4633 1.5659 3.4359 3.4948 3.9965 4.0631 5.7340 5.7427 6.1615 6.3596 6.5278 6.5977 7.2190 7.2566 8.0780 8.1660 8.2636 8.4286 9.4607 9.5421 11.1077 11.1530 11.9163 11.9638 12.3026 12.4753 12.9100 12.9724 13.3647 13.3730 13.6718 13.6758 k = 0.5000 0.3112 0.1489 ( 3244 PWs) bands (ev): -15.7930 -15.7928 -2.8316 -2.8084 -1.3998 -1.3264 -0.6125 -0.6097 1.4653 1.5587 3.4100 3.4630 4.0098 4.0705 5.7307 5.7392 6.1720 6.3580 6.5253 6.5911 7.2498 7.2671 8.1287 8.2340 8.3053 8.4782 9.3636 9.4514 11.0603 11.1077 12.0019 12.0554 12.3505 12.5114 13.0164 13.0565 13.3769 13.4151 13.6486 13.6568 k = 0.5000 0.3112 0.1303 ( 3242 PWs) bands (ev): -15.7937 -15.7935 -2.8324 -2.8119 -1.3978 -1.3330 -0.5999 -0.5978 1.4681 1.5515 3.3864 3.4333 4.0222 4.0764 5.7279 5.7360 6.1839 6.3547 6.5236 6.5843 7.2745 7.2774 8.1819 8.2884 8.3602 8.5305 9.2702 9.3648 11.0091 11.0576 12.0828 12.1418 12.3954 12.5362 13.1019 13.1134 13.4075 13.4855 13.6228 13.6321 k = 0.5000 0.3112 0.1117 ( 3238 PWs) bands (ev): -15.7942 -15.7941 -2.8329 -2.8153 -1.3952 -1.3394 -0.5887 -0.5872 1.4715 1.5444 3.3656 3.4062 4.0335 4.0808 5.7256 5.7331 6.1970 6.3496 6.5229 6.5774 7.2872 7.2937 8.2359 8.3331 8.4224 8.5848 9.1807 9.2828 10.9571 11.0050 12.1570 12.2208 12.4399 12.5560 13.1437 13.1456 13.4778 13.5491 13.6015 13.6149 k = 0.5000 0.3112 0.0931 ( 3242 PWs) bands (ev): -15.7947 -15.7946 -2.8332 -2.8185 -1.3921 -1.3454 -0.5790 -0.5780 1.4756 1.5373 3.3478 3.3820 4.0438 4.0838 5.7238 5.7304 6.2111 6.3427 6.5232 6.5704 7.2966 7.3081 8.2895 8.3745 8.4830 8.6397 9.0955 9.2059 10.9073 10.9527 12.2229 12.2898 12.4851 12.5746 13.1552 13.1556 13.5365 13.5631 13.5773 13.6831 k = 0.5000 0.3112 0.0744 ( 3242 PWs) bands (ev): -15.7951 -15.7950 -2.8332 -2.8214 -1.3887 -1.3511 -0.5710 -0.5703 1.4802 1.5303 3.3336 3.3611 4.0531 4.0855 5.7225 5.7280 6.2257 6.3340 6.5246 6.5636 7.3052 7.3183 8.3411 8.4141 8.5378 8.6936 9.0154 9.1347 10.8627 10.9033 12.2794 12.3456 12.5302 12.5937 13.1506 13.1553 13.5044 13.5287 13.6743 13.7611 k = 0.5000 0.3112 0.0558 ( 3246 PWs) bands (ev): -15.7954 -15.7953 -2.8329 -2.8240 -1.3849 -1.3566 -0.5646 -0.5641 1.4854 1.5233 3.3230 3.3438 4.0612 4.0858 5.7216 5.7259 6.2408 6.3238 6.5269 6.5569 7.3129 7.3249 8.3893 8.4503 8.5860 8.7438 8.9420 9.0698 10.8261 10.8595 12.3264 12.3855 12.5727 12.6137 13.1413 13.1491 13.4736 13.4933 13.7626 13.8236 k = 0.5000 0.3112 0.0372 ( 3248 PWs) bands (ev): -15.7956 -15.7955 -2.8322 -2.8263 -1.3807 -1.3619 -0.5600 -0.5597 1.4909 1.5165 3.3163 3.3303 4.0683 4.0847 5.7212 5.7242 6.2559 6.3121 6.5302 6.5506 7.3194 7.3285 8.4318 8.4781 8.6300 8.7821 8.8831 9.0113 10.8000 10.8238 12.3638 12.4086 12.6087 12.6322 13.1330 13.1406 13.4491 13.4630 13.8322 13.8675 k = 0.5000 0.3112 0.0186 ( 3236 PWs) bands (ev): -15.7957 -15.7957 -2.8313 -2.8283 -1.3764 -1.3669 -0.5571 -0.5570 1.4969 1.5097 3.3137 3.3207 4.0742 4.0824 5.7213 5.7228 6.2709 6.2993 6.5343 6.5446 7.3245 7.3293 8.4657 8.4915 8.6749 8.7722 8.8760 8.9592 10.7862 10.7986 12.3918 12.4159 12.6342 12.6447 13.1283 13.1329 13.4343 13.4415 13.8784 13.8932 k = 0.5000 0.3112 0.0000 ( 3220 PWs) bands (ev): -15.7957 -15.7957 -2.8299 -2.8299 -1.3718 -1.3718 -0.5562 -0.5562 1.5032 1.5032 3.3151 3.3151 4.0789 4.0789 5.7219 5.7219 6.2854 6.2854 6.5392 6.5392 7.3279 7.3279 8.4869 8.4869 8.7240 8.7240 8.9128 8.9128 10.7857 10.7857 12.4097 12.4097 12.6463 12.6463 13.1283 13.1283 13.4315 13.4315 13.8983 13.8983 k = 0.0000 0.0000 0.9463 ( 3244 PWs) bands (ev): -15.7515 -15.7515 -2.7962 -2.7962 -1.0864 -1.0864 -0.9216 -0.9216 2.4869 2.4869 2.8006 2.8006 3.3506 3.3506 5.2978 5.2978 6.0819 6.0819 6.6502 6.6502 7.2246 7.2246 7.9528 7.9528 8.1162 8.1162 8.6484 8.6484 8.9799 8.9799 9.3489 9.3489 13.6524 13.6524 15.1010 15.1010 15.3444 15.3444 15.4375 15.4375 k = 0.0156 0.0097 0.9463 ( 3244 PWs) bands (ev): -15.7515 -15.7515 -2.7962 -2.7962 -1.0863 -1.0863 -0.9218 -0.9218 2.4877 2.4877 2.8016 2.8016 3.3493 3.3493 5.2927 5.2927 6.0851 6.0851 6.6503 6.6503 7.2265 7.2265 7.9535 7.9535 8.1164 8.1164 8.6496 8.6496 8.9809 8.9809 9.3478 9.3478 13.6418 13.6418 15.1002 15.1002 15.3442 15.3442 15.4325 15.4325 k = 0.0312 0.0194 0.9463 ( 3244 PWs) bands (ev): -15.7515 -15.7515 -2.7962 -2.7962 -1.0861 -1.0861 -0.9222 -0.9222 2.4899 2.4899 2.8049 2.8049 3.3455 3.3455 5.2778 5.2778 6.0940 6.0940 6.6504 6.6504 7.2319 7.2319 7.9555 7.9555 8.1169 8.1169 8.6533 8.6533 8.9838 8.9838 9.3443 9.3443 13.6107 13.6107 15.0979 15.0979 15.3434 15.3434 15.4179 15.4179 k = 0.0469 0.0292 0.9463 ( 3242 PWs) bands (ev): -15.7515 -15.7515 -2.7962 -2.7962 -1.0858 -1.0858 -0.9229 -0.9229 2.4936 2.4936 2.8102 2.8102 3.3392 3.3392 5.2544 5.2544 6.1078 6.1078 6.6505 6.6505 7.2406 7.2406 7.9586 7.9586 8.1179 8.1179 8.6594 8.6594 8.9885 8.9885 9.3385 9.3385 13.5618 13.5618 15.0938 15.0938 15.3418 15.3418 15.3956 15.3956 k = 0.0625 0.0389 0.9463 ( 3242 PWs) bands (ev): -15.7515 -15.7515 -2.7962 -2.7962 -1.0854 -1.0854 -0.9238 -0.9238 2.4986 2.4986 2.8176 2.8176 3.3305 3.3305 5.2242 5.2242 6.1248 6.1248 6.6507 6.6507 7.2524 7.2524 7.9625 7.9625 8.1195 8.1195 8.6680 8.6680 8.9950 8.9950 9.3305 9.3305 13.4985 13.4985 15.0878 15.0878 15.3380 15.3380 15.3688 15.3688 k = 0.0781 0.0486 0.9463 ( 3246 PWs) bands (ev): -15.7515 -15.7515 -2.7962 -2.7962 -1.0848 -1.0848 -0.9249 -0.9249 2.5048 2.5048 2.8270 2.8270 3.3195 3.3195 5.1892 5.1892 6.1437 6.1437 6.6509 6.6509 7.2668 7.2668 7.9666 7.9666 8.1219 8.1219 8.6790 8.6790 9.0031 9.0031 9.3204 9.3204 13.4248 13.4248 15.0799 15.0799 15.3224 15.3224 15.3493 15.3493 k = 0.0938 0.0583 0.9463 ( 3254 PWs) bands (ev): -15.7515 -15.7515 -2.7962 -2.7962 -1.0842 -1.0842 -0.9262 -0.9262 2.5119 2.5119 2.8382 2.8382 3.3066 3.3066 5.1513 5.1513 6.1632 6.1632 6.6511 6.6511 7.2833 7.2833 7.9706 7.9706 8.1252 8.1252 8.6924 8.6924 9.0126 9.0126 9.3084 9.3084 13.3444 13.3444 15.0702 15.0702 15.2907 15.2907 15.3436 15.3436 k = 0.1094 0.0681 0.9463 ( 3240 PWs) bands (ev): -15.7515 -15.7515 -2.7962 -2.7962 -1.0836 -1.0836 -0.9276 -0.9276 2.5196 2.5196 2.8511 2.8511 3.2918 3.2918 5.1121 5.1121 6.1821 6.1821 6.6514 6.6514 7.3011 7.3011 7.9740 7.9740 8.1295 8.1295 8.7080 8.7080 9.0230 9.0230 9.2947 9.2947 13.2609 13.2609 15.0593 15.0593 15.2553 15.2553 15.3410 15.3410 k = 0.1250 0.0778 0.9463 ( 3256 PWs) bands (ev): -15.7515 -15.7515 -2.7963 -2.7963 -1.0828 -1.0828 -0.9291 -0.9291 2.5278 2.5278 2.8655 2.8655 3.2755 3.2755 5.0732 5.0732 6.1999 6.1999 6.6516 6.6516 7.3197 7.3197 7.9765 7.9765 8.1347 8.1347 8.7257 8.7257 9.0340 9.0340 9.2796 9.2796 13.1775 13.1775 15.0475 15.0475 15.2203 15.2203 15.3389 15.3389 k = 0.1406 0.0875 0.9463 ( 3256 PWs) bands (ev): -15.7515 -15.7515 -2.7963 -2.7963 -1.0821 -1.0821 -0.9306 -0.9306 2.5361 2.5361 2.8811 2.8811 3.2579 3.2579 5.0358 5.0358 6.2160 6.2160 6.6519 6.6519 7.3382 7.3382 7.9779 7.9779 8.1406 8.1406 8.7451 8.7451 9.0450 9.0450 9.2636 9.2636 13.0971 13.0971 15.0355 15.0355 15.1872 15.1872 15.3371 15.3371 k = 0.1562 0.0972 0.9463 ( 3250 PWs) bands (ev): -15.7515 -15.7515 -2.7963 -2.7963 -1.0814 -1.0814 -0.9321 -0.9321 2.5441 2.5441 2.8976 2.8976 3.2396 3.2396 5.0011 5.0011 6.2301 6.2301 6.6521 6.6521 7.3561 7.3561 7.9784 7.9784 8.1469 8.1469 8.7658 8.7658 9.0554 9.0554 9.2474 9.2474 13.0220 13.0220 15.0237 15.0237 15.1571 15.1571 15.3355 15.3355 k = 0.1719 0.1070 0.9463 ( 3252 PWs) bands (ev): -15.7515 -15.7515 -2.7963 -2.7963 -1.0807 -1.0807 -0.9334 -0.9334 2.5516 2.5516 2.9145 2.9145 3.2211 3.2211 4.9701 4.9701 6.2420 6.2420 6.6523 6.6523 7.3725 7.3725 7.9781 7.9781 8.1532 8.1532 8.7870 8.7870 9.0641 9.0641 9.2317 9.2317 12.9546 12.9546 15.0127 15.0127 15.1308 15.1308 15.3340 15.3340 k = 0.1875 0.1167 0.9463 ( 3248 PWs) bands (ev): -15.7515 -15.7515 -2.7963 -2.7963 -1.0801 -1.0801 -0.9346 -0.9346 2.5582 2.5582 2.9312 2.9312 3.2029 3.2029 4.9436 4.9436 6.2518 6.2518 6.6524 6.6524 7.3869 7.3869 7.9773 7.9773 8.1589 8.1589 8.8078 8.8078 9.0705 9.0705 9.2176 9.2176 12.8966 12.8966 15.0029 15.0029 15.1087 15.1087 15.3328 15.3328 k = 0.2031 0.1264 0.9463 ( 3246 PWs) bands (ev): -15.7515 -15.7515 -2.7963 -2.7963 -1.0796 -1.0796 -0.9356 -0.9356 2.5637 2.5637 2.9468 2.9468 3.1862 3.1862 4.9223 4.9223 6.2593 6.2593 6.6526 6.6526 7.3987 7.3987 7.9762 7.9762 8.1638 8.1638 8.8270 8.8270 9.0739 9.0739 9.2062 9.2062 12.8498 12.8498 14.9948 14.9948 15.0912 15.0912 15.3317 15.3317 k = 0.2188 0.1361 0.9463 ( 3234 PWs) bands (ev): -15.7515 -15.7515 -2.7963 -2.7963 -1.0792 -1.0792 -0.9364 -0.9364 2.5678 2.5678 2.9598 2.9598 3.1723 3.1723 4.9067 4.9067 6.2647 6.2647 6.6527 6.6527 7.4074 7.4074 7.9753 7.9753 8.1675 8.1675 8.8429 8.8429 9.0745 9.0745 9.1983 9.1983 12.8153 12.8153 14.9887 14.9887 15.0786 15.0786 15.3310 15.3310 k = 0.2344 0.1459 0.9463 ( 3238 PWs) bands (ev): -15.7515 -15.7515 -2.7963 -2.7963 -1.0789 -1.0789 -0.9369 -0.9369 2.5703 2.5703 2.9688 2.9688 3.1628 3.1628 4.8971 4.8971 6.2679 6.2679 6.6527 6.6527 7.4129 7.4129 7.9746 7.9746 8.1698 8.1698 8.8537 8.8537 9.0737 9.0737 9.1938 9.1938 12.7943 12.7943 14.9850 14.9850 15.0709 15.0709 15.3305 15.3305 k = 0.2500 0.1556 0.9463 ( 3244 PWs) bands (ev): -15.7515 -15.7515 -2.7963 -2.7963 -1.0788 -1.0788 -0.9370 -0.9370 2.5712 2.5712 2.9720 2.9720 3.1595 3.1595 4.8939 4.8939 6.2690 6.2690 6.6528 6.6528 7.4147 7.4147 7.9743 7.9743 8.1706 8.1706 8.8576 8.8576 9.0731 9.0731 9.1923 9.1923 12.7872 12.7872 14.9839 14.9839 15.0683 15.0683 15.3304 15.3304 Writing output data file BaSi3Pt.save init_run : 3.58s CPU 13.69s WALL ( 1 calls) electrons : 596.11s CPU 603.21s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.38s CPU 1.48s WALL ( 1 calls) Called by electrons: c_bands : 596.08s CPU 602.77s WALL ( 1 calls) v_of_rho : 0.23s CPU 0.95s WALL ( 1 calls) v_h : 0.01s CPU 0.02s WALL ( 1 calls) v_xc : 0.22s CPU 0.57s WALL ( 1 calls) newd : 0.54s CPU 0.83s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.09s WALL ( 335 calls) cegterg : 559.70s CPU 563.77s WALL ( 838 calls) Called by sum_band: Called by *egterg: h_psi : 292.72s CPU 301.39s WALL ( 15091 calls) s_psi : 39.67s CPU 40.23s WALL ( 15091 calls) g_psi : 0.41s CPU 0.54s WALL ( 13918 calls) cdiaghg : 167.71s CPU 165.31s WALL ( 14253 calls) cegterg:over : 40.98s CPU 36.80s WALL ( 13918 calls) cegterg:upda : 5.31s CPU 8.75s WALL ( 13918 calls) cegterg:last : 5.67s CPU 6.65s WALL ( 2564 calls) Called by h_psi: h_psi:vloc : 222.76s CPU 229.85s WALL ( 15091 calls) h_psi:vnl : 69.77s CPU 70.94s WALL ( 15091 calls) add_vuspsi : 24.24s CPU 29.74s WALL ( 15091 calls) General routines calbec : 45.48s CPU 41.10s WALL ( 15091 calls) fft : 0.34s CPU 1.21s WALL ( 19 calls) ffts : 0.02s CPU 0.05s WALL ( 4 calls) fftw : 206.12s CPU 209.12s WALL ( 1208580 calls) interpolate : 0.04s CPU 0.07s WALL ( 4 calls) davcio : 0.06s CPU 1.40s WALL ( 670 calls) Parallel routines fft_scatter : 140.26s CPU 139.41s WALL ( 1208603 calls) PWSCF : 10m42.90s CPU 12m 4.23s WALL This run was terminated on: 1: 4:23 13Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=